smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(NC[C@@H](C)O)nc(NC[C@@H](C)O)[nH+]1 ZINC000002012958 359634935 /nfs/dbraw/zinc/63/49/35/359634935.db2.gz BHZVBRDUGMPYCC-RNFRBKRXSA-N 1 2 241.295 -0.235 20 0 BBADLO Cc1nc(NC[C@H](C)O)nc(NC[C@@H](C)O)[nH+]1 ZINC000002012963 359634747 /nfs/dbraw/zinc/63/47/47/359634747.db2.gz BHZVBRDUGMPYCC-KNVOCYPGSA-N 1 2 241.295 -0.235 20 0 BBADLO Cc1nc(NC[C@@H](C)O)nc(NC[C@H](C)O)[nH+]1 ZINC000002012963 359634742 /nfs/dbraw/zinc/63/47/42/359634742.db2.gz BHZVBRDUGMPYCC-KNVOCYPGSA-N 1 2 241.295 -0.235 20 0 BBADLO Cc1nc(NC[C@H](C)O)nc(NC[C@H](C)O)[nH+]1 ZINC000002012967 359635120 /nfs/dbraw/zinc/63/51/20/359635120.db2.gz BHZVBRDUGMPYCC-BQBZGAKWSA-N 1 2 241.295 -0.235 20 0 BBADLO Cc1nc(N(C)CCO)nc(N(C)CCO)[nH+]1 ZINC000002013083 350184772 /nfs/dbraw/zinc/18/47/72/350184772.db2.gz RMFDOYZIYFMRBZ-UHFFFAOYSA-N 1 2 241.295 -0.963 20 0 BBADLO Cn1ccc(C(=O)N2CC[NH+](C)CC2)n1 ZINC000002806707 347518936 /nfs/dbraw/zinc/51/89/36/347518936.db2.gz JZHLBTMDPUFOPY-UHFFFAOYSA-N 1 2 208.265 -0.192 20 0 BBADLO NC(=O)C[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000004712966 487919004 /nfs/dbraw/zinc/91/90/04/487919004.db2.gz HMIDUPBAMILJES-SECBINFHSA-N 1 2 247.254 -0.607 20 0 BBADLO CN(C)S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000005580429 346623474 /nfs/dbraw/zinc/62/34/74/346623474.db2.gz HAHYJDOUEKYWCO-UHFFFAOYSA-N 1 2 232.309 -0.331 20 0 BBADLO Cc1nc(NCCCO)nc(NCCCO)[nH+]1 ZINC000005783398 350201404 /nfs/dbraw/zinc/20/14/04/350201404.db2.gz GVKDGCGOKZNESN-UHFFFAOYSA-N 1 2 241.295 -0.231 20 0 BBADLO Cn1ncc2c1nc(N1CCOCC1)[nH+]c2N ZINC000005932638 351329576 /nfs/dbraw/zinc/32/95/76/351329576.db2.gz UGDYJMWLJXZZJI-UHFFFAOYSA-N 1 2 234.263 -0.218 20 0 BBADLO Cc1[nH+]c2ccccc2n1CC(=O)NCC(N)=O ZINC000007200701 383961574 /nfs/dbraw/zinc/96/15/74/383961574.db2.gz FKZIZNGPEWFMPB-UHFFFAOYSA-N 1 2 246.270 -0.054 20 0 BBADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000007336646 361586031 /nfs/dbraw/zinc/58/60/31/361586031.db2.gz FBHSLOOVTYCSPJ-RNJXMRFFSA-N 1 2 229.280 -0.321 20 0 BBADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000007336646 361586024 /nfs/dbraw/zinc/58/60/24/361586024.db2.gz FBHSLOOVTYCSPJ-RNJXMRFFSA-N 1 2 229.280 -0.321 20 0 BBADLO C[N@@H+](CC(=O)NC1CC1)[C@@H]1CCCCNC1=O ZINC000009975660 347061276 /nfs/dbraw/zinc/06/12/76/347061276.db2.gz DEPVYPFERPLWJE-SNVBAGLBSA-N 1 2 239.319 -0.135 20 0 BBADLO C[N@H+](CC(=O)NC1CC1)[C@@H]1CCCCNC1=O ZINC000009975660 347061273 /nfs/dbraw/zinc/06/12/73/347061273.db2.gz DEPVYPFERPLWJE-SNVBAGLBSA-N 1 2 239.319 -0.135 20 0 BBADLO C[N@@H+](CC(=O)NC1CC1)[C@H]1CCCCNC1=O ZINC000009975661 347061684 /nfs/dbraw/zinc/06/16/84/347061684.db2.gz DEPVYPFERPLWJE-JTQLQIEISA-N 1 2 239.319 -0.135 20 0 BBADLO C[N@H+](CC(=O)NC1CC1)[C@H]1CCCCNC1=O ZINC000009975661 347061679 /nfs/dbraw/zinc/06/16/79/347061679.db2.gz DEPVYPFERPLWJE-JTQLQIEISA-N 1 2 239.319 -0.135 20 0 BBADLO CC(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000010035602 188168541 /nfs/dbraw/zinc/16/85/41/188168541.db2.gz BHHNTDDGSQPORB-LLVKDONJSA-N 1 2 239.319 -0.181 20 0 BBADLO CC(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000010035603 187309061 /nfs/dbraw/zinc/30/90/61/187309061.db2.gz BHHNTDDGSQPORB-NSHDSACASA-N 1 2 239.319 -0.181 20 0 BBADLO Cn1ncc2c1nc[nH+]c2SCC(N)=O ZINC000011675790 367925704 /nfs/dbraw/zinc/92/57/04/367925704.db2.gz HXZCQBIADPDIHB-UHFFFAOYSA-N 1 2 223.261 -0.059 20 0 BBADLO Cn1ncc2c1nc[nH+]c2N1CCNC(=O)C1 ZINC000012485485 136216184 /nfs/dbraw/zinc/21/61/84/136216184.db2.gz HQYYVOOWTBUDLF-UHFFFAOYSA-N 1 2 232.247 -0.701 20 0 BBADLO Cc1nn(C)c(C)c1C[N@@H+](C)CC(N)=O ZINC000014192553 180335505 /nfs/dbraw/zinc/33/55/05/180335505.db2.gz UMFCJKRSYAXYQB-UHFFFAOYSA-N 1 2 210.281 -0.046 20 0 BBADLO Cc1nn(C)c(C)c1C[N@H+](C)CC(N)=O ZINC000014192553 180335503 /nfs/dbraw/zinc/33/55/03/180335503.db2.gz UMFCJKRSYAXYQB-UHFFFAOYSA-N 1 2 210.281 -0.046 20 0 BBADLO CC(=O)NCCNc1[nH+]cnc2c1cnn2C ZINC000014215027 384387724 /nfs/dbraw/zinc/38/77/24/384387724.db2.gz WHJZIMSRRGBPOG-UHFFFAOYSA-N 1 2 234.263 -0.089 20 0 BBADLO CNC(=O)CN(C)c1[nH+]cnc2c1cnn2C ZINC000014269253 367931034 /nfs/dbraw/zinc/93/10/34/367931034.db2.gz ZJZOZFOXQXSLDT-UHFFFAOYSA-N 1 2 234.263 -0.455 20 0 BBADLO COC(=O)CC[NH+]1CCS(=O)CC1 ZINC000014984289 136080494 /nfs/dbraw/zinc/08/04/94/136080494.db2.gz ARRXWWNHPMNRBG-UHFFFAOYSA-N 1 2 205.279 -0.386 20 0 BBADLO C[N@@H+](CC(N)=O)CC(=O)NCc1ccco1 ZINC000015305413 342894331 /nfs/dbraw/zinc/89/43/31/342894331.db2.gz OLXBOIMGIPNBEH-UHFFFAOYSA-N 1 2 225.248 -0.687 20 0 BBADLO C[N@H+](CC(N)=O)CC(=O)NCc1ccco1 ZINC000015305413 342894330 /nfs/dbraw/zinc/89/43/30/342894330.db2.gz OLXBOIMGIPNBEH-UHFFFAOYSA-N 1 2 225.248 -0.687 20 0 BBADLO CNC(=O)C[N@@H+](C)CC(=O)NCc1ccco1 ZINC000015305566 367939709 /nfs/dbraw/zinc/93/97/09/367939709.db2.gz SJRAJIAZABCASB-UHFFFAOYSA-N 1 2 239.275 -0.426 20 0 BBADLO CNC(=O)C[N@H+](C)CC(=O)NCc1ccco1 ZINC000015305566 367939701 /nfs/dbraw/zinc/93/97/01/367939701.db2.gz SJRAJIAZABCASB-UHFFFAOYSA-N 1 2 239.275 -0.426 20 0 BBADLO C[C@H](C(N)=O)[N@@H+](C)CC(=O)NCc1ccco1 ZINC000015305738 589394559 /nfs/dbraw/zinc/39/45/59/589394559.db2.gz YYZIKFRNIWECEQ-MRVPVSSYSA-N 1 2 239.275 -0.299 20 0 BBADLO C[C@H](C(N)=O)[N@H+](C)CC(=O)NCc1ccco1 ZINC000015305738 589394558 /nfs/dbraw/zinc/39/45/58/589394558.db2.gz YYZIKFRNIWECEQ-MRVPVSSYSA-N 1 2 239.275 -0.299 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+](C)CC(=O)NCc1ccco1 ZINC000015305741 589395101 /nfs/dbraw/zinc/39/51/01/589395101.db2.gz YYZIKFRNIWECEQ-QMMMGPOBSA-N 1 2 239.275 -0.299 20 0 BBADLO C[C@@H](C(N)=O)[N@H+](C)CC(=O)NCc1ccco1 ZINC000015305741 589395098 /nfs/dbraw/zinc/39/50/98/589395098.db2.gz YYZIKFRNIWECEQ-QMMMGPOBSA-N 1 2 239.275 -0.299 20 0 BBADLO C[NH+](CC(=O)NC1CC1)CC(=O)NC1CC1 ZINC000015367842 352726040 /nfs/dbraw/zinc/72/60/40/352726040.db2.gz AMLYXLUWHLUIAW-UHFFFAOYSA-N 1 2 225.292 -0.525 20 0 BBADLO CCNC(=O)C[N@@H+](C)CC(=O)NC1CC1 ZINC000015367853 170054348 /nfs/dbraw/zinc/05/43/48/170054348.db2.gz XNIFKYCOMZIELA-UHFFFAOYSA-N 1 2 213.281 -0.667 20 0 BBADLO CCNC(=O)C[N@H+](C)CC(=O)NC1CC1 ZINC000015367853 170054346 /nfs/dbraw/zinc/05/43/46/170054346.db2.gz XNIFKYCOMZIELA-UHFFFAOYSA-N 1 2 213.281 -0.667 20 0 BBADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC1CC1 ZINC000015368139 167046251 /nfs/dbraw/zinc/04/62/51/167046251.db2.gz XPOGVNKPYYIFIF-UHFFFAOYSA-N 1 2 227.308 -0.279 20 0 BBADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC1CC1 ZINC000015368139 167046250 /nfs/dbraw/zinc/04/62/50/167046250.db2.gz XPOGVNKPYYIFIF-UHFFFAOYSA-N 1 2 227.308 -0.279 20 0 BBADLO CNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000015368149 173267016 /nfs/dbraw/zinc/26/70/16/173267016.db2.gz FULYQLIZFLLCSQ-UHFFFAOYSA-N 1 2 201.270 -0.811 20 0 BBADLO CNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000015368149 173267015 /nfs/dbraw/zinc/26/70/15/173267015.db2.gz FULYQLIZFLLCSQ-UHFFFAOYSA-N 1 2 201.270 -0.811 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000015375635 347090713 /nfs/dbraw/zinc/09/07/13/347090713.db2.gz FBHSLOOVTYCSPJ-BWZBUEFSSA-N 1 2 229.280 -0.321 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000015375636 136219081 /nfs/dbraw/zinc/21/90/81/136219081.db2.gz FBHSLOOVTYCSPJ-GJMOJQLCSA-N 1 2 229.280 -0.321 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000015375636 136219080 /nfs/dbraw/zinc/21/90/80/136219080.db2.gz FBHSLOOVTYCSPJ-GJMOJQLCSA-N 1 2 229.280 -0.321 20 0 BBADLO CC[N@@H+](CC(N)=O)CC(=O)NC(C)(C)C ZINC000015442284 356461366 /nfs/dbraw/zinc/46/13/66/356461366.db2.gz KRTOPPUQTZJMIO-UHFFFAOYSA-N 1 2 215.297 -0.292 20 0 BBADLO CC[N@H+](CC(N)=O)CC(=O)NC(C)(C)C ZINC000015442284 356461362 /nfs/dbraw/zinc/46/13/62/356461362.db2.gz KRTOPPUQTZJMIO-UHFFFAOYSA-N 1 2 215.297 -0.292 20 0 BBADLO C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@@H](C)O1 ZINC000016332875 347170393 /nfs/dbraw/zinc/17/03/93/347170393.db2.gz RYSFFCQGXQNLED-RNFRBKRXSA-N 1 2 215.253 -0.710 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H](C)O1 ZINC000016332879 136274990 /nfs/dbraw/zinc/27/49/90/136274990.db2.gz RYSFFCQGXQNLED-KNVOCYPGSA-N 1 2 215.253 -0.710 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H](C)O1 ZINC000016332879 136274989 /nfs/dbraw/zinc/27/49/89/136274989.db2.gz RYSFFCQGXQNLED-KNVOCYPGSA-N 1 2 215.253 -0.710 20 0 BBADLO C[C@H]1C[NH+](CC(=O)NC(N)=O)C[C@H](C)O1 ZINC000016332881 367949530 /nfs/dbraw/zinc/94/95/30/367949530.db2.gz RYSFFCQGXQNLED-BQBZGAKWSA-N 1 2 215.253 -0.710 20 0 BBADLO COC(=O)CNC(=O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000016333449 344329427 /nfs/dbraw/zinc/32/94/27/344329427.db2.gz MNTUNHAODZQNQX-IUCAKERBSA-N 1 2 244.291 -0.615 20 0 BBADLO COC(=O)CNC(=O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000016333451 344329385 /nfs/dbraw/zinc/32/93/85/344329385.db2.gz MNTUNHAODZQNQX-RKDXNWHRSA-N 1 2 244.291 -0.615 20 0 BBADLO COC(=O)CNC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016333453 344329168 /nfs/dbraw/zinc/32/91/68/344329168.db2.gz MNTUNHAODZQNQX-DTORHVGOSA-N 1 2 244.291 -0.615 20 0 BBADLO COC(=O)CNC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016333453 344329167 /nfs/dbraw/zinc/32/91/67/344329167.db2.gz MNTUNHAODZQNQX-DTORHVGOSA-N 1 2 244.291 -0.615 20 0 BBADLO C[N@@H+](CC(=O)NC(N)=O)Cc1ccco1 ZINC000016380995 342910104 /nfs/dbraw/zinc/91/01/04/342910104.db2.gz USKRVSJYKPPEBC-UHFFFAOYSA-N 1 2 211.221 -0.094 20 0 BBADLO C[N@H+](CC(=O)NC(N)=O)Cc1ccco1 ZINC000016380995 342910102 /nfs/dbraw/zinc/91/01/02/342910102.db2.gz USKRVSJYKPPEBC-UHFFFAOYSA-N 1 2 211.221 -0.094 20 0 BBADLO C[C@H](C(N)=O)[NH+]1CCN(c2ncccn2)CC1 ZINC000016390739 132323292 /nfs/dbraw/zinc/32/32/92/132323292.db2.gz FLTBTGHREMYFHA-SECBINFHSA-N 1 2 235.291 -0.528 20 0 BBADLO C[C@@H](C(N)=O)[NH+]1CCN(c2ncccn2)CC1 ZINC000016390741 132323229 /nfs/dbraw/zinc/32/32/29/132323229.db2.gz FLTBTGHREMYFHA-VIFPVBQESA-N 1 2 235.291 -0.528 20 0 BBADLO CN(C)C(=O)C[NH+]1CCN(c2ncccn2)CC1 ZINC000016390755 132323354 /nfs/dbraw/zinc/32/33/54/132323354.db2.gz KQKZDXCOCNXYLA-UHFFFAOYSA-N 1 2 249.318 -0.313 20 0 BBADLO CNC(=O)C[NH+]1CCN(c2ncccn2)CC1 ZINC000016390780 342910518 /nfs/dbraw/zinc/91/05/18/342910518.db2.gz GSJSHLYJYOKFMD-UHFFFAOYSA-N 1 2 235.291 -0.655 20 0 BBADLO CC(C)[N@@H+](CC(N)=O)CC(=O)NC1CC1 ZINC000016419497 342910395 /nfs/dbraw/zinc/91/03/95/342910395.db2.gz FAOZUPDLBFVSFF-UHFFFAOYSA-N 1 2 213.281 -0.539 20 0 BBADLO CC(C)[N@H+](CC(N)=O)CC(=O)NC1CC1 ZINC000016419497 342910393 /nfs/dbraw/zinc/91/03/93/342910393.db2.gz FAOZUPDLBFVSFF-UHFFFAOYSA-N 1 2 213.281 -0.539 20 0 BBADLO CCNC(=O)C[N@@H+](CC(N)=O)C(C)C ZINC000016419499 170055494 /nfs/dbraw/zinc/05/54/94/170055494.db2.gz LHRHVPANEUYQJW-UHFFFAOYSA-N 1 2 201.270 -0.682 20 0 BBADLO CCNC(=O)C[N@H+](CC(N)=O)C(C)C ZINC000016419499 170055493 /nfs/dbraw/zinc/05/54/93/170055493.db2.gz LHRHVPANEUYQJW-UHFFFAOYSA-N 1 2 201.270 -0.682 20 0 BBADLO CC(C)[N@@H+](CC(N)=O)CC(=O)N1CCOCC1 ZINC000016419523 367952152 /nfs/dbraw/zinc/95/21/52/367952152.db2.gz JXNOJUFXRAAENS-UHFFFAOYSA-N 1 2 243.307 -0.959 20 0 BBADLO CC(C)[N@H+](CC(N)=O)CC(=O)N1CCOCC1 ZINC000016419523 367952145 /nfs/dbraw/zinc/95/21/45/367952145.db2.gz JXNOJUFXRAAENS-UHFFFAOYSA-N 1 2 243.307 -0.959 20 0 BBADLO CCNC(=O)NC(=O)C[N@@H+](CC(N)=O)C(C)C ZINC000016419672 170076107 /nfs/dbraw/zinc/07/61/07/170076107.db2.gz QBNUYDIUSKOMRT-UHFFFAOYSA-N 1 2 244.295 -0.972 20 0 BBADLO CCNC(=O)NC(=O)C[N@H+](CC(N)=O)C(C)C ZINC000016419672 170076105 /nfs/dbraw/zinc/07/61/05/170076105.db2.gz QBNUYDIUSKOMRT-UHFFFAOYSA-N 1 2 244.295 -0.972 20 0 BBADLO CC(C)NC(=O)C[N@@H+](CC(N)=O)C(C)C ZINC000016419688 167050465 /nfs/dbraw/zinc/05/04/65/167050465.db2.gz YWZGALBABBHXIS-UHFFFAOYSA-N 1 2 215.297 -0.293 20 0 BBADLO CC(C)NC(=O)C[N@H+](CC(N)=O)C(C)C ZINC000016419688 167050462 /nfs/dbraw/zinc/05/04/62/167050462.db2.gz YWZGALBABBHXIS-UHFFFAOYSA-N 1 2 215.297 -0.293 20 0 BBADLO CNC(=O)C[N@H+]1CCCN(C(C)=O)CC1 ZINC000016443815 367952666 /nfs/dbraw/zinc/95/26/66/367952666.db2.gz LVPMUQSNVRXBQE-UHFFFAOYSA-N 1 2 213.281 -0.713 20 0 BBADLO 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ZINC000022089508 178109998 /nfs/dbraw/zinc/10/99/98/178109998.db2.gz XSFOWJRAMISLEO-UHFFFAOYSA-N 1 2 241.276 -0.346 20 0 BBADLO CC[NH+]1CCN(S(=O)(=O)CC)CC1 ZINC000023379147 344552772 /nfs/dbraw/zinc/55/27/72/344552772.db2.gz PIEXHIRVFJUFMH-UHFFFAOYSA-N 1 2 206.311 -0.026 20 0 BBADLO C[NH+]1CCN(C(=O)c2cnccn2)CC1 ZINC000023379336 173074001 /nfs/dbraw/zinc/07/40/01/173074001.db2.gz AKRXLTSYAXGZIQ-UHFFFAOYSA-N 1 2 206.249 -0.136 20 0 BBADLO CNC(=O)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000025762162 343095068 /nfs/dbraw/zinc/09/50/68/343095068.db2.gz SSMBEUZIPOONRB-UHFFFAOYSA-N 1 2 248.330 -0.055 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+](C)Cc1cnn(C)c1 ZINC000025792118 173286581 /nfs/dbraw/zinc/28/65/81/173286581.db2.gz AUYMNSPJOBGKAD-UHFFFAOYSA-N 1 2 239.279 -0.693 20 0 BBADLO CNC(=O)NC(=O)C[N@H+](C)Cc1cnn(C)c1 ZINC000025792118 173286580 /nfs/dbraw/zinc/28/65/80/173286580.db2.gz AUYMNSPJOBGKAD-UHFFFAOYSA-N 1 2 239.279 -0.693 20 0 BBADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000025834652 353333758 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NPIBCWWMNQIBAK-UHFFFAOYSA-N 1 2 227.308 -0.161 20 0 BBADLO O=C(c1cccnc1)N1CC[NH+](CCO)CC1 ZINC000031946012 353008071 /nfs/dbraw/zinc/00/80/71/353008071.db2.gz CISRGHXMDXUPLM-UHFFFAOYSA-N 1 2 235.287 -0.168 20 0 BBADLO O=C(c1ccncc1)N1CC[NH+](CCO)CC1 ZINC000031946013 343226556 /nfs/dbraw/zinc/22/65/56/343226556.db2.gz DGWDZMORFNOIIB-UHFFFAOYSA-N 1 2 235.287 -0.168 20 0 BBADLO CC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000032024219 372136013 /nfs/dbraw/zinc/13/60/13/372136013.db2.gz MYAHHTQRYKTKCP-UHFFFAOYSA-N 1 2 213.281 -0.586 20 0 BBADLO CS(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000032144948 385135153 /nfs/dbraw/zinc/13/51/53/385135153.db2.gz MAOBAAGSFOMFTQ-UHFFFAOYSA-N 1 2 201.251 -0.342 20 0 BBADLO NC(=O)C[NH2+][C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000033921136 487713027 /nfs/dbraw/zinc/71/30/27/487713027.db2.gz HMIDUPBAMILJES-VIFPVBQESA-N 1 2 247.254 -0.607 20 0 BBADLO COCCOCCOCC[NH+]1CCOCC1 ZINC000034146779 712373293 /nfs/dbraw/zinc/37/32/93/712373293.db2.gz XIWCBHLZFGDJNF-UHFFFAOYSA-N 1 2 233.308 -0.002 20 0 BBADLO COC(=O)C[N@H+]1CC[C@H](C(=O)OC)C1 ZINC000034255616 350465705 /nfs/dbraw/zinc/46/57/05/350465705.db2.gz BFNDBRHGXQREBC-ZETCQYMHSA-N 1 2 201.222 -0.346 20 0 BBADLO COC(=O)C[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC000034255616 350465702 /nfs/dbraw/zinc/46/57/02/350465702.db2.gz BFNDBRHGXQREBC-ZETCQYMHSA-N 1 2 201.222 -0.346 20 0 BBADLO COC(=O)C[N@H+]1CC[C@@H](C(=O)OC)C1 ZINC000034255618 350465728 /nfs/dbraw/zinc/46/57/28/350465728.db2.gz BFNDBRHGXQREBC-SSDOTTSWSA-N 1 2 201.222 -0.346 20 0 BBADLO COC(=O)C[N@@H+]1CC[C@@H](C(=O)OC)C1 ZINC000034255618 350465725 /nfs/dbraw/zinc/46/57/25/350465725.db2.gz BFNDBRHGXQREBC-SSDOTTSWSA-N 1 2 201.222 -0.346 20 0 BBADLO CC[NH+]1CCN(S(=O)(=O)N(C)C)CC1 ZINC000034378850 346254764 /nfs/dbraw/zinc/25/47/64/346254764.db2.gz ADBMBEPADCFKKN-UHFFFAOYSA-N 1 2 221.326 -0.570 20 0 BBADLO C[NH+]1CCN(CC(=O)N2CCC(=O)CC2)CC1 ZINC000035038413 537871577 /nfs/dbraw/zinc/87/15/77/537871577.db2.gz MYFVYMALXSUUPY-UHFFFAOYSA-N 1 2 239.319 -0.575 20 0 BBADLO CNC(=O)C[NH2+]Cc1ccoc1C(=O)OC ZINC000035054748 173277583 /nfs/dbraw/zinc/27/75/83/173277583.db2.gz VYVBVNMEBZUPMP-UHFFFAOYSA-N 1 2 226.232 -0.098 20 0 BBADLO Cn1cccc1C(=O)N1CC[NH+](CCO)CC1 ZINC000035107256 343284434 /nfs/dbraw/zinc/28/44/34/343284434.db2.gz AJYTVUBJCYLOPM-UHFFFAOYSA-N 1 2 237.303 -0.225 20 0 BBADLO O=C(c1ccc[nH]1)N1CC[NH+](CCO)CC1 ZINC000035116035 343285197 /nfs/dbraw/zinc/28/51/97/343285197.db2.gz TVVYBDNNYTXHFL-UHFFFAOYSA-N 1 2 223.276 -0.235 20 0 BBADLO Cc1cc(C(=O)N2CC[NH+](CCO)CC2)on1 ZINC000035116051 358453110 /nfs/dbraw/zinc/45/31/10/358453110.db2.gz JOWQNDTXQCUOLM-UHFFFAOYSA-N 1 2 239.275 -0.267 20 0 BBADLO O=C(NCCCn1cc[nH+]c1)C1=NNC(=O)CC1 ZINC000035128263 358454121 /nfs/dbraw/zinc/45/41/21/358454121.db2.gz PXDJICRLQCOGMH-UHFFFAOYSA-N 1 2 249.274 -0.345 20 0 BBADLO Cn1ccnc1C[NH2+]CC(=O)NC1CC1 ZINC000035142806 342884054 /nfs/dbraw/zinc/88/40/54/342884054.db2.gz LMEOEFLDAHRDFX-UHFFFAOYSA-N 1 2 208.265 -0.212 20 0 BBADLO CCNC(=O)CNc1[nH+]cnc2c1cnn2C ZINC000035149771 170067407 /nfs/dbraw/zinc/06/74/07/170067407.db2.gz WUXDQVPHBNDKAN-UHFFFAOYSA-N 1 2 234.263 -0.089 20 0 BBADLO C[C@H](Nc1[nH+]cnc2c1cnn2C)C(N)=O ZINC000035149781 359650915 /nfs/dbraw/zinc/65/09/15/359650915.db2.gz OLEPAXVWTDPZJT-YFKPBYRVSA-N 1 2 220.236 -0.351 20 0 BBADLO C[C@@H](Nc1[nH+]cnc2c1cnn2C)C(N)=O ZINC000035149782 359650860 /nfs/dbraw/zinc/65/08/60/359650860.db2.gz OLEPAXVWTDPZJT-RXMQYKEDSA-N 1 2 220.236 -0.351 20 0 BBADLO O=C(Cc1cn2ccccc2[nH+]1)NCCO ZINC000035187718 182058546 /nfs/dbraw/zinc/05/85/46/182058546.db2.gz XJVANCBFVTYPBS-UHFFFAOYSA-N 1 2 219.244 -0.015 20 0 BBADLO O=C(c1ccccn1)N1CC[NH+](CCO)CC1 ZINC000035187724 343288622 /nfs/dbraw/zinc/28/86/22/343288622.db2.gz DXPYPGMEMZNCLA-UHFFFAOYSA-N 1 2 235.287 -0.168 20 0 BBADLO O=C(C1=COCCO1)N1CC[NH+](CCO)CC1 ZINC000035187727 181860036 /nfs/dbraw/zinc/86/00/36/181860036.db2.gz CILQJVMMKBMXGH-UHFFFAOYSA-N 1 2 242.275 -0.989 20 0 BBADLO C[C@@H]1C[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000035187830 487790802 /nfs/dbraw/zinc/79/08/02/487790802.db2.gz YYNAETPMXCHSOD-ZJUUUORDSA-N 1 2 212.293 -0.221 20 0 BBADLO C[C@H]1C[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000035187831 487790843 /nfs/dbraw/zinc/79/08/43/487790843.db2.gz YYNAETPMXCHSOD-UWVGGRQHSA-N 1 2 212.293 -0.221 20 0 BBADLO C[C@@H]1C[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000035187832 487790826 /nfs/dbraw/zinc/79/08/26/487790826.db2.gz YYNAETPMXCHSOD-NXEZZACHSA-N 1 2 212.293 -0.221 20 0 BBADLO C[C@H]1C[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000035187833 487790813 /nfs/dbraw/zinc/79/08/13/487790813.db2.gz YYNAETPMXCHSOD-VHSXEESVSA-N 1 2 212.293 -0.221 20 0 BBADLO O=C([C@H]1CCCO1)N1CC[NH+](CCO)CC1 ZINC000035187859 711478616 /nfs/dbraw/zinc/47/86/16/711478616.db2.gz DZAWQJMWKNFXLL-SNVBAGLBSA-N 1 2 228.292 -0.698 20 0 BBADLO CSCC(=O)N1CC[NH+](CCO)CC1 ZINC000035187868 384403347 /nfs/dbraw/zinc/40/33/47/384403347.db2.gz LBDIYNADWIQKSZ-UHFFFAOYSA-N 1 2 218.322 -0.514 20 0 BBADLO Cc1cc(C(=O)N2CC[NH+](CCO)CC2)no1 ZINC000035187869 355877934 /nfs/dbraw/zinc/87/79/34/355877934.db2.gz ZRXBDNATQHSBPQ-UHFFFAOYSA-N 1 2 239.275 -0.267 20 0 BBADLO Cn1cc(C(=O)N2CC[NH+](CCO)CC2)cn1 ZINC000035187912 343289067 /nfs/dbraw/zinc/28/90/67/343289067.db2.gz STQQBPBYIGWIGV-UHFFFAOYSA-N 1 2 238.291 -0.830 20 0 BBADLO O=C(Cn1cccn1)N1CC[NH+](CCO)CC1 ZINC000035187935 182068979 /nfs/dbraw/zinc/06/89/79/182068979.db2.gz NTBFZGHPBWWZID-UHFFFAOYSA-N 1 2 238.291 -0.980 20 0 BBADLO CCOCC(=O)N1CC[NH+](CCO)CC1 ZINC000035188079 170340636 /nfs/dbraw/zinc/34/06/36/170340636.db2.gz WCOJJMYOENAMRV-UHFFFAOYSA-N 1 2 216.281 -0.841 20 0 BBADLO CC(C)[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000035207061 386784736 /nfs/dbraw/zinc/78/47/36/386784736.db2.gz AATIQJCRSHCJLM-UHFFFAOYSA-N 1 2 207.299 -0.784 20 0 BBADLO COC(=O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC000035250743 342886589 /nfs/dbraw/zinc/88/65/89/342886589.db2.gz ZZSUEAVUEVCHFX-UHFFFAOYSA-N 1 2 225.248 -0.095 20 0 BBADLO COC(=O)[C@@H]([NH2+]CCN1CCNC1=O)C(C)C ZINC000035346687 357985036 /nfs/dbraw/zinc/98/50/36/357985036.db2.gz DXGONOOOGBDFAD-VIFPVBQESA-N 1 2 243.307 -0.201 20 0 BBADLO COC(=O)[C@H]([NH2+]CCN1CCNC1=O)C(C)C ZINC000035346688 387364948 /nfs/dbraw/zinc/36/49/48/387364948.db2.gz DXGONOOOGBDFAD-SECBINFHSA-N 1 2 243.307 -0.201 20 0 BBADLO O=C(c1cc[nH]n1)N1CC[NH+](CCO)CC1 ZINC000035609661 358006526 /nfs/dbraw/zinc/00/65/26/358006526.db2.gz BFAPFODDIOFHGD-UHFFFAOYSA-N 1 2 224.264 -0.840 20 0 BBADLO O=C(c1ccn[nH]1)N1CC[NH+](CCO)CC1 ZINC000035609661 358006523 /nfs/dbraw/zinc/00/65/23/358006523.db2.gz BFAPFODDIOFHGD-UHFFFAOYSA-N 1 2 224.264 -0.840 20 0 BBADLO CCCS(=O)(=O)N1CC[NH+](CCO)CC1 ZINC000035609694 169331492 /nfs/dbraw/zinc/33/14/92/169331492.db2.gz YASYCSFKAZCBTI-UHFFFAOYSA-N 1 2 236.337 -0.664 20 0 BBADLO O=C(c1cnsn1)N1CC[NH+](CCO)CC1 ZINC000035687480 343301996 /nfs/dbraw/zinc/30/19/96/343301996.db2.gz DHZZOPNACNLIGD-UHFFFAOYSA-N 1 2 242.304 -0.712 20 0 BBADLO Cn1ncc2c1nc[nH+]c2NCCC(N)=O ZINC000035732290 180823573 /nfs/dbraw/zinc/82/35/73/180823573.db2.gz QKMNFXASNUPBKC-UHFFFAOYSA-N 1 2 220.236 -0.349 20 0 BBADLO O=C(NCC[NH+]1CCOCC1)c1cn[nH]c1 ZINC000036165665 182186604 /nfs/dbraw/zinc/18/66/04/182186604.db2.gz RSNAXTBMOZBJFF-UHFFFAOYSA-N 1 2 224.264 -0.528 20 0 BBADLO O=C(c1cn[nH]c1)N1CC[NH+](CCO)CC1 ZINC000036166600 358460385 /nfs/dbraw/zinc/46/03/85/358460385.db2.gz VNNBOAOFYNEJMU-UHFFFAOYSA-N 1 2 224.264 -0.840 20 0 BBADLO O=C(NCC[NH+]1CCOCC1)NC1CC1 ZINC000036178865 342814521 /nfs/dbraw/zinc/81/45/21/342814521.db2.gz NPRPYDFIOGBENA-UHFFFAOYSA-N 1 2 213.281 -0.220 20 0 BBADLO COCCNC(=O)NCC[NH+]1CCOCC1 ZINC000036179212 398255614 /nfs/dbraw/zinc/25/56/14/398255614.db2.gz SMQAIFJHGHHARI-UHFFFAOYSA-N 1 2 231.296 -0.736 20 0 BBADLO COCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000036181278 387582572 /nfs/dbraw/zinc/58/25/72/387582572.db2.gz BIDZYHINTQIPIH-UHFFFAOYSA-N 1 2 222.310 -0.790 20 0 BBADLO CC[NH+]1CCN(S(=O)(=O)CCOC)CC1 ZINC000036181280 358460550 /nfs/dbraw/zinc/46/05/50/358460550.db2.gz PNZUSHSZQLSMNY-UHFFFAOYSA-N 1 2 236.337 -0.400 20 0 BBADLO CCOC(=O)CC[N@H+]1CCNC(=O)C1 ZINC000036667666 170206600 /nfs/dbraw/zinc/20/66/00/170206600.db2.gz INEWUVFHGUPLFK-UHFFFAOYSA-N 1 2 200.238 -0.629 20 0 BBADLO CCOC(=O)CC[N@@H+]1CCNC(=O)C1 ZINC000036667666 170206599 /nfs/dbraw/zinc/20/65/99/170206599.db2.gz INEWUVFHGUPLFK-UHFFFAOYSA-N 1 2 200.238 -0.629 20 0 BBADLO COC(=O)CNC(=O)CCn1cc[nH+]c1 ZINC000036816157 342911302 /nfs/dbraw/zinc/91/13/02/342911302.db2.gz BDQFCQIDTFBRIK-UHFFFAOYSA-N 1 2 211.221 -0.438 20 0 BBADLO c1cc(C[NH2+]CCN2CCOCC2)[nH]n1 ZINC000036900073 342912951 /nfs/dbraw/zinc/91/29/51/342912951.db2.gz VRVXQVPXRRMYAD-UHFFFAOYSA-N 1 2 210.281 -0.169 20 0 BBADLO Cn1nccc1C(=O)N1CC[NH+](CCO)CC1 ZINC000036903118 385589944 /nfs/dbraw/zinc/58/99/44/385589944.db2.gz FPSDHMKLTRHSAX-UHFFFAOYSA-N 1 2 238.291 -0.830 20 0 BBADLO COC(=O)CCC[N@H+]1CCNC(=O)C1 ZINC000037286315 342926522 /nfs/dbraw/zinc/92/65/22/342926522.db2.gz FHXNOYDCBBAKIX-UHFFFAOYSA-N 1 2 200.238 -0.629 20 0 BBADLO COC(=O)CCC[N@@H+]1CCNC(=O)C1 ZINC000037286315 342926519 /nfs/dbraw/zinc/92/65/19/342926519.db2.gz FHXNOYDCBBAKIX-UHFFFAOYSA-N 1 2 200.238 -0.629 20 0 BBADLO CCOC(=O)CNC(=O)CCn1cc[nH+]c1 ZINC000037472782 170222432 /nfs/dbraw/zinc/22/24/32/170222432.db2.gz NIYVRHLTWOFDFC-UHFFFAOYSA-N 1 2 225.248 -0.048 20 0 BBADLO C[N@@H+](CCC(=O)[O-])CC(=O)N1CC[NH+](C)CC1 ZINC000037932924 173067562 /nfs/dbraw/zinc/06/75/62/173067562.db2.gz BAERXUKXNUQJNS-UHFFFAOYSA-N 1 2 243.307 -0.833 20 0 BBADLO C[N@H+](CCC(=O)[O-])CC(=O)N1CC[NH+](C)CC1 ZINC000037932924 173067559 /nfs/dbraw/zinc/06/75/59/173067559.db2.gz BAERXUKXNUQJNS-UHFFFAOYSA-N 1 2 243.307 -0.833 20 0 BBADLO Cn1cnnc1C[NH2+][C@H]1CC(=O)N(C2CC2)C1=O ZINC000038008002 358103212 /nfs/dbraw/zinc/10/32/12/358103212.db2.gz LFVGLOIDSYXPIR-QMMMGPOBSA-N 1 2 249.274 -0.805 20 0 BBADLO NC(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000038263879 385616796 /nfs/dbraw/zinc/61/67/96/385616796.db2.gz RWLROGXKYPLARY-UHFFFAOYSA-N 1 2 235.287 -0.001 20 0 BBADLO C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000038415373 372583205 /nfs/dbraw/zinc/58/32/05/372583205.db2.gz FBHSLOOVTYCSPJ-PRJMDXOYSA-N 1 2 229.280 -0.321 20 0 BBADLO C[NH+]1CCN(C(=O)C(=O)Nc2cccnc2)CC1 ZINC000038719748 349339638 /nfs/dbraw/zinc/33/96/38/349339638.db2.gz FWOBYVFGPSCHMV-UHFFFAOYSA-N 1 2 248.286 -0.206 20 0 BBADLO CCOC(=O)N1CC[NH+](C[C@H](O)CO)CC1 ZINC000039020009 170240329 /nfs/dbraw/zinc/24/03/29/170240329.db2.gz FYEZWYBNCLRUMV-VIFPVBQESA-N 1 2 232.280 -0.886 20 0 BBADLO CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)OC ZINC000039100628 342957456 /nfs/dbraw/zinc/95/74/56/342957456.db2.gz CYRDWKXXVQNFKN-ZETCQYMHSA-N 1 2 200.238 -0.630 20 0 BBADLO CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)OC ZINC000039100628 342957455 /nfs/dbraw/zinc/95/74/55/342957455.db2.gz CYRDWKXXVQNFKN-ZETCQYMHSA-N 1 2 200.238 -0.630 20 0 BBADLO CC[N@H+]1CCNC(=O)[C@H]1CC(=O)OC ZINC000039100629 342957421 /nfs/dbraw/zinc/95/74/21/342957421.db2.gz CYRDWKXXVQNFKN-SSDOTTSWSA-N 1 2 200.238 -0.630 20 0 BBADLO CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)OC ZINC000039100629 342957420 /nfs/dbraw/zinc/95/74/20/342957420.db2.gz CYRDWKXXVQNFKN-SSDOTTSWSA-N 1 2 200.238 -0.630 20 0 BBADLO COC(=O)[C@@H]([NH2+]CCOCCO)C(C)C ZINC000040228939 355798189 /nfs/dbraw/zinc/79/81/89/355798189.db2.gz PMIRDOMOHRRZIV-VIFPVBQESA-N 1 2 219.281 -0.218 20 0 BBADLO COC(=O)[C@H]([NH2+]CCOCCO)C(C)C ZINC000040228940 355798221 /nfs/dbraw/zinc/79/82/21/355798221.db2.gz PMIRDOMOHRRZIV-SECBINFHSA-N 1 2 219.281 -0.218 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cn[nH]c1 ZINC000040445141 322832351 /nfs/dbraw/zinc/83/23/51/322832351.db2.gz MIHQDIBGFMJLCB-VIFPVBQESA-N 1 2 238.291 -0.140 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cn[nH]c1 ZINC000040445142 384569323 /nfs/dbraw/zinc/56/93/23/384569323.db2.gz MIHQDIBGFMJLCB-SECBINFHSA-N 1 2 238.291 -0.140 20 0 BBADLO CS(=O)(=O)NCC[NH2+]Cc1cscn1 ZINC000040504119 398201556 /nfs/dbraw/zinc/20/15/56/398201556.db2.gz TUMSXISIWBTQDP-UHFFFAOYSA-N 1 2 235.334 -0.218 20 0 BBADLO Cc1cc(N2CC[NH+](CC(=O)[O-])CC2)nc[nH+]1 ZINC000040726773 132296713 /nfs/dbraw/zinc/29/67/13/132296713.db2.gz DTMRSEDIISXTME-UHFFFAOYSA-N 1 2 236.275 -0.008 20 0 BBADLO Cc1cc(NCCNS(C)(=O)=O)nc[nH+]1 ZINC000040727211 178161605 /nfs/dbraw/zinc/16/16/05/178161605.db2.gz ISOKZJFBZNJHDU-UHFFFAOYSA-N 1 2 230.293 -0.254 20 0 BBADLO Cc1cc(NCCS(N)(=O)=O)nc[nH+]1 ZINC000040727213 178162150 /nfs/dbraw/zinc/16/21/50/178162150.db2.gz LDIORAYTGLPWLU-UHFFFAOYSA-N 1 2 216.266 -0.515 20 0 BBADLO CCc1cc(NCCS(N)(=O)=O)nc[nH+]1 ZINC000040765126 350394998 /nfs/dbraw/zinc/39/49/98/350394998.db2.gz SZKDJJOOTKXJRX-UHFFFAOYSA-N 1 2 230.293 -0.261 20 0 BBADLO O=S1(=O)CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000040878559 410893881 /nfs/dbraw/zinc/89/38/81/410893881.db2.gz ANLWCBFTIDWVMZ-UHFFFAOYSA-N 1 2 242.300 -0.191 20 0 BBADLO COC(=O)CCNC(=O)CCn1cc[nH+]c1 ZINC000041041027 344414682 /nfs/dbraw/zinc/41/46/82/344414682.db2.gz JHKPERFIBBDOJK-UHFFFAOYSA-N 1 2 225.248 -0.048 20 0 BBADLO O=C(CCCCO)NCC[NH+]1CCOCC1 ZINC000041256159 538975113 /nfs/dbraw/zinc/97/51/13/538975113.db2.gz 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/nfs/dbraw/zinc/04/63/24/362046324.db2.gz GXCWDYASXZYXHB-UHFFFAOYSA-N 1 2 229.324 -0.079 20 0 BBADLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCOCC1 ZINC000043304630 342793169 /nfs/dbraw/zinc/79/31/69/342793169.db2.gz JSFMJCQSNATILF-JTQLQIEISA-N 1 2 228.292 -0.434 20 0 BBADLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCOCC1 ZINC000043304632 342793079 /nfs/dbraw/zinc/79/30/79/342793079.db2.gz JSFMJCQSNATILF-SNVBAGLBSA-N 1 2 228.292 -0.434 20 0 BBADLO C[C@@H](CO)NC(=O)NCCn1cc[nH+]c1 ZINC000043310751 352631611 /nfs/dbraw/zinc/63/16/11/352631611.db2.gz NJKLONYGWBFLBM-QMMMGPOBSA-N 1 2 212.253 -0.437 20 0 BBADLO C[C@H](CO)NC(=O)NCCn1cc[nH+]c1 ZINC000043310752 358536652 /nfs/dbraw/zinc/53/66/52/358536652.db2.gz NJKLONYGWBFLBM-MRVPVSSYSA-N 1 2 212.253 -0.437 20 0 BBADLO CCN(CCO)C(=O)NCCn1cc[nH+]c1 ZINC000043311630 386698641 /nfs/dbraw/zinc/69/86/41/386698641.db2.gz RYIGHAIDBHGEOW-UHFFFAOYSA-N 1 2 226.280 -0.093 20 0 BBADLO CCOC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)COC ZINC000043638841 170246771 /nfs/dbraw/zinc/24/67/71/170246771.db2.gz GUKGFLFQZFEATJ-BDAKNGLRSA-N 1 2 219.281 -0.123 20 0 BBADLO CCOC(=O)[C@@H](C)[N@H+](C)C[C@H](O)COC ZINC000043638841 170246770 /nfs/dbraw/zinc/24/67/70/170246770.db2.gz GUKGFLFQZFEATJ-BDAKNGLRSA-N 1 2 219.281 -0.123 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@H](O)COC ZINC000043638842 170265803 /nfs/dbraw/zinc/26/58/03/170265803.db2.gz GUKGFLFQZFEATJ-IUCAKERBSA-N 1 2 219.281 -0.123 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@H](O)COC ZINC000043638842 170265802 /nfs/dbraw/zinc/26/58/02/170265802.db2.gz GUKGFLFQZFEATJ-IUCAKERBSA-N 1 2 219.281 -0.123 20 0 BBADLO COC[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)OC ZINC000043640939 385170363 /nfs/dbraw/zinc/17/03/63/385170363.db2.gz GKCMJBOKLGRYSP-YUMQZZPRSA-N 1 2 205.254 -0.513 20 0 BBADLO COC[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)OC ZINC000043640939 385170357 /nfs/dbraw/zinc/17/03/57/385170357.db2.gz GKCMJBOKLGRYSP-YUMQZZPRSA-N 1 2 205.254 -0.513 20 0 BBADLO COC[C@@H](O)C[N@@H+](C)[C@H](C)C(=O)OC ZINC000043640941 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/nfs/dbraw/zinc/89/15/99/639891599.db2.gz RFZJHVVYTYQGOX-UHFFFAOYSA-N 1 2 244.364 -0.756 20 0 BBADLO C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000044254036 640120998 /nfs/dbraw/zinc/12/09/98/640120998.db2.gz FQTFNCLQECZWNL-HTQZYQBOSA-N 1 2 213.237 -0.574 20 0 BBADLO CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000044255170 640121246 /nfs/dbraw/zinc/12/12/46/640121246.db2.gz AHRZHPBTCVPHSQ-RKDXNWHRSA-N 1 2 227.264 -0.184 20 0 BBADLO CNC(=O)CCNc1[nH+]cnc2c1cnn2C ZINC000044349376 173262047 /nfs/dbraw/zinc/26/20/47/173262047.db2.gz RPJUPJWGWFZTAN-UHFFFAOYSA-N 1 2 234.263 -0.089 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccn[nH]1 ZINC000044535137 398276025 /nfs/dbraw/zinc/27/60/25/398276025.db2.gz KIARRWNZVLQCLX-VIFPVBQESA-N 1 2 238.291 -0.140 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccn[nH]1 ZINC000044535139 368422012 /nfs/dbraw/zinc/42/20/12/368422012.db2.gz KIARRWNZVLQCLX-SECBINFHSA-N 1 2 238.291 -0.140 20 0 BBADLO O=C(c1ccon1)N1CC[NH+](CCO)CC1 ZINC000044586888 344543926 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LWKZKWMYCFAWJR-UHFFFAOYSA-N 1 2 231.223 -0.512 20 0 BBADLO Cc1cc(C[NH2+]CC(=O)N2CCOCC2)on1 ZINC000044991793 411142960 /nfs/dbraw/zinc/14/29/60/411142960.db2.gz IWMLAMWKVLJFIY-UHFFFAOYSA-N 1 2 239.275 -0.069 20 0 BBADLO Cc1cc(NCCCS(N)(=O)=O)nc[nH+]1 ZINC000045084043 178160414 /nfs/dbraw/zinc/16/04/14/178160414.db2.gz UMFWUSXPIIJPNT-UHFFFAOYSA-N 1 2 230.293 -0.124 20 0 BBADLO NC(=O)C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000045096495 181230808 /nfs/dbraw/zinc/23/08/08/181230808.db2.gz VIKHIBKHVNALTQ-MRVPVSSYSA-N 1 2 211.265 -0.785 20 0 BBADLO NC(=O)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000045096495 181230805 /nfs/dbraw/zinc/23/08/05/181230805.db2.gz VIKHIBKHVNALTQ-MRVPVSSYSA-N 1 2 211.265 -0.785 20 0 BBADLO NC(=O)C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000045096496 181231869 /nfs/dbraw/zinc/23/18/69/181231869.db2.gz VIKHIBKHVNALTQ-QMMMGPOBSA-N 1 2 211.265 -0.785 20 0 BBADLO NC(=O)C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000045096496 181231866 /nfs/dbraw/zinc/23/18/66/181231866.db2.gz 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/nfs/dbraw/zinc/43/10/95/368431095.db2.gz XOWSXXVVXFICCM-SFYZADRCSA-N 1 2 229.280 -0.449 20 0 BBADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000045667642 358562925 /nfs/dbraw/zinc/56/29/25/358562925.db2.gz BUZGXKRIJAQWJP-RKDXNWHRSA-N 1 2 243.307 -0.059 20 0 BBADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000045667642 358562922 /nfs/dbraw/zinc/56/29/22/358562922.db2.gz BUZGXKRIJAQWJP-RKDXNWHRSA-N 1 2 243.307 -0.059 20 0 BBADLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000045667644 368430336 /nfs/dbraw/zinc/43/03/36/368430336.db2.gz BUZGXKRIJAQWJP-BDAKNGLRSA-N 1 2 243.307 -0.059 20 0 BBADLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000045667644 368430330 /nfs/dbraw/zinc/43/03/30/368430330.db2.gz BUZGXKRIJAQWJP-BDAKNGLRSA-N 1 2 243.307 -0.059 20 0 BBADLO CC[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)CCO1 ZINC000045751992 368431172 /nfs/dbraw/zinc/43/11/72/368431172.db2.gz YCSUKMUCINIOBR-LLVKDONJSA-N 1 2 242.319 -0.044 20 0 BBADLO CC[C@@H]1C[N@H+](CC(=O)N2CCOCC2)CCO1 ZINC000045751992 368431167 /nfs/dbraw/zinc/43/11/67/368431167.db2.gz YCSUKMUCINIOBR-LLVKDONJSA-N 1 2 242.319 -0.044 20 0 BBADLO CC[C@H]1C[N@@H+](CC(=O)N2CCOCC2)CCO1 ZINC000045751993 368430150 /nfs/dbraw/zinc/43/01/50/368430150.db2.gz YCSUKMUCINIOBR-NSHDSACASA-N 1 2 242.319 -0.044 20 0 BBADLO CC[C@H]1C[N@H+](CC(=O)N2CCOCC2)CCO1 ZINC000045751993 368430144 /nfs/dbraw/zinc/43/01/44/368430144.db2.gz YCSUKMUCINIOBR-NSHDSACASA-N 1 2 242.319 -0.044 20 0 BBADLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC)CCO1 ZINC000045752210 171094427 /nfs/dbraw/zinc/09/44/27/171094427.db2.gz BEBPJLXCPXNAGW-DTWKUNHWSA-N 1 2 243.307 -0.059 20 0 BBADLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)CCO1 ZINC000045752210 171094425 /nfs/dbraw/zinc/09/44/25/171094425.db2.gz BEBPJLXCPXNAGW-DTWKUNHWSA-N 1 2 243.307 -0.059 20 0 BBADLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC)CCO1 ZINC000045752211 344578109 /nfs/dbraw/zinc/57/81/09/344578109.db2.gz BEBPJLXCPXNAGW-IUCAKERBSA-N 1 2 243.307 -0.059 20 0 BBADLO 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C[C@H](Cn1cc[nH+]c1)NC(=O)NCCO ZINC000049153621 353161837 /nfs/dbraw/zinc/16/18/37/353161837.db2.gz DUMZSBSPZBCZRP-MRVPVSSYSA-N 1 2 212.253 -0.437 20 0 BBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCCO ZINC000049153654 343593736 /nfs/dbraw/zinc/59/37/36/343593736.db2.gz QCGPBFGVCPROOQ-VIFPVBQESA-N 1 2 226.280 -0.047 20 0 BBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCCCO ZINC000049153657 343593768 /nfs/dbraw/zinc/59/37/68/343593768.db2.gz QCGPBFGVCPROOQ-SECBINFHSA-N 1 2 226.280 -0.047 20 0 BBADLO C[C@H](O)CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000049153757 343593887 /nfs/dbraw/zinc/59/38/87/343593887.db2.gz UJIQBGQBMDKXIG-IUCAKERBSA-N 1 2 226.280 -0.048 20 0 BBADLO C[C@@H](O)CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000049153760 323159043 /nfs/dbraw/zinc/15/90/43/323159043.db2.gz UJIQBGQBMDKXIG-DTWKUNHWSA-N 1 2 226.280 -0.048 20 0 BBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H](C)O ZINC000049153762 343593763 /nfs/dbraw/zinc/59/37/63/343593763.db2.gz UJIQBGQBMDKXIG-BDAKNGLRSA-N 1 2 226.280 -0.048 20 0 BBADLO 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CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)NCC1CC1 ZINC000049238539 386603821 /nfs/dbraw/zinc/60/38/21/386603821.db2.gz ZDQFFTXIVQUYDR-SNVBAGLBSA-N 1 2 239.319 -0.277 20 0 BBADLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)NCC(C)C ZINC000049238645 173307543 /nfs/dbraw/zinc/30/75/43/173307543.db2.gz VEXSJFJVSIVESU-SNVBAGLBSA-N 1 2 241.335 -0.031 20 0 BBADLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)NCC(C)C ZINC000049238645 173307542 /nfs/dbraw/zinc/30/75/42/173307542.db2.gz VEXSJFJVSIVESU-SNVBAGLBSA-N 1 2 241.335 -0.031 20 0 BBADLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)NCC(C)C ZINC000049238648 173298502 /nfs/dbraw/zinc/29/85/02/173298502.db2.gz VEXSJFJVSIVESU-JTQLQIEISA-N 1 2 241.335 -0.031 20 0 BBADLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)NCC(C)C ZINC000049238648 173298501 /nfs/dbraw/zinc/29/85/01/173298501.db2.gz VEXSJFJVSIVESU-JTQLQIEISA-N 1 2 241.335 -0.031 20 0 BBADLO NC(=O)C[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000049320731 132355814 /nfs/dbraw/zinc/35/58/14/132355814.db2.gz FXXQDKCOUMTLRK-UHFFFAOYSA-N 1 2 238.266 -0.172 20 0 BBADLO C[N@@H+](CC(N)=O)Cc1cccc(C(N)=O)c1 ZINC000049333565 358683251 /nfs/dbraw/zinc/68/32/51/358683251.db2.gz BMQBICNDJSKWLT-UHFFFAOYSA-N 1 2 221.260 -0.297 20 0 BBADLO C[N@H+](CC(N)=O)Cc1cccc(C(N)=O)c1 ZINC000049333565 358683249 /nfs/dbraw/zinc/68/32/49/358683249.db2.gz BMQBICNDJSKWLT-UHFFFAOYSA-N 1 2 221.260 -0.297 20 0 BBADLO NC(=O)C[N@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC000049348807 643616747 /nfs/dbraw/zinc/61/67/47/643616747.db2.gz SQFVLIGHQJUWDY-UHFFFAOYSA-N 1 2 239.319 -0.194 20 0 BBADLO NC(=O)C[N@@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC000049348807 643616743 /nfs/dbraw/zinc/61/67/43/643616743.db2.gz SQFVLIGHQJUWDY-UHFFFAOYSA-N 1 2 239.319 -0.194 20 0 BBADLO C[C@H](O)CNC(=O)NCCn1cc[nH+]c1 ZINC000049370939 353162829 /nfs/dbraw/zinc/16/28/29/353162829.db2.gz WYUHKYIQUUCRAS-QMMMGPOBSA-N 1 2 212.253 -0.437 20 0 BBADLO C[C@@H](O)CNC(=O)NCCn1cc[nH+]c1 ZINC000049370941 323159865 /nfs/dbraw/zinc/15/98/65/323159865.db2.gz WYUHKYIQUUCRAS-MRVPVSSYSA-N 1 2 212.253 -0.437 20 0 BBADLO O=C(NCCn1cc[nH+]c1)N1CCNC(=O)C1 ZINC000049370963 323159823 /nfs/dbraw/zinc/15/98/23/323159823.db2.gz UXNXOGMMGOFHOH-UHFFFAOYSA-N 1 2 237.263 -0.976 20 0 BBADLO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000049398400 191071215 /nfs/dbraw/zinc/07/12/15/191071215.db2.gz ZLBPNJOCSPKBHQ-SECBINFHSA-N 1 2 248.348 -0.370 20 0 BBADLO CC(C)[N@H+](C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000049398400 191071212 /nfs/dbraw/zinc/07/12/12/191071212.db2.gz ZLBPNJOCSPKBHQ-SECBINFHSA-N 1 2 248.348 -0.370 20 0 BBADLO CC(C)[N@@H+](C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000049398402 191071077 /nfs/dbraw/zinc/07/10/77/191071077.db2.gz ZLBPNJOCSPKBHQ-VIFPVBQESA-N 1 2 248.348 -0.370 20 0 BBADLO CC(C)[N@H+](C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000049398402 191071076 /nfs/dbraw/zinc/07/10/76/191071076.db2.gz ZLBPNJOCSPKBHQ-VIFPVBQESA-N 1 2 248.348 -0.370 20 0 BBADLO Nc1nccnc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000049403100 191071023 /nfs/dbraw/zinc/07/10/23/191071023.db2.gz DVSLRNUWXDFYQD-UHFFFAOYSA-N 1 2 247.302 -0.021 20 0 BBADLO COC(=O)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000049496775 344642686 /nfs/dbraw/zinc/64/26/86/344642686.db2.gz MMZNREJMLNJXFY-QMMMGPOBSA-N 1 2 225.248 -0.049 20 0 BBADLO COC(=O)[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000049496778 344642448 /nfs/dbraw/zinc/64/24/48/344642448.db2.gz MMZNREJMLNJXFY-MRVPVSSYSA-N 1 2 225.248 -0.049 20 0 BBADLO COCC[N@@H+](CCn1cc[nH+]c1)CC(=O)[O-] ZINC000049607314 598075530 /nfs/dbraw/zinc/07/55/30/598075530.db2.gz HPJVSXRQGHOPGR-UHFFFAOYSA-N 1 2 227.264 -0.084 20 0 BBADLO COCC[N@H+](CCn1cc[nH+]c1)CC(=O)[O-] ZINC000049607314 598075526 /nfs/dbraw/zinc/07/55/26/598075526.db2.gz HPJVSXRQGHOPGR-UHFFFAOYSA-N 1 2 227.264 -0.084 20 0 BBADLO COC(=O)C[N@@H+](C)CCC(=O)N(C)C ZINC000049612983 344659068 /nfs/dbraw/zinc/65/90/68/344659068.db2.gz DXDJFICIBSVUTC-UHFFFAOYSA-N 1 2 202.254 -0.431 20 0 BBADLO COC(=O)C[N@H+](C)CCC(=O)N(C)C ZINC000049612983 344659065 /nfs/dbraw/zinc/65/90/65/344659065.db2.gz DXDJFICIBSVUTC-UHFFFAOYSA-N 1 2 202.254 -0.431 20 0 BBADLO 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ZINC000050066915 357312601 /nfs/dbraw/zinc/31/26/01/357312601.db2.gz MRYBQLBOHZASMO-UHFFFAOYSA-N 1 2 242.275 -0.370 20 0 BBADLO CCOC(=O)C[N@H+](C)CCN1C(=O)CCC1=O ZINC000050066915 357312595 /nfs/dbraw/zinc/31/25/95/357312595.db2.gz MRYBQLBOHZASMO-UHFFFAOYSA-N 1 2 242.275 -0.370 20 0 BBADLO CCOC(=O)C[N@@H+](C)CCC(=O)NC(=O)NC ZINC000050066917 170215011 /nfs/dbraw/zinc/21/50/11/170215011.db2.gz JXVBBLARWKESEU-UHFFFAOYSA-N 1 2 245.279 -0.673 20 0 BBADLO CCOC(=O)C[N@H+](C)CCC(=O)NC(=O)NC ZINC000050066917 170215010 /nfs/dbraw/zinc/21/50/10/170215010.db2.gz JXVBBLARWKESEU-UHFFFAOYSA-N 1 2 245.279 -0.673 20 0 BBADLO CCOC(=O)C[N@@H+](C)CCC(=O)NC(N)=O ZINC000050066920 170214461 /nfs/dbraw/zinc/21/44/61/170214461.db2.gz NVVLIUIPXVNOIA-UHFFFAOYSA-N 1 2 231.252 -0.934 20 0 BBADLO CCOC(=O)C[N@H+](C)CCC(=O)NC(N)=O ZINC000050066920 170214460 /nfs/dbraw/zinc/21/44/60/170214460.db2.gz NVVLIUIPXVNOIA-UHFFFAOYSA-N 1 2 231.252 -0.934 20 0 BBADLO CCOC(=O)CC[N@@H+](C)CCS(C)(=O)=O ZINC000050067160 643586359 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CCS(=O)(=O)CC[N@H+]1CCC[C@H](O)C1 ZINC000050103543 643591340 /nfs/dbraw/zinc/59/13/40/643591340.db2.gz IECSGTGIEJOTAQ-VIFPVBQESA-N 1 2 221.322 -0.122 20 0 BBADLO CCS(=O)(=O)CC[N@@H+]1CCC[C@H](O)C1 ZINC000050103543 643591334 /nfs/dbraw/zinc/59/13/34/643591334.db2.gz IECSGTGIEJOTAQ-VIFPVBQESA-N 1 2 221.322 -0.122 20 0 BBADLO CCS(=O)(=O)CC[N@H+]1CCC[C@@H](O)C1 ZINC000050103544 643591970 /nfs/dbraw/zinc/59/19/70/643591970.db2.gz IECSGTGIEJOTAQ-SECBINFHSA-N 1 2 221.322 -0.122 20 0 BBADLO CCS(=O)(=O)CC[N@@H+]1CCC[C@@H](O)C1 ZINC000050103544 643591962 /nfs/dbraw/zinc/59/19/62/643591962.db2.gz IECSGTGIEJOTAQ-SECBINFHSA-N 1 2 221.322 -0.122 20 0 BBADLO CCS(=O)(=O)CC[N@@H+](CCO)C1CC1 ZINC000050104112 631941584 /nfs/dbraw/zinc/94/15/84/631941584.db2.gz CSTRFQGFSGSVNZ-UHFFFAOYSA-N 1 2 221.322 -0.122 20 0 BBADLO CCS(=O)(=O)CC[N@H+](CCO)C1CC1 ZINC000050104112 631941578 /nfs/dbraw/zinc/94/15/78/631941578.db2.gz CSTRFQGFSGSVNZ-UHFFFAOYSA-N 1 2 221.322 -0.122 20 0 BBADLO 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/nfs/dbraw/zinc/37/90/30/357379030.db2.gz QOKOBFJTXQMZKC-MRVPVSSYSA-N 1 2 215.253 -0.183 20 0 BBADLO COC[C@H](O)C[N@H+](C)Cc1nc(C)no1 ZINC000050117072 357379028 /nfs/dbraw/zinc/37/90/28/357379028.db2.gz QOKOBFJTXQMZKC-MRVPVSSYSA-N 1 2 215.253 -0.183 20 0 BBADLO COC[C@@H](O)C[N@@H+](C)Cc1nccn1C ZINC000050117925 384109093 /nfs/dbraw/zinc/10/90/93/384109093.db2.gz HTBNGJUGUOHVSN-VIFPVBQESA-N 1 2 213.281 -0.141 20 0 BBADLO COC[C@@H](O)C[N@H+](C)Cc1nccn1C ZINC000050117925 384109089 /nfs/dbraw/zinc/10/90/89/384109089.db2.gz HTBNGJUGUOHVSN-VIFPVBQESA-N 1 2 213.281 -0.141 20 0 BBADLO COC[C@H](O)C[N@@H+](C)Cc1nccn1C ZINC000050117928 188328652 /nfs/dbraw/zinc/32/86/52/188328652.db2.gz HTBNGJUGUOHVSN-SECBINFHSA-N 1 2 213.281 -0.141 20 0 BBADLO COC[C@H](O)C[N@H+](C)Cc1nccn1C ZINC000050117928 188328651 /nfs/dbraw/zinc/32/86/51/188328651.db2.gz HTBNGJUGUOHVSN-SECBINFHSA-N 1 2 213.281 -0.141 20 0 BBADLO CCS(=O)(=O)CC[N@@H+](C)C[C@H](O)COC ZINC000050120538 643595950 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/nfs/dbraw/zinc/71/62/74/368716274.db2.gz KHZPORNTCHRIRL-SNVBAGLBSA-N 1 2 230.308 -0.140 20 0 BBADLO CC(=O)N[C@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000068323271 387105600 /nfs/dbraw/zinc/10/56/00/387105600.db2.gz RRJRKAWOYGNVQD-SECBINFHSA-N 1 2 238.291 -0.086 20 0 BBADLO NS(=O)(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068346226 370779199 /nfs/dbraw/zinc/77/91/99/370779199.db2.gz UAZGVPQGLNGZLU-UHFFFAOYSA-N 1 2 241.316 -0.205 20 0 BBADLO CCNC(=O)C[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000068365852 350237665 /nfs/dbraw/zinc/23/76/65/350237665.db2.gz YSUGCKRJXGXUNL-NSHDSACASA-N 1 2 235.287 -0.061 20 0 BBADLO CCNC(=O)C[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000068365854 350237399 /nfs/dbraw/zinc/23/73/99/350237399.db2.gz YSUGCKRJXGXUNL-LLVKDONJSA-N 1 2 235.287 -0.061 20 0 BBADLO CCCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000068466803 384657424 /nfs/dbraw/zinc/65/74/24/384657424.db2.gz QTEUELXSWJEVBF-SECBINFHSA-N 1 2 227.308 -0.148 20 0 BBADLO CCCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000068466803 384657415 /nfs/dbraw/zinc/65/74/15/384657415.db2.gz QTEUELXSWJEVBF-SECBINFHSA-N 1 2 227.308 -0.148 20 0 BBADLO CCCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000068466804 384658445 /nfs/dbraw/zinc/65/84/45/384658445.db2.gz QTEUELXSWJEVBF-VIFPVBQESA-N 1 2 227.308 -0.148 20 0 BBADLO CCCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000068466804 384658436 /nfs/dbraw/zinc/65/84/36/384658436.db2.gz QTEUELXSWJEVBF-VIFPVBQESA-N 1 2 227.308 -0.148 20 0 BBADLO NC(=O)[C@@H]1CCCC[N@H+]1CC(=O)NC1CC1 ZINC000068757056 181267422 /nfs/dbraw/zinc/26/74/22/181267422.db2.gz ZPWDURZXVAHWMC-VIFPVBQESA-N 1 2 225.292 -0.395 20 0 BBADLO NC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC1 ZINC000068757056 181267419 /nfs/dbraw/zinc/26/74/19/181267419.db2.gz ZPWDURZXVAHWMC-VIFPVBQESA-N 1 2 225.292 -0.395 20 0 BBADLO NC(=O)[C@H]1CCCC[N@H+]1CC(=O)NC1CC1 ZINC000068757060 181279794 /nfs/dbraw/zinc/27/97/94/181279794.db2.gz ZPWDURZXVAHWMC-SECBINFHSA-N 1 2 225.292 -0.395 20 0 BBADLO NC(=O)[C@H]1CCCC[N@@H+]1CC(=O)NC1CC1 ZINC000068757060 181279793 /nfs/dbraw/zinc/27/97/93/181279793.db2.gz ZPWDURZXVAHWMC-SECBINFHSA-N 1 2 225.292 -0.395 20 0 BBADLO CC(C)NC(=O)C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000068757599 350280525 /nfs/dbraw/zinc/28/05/25/350280525.db2.gz ZCIBGMYXBVWRCL-SECBINFHSA-N 1 2 227.308 -0.149 20 0 BBADLO CC(C)NC(=O)C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000068757599 350280523 /nfs/dbraw/zinc/28/05/23/350280523.db2.gz ZCIBGMYXBVWRCL-SECBINFHSA-N 1 2 227.308 -0.149 20 0 BBADLO CC(C)NC(=O)C[N@H+]1CCCC[C@H]1C(N)=O ZINC000068757600 350280458 /nfs/dbraw/zinc/28/04/58/350280458.db2.gz ZCIBGMYXBVWRCL-VIFPVBQESA-N 1 2 227.308 -0.149 20 0 BBADLO CC(C)NC(=O)C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000068757600 350280456 /nfs/dbraw/zinc/28/04/56/350280456.db2.gz ZCIBGMYXBVWRCL-VIFPVBQESA-N 1 2 227.308 -0.149 20 0 BBADLO CCS(=O)(=O)NCC[NH+]1CCSCC1 ZINC000068808985 388808678 /nfs/dbraw/zinc/80/86/78/388808678.db2.gz XICLHENKPKEAOJ-UHFFFAOYSA-N 1 2 238.378 -0.026 20 0 BBADLO COC[C@H](O)CN1CCn2cc[nH+]c2C1 ZINC000068891285 385038850 /nfs/dbraw/zinc/03/88/50/385038850.db2.gz GNNCKMGLSKEERA-SECBINFHSA-N 1 2 211.265 -0.294 20 0 BBADLO COC[C@@H](O)CN1CCn2cc[nH+]c2C1 ZINC000068891286 385038513 /nfs/dbraw/zinc/03/85/13/385038513.db2.gz GNNCKMGLSKEERA-VIFPVBQESA-N 1 2 211.265 -0.294 20 0 BBADLO COC[C@@H](O)C[NH2+][C@H](C(=O)OC)C(C)C ZINC000068891583 349930237 /nfs/dbraw/zinc/93/02/37/349930237.db2.gz UIGCJCMGIQNLPE-IUCAKERBSA-N 1 2 219.281 -0.219 20 0 BBADLO COC[C@@H](O)C[NH2+][C@@H](C(=O)OC)C(C)C ZINC000068891584 349929899 /nfs/dbraw/zinc/92/98/99/349929899.db2.gz UIGCJCMGIQNLPE-DTWKUNHWSA-N 1 2 219.281 -0.219 20 0 BBADLO COC[C@H](O)C[NH2+][C@H](C(=O)OC)C(C)C ZINC000068891585 349930005 /nfs/dbraw/zinc/93/00/05/349930005.db2.gz UIGCJCMGIQNLPE-BDAKNGLRSA-N 1 2 219.281 -0.219 20 0 BBADLO COC[C@H](O)C[NH2+][C@@H](C(=O)OC)C(C)C ZINC000068891586 349930308 /nfs/dbraw/zinc/93/03/08/349930308.db2.gz UIGCJCMGIQNLPE-RKDXNWHRSA-N 1 2 219.281 -0.219 20 0 BBADLO COC[C@@H](O)C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000068892329 642806217 /nfs/dbraw/zinc/80/62/17/642806217.db2.gz XQEXRAWSHMDUQM-ZJUUUORDSA-N 1 2 202.298 -0.193 20 0 BBADLO COC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000068892329 642806214 /nfs/dbraw/zinc/80/62/14/642806214.db2.gz XQEXRAWSHMDUQM-ZJUUUORDSA-N 1 2 202.298 -0.193 20 0 BBADLO CC[N@H+](CC(=O)OC)C[C@H](O)COC ZINC000068892360 343251940 /nfs/dbraw/zinc/25/19/40/343251940.db2.gz PFSDYSPLEWSTOL-QMMMGPOBSA-N 1 2 205.254 -0.511 20 0 BBADLO CC[N@@H+](CC(=O)OC)C[C@H](O)COC ZINC000068892360 343251939 /nfs/dbraw/zinc/25/19/39/343251939.db2.gz PFSDYSPLEWSTOL-QMMMGPOBSA-N 1 2 205.254 -0.511 20 0 BBADLO CC[N@H+](CC(=O)OC)C[C@@H](O)COC ZINC000068892361 343251754 /nfs/dbraw/zinc/25/17/54/343251754.db2.gz PFSDYSPLEWSTOL-MRVPVSSYSA-N 1 2 205.254 -0.511 20 0 BBADLO CC[N@@H+](CC(=O)OC)C[C@@H](O)COC ZINC000068892361 343251752 /nfs/dbraw/zinc/25/17/52/343251752.db2.gz PFSDYSPLEWSTOL-MRVPVSSYSA-N 1 2 205.254 -0.511 20 0 BBADLO Cc1cccc2[nH+]c(CNS(N)(=O)=O)cn21 ZINC000068944463 344515898 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HTZUJAXEHMVGIT-QMMMGPOBSA-N 1 2 205.254 -0.511 20 0 BBADLO NC(=O)C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000068959943 368742482 /nfs/dbraw/zinc/74/24/82/368742482.db2.gz JWVBSXDCZKCHJV-SNVBAGLBSA-N 1 2 239.319 -0.051 20 0 BBADLO NC(=O)C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000068959943 368742478 /nfs/dbraw/zinc/74/24/78/368742478.db2.gz JWVBSXDCZKCHJV-SNVBAGLBSA-N 1 2 239.319 -0.051 20 0 BBADLO CCNS(=O)(=O)CC[NH2+]Cc1cc[nH]n1 ZINC000068981251 642816180 /nfs/dbraw/zinc/81/61/80/642816180.db2.gz YXXFMFYZBFVKQS-UHFFFAOYSA-N 1 2 232.309 -0.561 20 0 BBADLO CCOC(=O)C[N@@H+](CC)C[C@H](O)COC ZINC000069054646 323088517 /nfs/dbraw/zinc/08/85/17/323088517.db2.gz KTALKTRPAXFWHD-VIFPVBQESA-N 1 2 219.281 -0.121 20 0 BBADLO CCOC(=O)C[N@H+](CC)C[C@H](O)COC ZINC000069054646 323088516 /nfs/dbraw/zinc/08/85/16/323088516.db2.gz KTALKTRPAXFWHD-VIFPVBQESA-N 1 2 219.281 -0.121 20 0 BBADLO CCOC(=O)C[N@@H+](CC)C[C@@H](O)COC ZINC000069054647 323088493 /nfs/dbraw/zinc/08/84/93/323088493.db2.gz KTALKTRPAXFWHD-SECBINFHSA-N 1 2 219.281 -0.121 20 0 BBADLO CCOC(=O)C[N@H+](CC)C[C@@H](O)COC ZINC000069054647 323088492 /nfs/dbraw/zinc/08/84/92/323088492.db2.gz KTALKTRPAXFWHD-SECBINFHSA-N 1 2 219.281 -0.121 20 0 BBADLO O=C(Cn1cccn1)NCC[NH+]1CCOCC1 ZINC000069182399 182068517 /nfs/dbraw/zinc/06/85/17/182068517.db2.gz JAJJTMUQCUWIQF-UHFFFAOYSA-N 1 2 238.291 -0.669 20 0 BBADLO CCOC[C@@H](O)C[N@@H+](CC)CC(=O)OC ZINC000069280199 386171434 /nfs/dbraw/zinc/17/14/34/386171434.db2.gz GOGRFXKPZJWCFF-VIFPVBQESA-N 1 2 219.281 -0.121 20 0 BBADLO CCOC[C@@H](O)C[N@H+](CC)CC(=O)OC ZINC000069280199 386171428 /nfs/dbraw/zinc/17/14/28/386171428.db2.gz GOGRFXKPZJWCFF-VIFPVBQESA-N 1 2 219.281 -0.121 20 0 BBADLO CCOC[C@H](O)C[N@@H+](CC)CC(=O)OC ZINC000069280204 386171312 /nfs/dbraw/zinc/17/13/12/386171312.db2.gz GOGRFXKPZJWCFF-SECBINFHSA-N 1 2 219.281 -0.121 20 0 BBADLO CCOC[C@H](O)C[N@H+](CC)CC(=O)OC ZINC000069280204 386171308 /nfs/dbraw/zinc/17/13/08/386171308.db2.gz GOGRFXKPZJWCFF-SECBINFHSA-N 1 2 219.281 -0.121 20 0 BBADLO CCOC[C@H](O)C[N@@H+](C)CC(=O)OCC ZINC000069280207 398311420 /nfs/dbraw/zinc/31/14/20/398311420.db2.gz VYWRHJWTIZOULL-SECBINFHSA-N 1 2 219.281 -0.121 20 0 BBADLO CCOC[C@H](O)C[N@H+](C)CC(=O)OCC ZINC000069280207 398311419 /nfs/dbraw/zinc/31/14/19/398311419.db2.gz VYWRHJWTIZOULL-SECBINFHSA-N 1 2 219.281 -0.121 20 0 BBADLO CCOC[C@@H](O)C[N@@H+](C)CC(=O)OCC ZINC000069280211 385285343 /nfs/dbraw/zinc/28/53/43/385285343.db2.gz VYWRHJWTIZOULL-VIFPVBQESA-N 1 2 219.281 -0.121 20 0 BBADLO CCOC[C@@H](O)C[N@H+](C)CC(=O)OCC ZINC000069280211 385285334 /nfs/dbraw/zinc/28/53/34/385285334.db2.gz VYWRHJWTIZOULL-VIFPVBQESA-N 1 2 219.281 -0.121 20 0 BBADLO COCCCNC(=O)C[N@H+]1CCC[C@@H]1C(N)=O ZINC000069450504 368752724 /nfs/dbraw/zinc/75/27/24/368752724.db2.gz AOYWLMSHBZTXOP-SECBINFHSA-N 1 2 243.307 -0.911 20 0 BBADLO COCCCNC(=O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000069450504 368752719 /nfs/dbraw/zinc/75/27/19/368752719.db2.gz AOYWLMSHBZTXOP-SECBINFHSA-N 1 2 243.307 -0.911 20 0 BBADLO COCCCNC(=O)C[N@H+]1CCC[C@H]1C(N)=O ZINC000069450506 368753396 /nfs/dbraw/zinc/75/33/96/368753396.db2.gz AOYWLMSHBZTXOP-VIFPVBQESA-N 1 2 243.307 -0.911 20 0 BBADLO COCCCNC(=O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000069450506 368753393 /nfs/dbraw/zinc/75/33/93/368753393.db2.gz AOYWLMSHBZTXOP-VIFPVBQESA-N 1 2 243.307 -0.911 20 0 BBADLO CC(C)CNC(=O)C[N@H+]1CCC[C@H]1C(N)=O ZINC000069450508 368752530 /nfs/dbraw/zinc/75/25/30/368752530.db2.gz KFLYJRKLQYSBSA-VIFPVBQESA-N 1 2 227.308 -0.292 20 0 BBADLO CC(C)CNC(=O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000069450508 368752522 /nfs/dbraw/zinc/75/25/22/368752522.db2.gz KFLYJRKLQYSBSA-VIFPVBQESA-N 1 2 227.308 -0.292 20 0 BBADLO CC(C)(CNS(C)(=O)=O)[NH+]1CCOCC1 ZINC000069474431 191002579 /nfs/dbraw/zinc/00/25/79/191002579.db2.gz WVIKJEUXSVYVRU-UHFFFAOYSA-N 1 2 236.337 -0.354 20 0 BBADLO CCc1noc(C[N@@H+](C)CCC(N)=O)n1 ZINC000069607774 342838502 /nfs/dbraw/zinc/83/85/02/342838502.db2.gz DBNJPWRNAFGOAB-UHFFFAOYSA-N 1 2 212.253 -0.061 20 0 BBADLO CCc1noc(C[N@H+](C)CCC(N)=O)n1 ZINC000069607774 342838500 /nfs/dbraw/zinc/83/85/00/342838500.db2.gz DBNJPWRNAFGOAB-UHFFFAOYSA-N 1 2 212.253 -0.061 20 0 BBADLO CC(C)OC[C@H](O)C[NH+]1CCS(=O)CC1 ZINC000069631019 134399694 /nfs/dbraw/zinc/39/96/94/134399694.db2.gz XPZYUEMGYYMBIF-SNVBAGLBSA-N 1 2 235.349 -0.163 20 0 BBADLO CC(C)OC[C@@H](O)C[NH+]1CCS(=O)CC1 ZINC000069631021 343287390 /nfs/dbraw/zinc/28/73/90/343287390.db2.gz XPZYUEMGYYMBIF-JTQLQIEISA-N 1 2 235.349 -0.163 20 0 BBADLO O=C(Cn1cccn1)NCCn1cc[nH+]c1 ZINC000069637860 368756332 /nfs/dbraw/zinc/75/63/32/368756332.db2.gz KICFUPNBUKNHRD-UHFFFAOYSA-N 1 2 219.248 -0.104 20 0 BBADLO COCC[N@@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000069866515 359035949 /nfs/dbraw/zinc/03/59/49/359035949.db2.gz AUKFONGOEFMBON-QMMMGPOBSA-N 1 2 209.311 -0.002 20 0 BBADLO COCC[N@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000069866515 359035946 /nfs/dbraw/zinc/03/59/46/359035946.db2.gz AUKFONGOEFMBON-QMMMGPOBSA-N 1 2 209.311 -0.002 20 0 BBADLO COCC[N@@H+](C)[C@H](C)CS(C)(=O)=O ZINC000069866516 359036020 /nfs/dbraw/zinc/03/60/20/359036020.db2.gz AUKFONGOEFMBON-MRVPVSSYSA-N 1 2 209.311 -0.002 20 0 BBADLO COCC[N@H+](C)[C@H](C)CS(C)(=O)=O ZINC000069866516 359036018 /nfs/dbraw/zinc/03/60/18/359036018.db2.gz AUKFONGOEFMBON-MRVPVSSYSA-N 1 2 209.311 -0.002 20 0 BBADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)CCn1cncn1 ZINC000069867447 350846228 /nfs/dbraw/zinc/84/62/28/350846228.db2.gz PXKHJAUBGPIPGL-VIFPVBQESA-N 1 2 246.336 -0.357 20 0 BBADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)CCn1cncn1 ZINC000069867447 350846226 /nfs/dbraw/zinc/84/62/26/350846226.db2.gz PXKHJAUBGPIPGL-VIFPVBQESA-N 1 2 246.336 -0.357 20 0 BBADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)CCn1cncn1 ZINC000069867449 350846126 /nfs/dbraw/zinc/84/61/26/350846126.db2.gz PXKHJAUBGPIPGL-SECBINFHSA-N 1 2 246.336 -0.357 20 0 BBADLO C[C@H](CS(C)(=O)=O)[N@H+](C)CCn1cncn1 ZINC000069867449 350846122 /nfs/dbraw/zinc/84/61/22/350846122.db2.gz PXKHJAUBGPIPGL-SECBINFHSA-N 1 2 246.336 -0.357 20 0 BBADLO CC[NH+]1CCN(S(=O)(=O)c2c[nH]cn2)CC1 ZINC000069947961 350461832 /nfs/dbraw/zinc/46/18/32/350461832.db2.gz OQSGXBVEUDDITR-UHFFFAOYSA-N 1 2 244.320 -0.264 20 0 BBADLO O=S(=O)(NCCn1cc[nH+]c1)c1c[nH]cn1 ZINC000069948826 350470836 /nfs/dbraw/zinc/47/08/36/350470836.db2.gz VMPZIKYYUJFJLU-UHFFFAOYSA-N 1 2 241.276 -0.415 20 0 BBADLO Cn1cc[nH+]c1CNS(=O)(=O)c1c[nH]cn1 ZINC000069949024 350469308 /nfs/dbraw/zinc/46/93/08/350469308.db2.gz LGBNPXMARQPLHX-UHFFFAOYSA-N 1 2 241.276 -0.378 20 0 BBADLO OCC[NH+]1CCN(c2nncs2)CC1 ZINC000069967770 183074331 /nfs/dbraw/zinc/07/43/31/183074331.db2.gz URGANIJWJLVMOF-UHFFFAOYSA-N 1 2 214.294 -0.348 20 0 BBADLO O=C([C@@H]1CCSC1)N1CC[NH+](CCO)CC1 ZINC000069985804 384568630 /nfs/dbraw/zinc/56/86/30/384568630.db2.gz XHJICCNVNZWUQT-SNVBAGLBSA-N 1 2 244.360 -0.124 20 0 BBADLO O=C([C@H]1CCSC1)N1CC[NH+](CCO)CC1 ZINC000069985805 384567276 /nfs/dbraw/zinc/56/72/76/384567276.db2.gz XHJICCNVNZWUQT-JTQLQIEISA-N 1 2 244.360 -0.124 20 0 BBADLO COC(=O)C[N@@H+](C)C[C@@H](O)COC(C)C ZINC000070199429 388877402 /nfs/dbraw/zinc/87/74/02/388877402.db2.gz NZGAEZDMGGKNRM-SECBINFHSA-N 1 2 219.281 -0.123 20 0 BBADLO COC(=O)C[N@H+](C)C[C@@H](O)COC(C)C ZINC000070199429 388877400 /nfs/dbraw/zinc/87/74/00/388877400.db2.gz NZGAEZDMGGKNRM-SECBINFHSA-N 1 2 219.281 -0.123 20 0 BBADLO COC(=O)C[N@@H+](C)C[C@H](O)COC(C)C ZINC000070199430 388877553 /nfs/dbraw/zinc/87/75/53/388877553.db2.gz NZGAEZDMGGKNRM-VIFPVBQESA-N 1 2 219.281 -0.123 20 0 BBADLO COC(=O)C[N@H+](C)C[C@H](O)COC(C)C ZINC000070199430 388877551 /nfs/dbraw/zinc/87/75/51/388877551.db2.gz NZGAEZDMGGKNRM-VIFPVBQESA-N 1 2 219.281 -0.123 20 0 BBADLO Cc1n[nH]cc1C(=O)N1CC[NH+](CCO)CC1 ZINC000070214932 388877477 /nfs/dbraw/zinc/87/74/77/388877477.db2.gz OBSVIXZVVUJOKT-UHFFFAOYSA-N 1 2 238.291 -0.532 20 0 BBADLO C[C@@H](Cn1cc[nH+]c1)NS(C)(=O)=O ZINC000070226787 383892958 /nfs/dbraw/zinc/89/29/58/383892958.db2.gz HIRNTXHGZJRUIA-ZETCQYMHSA-N 1 2 203.267 -0.179 20 0 BBADLO C[C@H](Cn1cc[nH+]c1)NS(C)(=O)=O ZINC000070226788 383893876 /nfs/dbraw/zinc/89/38/76/383893876.db2.gz HIRNTXHGZJRUIA-SSDOTTSWSA-N 1 2 203.267 -0.179 20 0 BBADLO C[NH+]1CCN(C(=O)c2cnsn2)CC1 ZINC000070227457 642423297 /nfs/dbraw/zinc/42/32/97/642423297.db2.gz VPHZYZSDQGTFPN-UHFFFAOYSA-N 1 2 212.278 -0.074 20 0 BBADLO CCS(=O)(=O)NCCn1cc[nH+]c1 ZINC000070227840 383892866 /nfs/dbraw/zinc/89/28/66/383892866.db2.gz QWICGALEFDDOLW-UHFFFAOYSA-N 1 2 203.267 -0.178 20 0 BBADLO NC(=O)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000070249376 359046379 /nfs/dbraw/zinc/04/63/79/359046379.db2.gz BKMNMZIGEYSSIO-UHFFFAOYSA-N 1 2 232.243 -0.522 20 0 BBADLO C[NH+]1CCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000070249957 343316035 /nfs/dbraw/zinc/31/60/35/343316035.db2.gz GHBILWIKXSWAOE-UHFFFAOYSA-N 1 2 247.364 -0.036 20 0 BBADLO C[NH+]1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000070249958 343316085 /nfs/dbraw/zinc/31/60/85/343316085.db2.gz SZPULFGUASTEAB-UHFFFAOYSA-N 1 2 233.337 -0.426 20 0 BBADLO CCOCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000070255855 170346832 /nfs/dbraw/zinc/34/68/32/170346832.db2.gz 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225.292 -0.584 20 0 BBADLO CCOC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000070266552 359048744 /nfs/dbraw/zinc/04/87/44/359048744.db2.gz DBTRIOJGXVVZSA-UHFFFAOYSA-N 1 2 229.280 -0.364 20 0 BBADLO CCOC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000070266552 359048741 /nfs/dbraw/zinc/04/87/41/359048741.db2.gz DBTRIOJGXVVZSA-UHFFFAOYSA-N 1 2 229.280 -0.364 20 0 BBADLO Cn1cnc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000070266632 173092926 /nfs/dbraw/zinc/09/29/26/173092926.db2.gz GKOFZLDPFCLRIP-UHFFFAOYSA-N 1 2 244.320 -0.644 20 0 BBADLO COCCOCC[N@@H+](C)CC(=O)OC ZINC000070535997 343332697 /nfs/dbraw/zinc/33/26/97/343332697.db2.gz ZNDQHMXQIHTOGA-UHFFFAOYSA-N 1 2 205.254 -0.246 20 0 BBADLO COCCOCC[N@H+](C)CC(=O)OC ZINC000070535997 343332695 /nfs/dbraw/zinc/33/26/95/343332695.db2.gz ZNDQHMXQIHTOGA-UHFFFAOYSA-N 1 2 205.254 -0.246 20 0 BBADLO O=C(CN1CSCC1=O)NCc1[nH]cc[nH+]1 ZINC000070651607 387071918 /nfs/dbraw/zinc/07/19/18/387071918.db2.gz LXAVVGOGJRJVKA-UHFFFAOYSA-N 1 2 240.288 -0.441 20 0 BBADLO CN1C[C@H](C(=O)NCc2[nH]cc[nH+]2)CC1=O ZINC000070651632 173191474 /nfs/dbraw/zinc/19/14/74/173191474.db2.gz MDBWLZMAODZZIG-SSDOTTSWSA-N 1 2 222.248 -0.496 20 0 BBADLO CN1C[C@@H](C(=O)NCc2[nH]cc[nH+]2)CC1=O ZINC000070651633 173181445 /nfs/dbraw/zinc/18/14/45/173181445.db2.gz MDBWLZMAODZZIG-ZETCQYMHSA-N 1 2 222.248 -0.496 20 0 BBADLO O=C(Cn1cccn1)NCc1[nH]cc[nH+]1 ZINC000070651634 343337936 /nfs/dbraw/zinc/33/79/36/343337936.db2.gz KETBZUNYPBDMRA-UHFFFAOYSA-N 1 2 205.221 -0.077 20 0 BBADLO CNC(=O)C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000070703328 411403883 /nfs/dbraw/zinc/40/38/83/411403883.db2.gz JRNAYLMOHWXGHM-UHFFFAOYSA-N 1 2 248.330 -0.055 20 0 BBADLO CNC(=O)CN1CC[NH+](Cc2cccnc2)CC1 ZINC000070703328 411403878 /nfs/dbraw/zinc/40/38/78/411403878.db2.gz JRNAYLMOHWXGHM-UHFFFAOYSA-N 1 2 248.330 -0.055 20 0 BBADLO COC(=O)[C@](C)(O)C[NH+]1CCOCC1 ZINC000070714020 388237309 /nfs/dbraw/zinc/23/73/09/388237309.db2.gz NFMPEEDDOOSRNE-SECBINFHSA-N 1 2 203.238 -0.757 20 0 BBADLO COC(=O)[C@@](C)(O)C[NH+]1CCOCC1 ZINC000070714021 388237638 /nfs/dbraw/zinc/23/76/38/388237638.db2.gz NFMPEEDDOOSRNE-VIFPVBQESA-N 1 2 203.238 -0.757 20 0 BBADLO Cn1ncc2c1nc[nH+]c2N1CC(O)C1 ZINC000070798117 343112052 /nfs/dbraw/zinc/11/20/52/343112052.db2.gz OTNHRZUWKLRJAS-UHFFFAOYSA-N 1 2 205.221 -0.456 20 0 BBADLO COCCS(=O)(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070819087 361769644 /nfs/dbraw/zinc/76/96/44/361769644.db2.gz MHESZJOVYQEKHI-UHFFFAOYSA-N 1 2 233.293 -0.182 20 0 BBADLO CN(Cc1[nH]cc[nH+]1)S(=O)(=O)c1c[nH]cn1 ZINC000070819095 361769824 /nfs/dbraw/zinc/76/98/24/361769824.db2.gz UBOAAFXMJPMKOA-UHFFFAOYSA-N 1 2 241.276 -0.047 20 0 BBADLO O=S(=O)(NCc1[nH]cc[nH+]1)N1CCCC1 ZINC000070820008 361770868 /nfs/dbraw/zinc/77/08/68/361770868.db2.gz JBNBEKFPLFIJEE-UHFFFAOYSA-N 1 2 230.293 -0.160 20 0 BBADLO Cn1cnc(S(=O)(=O)NCc2[nH]cc[nH+]2)c1 ZINC000070820015 361770046 /nfs/dbraw/zinc/77/00/46/361770046.db2.gz YMCGCUBWKPKPDW-UHFFFAOYSA-N 1 2 241.276 -0.378 20 0 BBADLO CCOCCS(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000070820034 490238854 /nfs/dbraw/zinc/23/88/54/490238854.db2.gz KSIHNTSPPNSFOP-UHFFFAOYSA-N 1 2 233.293 -0.134 20 0 BBADLO COCCCS(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000070820040 490238883 /nfs/dbraw/zinc/23/88/83/490238883.db2.gz ONUFYKLRFFFMEU-UHFFFAOYSA-N 1 2 233.293 -0.134 20 0 BBADLO CN(C)S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000070820045 490238755 /nfs/dbraw/zinc/23/87/55/490238755.db2.gz HFUVUFWLFWVSHA-UHFFFAOYSA-N 1 2 204.255 -0.694 20 0 BBADLO O=S(=O)(NCc1[nH]cc[nH+]1)N1CCOCC1 ZINC000070820065 490238493 /nfs/dbraw/zinc/23/84/93/490238493.db2.gz HSEQESCYGLPMSU-UHFFFAOYSA-N 1 2 246.292 -0.924 20 0 BBADLO Cn1cc(S(=O)(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000070820070 490238934 /nfs/dbraw/zinc/23/89/34/490238934.db2.gz NKUGNLBSBCPNRK-UHFFFAOYSA-N 1 2 241.276 -0.378 20 0 BBADLO Cn1ccnc1C[NH2+][C@H]1CC(=O)N(C)C1=O ZINC000070853113 350069746 /nfs/dbraw/zinc/06/97/46/350069746.db2.gz SSJBJMHIYFRJOI-ZETCQYMHSA-N 1 2 222.248 -0.733 20 0 BBADLO CCN(C)C(=O)C[NH2+]Cc1nccn1C ZINC000070853469 343338786 /nfs/dbraw/zinc/33/87/86/343338786.db2.gz AKLVKFJOMHSFTM-UHFFFAOYSA-N 1 2 210.281 -0.012 20 0 BBADLO O=S(=O)(NCc1[nH]cc[nH+]1)C1CC1 ZINC000070909894 490248712 /nfs/dbraw/zinc/24/87/12/490248712.db2.gz STLNGCHOORPGDL-UHFFFAOYSA-N 1 2 201.251 -0.009 20 0 BBADLO Cn1cc[nH+]c1CN1CCC[C@@H]1C(N)=O ZINC000070949715 383970839 /nfs/dbraw/zinc/97/08/39/383970839.db2.gz VIHILLOMZVJNJE-MRVPVSSYSA-N 1 2 208.265 -0.130 20 0 BBADLO Cn1cc[nH+]c1CN1CCC[C@H]1C(N)=O ZINC000070949718 388442076 /nfs/dbraw/zinc/44/20/76/388442076.db2.gz VIHILLOMZVJNJE-QMMMGPOBSA-N 1 2 208.265 -0.130 20 0 BBADLO CCOCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)OC ZINC000070979765 359069075 /nfs/dbraw/zinc/06/90/75/359069075.db2.gz NSIQXCJKYWWTCZ-VIFPVBQESA-N 1 2 244.291 -0.614 20 0 BBADLO CCOCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)OC ZINC000070979765 359069072 /nfs/dbraw/zinc/06/90/72/359069072.db2.gz NSIQXCJKYWWTCZ-VIFPVBQESA-N 1 2 244.291 -0.614 20 0 BBADLO CCOCC[N@H+]1CCNC(=O)[C@H]1CC(=O)OC ZINC000070979767 359068978 /nfs/dbraw/zinc/06/89/78/359068978.db2.gz NSIQXCJKYWWTCZ-SECBINFHSA-N 1 2 244.291 -0.614 20 0 BBADLO CCOCC[N@@H+]1CCNC(=O)[C@H]1CC(=O)OC ZINC000070979767 359068976 /nfs/dbraw/zinc/06/89/76/359068976.db2.gz NSIQXCJKYWWTCZ-SECBINFHSA-N 1 2 244.291 -0.614 20 0 BBADLO CCCC[N@@H+](CC(N)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000070980055 387084681 /nfs/dbraw/zinc/08/46/81/387084681.db2.gz DXVRYHMPGZMDIH-SECBINFHSA-N 1 2 248.348 -0.239 20 0 BBADLO CCCC[N@H+](CC(N)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000070980055 387084676 /nfs/dbraw/zinc/08/46/76/387084676.db2.gz DXVRYHMPGZMDIH-SECBINFHSA-N 1 2 248.348 -0.239 20 0 BBADLO CCCC[N@@H+](CC(N)=O)[C@H]1CCS(=O)(=O)C1 ZINC000070980057 387086121 /nfs/dbraw/zinc/08/61/21/387086121.db2.gz DXVRYHMPGZMDIH-VIFPVBQESA-N 1 2 248.348 -0.239 20 0 BBADLO CCCC[N@H+](CC(N)=O)[C@H]1CCS(=O)(=O)C1 ZINC000070980057 387086120 /nfs/dbraw/zinc/08/61/20/387086120.db2.gz DXVRYHMPGZMDIH-VIFPVBQESA-N 1 2 248.348 -0.239 20 0 BBADLO CN(Cc1[nH]cc[nH+]1)C(=O)CN1CCCC1=O ZINC000070980439 359068838 /nfs/dbraw/zinc/06/88/38/359068838.db2.gz QIJWAGIUTUWCBB-UHFFFAOYSA-N 1 2 236.275 -0.010 20 0 BBADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000070980480 359068982 /nfs/dbraw/zinc/06/89/82/359068982.db2.gz QMHXZNHNKSFWFK-MRVPVSSYSA-N 1 2 236.275 -0.154 20 0 BBADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CC(=O)N(C)C1 ZINC000070980482 359068851 /nfs/dbraw/zinc/06/88/51/359068851.db2.gz QMHXZNHNKSFWFK-QMMMGPOBSA-N 1 2 236.275 -0.154 20 0 BBADLO CN1N=C(C(=O)NCc2[nH]cc[nH+]2)CCC1=O ZINC000070990056 173204160 /nfs/dbraw/zinc/20/41/60/173204160.db2.gz PBLGHNIBJKXARG-UHFFFAOYSA-N 1 2 235.247 -0.366 20 0 BBADLO CCN1C[C@H](C(=O)NCc2[nH]cc[nH+]2)CC1=O ZINC000070991106 170032953 /nfs/dbraw/zinc/03/29/53/170032953.db2.gz DGFPIDSVPQPTFI-MRVPVSSYSA-N 1 2 236.275 -0.106 20 0 BBADLO CCN1C[C@@H](C(=O)NCc2[nH]cc[nH+]2)CC1=O ZINC000070991108 170027124 /nfs/dbraw/zinc/02/71/24/170027124.db2.gz DGFPIDSVPQPTFI-QMMMGPOBSA-N 1 2 236.275 -0.106 20 0 BBADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC1 ZINC000071034806 368770653 /nfs/dbraw/zinc/77/06/53/368770653.db2.gz HSQCFBDKXAMTCY-UHFFFAOYSA-N 1 2 227.308 -0.325 20 0 BBADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC1 ZINC000071034806 368770651 /nfs/dbraw/zinc/77/06/51/368770651.db2.gz HSQCFBDKXAMTCY-UHFFFAOYSA-N 1 2 227.308 -0.325 20 0 BBADLO CN(C)C(=O)CN(C)Cc1[nH+]ccn1C ZINC000071090483 368769609 /nfs/dbraw/zinc/76/96/09/368769609.db2.gz GHBXIHDRNRGLOP-UHFFFAOYSA-N 1 2 210.281 -0.060 20 0 BBADLO Cn1cc[nH+]c1CNC(=O)C1=NNC(=O)CC1 ZINC000071140272 180743169 /nfs/dbraw/zinc/74/31/69/180743169.db2.gz DJPNNXDEBPPMNG-UHFFFAOYSA-N 1 2 235.247 -0.698 20 0 BBADLO COC[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC000071271795 384158187 /nfs/dbraw/zinc/15/81/87/384158187.db2.gz LATQWNRYRSWWCC-ZETCQYMHSA-N 1 2 237.263 -0.218 20 0 BBADLO COC[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC000071271796 384160016 /nfs/dbraw/zinc/16/00/16/384160016.db2.gz LATQWNRYRSWWCC-SSDOTTSWSA-N 1 2 237.263 -0.218 20 0 BBADLO Cn1ccnc1C[NH2+][C@H]1CC(=O)N(C2CC2)C1=O ZINC000071273503 350095993 /nfs/dbraw/zinc/09/59/93/350095993.db2.gz FPVYBTVXKSTWEU-VIFPVBQESA-N 1 2 248.286 -0.200 20 0 BBADLO COC(=O)CN1CCC[N@@H+](CC(=O)OC)CC1 ZINC000071805427 387123516 /nfs/dbraw/zinc/12/35/16/387123516.db2.gz BKVSUNXBBNEWOW-UHFFFAOYSA-N 1 2 244.291 -0.660 20 0 BBADLO COC(=O)CN1CCC[N@H+](CC(=O)OC)CC1 ZINC000071805427 387123513 /nfs/dbraw/zinc/12/35/13/387123513.db2.gz BKVSUNXBBNEWOW-UHFFFAOYSA-N 1 2 244.291 -0.660 20 0 BBADLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC000072020333 384648916 /nfs/dbraw/zinc/64/89/16/384648916.db2.gz WSJVQDRVUAICRU-VIFPVBQESA-N 1 2 225.292 -0.525 20 0 BBADLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC000072020333 384648910 /nfs/dbraw/zinc/64/89/10/384648910.db2.gz WSJVQDRVUAICRU-VIFPVBQESA-N 1 2 225.292 -0.525 20 0 BBADLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC000072020334 384648324 /nfs/dbraw/zinc/64/83/24/384648324.db2.gz WSJVQDRVUAICRU-SECBINFHSA-N 1 2 225.292 -0.525 20 0 BBADLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC000072020334 384648320 /nfs/dbraw/zinc/64/83/20/384648320.db2.gz WSJVQDRVUAICRU-SECBINFHSA-N 1 2 225.292 -0.525 20 0 BBADLO CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC000072055223 384676384 /nfs/dbraw/zinc/67/63/84/384676384.db2.gz PSIXUFYVPUSNCI-SECBINFHSA-N 1 2 227.308 -0.277 20 0 BBADLO CCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC)C1 ZINC000072055223 384676377 /nfs/dbraw/zinc/67/63/77/384676377.db2.gz PSIXUFYVPUSNCI-SECBINFHSA-N 1 2 227.308 -0.277 20 0 BBADLO CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC000072055224 384674709 /nfs/dbraw/zinc/67/47/09/384674709.db2.gz PSIXUFYVPUSNCI-VIFPVBQESA-N 1 2 227.308 -0.277 20 0 BBADLO CCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC)C1 ZINC000072055224 384674701 /nfs/dbraw/zinc/67/47/01/384674701.db2.gz PSIXUFYVPUSNCI-VIFPVBQESA-N 1 2 227.308 -0.277 20 0 BBADLO CCOC(=O)CCC[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000072082264 359084486 /nfs/dbraw/zinc/08/44/86/359084486.db2.gz LWIKSLXLYNNQKR-VIFPVBQESA-N 1 2 244.291 -0.484 20 0 BBADLO CCOC(=O)CCC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000072082264 359084484 /nfs/dbraw/zinc/08/44/84/359084484.db2.gz LWIKSLXLYNNQKR-VIFPVBQESA-N 1 2 244.291 -0.484 20 0 BBADLO CCOC(=O)CCC[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000072082265 359084478 /nfs/dbraw/zinc/08/44/78/359084478.db2.gz LWIKSLXLYNNQKR-SECBINFHSA-N 1 2 244.291 -0.484 20 0 BBADLO CCOC(=O)CCC[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000072082265 359084477 /nfs/dbraw/zinc/08/44/77/359084477.db2.gz LWIKSLXLYNNQKR-SECBINFHSA-N 1 2 244.291 -0.484 20 0 BBADLO CCCNC(=O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC000072558634 169218171 /nfs/dbraw/zinc/21/81/71/169218171.db2.gz BNWXUYPAXPEFKV-UHFFFAOYSA-N 1 2 238.291 -0.132 20 0 BBADLO NC(=O)[C@@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC000072588280 385082619 /nfs/dbraw/zinc/08/26/19/385082619.db2.gz ISSLIOWGBFYFQL-QMMMGPOBSA-N 1 2 211.265 -0.785 20 0 BBADLO NC(=O)[C@@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC000072588280 385082613 /nfs/dbraw/zinc/08/26/13/385082613.db2.gz ISSLIOWGBFYFQL-QMMMGPOBSA-N 1 2 211.265 -0.785 20 0 BBADLO CCN(C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC000072676426 325164838 /nfs/dbraw/zinc/16/48/38/325164838.db2.gz YFKYMNYAKWEHEI-UHFFFAOYSA-N 1 2 221.326 -0.570 20 0 BBADLO CCN(C)S(=O)(=O)N1CC[NH+](CC)CC1 ZINC000072676430 325164723 /nfs/dbraw/zinc/16/47/23/325164723.db2.gz GMIJRKPITTTYFW-UHFFFAOYSA-N 1 2 235.353 -0.180 20 0 BBADLO NC(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCCC1 ZINC000072801991 344355429 /nfs/dbraw/zinc/35/54/29/344355429.db2.gz CNHBMHHDBBNWSW-VIFPVBQESA-N 1 2 225.292 -0.442 20 0 BBADLO NC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCCC1 ZINC000072801991 344355427 /nfs/dbraw/zinc/35/54/27/344355427.db2.gz CNHBMHHDBBNWSW-VIFPVBQESA-N 1 2 225.292 -0.442 20 0 BBADLO NC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N1CCCC1 ZINC000072802898 359091272 /nfs/dbraw/zinc/09/12/72/359091272.db2.gz GLLXSUGTOHVACW-JTQLQIEISA-N 1 2 239.319 -0.051 20 0 BBADLO NC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCCC1 ZINC000072802898 359091271 /nfs/dbraw/zinc/09/12/71/359091271.db2.gz GLLXSUGTOHVACW-JTQLQIEISA-N 1 2 239.319 -0.051 20 0 BBADLO NC(=O)[C@H]1CCCC[N@H+]1CC(=O)N1CCCC1 ZINC000072802900 135041845 /nfs/dbraw/zinc/04/18/45/135041845.db2.gz GLLXSUGTOHVACW-SNVBAGLBSA-N 1 2 239.319 -0.051 20 0 BBADLO NC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N1CCCC1 ZINC000072802900 135041844 /nfs/dbraw/zinc/04/18/44/135041844.db2.gz GLLXSUGTOHVACW-SNVBAGLBSA-N 1 2 239.319 -0.051 20 0 BBADLO CCNC(=O)C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000072802901 135041877 /nfs/dbraw/zinc/04/18/77/135041877.db2.gz NRUZSFBTOWZODN-MRVPVSSYSA-N 1 2 213.281 -0.538 20 0 BBADLO CCNC(=O)C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000072802901 135041876 /nfs/dbraw/zinc/04/18/76/135041876.db2.gz NRUZSFBTOWZODN-MRVPVSSYSA-N 1 2 213.281 -0.538 20 0 BBADLO CCNC(=O)C[N@H+]1CCCC[C@H]1C(N)=O ZINC000072802902 135041615 /nfs/dbraw/zinc/04/16/15/135041615.db2.gz NRUZSFBTOWZODN-QMMMGPOBSA-N 1 2 213.281 -0.538 20 0 BBADLO CCNC(=O)C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000072802902 135041612 /nfs/dbraw/zinc/04/16/12/135041612.db2.gz NRUZSFBTOWZODN-QMMMGPOBSA-N 1 2 213.281 -0.538 20 0 BBADLO CCNC(=O)C[N@@H+](C)Cc1cnn(C)c1 ZINC000072803312 368781222 /nfs/dbraw/zinc/78/12/22/368781222.db2.gz PEBKFXKRADTSPD-UHFFFAOYSA-N 1 2 210.281 -0.012 20 0 BBADLO CCNC(=O)C[N@H+](C)Cc1cnn(C)c1 ZINC000072803312 368781220 /nfs/dbraw/zinc/78/12/20/368781220.db2.gz PEBKFXKRADTSPD-UHFFFAOYSA-N 1 2 210.281 -0.012 20 0 BBADLO C[C@@H](C(=O)NC1CC1)[N@@H+](C)CC(=O)N(C)C ZINC000072803479 385939318 /nfs/dbraw/zinc/93/93/18/385939318.db2.gz OUHWHLNQQPXSHV-QMMMGPOBSA-N 1 2 227.308 -0.327 20 0 BBADLO C[C@@H](C(=O)NC1CC1)[N@H+](C)CC(=O)N(C)C ZINC000072803479 385939312 /nfs/dbraw/zinc/93/93/12/385939312.db2.gz OUHWHLNQQPXSHV-QMMMGPOBSA-N 1 2 227.308 -0.327 20 0 BBADLO C[C@H](C(=O)NC1CC1)[N@@H+](C)CC(=O)N(C)C ZINC000072803481 385940588 /nfs/dbraw/zinc/94/05/88/385940588.db2.gz OUHWHLNQQPXSHV-MRVPVSSYSA-N 1 2 227.308 -0.327 20 0 BBADLO C[C@H](C(=O)NC1CC1)[N@H+](C)CC(=O)N(C)C ZINC000072803481 385940582 /nfs/dbraw/zinc/94/05/82/385940582.db2.gz OUHWHLNQQPXSHV-MRVPVSSYSA-N 1 2 227.308 -0.327 20 0 BBADLO COC(=O)C[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072833343 368782598 /nfs/dbraw/zinc/78/25/98/368782598.db2.gz UWUOIGXEOKTROM-LLVKDONJSA-N 1 2 226.276 -0.239 20 0 BBADLO COC(=O)C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072833343 368782594 /nfs/dbraw/zinc/78/25/94/368782594.db2.gz UWUOIGXEOKTROM-LLVKDONJSA-N 1 2 226.276 -0.239 20 0 BBADLO COC(=O)C[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000072833345 368782941 /nfs/dbraw/zinc/78/29/41/368782941.db2.gz UWUOIGXEOKTROM-NSHDSACASA-N 1 2 226.276 -0.239 20 0 BBADLO COC(=O)C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000072833345 368782940 /nfs/dbraw/zinc/78/29/40/368782940.db2.gz UWUOIGXEOKTROM-NSHDSACASA-N 1 2 226.276 -0.239 20 0 BBADLO CNC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000072856997 351637319 /nfs/dbraw/zinc/63/73/19/351637319.db2.gz PFXNBJPQMBOBGQ-UHFFFAOYSA-N 1 2 248.330 -0.055 20 0 BBADLO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCC(F)(F)F ZINC000072973102 490051964 /nfs/dbraw/zinc/05/19/64/490051964.db2.gz AOGUSKGAJUEJOD-RITPCOANSA-N 1 2 226.198 -0.141 20 0 BBADLO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCC(F)(F)F ZINC000072973102 490051958 /nfs/dbraw/zinc/05/19/58/490051958.db2.gz AOGUSKGAJUEJOD-RITPCOANSA-N 1 2 226.198 -0.141 20 0 BBADLO CCNC(=O)CN(C)Cc1[nH+]ccn1C ZINC000072979485 368786707 /nfs/dbraw/zinc/78/67/07/368786707.db2.gz CEJAOAYKGGTFSY-UHFFFAOYSA-N 1 2 210.281 -0.012 20 0 BBADLO COC(=O)C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000073106286 368793730 /nfs/dbraw/zinc/79/37/30/368793730.db2.gz QYWHPJWICOQWGW-QMMMGPOBSA-N 1 2 214.265 -0.288 20 0 BBADLO COC(=O)C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000073106286 368793728 /nfs/dbraw/zinc/79/37/28/368793728.db2.gz QYWHPJWICOQWGW-QMMMGPOBSA-N 1 2 214.265 -0.288 20 0 BBADLO CC(C)(C)NC(=O)C[N@H+]1CCNC(=O)CC1 ZINC000073350268 385976122 /nfs/dbraw/zinc/97/61/22/385976122.db2.gz PAXVNUFHNGXPPW-UHFFFAOYSA-N 1 2 227.308 -0.277 20 0 BBADLO CC(C)(C)NC(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000073350268 385976116 /nfs/dbraw/zinc/97/61/16/385976116.db2.gz PAXVNUFHNGXPPW-UHFFFAOYSA-N 1 2 227.308 -0.277 20 0 BBADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CCNC(=O)CC1 ZINC000073350298 359100573 /nfs/dbraw/zinc/10/05/73/359100573.db2.gz PNXTUCZWIAOIJX-SNVBAGLBSA-N 1 2 241.335 -0.031 20 0 BBADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000073350298 359100569 /nfs/dbraw/zinc/10/05/69/359100569.db2.gz PNXTUCZWIAOIJX-SNVBAGLBSA-N 1 2 241.335 -0.031 20 0 BBADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCNC(=O)CC1 ZINC000073350299 359100507 /nfs/dbraw/zinc/10/05/07/359100507.db2.gz PNXTUCZWIAOIJX-JTQLQIEISA-N 1 2 241.335 -0.031 20 0 BBADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000073350299 359100505 /nfs/dbraw/zinc/10/05/05/359100505.db2.gz PNXTUCZWIAOIJX-JTQLQIEISA-N 1 2 241.335 -0.031 20 0 BBADLO Cc1cc(N)nc(SC[C@H](O)CO)[nH+]1 ZINC000073416116 135389453 /nfs/dbraw/zinc/38/94/53/135389453.db2.gz PIJLPQPWVYELMO-ZCFIWIBFSA-N 1 2 215.278 -0.187 20 0 BBADLO Cc1cc(N)nc(SC[C@@H](O)CO)[nH+]1 ZINC000073416117 135389919 /nfs/dbraw/zinc/38/99/19/135389919.db2.gz PIJLPQPWVYELMO-LURJTMIESA-N 1 2 215.278 -0.187 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)N2CCNC2=O)CCO1 ZINC000073507849 359103114 /nfs/dbraw/zinc/10/31/14/359103114.db2.gz GVTSXOVWHSZGOJ-MRVPVSSYSA-N 1 2 227.264 -0.741 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)N2CCNC2=O)CCO1 ZINC000073507849 359103109 /nfs/dbraw/zinc/10/31/09/359103109.db2.gz GVTSXOVWHSZGOJ-MRVPVSSYSA-N 1 2 227.264 -0.741 20 0 BBADLO C[C@H]1C[N@@H+](CC(=O)N2CCNC2=O)CCO1 ZINC000073507851 359103174 /nfs/dbraw/zinc/10/31/74/359103174.db2.gz GVTSXOVWHSZGOJ-QMMMGPOBSA-N 1 2 227.264 -0.741 20 0 BBADLO C[C@H]1C[N@H+](CC(=O)N2CCNC2=O)CCO1 ZINC000073507851 359103170 /nfs/dbraw/zinc/10/31/70/359103170.db2.gz GVTSXOVWHSZGOJ-QMMMGPOBSA-N 1 2 227.264 -0.741 20 0 BBADLO COC(=O)CCNC(=O)C[N@H+]1CCO[C@H](C)C1 ZINC000073507862 385981365 /nfs/dbraw/zinc/98/13/65/385981365.db2.gz HDDASKMQJHFDNF-SECBINFHSA-N 1 2 244.291 -0.614 20 0 BBADLO COC(=O)CCNC(=O)C[N@@H+]1CCO[C@H](C)C1 ZINC000073507862 385981361 /nfs/dbraw/zinc/98/13/61/385981361.db2.gz HDDASKMQJHFDNF-SECBINFHSA-N 1 2 244.291 -0.614 20 0 BBADLO COC(=O)CCNC(=O)C[N@H+]1CCO[C@@H](C)C1 ZINC000073507865 385982026 /nfs/dbraw/zinc/98/20/26/385982026.db2.gz HDDASKMQJHFDNF-VIFPVBQESA-N 1 2 244.291 -0.614 20 0 BBADLO COC(=O)CCNC(=O)C[N@@H+]1CCO[C@@H](C)C1 ZINC000073507865 385982022 /nfs/dbraw/zinc/98/20/22/385982022.db2.gz HDDASKMQJHFDNF-VIFPVBQESA-N 1 2 244.291 -0.614 20 0 BBADLO CN1C(=O)C(=O)N(C[N@@H+](C)C2CC2)C1=O ZINC000073586182 643689441 /nfs/dbraw/zinc/68/94/41/643689441.db2.gz DYWQIYAIQMTHNL-UHFFFAOYSA-N 1 2 211.221 -0.541 20 0 BBADLO CN1C(=O)C(=O)N(C[N@H+](C)C2CC2)C1=O ZINC000073586182 643689434 /nfs/dbraw/zinc/68/94/34/643689434.db2.gz DYWQIYAIQMTHNL-UHFFFAOYSA-N 1 2 211.221 -0.541 20 0 BBADLO COC(=O)CCNC(=O)C[N@H+]1CCOC[C@H]1C ZINC000073617692 385997649 /nfs/dbraw/zinc/99/76/49/385997649.db2.gz MQXFZORUVVNFFR-SECBINFHSA-N 1 2 244.291 -0.614 20 0 BBADLO COC(=O)CCNC(=O)C[N@@H+]1CCOC[C@H]1C ZINC000073617692 385997646 /nfs/dbraw/zinc/99/76/46/385997646.db2.gz MQXFZORUVVNFFR-SECBINFHSA-N 1 2 244.291 -0.614 20 0 BBADLO COC(=O)CCNC(=O)C[N@H+]1CCOC[C@@H]1C ZINC000073617696 385997574 /nfs/dbraw/zinc/99/75/74/385997574.db2.gz MQXFZORUVVNFFR-VIFPVBQESA-N 1 2 244.291 -0.614 20 0 BBADLO COC(=O)CCNC(=O)C[N@@H+]1CCOC[C@@H]1C ZINC000073617696 385997569 /nfs/dbraw/zinc/99/75/69/385997569.db2.gz MQXFZORUVVNFFR-VIFPVBQESA-N 1 2 244.291 -0.614 20 0 BBADLO NC(=O)[C@@H]1CCCC[N@H+]1CC(=O)NCC1CC1 ZINC000073618076 325206438 /nfs/dbraw/zinc/20/64/38/325206438.db2.gz OQYCKBSULQMGJV-JTQLQIEISA-N 1 2 239.319 -0.148 20 0 BBADLO NC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)NCC1CC1 ZINC000073618076 325206435 /nfs/dbraw/zinc/20/64/35/325206435.db2.gz OQYCKBSULQMGJV-JTQLQIEISA-N 1 2 239.319 -0.148 20 0 BBADLO NC(=O)[C@H]1CCCC[N@H+]1CC(=O)NCC1CC1 ZINC000073618077 325206801 /nfs/dbraw/zinc/20/68/01/325206801.db2.gz OQYCKBSULQMGJV-SNVBAGLBSA-N 1 2 239.319 -0.148 20 0 BBADLO NC(=O)[C@H]1CCCC[N@@H+]1CC(=O)NCC1CC1 ZINC000073618077 325206797 /nfs/dbraw/zinc/20/67/97/325206797.db2.gz OQYCKBSULQMGJV-SNVBAGLBSA-N 1 2 239.319 -0.148 20 0 BBADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000073648793 385998498 /nfs/dbraw/zinc/99/84/98/385998498.db2.gz KZWUUBQPIBALIV-BDAKNGLRSA-N 1 2 244.291 -0.615 20 0 BBADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000073648793 385998492 /nfs/dbraw/zinc/99/84/92/385998492.db2.gz KZWUUBQPIBALIV-BDAKNGLRSA-N 1 2 244.291 -0.615 20 0 BBADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000073648794 385997679 /nfs/dbraw/zinc/99/76/79/385997679.db2.gz KZWUUBQPIBALIV-IUCAKERBSA-N 1 2 244.291 -0.615 20 0 BBADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000073648794 385997674 /nfs/dbraw/zinc/99/76/74/385997674.db2.gz KZWUUBQPIBALIV-IUCAKERBSA-N 1 2 244.291 -0.615 20 0 BBADLO C[C@@H]1COCCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000073649475 325208304 /nfs/dbraw/zinc/20/83/04/325208304.db2.gz UOEHPNCKZQFGAQ-VXGBXAGGSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@H]1COCCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000073649476 325208073 /nfs/dbraw/zinc/20/80/73/325208073.db2.gz UOEHPNCKZQFGAQ-NWDGAFQWSA-N 1 2 244.335 -0.600 20 0 BBADLO NS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000073713121 388460987 /nfs/dbraw/zinc/46/09/87/388460987.db2.gz WDGXXLFBBHGKMY-UHFFFAOYSA-N 1 2 242.304 -0.593 20 0 BBADLO CC(C)=CC[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000073714413 412128581 /nfs/dbraw/zinc/12/85/81/412128581.db2.gz LRVIOOYGCHJTMN-UHFFFAOYSA-N 1 2 233.337 -0.226 20 0 BBADLO CC[NH+]1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000073768247 135077193 /nfs/dbraw/zinc/07/71/93/135077193.db2.gz HKAUQYNYVWUMQB-UHFFFAOYSA-N 1 2 247.364 -0.036 20 0 BBADLO CCNC(=O)C[NH+](CC(=O)NCC)C(C)C ZINC000073787051 359105809 /nfs/dbraw/zinc/10/58/09/359105809.db2.gz KXBDSTQFGLPGGG-UHFFFAOYSA-N 1 2 229.324 -0.031 20 0 BBADLO CC[C@@H](C)[NH+](CC(=O)NC)CC(=O)NC ZINC000073787145 134941166 /nfs/dbraw/zinc/94/11/66/134941166.db2.gz MHOVQSNZZLOLTG-MRVPVSSYSA-N 1 2 215.297 -0.421 20 0 BBADLO CC[C@H](C)[NH+](CC(=O)NC)CC(=O)NC ZINC000073787148 359105509 /nfs/dbraw/zinc/10/55/09/359105509.db2.gz MHOVQSNZZLOLTG-QMMMGPOBSA-N 1 2 215.297 -0.421 20 0 BBADLO CCCCC[NH+](CC(=O)NC)CC(=O)NC ZINC000073787165 359106179 /nfs/dbraw/zinc/10/61/79/359106179.db2.gz MHGMJEPZZKOCOG-UHFFFAOYSA-N 1 2 229.324 -0.029 20 0 BBADLO CCNC(=O)C[NH+](CC(=O)NCC)C1CC1 ZINC000073787339 135077254 /nfs/dbraw/zinc/07/72/54/135077254.db2.gz GMDTUOYZVALMQZ-UHFFFAOYSA-N 1 2 227.308 -0.277 20 0 BBADLO CNC(=O)C[NH+](CC(=O)NC)CC(C)C ZINC000073787372 359105935 /nfs/dbraw/zinc/10/59/35/359105935.db2.gz JYSBXFOHIRAYGS-UHFFFAOYSA-N 1 2 215.297 -0.564 20 0 BBADLO NC(=O)C[NH+](CC(N)=O)CC1CCCCC1 ZINC000073804802 359106614 /nfs/dbraw/zinc/10/66/14/359106614.db2.gz INLHGFAJYVEDLL-UHFFFAOYSA-N 1 2 227.308 -0.161 20 0 BBADLO CCOCCC[NH+](CC(=O)NC)CC(=O)NC ZINC000073804859 359107320 /nfs/dbraw/zinc/10/73/20/359107320.db2.gz QVZFNHRTYGDNIN-UHFFFAOYSA-N 1 2 245.323 -0.793 20 0 BBADLO CC(C)COCCC[NH+](CC(N)=O)CC(N)=O ZINC000073805002 359107001 /nfs/dbraw/zinc/10/70/01/359107001.db2.gz IASJYAPBSCKHKV-UHFFFAOYSA-N 1 2 245.323 -0.678 20 0 BBADLO CC(=O)N1CC[NH+](CCN2CCOC2=O)CC1 ZINC000073957208 644151093 /nfs/dbraw/zinc/15/10/93/644151093.db2.gz QJJSROHYPSIPLF-UHFFFAOYSA-N 1 2 241.291 -0.397 20 0 BBADLO CC(C)NC(=O)C[N@@H+](C)CCN1CCOC1=O ZINC000073957315 644150657 /nfs/dbraw/zinc/15/06/57/644150657.db2.gz FUSSAOVCMWGBQQ-UHFFFAOYSA-N 1 2 243.307 -0.105 20 0 BBADLO CC(C)NC(=O)C[N@H+](C)CCN1CCOC1=O ZINC000073957315 644150653 /nfs/dbraw/zinc/15/06/53/644150653.db2.gz FUSSAOVCMWGBQQ-UHFFFAOYSA-N 1 2 243.307 -0.105 20 0 BBADLO NS(=O)(=O)NCc1cn2ccccc2[nH+]1 ZINC000074038194 368827567 /nfs/dbraw/zinc/82/75/67/368827567.db2.gz SLZOMOJFLDWOEE-UHFFFAOYSA-N 1 2 226.261 -0.373 20 0 BBADLO CCOC(=O)N1CC[NH+](CCOCCO)CC1 ZINC000074327812 325241810 /nfs/dbraw/zinc/24/18/10/325241810.db2.gz CNDXYOPJWQPUMU-UHFFFAOYSA-N 1 2 246.307 -0.231 20 0 BBADLO CN(C)C(=O)N1CC[NH+](CCOCCO)CC1 ZINC000074349357 354672821 /nfs/dbraw/zinc/67/28/21/354672821.db2.gz IFWATFBMIRYSJU-UHFFFAOYSA-N 1 2 245.323 -0.706 20 0 BBADLO COC[C@H](C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC000074358048 135390150 /nfs/dbraw/zinc/39/01/50/135390150.db2.gz VGXSVYXUBZHNMN-VIFPVBQESA-N 1 2 236.337 -0.402 20 0 BBADLO COC[C@@H](C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC000074358053 536559654 /nfs/dbraw/zinc/55/96/54/536559654.db2.gz VGXSVYXUBZHNMN-SECBINFHSA-N 1 2 236.337 -0.402 20 0 BBADLO C[NH+]1CCN(S(=O)(=O)[C@@H]2CCOC2)CC1 ZINC000074358056 368839961 /nfs/dbraw/zinc/83/99/61/368839961.db2.gz SOOQYRKZYFMWOZ-SECBINFHSA-N 1 2 234.321 -0.648 20 0 BBADLO C[NH+]1CCN(S(=O)(=O)[C@H]2CCOC2)CC1 ZINC000074358060 368840276 /nfs/dbraw/zinc/84/02/76/368840276.db2.gz SOOQYRKZYFMWOZ-VIFPVBQESA-N 1 2 234.321 -0.648 20 0 BBADLO C[C@@H]1CN(S(=O)(=O)N(C)C)C[C@H](C)[N@@H+]1C ZINC000074556954 135389981 /nfs/dbraw/zinc/38/99/81/135389981.db2.gz ZTRXKSYSWDYFHR-DTORHVGOSA-N 1 2 235.353 -0.183 20 0 BBADLO C[C@@H]1CN(S(=O)(=O)N(C)C)C[C@H](C)[N@H+]1C ZINC000074556954 135389978 /nfs/dbraw/zinc/38/99/78/135389978.db2.gz ZTRXKSYSWDYFHR-DTORHVGOSA-N 1 2 235.353 -0.183 20 0 BBADLO C[C@H]1CN(S(=O)(=O)N(C)C)C[C@H](C)[NH+]1C ZINC000074556955 135390605 /nfs/dbraw/zinc/39/06/05/135390605.db2.gz ZTRXKSYSWDYFHR-IUCAKERBSA-N 1 2 235.353 -0.183 20 0 BBADLO C[C@@H]1CN(S(=O)(=O)N(C)C)C[C@@H](C)[NH+]1C ZINC000074556956 135390023 /nfs/dbraw/zinc/39/00/23/135390023.db2.gz ZTRXKSYSWDYFHR-RKDXNWHRSA-N 1 2 235.353 -0.183 20 0 BBADLO Cc1nc[nH]c1C(=O)NCC[NH+]1CCOCC1 ZINC000074672598 487563607 /nfs/dbraw/zinc/56/36/07/487563607.db2.gz JVJLVCUNSKJRLT-UHFFFAOYSA-N 1 2 238.291 -0.220 20 0 BBADLO CC(=O)N1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000074673180 711517380 /nfs/dbraw/zinc/51/73/80/711517380.db2.gz HVJGZQXPDQRJOM-UHFFFAOYSA-N 1 2 236.275 -0.357 20 0 BBADLO O=C(NCC[NH+]1CCOCC1)c1cnc[nH]1 ZINC000074673804 182187555 /nfs/dbraw/zinc/18/75/55/182187555.db2.gz IPSTVWHTCOTDDF-UHFFFAOYSA-N 1 2 224.264 -0.528 20 0 BBADLO Cn1ncc(C(=O)N2CC[NH+](C)CC2)n1 ZINC000074702106 173072687 /nfs/dbraw/zinc/07/26/87/173072687.db2.gz WAYYOLVILASBFP-UHFFFAOYSA-N 1 2 209.253 -0.797 20 0 BBADLO CC[NH+]1CCN(C(=O)c2cnn(C)n2)CC1 ZINC000074702107 344008090 /nfs/dbraw/zinc/00/80/90/344008090.db2.gz BAFMCZLWNIIQCY-UHFFFAOYSA-N 1 2 223.280 -0.407 20 0 BBADLO Cn1cc(C(=O)N2CC[NH+](C)CC2)nn1 ZINC000074702509 173074047 /nfs/dbraw/zinc/07/40/47/173074047.db2.gz UCYNTAUHPGVWBU-UHFFFAOYSA-N 1 2 209.253 -0.797 20 0 BBADLO Cc1n[nH]nc1C(=O)N1CC[NH+](C)CC1 ZINC000074702643 643583878 /nfs/dbraw/zinc/58/38/78/643583878.db2.gz YESNNUPZZIDGNZ-UHFFFAOYSA-N 1 2 209.253 -0.499 20 0 BBADLO CC[NH+]1CCN(C(=O)c2n[nH]nc2C)CC1 ZINC000074702658 643585891 /nfs/dbraw/zinc/58/58/91/643585891.db2.gz DWOLFMGEJSDSJW-UHFFFAOYSA-N 1 2 223.280 -0.109 20 0 BBADLO Cc1nonc1C(=O)N1CC[NH+](C)CC1 ZINC000074703221 180511584 /nfs/dbraw/zinc/51/15/84/180511584.db2.gz DDLIKAAVMVLMMT-UHFFFAOYSA-N 1 2 210.237 -0.234 20 0 BBADLO Cc1cc(NC(=O)C[C@@H]2NC(=O)NC2=O)cc[nH+]1 ZINC000074728867 325258512 /nfs/dbraw/zinc/25/85/12/325258512.db2.gz IFRINOKTGJTMFE-QMMMGPOBSA-N 1 2 248.242 -0.073 20 0 BBADLO O=C(NCC[NH+]1CCOCC1)c1ccncn1 ZINC000074730511 182186408 /nfs/dbraw/zinc/18/64/08/182186408.db2.gz OXQSNXBYHVRDMK-UHFFFAOYSA-N 1 2 236.275 -0.461 20 0 BBADLO C[NH+]1CCN(C(=O)c2ccncn2)CC1 ZINC000074730513 173073787 /nfs/dbraw/zinc/07/37/87/173073787.db2.gz DOMXUCKHVQDCJY-UHFFFAOYSA-N 1 2 206.249 -0.136 20 0 BBADLO CCS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000074755680 359127182 /nfs/dbraw/zinc/12/71/82/359127182.db2.gz XQLBXAYDYAWRNK-QMMMGPOBSA-N 1 2 206.311 -0.028 20 0 BBADLO CCS(=O)(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000074755680 359127175 /nfs/dbraw/zinc/12/71/75/359127175.db2.gz XQLBXAYDYAWRNK-QMMMGPOBSA-N 1 2 206.311 -0.028 20 0 BBADLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)N(C)C ZINC000074755683 384138387 /nfs/dbraw/zinc/13/83/87/384138387.db2.gz RYUKARKYQIVVLC-MRVPVSSYSA-N 1 2 221.326 -0.571 20 0 BBADLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)N(C)C ZINC000074755683 384138384 /nfs/dbraw/zinc/13/83/84/384138384.db2.gz RYUKARKYQIVVLC-MRVPVSSYSA-N 1 2 221.326 -0.571 20 0 BBADLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)N(C)C ZINC000074755684 384138764 /nfs/dbraw/zinc/13/87/64/384138764.db2.gz RYUKARKYQIVVLC-QMMMGPOBSA-N 1 2 221.326 -0.571 20 0 BBADLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)N(C)C ZINC000074755684 384138759 /nfs/dbraw/zinc/13/87/59/384138759.db2.gz RYUKARKYQIVVLC-QMMMGPOBSA-N 1 2 221.326 -0.571 20 0 BBADLO CN(C)S(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000074766094 388461892 /nfs/dbraw/zinc/46/18/92/388461892.db2.gz MHJKOORAXMLHLZ-UHFFFAOYSA-N 1 2 233.337 -0.427 20 0 BBADLO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC000074773155 173107703 /nfs/dbraw/zinc/10/77/03/173107703.db2.gz NJOUSDSNCFSJBY-ZJUUUORDSA-N 1 2 228.292 -0.388 20 0 BBADLO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC000074773155 173107701 /nfs/dbraw/zinc/10/77/01/173107701.db2.gz NJOUSDSNCFSJBY-ZJUUUORDSA-N 1 2 228.292 -0.388 20 0 BBADLO C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC000074773156 173102913 /nfs/dbraw/zinc/10/29/13/173102913.db2.gz NJOUSDSNCFSJBY-UWVGGRQHSA-N 1 2 228.292 -0.388 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC000074773156 173102912 /nfs/dbraw/zinc/10/29/12/173102912.db2.gz NJOUSDSNCFSJBY-UWVGGRQHSA-N 1 2 228.292 -0.388 20 0 BBADLO CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCCO1 ZINC000074916987 359135297 /nfs/dbraw/zinc/13/52/97/359135297.db2.gz POPNKMVEOLIQKT-NSHDSACASA-N 1 2 242.319 -0.044 20 0 BBADLO CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCCO1 ZINC000074916989 359135095 /nfs/dbraw/zinc/13/50/95/359135095.db2.gz POPNKMVEOLIQKT-LLVKDONJSA-N 1 2 242.319 -0.044 20 0 BBADLO COC(=O)C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000075012227 353315492 /nfs/dbraw/zinc/31/54/92/353315492.db2.gz HIYKPQVJSBSOGM-UHFFFAOYSA-N 1 2 226.276 -0.239 20 0 BBADLO Cc1[nH]c(C(=O)NCc2nnnn2C2CC2)c[nH+]1 ZINC000075201404 342884352 /nfs/dbraw/zinc/88/43/52/342884352.db2.gz VQTUGQROPZOAHT-UHFFFAOYSA-N 1 2 247.262 -0.030 20 0 BBADLO CC(C)Cn1cc[nH+]c1CNS(N)(=O)=O ZINC000075489415 384275961 /nfs/dbraw/zinc/27/59/61/384275961.db2.gz QRCZTTKNPTWLMA-UHFFFAOYSA-N 1 2 232.309 -0.168 20 0 BBADLO COCCCNC(=O)NCC[NH+]1CCOCC1 ZINC000075529825 488058463 /nfs/dbraw/zinc/05/84/63/488058463.db2.gz IZJOCCKSGAAIGY-UHFFFAOYSA-N 1 2 245.323 -0.346 20 0 BBADLO CC[C@@H](O)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)OC ZINC000075591065 359178774 /nfs/dbraw/zinc/17/87/74/359178774.db2.gz CJMYXVQHZBVRJC-BDAKNGLRSA-N 1 2 244.291 -0.879 20 0 BBADLO CC[C@@H](O)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)OC ZINC000075591065 359178771 /nfs/dbraw/zinc/17/87/71/359178771.db2.gz CJMYXVQHZBVRJC-BDAKNGLRSA-N 1 2 244.291 -0.879 20 0 BBADLO CC[C@@H](O)C[N@H+]1CCNC(=O)[C@H]1CC(=O)OC ZINC000075591068 359178879 /nfs/dbraw/zinc/17/88/79/359178879.db2.gz CJMYXVQHZBVRJC-RKDXNWHRSA-N 1 2 244.291 -0.879 20 0 BBADLO CC[C@@H](O)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)OC ZINC000075591068 359178877 /nfs/dbraw/zinc/17/88/77/359178877.db2.gz CJMYXVQHZBVRJC-RKDXNWHRSA-N 1 2 244.291 -0.879 20 0 BBADLO CC(C)OC(=O)CC[N@H+]1CCNC(=O)C1 ZINC000075592800 167155251 /nfs/dbraw/zinc/15/52/51/167155251.db2.gz GDLCBNHIMXLCSK-UHFFFAOYSA-N 1 2 214.265 -0.240 20 0 BBADLO CC(C)OC(=O)CC[N@@H+]1CCNC(=O)C1 ZINC000075592800 167155249 /nfs/dbraw/zinc/15/52/49/167155249.db2.gz GDLCBNHIMXLCSK-UHFFFAOYSA-N 1 2 214.265 -0.240 20 0 BBADLO C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)CCO1 ZINC000075609047 359180232 /nfs/dbraw/zinc/18/02/32/359180232.db2.gz JUSYWDYFWLJVAP-MRVPVSSYSA-N 1 2 227.264 -0.741 20 0 BBADLO C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)CCO1 ZINC000075609047 359180230 /nfs/dbraw/zinc/18/02/30/359180230.db2.gz JUSYWDYFWLJVAP-MRVPVSSYSA-N 1 2 227.264 -0.741 20 0 BBADLO C[C@H]1C[N@@H+](CCN2C(=O)CNC2=O)CCO1 ZINC000075609048 359179796 /nfs/dbraw/zinc/17/97/96/359179796.db2.gz JUSYWDYFWLJVAP-QMMMGPOBSA-N 1 2 227.264 -0.741 20 0 BBADLO C[C@H]1C[N@H+](CCN2C(=O)CNC2=O)CCO1 ZINC000075609048 359179792 /nfs/dbraw/zinc/17/97/92/359179792.db2.gz JUSYWDYFWLJVAP-QMMMGPOBSA-N 1 2 227.264 -0.741 20 0 BBADLO CC[C@@H]1C[N@@H+](CC(=O)N2CCNC2=O)CCO1 ZINC000075633616 488063958 /nfs/dbraw/zinc/06/39/58/488063958.db2.gz BLRMIEKWLFWVCW-SECBINFHSA-N 1 2 241.291 -0.351 20 0 BBADLO CC[C@@H]1C[N@H+](CC(=O)N2CCNC2=O)CCO1 ZINC000075633616 488063954 /nfs/dbraw/zinc/06/39/54/488063954.db2.gz BLRMIEKWLFWVCW-SECBINFHSA-N 1 2 241.291 -0.351 20 0 BBADLO CC[C@H]1C[N@@H+](CC(=O)N2CCNC2=O)CCO1 ZINC000075633617 488063751 /nfs/dbraw/zinc/06/37/51/488063751.db2.gz BLRMIEKWLFWVCW-VIFPVBQESA-N 1 2 241.291 -0.351 20 0 BBADLO CC[C@H]1C[N@H+](CC(=O)N2CCNC2=O)CCO1 ZINC000075633617 488063748 /nfs/dbraw/zinc/06/37/48/488063748.db2.gz BLRMIEKWLFWVCW-VIFPVBQESA-N 1 2 241.291 -0.351 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)[C@H](C)CO1 ZINC000075654918 344783422 /nfs/dbraw/zinc/78/34/22/344783422.db2.gz BAXGOJMEZLSOCB-RNFRBKRXSA-N 1 2 215.253 -0.710 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)[C@H](C)CO1 ZINC000075654918 344783420 /nfs/dbraw/zinc/78/34/20/344783420.db2.gz BAXGOJMEZLSOCB-RNFRBKRXSA-N 1 2 215.253 -0.710 20 0 BBADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)NC(N)=O ZINC000075654923 344783352 /nfs/dbraw/zinc/78/33/52/344783352.db2.gz BAXGOJMEZLSOCB-RQJHMYQMSA-N 1 2 215.253 -0.710 20 0 BBADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NC(N)=O ZINC000075654923 344783351 /nfs/dbraw/zinc/78/33/51/344783351.db2.gz BAXGOJMEZLSOCB-RQJHMYQMSA-N 1 2 215.253 -0.710 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)N2CCNC2=O)[C@H](C)CO1 ZINC000075655025 359188833 /nfs/dbraw/zinc/18/88/33/359188833.db2.gz DDERQTVEUQXINT-RKDXNWHRSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)N2CCNC2=O)[C@H](C)CO1 ZINC000075655025 359188829 /nfs/dbraw/zinc/18/88/29/359188829.db2.gz DDERQTVEUQXINT-RKDXNWHRSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N1CCNC1=O ZINC000075655026 359188253 /nfs/dbraw/zinc/18/82/53/359188253.db2.gz DDERQTVEUQXINT-BDAKNGLRSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N1CCNC1=O ZINC000075655026 359188249 /nfs/dbraw/zinc/18/82/49/359188249.db2.gz DDERQTVEUQXINT-BDAKNGLRSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000075665145 344783391 /nfs/dbraw/zinc/78/33/91/344783391.db2.gz GPWHNDMIZOFFGJ-ZJUUUORDSA-N 1 2 238.291 -0.936 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000075665145 344783389 /nfs/dbraw/zinc/78/33/89/344783389.db2.gz GPWHNDMIZOFFGJ-ZJUUUORDSA-N 1 2 238.291 -0.936 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000075665146 344783400 /nfs/dbraw/zinc/78/34/00/344783400.db2.gz GPWHNDMIZOFFGJ-UWVGGRQHSA-N 1 2 238.291 -0.936 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000075665146 344783399 /nfs/dbraw/zinc/78/33/99/344783399.db2.gz GPWHNDMIZOFFGJ-UWVGGRQHSA-N 1 2 238.291 -0.936 20 0 BBADLO CC(C)OC(=O)CC[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000075676779 359188904 /nfs/dbraw/zinc/18/89/04/359188904.db2.gz CDOZYKDZOMJOFR-VIFPVBQESA-N 1 2 244.291 -0.486 20 0 BBADLO CC(C)OC(=O)CC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000075676779 359188899 /nfs/dbraw/zinc/18/88/99/359188899.db2.gz CDOZYKDZOMJOFR-VIFPVBQESA-N 1 2 244.291 -0.486 20 0 BBADLO CC(C)OC(=O)CC[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000075676781 359188203 /nfs/dbraw/zinc/18/82/03/359188203.db2.gz CDOZYKDZOMJOFR-SECBINFHSA-N 1 2 244.291 -0.486 20 0 BBADLO CC(C)OC(=O)CC[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000075676781 359188201 /nfs/dbraw/zinc/18/82/01/359188201.db2.gz CDOZYKDZOMJOFR-SECBINFHSA-N 1 2 244.291 -0.486 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1CCCN1CCOCC1 ZINC000075685428 325306958 /nfs/dbraw/zinc/30/69/58/325306958.db2.gz KIHAEIYLGDVRKD-LLVKDONJSA-N 1 2 241.335 -0.471 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1CCCN1CCOCC1 ZINC000075685428 325306955 /nfs/dbraw/zinc/30/69/55/325306955.db2.gz KIHAEIYLGDVRKD-LLVKDONJSA-N 1 2 241.335 -0.471 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1CCCN1CCOCC1 ZINC000075685429 325306813 /nfs/dbraw/zinc/30/68/13/325306813.db2.gz KIHAEIYLGDVRKD-NSHDSACASA-N 1 2 241.335 -0.471 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1CCCN1CCOCC1 ZINC000075685429 325306809 /nfs/dbraw/zinc/30/68/09/325306809.db2.gz KIHAEIYLGDVRKD-NSHDSACASA-N 1 2 241.335 -0.471 20 0 BBADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCOC(C)(C)C1 ZINC000075701038 384050363 /nfs/dbraw/zinc/05/03/63/384050363.db2.gz BRSILZDMGDEEFV-ZETCQYMHSA-N 1 2 229.280 -0.319 20 0 BBADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCOC(C)(C)C1 ZINC000075701038 384050359 /nfs/dbraw/zinc/05/03/59/384050359.db2.gz BRSILZDMGDEEFV-ZETCQYMHSA-N 1 2 229.280 -0.319 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CCOC(C)(C)C1 ZINC000075701046 176568773 /nfs/dbraw/zinc/56/87/73/176568773.db2.gz BRSILZDMGDEEFV-SSDOTTSWSA-N 1 2 229.280 -0.319 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCOC(C)(C)C1 ZINC000075701046 176568772 /nfs/dbraw/zinc/56/87/72/176568772.db2.gz BRSILZDMGDEEFV-SSDOTTSWSA-N 1 2 229.280 -0.319 20 0 BBADLO CC1(C)C[N@@H+](CC(=O)N2CCNC2=O)CCO1 ZINC000075701129 359205055 /nfs/dbraw/zinc/20/50/55/359205055.db2.gz IRWSURXRNQRSKZ-UHFFFAOYSA-N 1 2 241.291 -0.351 20 0 BBADLO CC1(C)C[N@H+](CC(=O)N2CCNC2=O)CCO1 ZINC000075701129 359205053 /nfs/dbraw/zinc/20/50/53/359205053.db2.gz IRWSURXRNQRSKZ-UHFFFAOYSA-N 1 2 241.291 -0.351 20 0 BBADLO CC[C@@H](O)C[N@@H+](C)CCS(C)(=O)=O ZINC000075712530 643474100 /nfs/dbraw/zinc/47/41/00/643474100.db2.gz XOEUNOZOJBJDNJ-MRVPVSSYSA-N 1 2 209.311 -0.266 20 0 BBADLO CC[C@@H](O)C[N@H+](C)CCS(C)(=O)=O ZINC000075712530 643474093 /nfs/dbraw/zinc/47/40/93/643474093.db2.gz XOEUNOZOJBJDNJ-MRVPVSSYSA-N 1 2 209.311 -0.266 20 0 BBADLO CC[C@@H](O)C[N@@H+](CCOC)CC(=O)OC ZINC000075742807 325308578 /nfs/dbraw/zinc/30/85/78/325308578.db2.gz SESLBJGPJBWKFK-SECBINFHSA-N 1 2 219.281 -0.121 20 0 BBADLO CC[C@@H](O)C[N@H+](CCOC)CC(=O)OC ZINC000075742807 325308574 /nfs/dbraw/zinc/30/85/74/325308574.db2.gz SESLBJGPJBWKFK-SECBINFHSA-N 1 2 219.281 -0.121 20 0 BBADLO CC(=O)N[C@H](C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000075848494 353329829 /nfs/dbraw/zinc/32/98/29/353329829.db2.gz GUWRCSVQSOGALN-DTWKUNHWSA-N 1 2 238.291 -0.088 20 0 BBADLO CC(=O)N[C@H](C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000075848495 344784955 /nfs/dbraw/zinc/78/49/55/344784955.db2.gz GUWRCSVQSOGALN-RKDXNWHRSA-N 1 2 238.291 -0.088 20 0 BBADLO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000075848497 344785131 /nfs/dbraw/zinc/78/51/31/344785131.db2.gz GUWRCSVQSOGALN-IUCAKERBSA-N 1 2 238.291 -0.088 20 0 BBADLO CC(=O)N[C@@H](C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000075848499 344785042 /nfs/dbraw/zinc/78/50/42/344785042.db2.gz GUWRCSVQSOGALN-BDAKNGLRSA-N 1 2 238.291 -0.088 20 0 BBADLO C[C@@H](C(N)=O)[NH+]1CCN(Cc2ccon2)CC1 ZINC000075857182 386107178 /nfs/dbraw/zinc/10/71/78/386107178.db2.gz QFXVPZLEDHZYAF-VIFPVBQESA-N 1 2 238.291 -0.334 20 0 BBADLO C[C@H](C(N)=O)[NH+]1CCN(Cc2ccon2)CC1 ZINC000075857183 386107068 /nfs/dbraw/zinc/10/70/68/386107068.db2.gz QFXVPZLEDHZYAF-SECBINFHSA-N 1 2 238.291 -0.334 20 0 BBADLO CCO[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000075875867 344785862 /nfs/dbraw/zinc/78/58/62/344785862.db2.gz IXNNZWLQZRRSST-JTQLQIEISA-N 1 2 230.308 -0.140 20 0 BBADLO CCO[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000075875868 344785859 /nfs/dbraw/zinc/78/58/59/344785859.db2.gz IXNNZWLQZRRSST-SNVBAGLBSA-N 1 2 230.308 -0.140 20 0 BBADLO COC(=O)C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000075890081 344786501 /nfs/dbraw/zinc/78/65/01/344786501.db2.gz PJKULXWZFHOLFH-LLVKDONJSA-N 1 2 242.319 -0.044 20 0 BBADLO COC(=O)C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000075890081 344786499 /nfs/dbraw/zinc/78/64/99/344786499.db2.gz PJKULXWZFHOLFH-LLVKDONJSA-N 1 2 242.319 -0.044 20 0 BBADLO COC(=O)C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000075890082 344786549 /nfs/dbraw/zinc/78/65/49/344786549.db2.gz PJKULXWZFHOLFH-NSHDSACASA-N 1 2 242.319 -0.044 20 0 BBADLO COC(=O)C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000075890082 344786548 /nfs/dbraw/zinc/78/65/48/344786548.db2.gz PJKULXWZFHOLFH-NSHDSACASA-N 1 2 242.319 -0.044 20 0 BBADLO CN(C)c1[nH+]cccc1CNS(N)(=O)=O ZINC000075923972 488087857 /nfs/dbraw/zinc/08/78/57/488087857.db2.gz QVXCWEGQGQZYGF-UHFFFAOYSA-N 1 2 230.293 -0.559 20 0 BBADLO CC[C@@H](CO)N1CC[NH+](CCCO)CC1 ZINC000075961468 344789555 /nfs/dbraw/zinc/78/95/55/344789555.db2.gz IPXOPOBXVDNXAV-NSHDSACASA-N 1 2 216.325 -0.243 20 0 BBADLO CC[C@H](CO)N1CC[NH+](CCCO)CC1 ZINC000075961471 344789244 /nfs/dbraw/zinc/78/92/44/344789244.db2.gz IPXOPOBXVDNXAV-LLVKDONJSA-N 1 2 216.325 -0.243 20 0 BBADLO NS(=O)(=O)NCCNc1cccc[nH+]1 ZINC000076106021 344794532 /nfs/dbraw/zinc/79/45/32/344794532.db2.gz IJQHBLXCHBADLL-UHFFFAOYSA-N 1 2 216.266 -0.713 20 0 BBADLO CC(=O)NCCC[N@H+](C)CCS(C)(=O)=O ZINC000076302728 641807098 /nfs/dbraw/zinc/80/70/98/641807098.db2.gz KEDQXECVEXPYOK-UHFFFAOYSA-N 1 2 236.337 -0.511 20 0 BBADLO CC(=O)NCCC[N@@H+](C)CCS(C)(=O)=O ZINC000076302728 641807092 /nfs/dbraw/zinc/80/70/92/641807092.db2.gz KEDQXECVEXPYOK-UHFFFAOYSA-N 1 2 236.337 -0.511 20 0 BBADLO C[N@@H+](CCn1cccn1)CCS(C)(=O)=O ZINC000076303142 398235226 /nfs/dbraw/zinc/23/52/26/398235226.db2.gz YVAKCYRPBXYICX-UHFFFAOYSA-N 1 2 231.321 -0.141 20 0 BBADLO C[N@H+](CCn1cccn1)CCS(C)(=O)=O ZINC000076303142 398235224 /nfs/dbraw/zinc/23/52/24/398235224.db2.gz YVAKCYRPBXYICX-UHFFFAOYSA-N 1 2 231.321 -0.141 20 0 BBADLO CCNC(=O)CC[N@@H+](C)CCS(C)(=O)=O ZINC000076304864 641807632 /nfs/dbraw/zinc/80/76/32/641807632.db2.gz YOWWCEOGADVQKO-UHFFFAOYSA-N 1 2 236.337 -0.511 20 0 BBADLO CCNC(=O)CC[N@H+](C)CCS(C)(=O)=O ZINC000076304864 641807629 /nfs/dbraw/zinc/80/76/29/641807629.db2.gz YOWWCEOGADVQKO-UHFFFAOYSA-N 1 2 236.337 -0.511 20 0 BBADLO CC[C@@H]1C(=O)NCCN1CC[NH+]1CCOCC1 ZINC000076420364 344802657 /nfs/dbraw/zinc/80/26/57/344802657.db2.gz QUESBCQOFHMRAC-LLVKDONJSA-N 1 2 241.335 -0.471 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCN1CCOCC1 ZINC000076420364 344802656 /nfs/dbraw/zinc/80/26/56/344802656.db2.gz QUESBCQOFHMRAC-LLVKDONJSA-N 1 2 241.335 -0.471 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@H+]1CCN1CCOCC1 ZINC000076420364 344802655 /nfs/dbraw/zinc/80/26/55/344802655.db2.gz QUESBCQOFHMRAC-LLVKDONJSA-N 1 2 241.335 -0.471 20 0 BBADLO CC[C@H]1C(=O)NCCN1CC[NH+]1CCOCC1 ZINC000076420368 344802662 /nfs/dbraw/zinc/80/26/62/344802662.db2.gz QUESBCQOFHMRAC-NSHDSACASA-N 1 2 241.335 -0.471 20 0 BBADLO CC[C@H]1C(=O)NCC[N@@H+]1CCN1CCOCC1 ZINC000076420368 344802661 /nfs/dbraw/zinc/80/26/61/344802661.db2.gz QUESBCQOFHMRAC-NSHDSACASA-N 1 2 241.335 -0.471 20 0 BBADLO CC[C@H]1C(=O)NCC[N@H+]1CCN1CCOCC1 ZINC000076420368 344802660 /nfs/dbraw/zinc/80/26/60/344802660.db2.gz QUESBCQOFHMRAC-NSHDSACASA-N 1 2 241.335 -0.471 20 0 BBADLO CCOCC[N@@H+](C)CCS(C)(=O)=O ZINC000076493036 641814220 /nfs/dbraw/zinc/81/42/20/641814220.db2.gz BCUFBBSYYDSVKJ-UHFFFAOYSA-N 1 2 209.311 -0.001 20 0 BBADLO CCOCC[N@H+](C)CCS(C)(=O)=O ZINC000076493036 641814216 /nfs/dbraw/zinc/81/42/16/641814216.db2.gz BCUFBBSYYDSVKJ-UHFFFAOYSA-N 1 2 209.311 -0.001 20 0 BBADLO CN(C)C(=O)C[N@@H+](C)CC(=O)N(C)CC1CC1 ZINC000076651951 344805201 /nfs/dbraw/zinc/80/52/01/344805201.db2.gz INUNNSWOQYXKRL-UHFFFAOYSA-N 1 2 241.335 -0.125 20 0 BBADLO CN(C)C(=O)C[N@H+](C)CC(=O)N(C)CC1CC1 ZINC000076651951 344805200 /nfs/dbraw/zinc/80/52/00/344805200.db2.gz INUNNSWOQYXKRL-UHFFFAOYSA-N 1 2 241.335 -0.125 20 0 BBADLO C[N@@H+](CCN1CCCC1=O)CC(=O)NC1CC1 ZINC000076652681 537962161 /nfs/dbraw/zinc/96/21/61/537962161.db2.gz OYSADJGWYRGTSX-UHFFFAOYSA-N 1 2 239.319 -0.181 20 0 BBADLO C[N@H+](CCN1CCCC1=O)CC(=O)NC1CC1 ZINC000076652681 537962158 /nfs/dbraw/zinc/96/21/58/537962158.db2.gz OYSADJGWYRGTSX-UHFFFAOYSA-N 1 2 239.319 -0.181 20 0 BBADLO C[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000076678517 384521570 /nfs/dbraw/zinc/52/15/70/384521570.db2.gz YIFBHPDXIQTSNG-UHFFFAOYSA-N 1 2 211.265 -0.961 20 0 BBADLO COC[C@H](C)[N@@H+](C)CCS(C)(=O)=O ZINC000076710955 641822199 /nfs/dbraw/zinc/82/21/99/641822199.db2.gz OCRVKKDZTFOBJB-QMMMGPOBSA-N 1 2 209.311 -0.002 20 0 BBADLO COC[C@H](C)[N@H+](C)CCS(C)(=O)=O ZINC000076710955 641822197 /nfs/dbraw/zinc/82/21/97/641822197.db2.gz OCRVKKDZTFOBJB-QMMMGPOBSA-N 1 2 209.311 -0.002 20 0 BBADLO COC[C@@H](C)[N@@H+](C)CCS(C)(=O)=O ZINC000076710958 643831020 /nfs/dbraw/zinc/83/10/20/643831020.db2.gz OCRVKKDZTFOBJB-MRVPVSSYSA-N 1 2 209.311 -0.002 20 0 BBADLO COC[C@@H](C)[N@H+](C)CCS(C)(=O)=O ZINC000076710958 643831016 /nfs/dbraw/zinc/83/10/16/643831016.db2.gz OCRVKKDZTFOBJB-MRVPVSSYSA-N 1 2 209.311 -0.002 20 0 BBADLO O=C(C[N@H+](CCO)C1CC1)Nc1nncs1 ZINC000076992861 344812181 /nfs/dbraw/zinc/81/21/81/344812181.db2.gz CBUHSUHARQIIIZ-UHFFFAOYSA-N 1 2 242.304 -0.067 20 0 BBADLO O=C(C[N@@H+](CCO)C1CC1)Nc1nncs1 ZINC000076992861 344812179 /nfs/dbraw/zinc/81/21/79/344812179.db2.gz CBUHSUHARQIIIZ-UHFFFAOYSA-N 1 2 242.304 -0.067 20 0 BBADLO Cc1ncc(C(=O)N2CC[NH+](C)CC2)c(N)n1 ZINC000077005698 180126579 /nfs/dbraw/zinc/12/65/79/180126579.db2.gz RZQLEGGWVOVXES-UHFFFAOYSA-N 1 2 235.291 -0.245 20 0 BBADLO CC[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000077022594 135057468 /nfs/dbraw/zinc/05/74/68/135057468.db2.gz YCDHQUOPMAGOLT-UHFFFAOYSA-N 1 2 225.292 -0.571 20 0 BBADLO CC[NH+]1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000077169113 169982203 /nfs/dbraw/zinc/98/22/03/169982203.db2.gz JRQKSTRRLZISRP-UHFFFAOYSA-N 1 2 239.319 -0.227 20 0 BBADLO CNC(=O)CN(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000077187860 370398505 /nfs/dbraw/zinc/39/85/05/370398505.db2.gz WKZVZXMLRDEUGK-UHFFFAOYSA-N 1 2 246.274 -0.156 20 0 BBADLO Cc1nnc(N2CC[NH+](CCO)CC2)s1 ZINC000077210518 384065263 /nfs/dbraw/zinc/06/52/63/384065263.db2.gz RQIGOKJUJZOYGS-UHFFFAOYSA-N 1 2 228.321 -0.039 20 0 BBADLO Cn1cc(CC[N@H+]2CCNC(=O)C2)cn1 ZINC000077247195 344813902 /nfs/dbraw/zinc/81/39/02/344813902.db2.gz GEPKMQJCLIOXKI-UHFFFAOYSA-N 1 2 208.265 -0.606 20 0 BBADLO Cn1cc(CC[N@@H+]2CCNC(=O)C2)cn1 ZINC000077247195 344813900 /nfs/dbraw/zinc/81/39/00/344813900.db2.gz GEPKMQJCLIOXKI-UHFFFAOYSA-N 1 2 208.265 -0.606 20 0 BBADLO NC(=O)C[N@@H+](CCS(N)(=O)=O)C1CCCC1 ZINC000077266050 711464925 /nfs/dbraw/zinc/46/49/25/711464925.db2.gz DVOIXSYDFNQSSF-UHFFFAOYSA-N 1 2 249.336 -0.995 20 0 BBADLO NC(=O)C[N@H+](CCS(N)(=O)=O)C1CCCC1 ZINC000077266050 711464924 /nfs/dbraw/zinc/46/49/24/711464924.db2.gz DVOIXSYDFNQSSF-UHFFFAOYSA-N 1 2 249.336 -0.995 20 0 BBADLO CC[N@@H+](CCS(N)(=O)=O)Cc1cnn(C)c1 ZINC000077275125 711464951 /nfs/dbraw/zinc/46/49/51/711464951.db2.gz ZCEUXAZXEIJAFC-UHFFFAOYSA-N 1 2 246.336 -0.470 20 0 BBADLO CC[N@H+](CCS(N)(=O)=O)Cc1cnn(C)c1 ZINC000077275125 711464950 /nfs/dbraw/zinc/46/49/50/711464950.db2.gz ZCEUXAZXEIJAFC-UHFFFAOYSA-N 1 2 246.336 -0.470 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1CCc1cnn(C)c1 ZINC000077278150 384209337 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/nfs/dbraw/zinc/81/52/64/344815264.db2.gz ZWPDZONSQYWCQN-UHFFFAOYSA-N 1 2 200.238 -0.149 20 0 BBADLO OCCC[N@H+](CCO)Cc1ccon1 ZINC000077285554 344815263 /nfs/dbraw/zinc/81/52/63/344815263.db2.gz ZWPDZONSQYWCQN-UHFFFAOYSA-N 1 2 200.238 -0.149 20 0 BBADLO CC[C@@H]1C[N@@H+](CCS(N)(=O)=O)C[C@H](C)O1 ZINC000077286192 641844375 /nfs/dbraw/zinc/84/43/75/641844375.db2.gz DCYFBSQNRDVVBU-DTWKUNHWSA-N 1 2 236.337 -0.226 20 0 BBADLO CC[C@@H]1C[N@H+](CCS(N)(=O)=O)C[C@H](C)O1 ZINC000077286192 641844372 /nfs/dbraw/zinc/84/43/72/641844372.db2.gz DCYFBSQNRDVVBU-DTWKUNHWSA-N 1 2 236.337 -0.226 20 0 BBADLO CC[C@H]1C[N@@H+](CCS(N)(=O)=O)C[C@H](C)O1 ZINC000077286195 641844497 /nfs/dbraw/zinc/84/44/97/641844497.db2.gz DCYFBSQNRDVVBU-IUCAKERBSA-N 1 2 236.337 -0.226 20 0 BBADLO CC[C@H]1C[N@H+](CCS(N)(=O)=O)C[C@H](C)O1 ZINC000077286195 641844494 /nfs/dbraw/zinc/84/44/94/641844494.db2.gz DCYFBSQNRDVVBU-IUCAKERBSA-N 1 2 236.337 -0.226 20 0 BBADLO CCNC(=O)NC(=O)C[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000077365631 191006111 /nfs/dbraw/zinc/00/61/11/191006111.db2.gz RKTGLQNDEBAHHM-DTORHVGOSA-N 1 2 243.307 -0.059 20 0 BBADLO CCNC(=O)NC(=O)C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000077365631 191006109 /nfs/dbraw/zinc/00/61/09/191006109.db2.gz RKTGLQNDEBAHHM-DTORHVGOSA-N 1 2 243.307 -0.059 20 0 BBADLO CCNC(=O)NC(=O)C[NH+]1[C@@H](C)COC[C@@H]1C ZINC000077365634 384066294 /nfs/dbraw/zinc/06/62/94/384066294.db2.gz RKTGLQNDEBAHHM-IUCAKERBSA-N 1 2 243.307 -0.059 20 0 BBADLO CCNC(=O)NC(=O)C[NH+]1[C@H](C)COC[C@H]1C ZINC000077365637 384068098 /nfs/dbraw/zinc/06/80/98/384068098.db2.gz RKTGLQNDEBAHHM-RKDXNWHRSA-N 1 2 243.307 -0.059 20 0 BBADLO C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)NC(N)=O ZINC000077369782 384066775 /nfs/dbraw/zinc/06/67/75/384066775.db2.gz MRHOVTFOKRCFHL-KNVOCYPGSA-N 1 2 215.253 -0.710 20 0 BBADLO C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)NC(N)=O ZINC000077369782 384066769 /nfs/dbraw/zinc/06/67/69/384066769.db2.gz MRHOVTFOKRCFHL-KNVOCYPGSA-N 1 2 215.253 -0.710 20 0 BBADLO C[C@H]1COC[C@H](C)[NH+]1CC(=O)NC(N)=O ZINC000077369784 384066332 /nfs/dbraw/zinc/06/63/32/384066332.db2.gz MRHOVTFOKRCFHL-BQBZGAKWSA-N 1 2 215.253 -0.710 20 0 BBADLO C[C@@H]1COC[C@@H](C)[NH+]1CC(=O)NC(N)=O ZINC000077369786 384066611 /nfs/dbraw/zinc/06/66/11/384066611.db2.gz MRHOVTFOKRCFHL-RNFRBKRXSA-N 1 2 215.253 -0.710 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000077370302 384067047 /nfs/dbraw/zinc/06/70/47/384067047.db2.gz HRGAPTKTBXAURK-OCAPTIKFSA-N 1 2 229.280 -0.449 20 0 BBADLO CNC(=O)NC(=O)C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000077370302 384067040 /nfs/dbraw/zinc/06/70/40/384067040.db2.gz HRGAPTKTBXAURK-OCAPTIKFSA-N 1 2 229.280 -0.449 20 0 BBADLO CNC(=O)NC(=O)C[NH+]1[C@@H](C)COC[C@@H]1C ZINC000077370303 384066691 /nfs/dbraw/zinc/06/66/91/384066691.db2.gz HRGAPTKTBXAURK-YUMQZZPRSA-N 1 2 229.280 -0.449 20 0 BBADLO CNC(=O)NC(=O)C[NH+]1[C@H](C)COC[C@H]1C ZINC000077370305 384068229 /nfs/dbraw/zinc/06/82/29/384068229.db2.gz HRGAPTKTBXAURK-HTQZYQBOSA-N 1 2 229.280 -0.449 20 0 BBADLO 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CCNC(=O)C[N@@H+](C)CCN1CCCC1=O ZINC000077377615 370414775 /nfs/dbraw/zinc/41/47/75/370414775.db2.gz ZEHNVYXIIOJHSW-UHFFFAOYSA-N 1 2 227.308 -0.323 20 0 BBADLO CCNC(=O)C[N@H+](C)CCN1CCCC1=O ZINC000077377615 370414772 /nfs/dbraw/zinc/41/47/72/370414772.db2.gz ZEHNVYXIIOJHSW-UHFFFAOYSA-N 1 2 227.308 -0.323 20 0 BBADLO CCNC(=O)C[N@@H+](C)CC(=O)N(C)CC1CC1 ZINC000077377830 370414702 /nfs/dbraw/zinc/41/47/02/370414702.db2.gz NYGJNHJSNQNDCT-UHFFFAOYSA-N 1 2 241.335 -0.077 20 0 BBADLO CCNC(=O)C[N@H+](C)CC(=O)N(C)CC1CC1 ZINC000077377830 370414697 /nfs/dbraw/zinc/41/46/97/370414697.db2.gz NYGJNHJSNQNDCT-UHFFFAOYSA-N 1 2 241.335 -0.077 20 0 BBADLO COCC[N@@H+](C)Cc1nc(N)nc(N(C)C)n1 ZINC000077408860 135065722 /nfs/dbraw/zinc/06/57/22/135065722.db2.gz YAEXULFDVXBKQX-UHFFFAOYSA-N 1 2 240.311 -0.402 20 0 BBADLO COCC[N@H+](C)Cc1nc(N)nc(N(C)C)n1 ZINC000077408860 135065720 /nfs/dbraw/zinc/06/57/20/135065720.db2.gz YAEXULFDVXBKQX-UHFFFAOYSA-N 1 2 240.311 -0.402 20 0 BBADLO CC[C@H](O)C[N@@H+](CCOC)CC(=O)OC 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ZINC000077930820 536837574 /nfs/dbraw/zinc/83/75/74/536837574.db2.gz PXHAGQXVRCLJIN-JTQLQIEISA-N 1 2 245.323 -0.347 20 0 BBADLO Cc1nc(NCCN2C(=O)CNC2=O)cc[nH+]1 ZINC000078257701 344839418 /nfs/dbraw/zinc/83/94/18/344839418.db2.gz XJPZHUMGRSNVMR-UHFFFAOYSA-N 1 2 235.247 -0.251 20 0 BBADLO O=C(N1CCOCC1)N1CC[NH+](CCO)CC1 ZINC000078297248 384062304 /nfs/dbraw/zinc/06/23/04/384062304.db2.gz YBOIOTCCVYGENS-UHFFFAOYSA-N 1 2 243.307 -0.952 20 0 BBADLO O=C(NCC[NH+]1CCOCC1)N1CCC1 ZINC000078312205 135118734 /nfs/dbraw/zinc/11/87/34/135118734.db2.gz HSKCSLCLCVLCMC-UHFFFAOYSA-N 1 2 213.281 -0.266 20 0 BBADLO NC(=O)[C@@H]1CCC[N@H+]1CC(=O)NC1CCCC1 ZINC000078315382 384061193 /nfs/dbraw/zinc/06/11/93/384061193.db2.gz JVEBAOXBOOQMNL-JTQLQIEISA-N 1 2 239.319 -0.005 20 0 BBADLO NC(=O)[C@@H]1CCC[N@@H+]1CC(=O)NC1CCCC1 ZINC000078315382 384061187 /nfs/dbraw/zinc/06/11/87/384061187.db2.gz JVEBAOXBOOQMNL-JTQLQIEISA-N 1 2 239.319 -0.005 20 0 BBADLO C[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CCO1 ZINC000078344807 343368312 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C[N@H+]1CCO[C@H](C(=O)Nc2cc[nH]n2)C1 ZINC000081301611 173106901 /nfs/dbraw/zinc/10/69/01/173106901.db2.gz ZLBXRJGUBZDLES-ZETCQYMHSA-N 1 2 210.237 -0.321 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)Nc2cc[nH]n2)C1 ZINC000081301611 173106899 /nfs/dbraw/zinc/10/68/99/173106899.db2.gz ZLBXRJGUBZDLES-ZETCQYMHSA-N 1 2 210.237 -0.321 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)Nc2cc[nH]n2)C1 ZINC000081301612 173101260 /nfs/dbraw/zinc/10/12/60/173101260.db2.gz ZLBXRJGUBZDLES-SSDOTTSWSA-N 1 2 210.237 -0.321 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cc[nH]n2)C1 ZINC000081301612 173101258 /nfs/dbraw/zinc/10/12/58/173101258.db2.gz ZLBXRJGUBZDLES-SSDOTTSWSA-N 1 2 210.237 -0.321 20 0 BBADLO CC[C@@H]1COCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081409786 388575800 /nfs/dbraw/zinc/57/58/00/388575800.db2.gz UGLZAXQCLSACPO-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO CC[C@@H]1COCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081409786 388575796 /nfs/dbraw/zinc/57/57/96/388575796.db2.gz UGLZAXQCLSACPO-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 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242.319 -0.046 20 0 BBADLO Cc1c[nH]nc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081410337 631747497 /nfs/dbraw/zinc/74/74/97/631747497.db2.gz SOBJDRBWVBUXJB-QMMMGPOBSA-N 1 2 224.264 -0.013 20 0 BBADLO Cc1c[nH]nc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081410337 631747494 /nfs/dbraw/zinc/74/74/94/631747494.db2.gz SOBJDRBWVBUXJB-QMMMGPOBSA-N 1 2 224.264 -0.013 20 0 BBADLO Cc1c[nH]nc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081410338 712729947 /nfs/dbraw/zinc/72/99/47/712729947.db2.gz SOBJDRBWVBUXJB-MRVPVSSYSA-N 1 2 224.264 -0.013 20 0 BBADLO Cc1c[nH]nc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081410338 712729945 /nfs/dbraw/zinc/72/99/45/712729945.db2.gz SOBJDRBWVBUXJB-MRVPVSSYSA-N 1 2 224.264 -0.013 20 0 BBADLO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)c1cnn(C)c1 ZINC000081443465 173104462 /nfs/dbraw/zinc/10/44/62/173104462.db2.gz QVEXEAXFFGTAGS-JTQLQIEISA-N 1 2 238.291 -0.287 20 0 BBADLO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)c1cnn(C)c1 ZINC000081443465 173104458 /nfs/dbraw/zinc/10/44/58/173104458.db2.gz 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CHPXQQIANQKRTQ-LLVKDONJSA-N 1 2 242.319 -0.044 20 0 BBADLO COCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000081566262 344555889 /nfs/dbraw/zinc/55/58/89/344555889.db2.gz RNVUKDGRZAJBLI-JTQLQIEISA-N 1 2 228.292 -0.434 20 0 BBADLO COCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000081566269 344555840 /nfs/dbraw/zinc/55/58/40/344555840.db2.gz RNVUKDGRZAJBLI-SNVBAGLBSA-N 1 2 228.292 -0.434 20 0 BBADLO C[NH+]1CCN(S(=O)(=O)C2CC2)CC1 ZINC000081568087 135387938 /nfs/dbraw/zinc/38/79/38/135387938.db2.gz ZUYKPEOQYGDSJK-UHFFFAOYSA-N 1 2 204.295 -0.274 20 0 BBADLO CCS(=O)(=O)NCc1[nH+]ccn1C ZINC000081571547 384187529 /nfs/dbraw/zinc/18/75/29/384187529.db2.gz KTQGDODQVBLPAU-UHFFFAOYSA-N 1 2 203.267 -0.141 20 0 BBADLO CCS(=O)(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000081571802 343419367 /nfs/dbraw/zinc/41/93/67/343419367.db2.gz WIGLNWIEBZPKGV-JTQLQIEISA-N 1 2 248.348 -0.257 20 0 BBADLO CCS(=O)(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000081571804 343419349 /nfs/dbraw/zinc/41/93/49/343419349.db2.gz WIGLNWIEBZPKGV-SNVBAGLBSA-N 1 2 248.348 -0.257 20 0 BBADLO CS(=O)(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000081571807 343419504 /nfs/dbraw/zinc/41/95/04/343419504.db2.gz UATMCXNHRLMVCW-VIFPVBQESA-N 1 2 234.321 -0.648 20 0 BBADLO CS(=O)(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000081571808 343419498 /nfs/dbraw/zinc/41/94/98/343419498.db2.gz UATMCXNHRLMVCW-SECBINFHSA-N 1 2 234.321 -0.648 20 0 BBADLO Cc1nc(C(=O)N2CC[NH+](C)CC2)no1 ZINC000081573772 643496935 /nfs/dbraw/zinc/49/69/35/643496935.db2.gz YYMDQTQKDMBDME-UHFFFAOYSA-N 1 2 210.237 -0.234 20 0 BBADLO CC(C)[NH2+]Cc1cn(Cc2cn[nH]n2)nn1 ZINC000082010933 711904379 /nfs/dbraw/zinc/90/43/79/711904379.db2.gz NKZZEOCKTPRLNK-UHFFFAOYSA-N 1 2 221.268 -0.058 20 0 BBADLO C/C=C/C(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000082192520 644360189 /nfs/dbraw/zinc/36/01/89/644360189.db2.gz WCVDCMAMLBTEBT-ORAHPGNNSA-N 1 2 211.309 -0.076 20 0 BBADLO C/C=C/C(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000082192520 644360182 /nfs/dbraw/zinc/36/01/82/644360182.db2.gz WCVDCMAMLBTEBT-ORAHPGNNSA-N 1 2 211.309 -0.076 20 0 BBADLO C/C=C/C(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000082192521 644361416 /nfs/dbraw/zinc/36/14/16/644361416.db2.gz WCVDCMAMLBTEBT-YEZKRMTDSA-N 1 2 211.309 -0.076 20 0 BBADLO C/C=C/C(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000082192521 644361415 /nfs/dbraw/zinc/36/14/15/644361415.db2.gz WCVDCMAMLBTEBT-YEZKRMTDSA-N 1 2 211.309 -0.076 20 0 BBADLO O=C(c1cn[nH]n1)N1CC[NH+](C2CC2)CC1 ZINC000082254408 384220690 /nfs/dbraw/zinc/22/06/90/384220690.db2.gz DPSWSYSWRIARHA-UHFFFAOYSA-N 1 2 221.264 -0.275 20 0 BBADLO CN(C)C(=O)N1CC[NH+](CCO)CC1 ZINC000082255590 491140892 /nfs/dbraw/zinc/14/08/92/491140892.db2.gz ZGKPUQZPJFBZKF-UHFFFAOYSA-N 1 2 201.270 -0.722 20 0 BBADLO CCOC(=O)CC(=O)NCc1[nH+]ccn1C ZINC000082264699 347320005 /nfs/dbraw/zinc/32/00/05/347320005.db2.gz HIOWUBQHDDWEAK-UHFFFAOYSA-N 1 2 225.248 -0.011 20 0 BBADLO CCOC(=O)CC(=O)NCC[NH+]1CCOCC1 ZINC000082264723 347319840 /nfs/dbraw/zinc/31/98/40/347319840.db2.gz RNRJPKCFMAPEII-UHFFFAOYSA-N 1 2 244.291 -0.612 20 0 BBADLO O=C(NCC[NH+]1CCOCC1)c1ncc[nH]1 ZINC000082266856 487586177 /nfs/dbraw/zinc/58/61/77/487586177.db2.gz IQOUHYXPSICGSH-UHFFFAOYSA-N 1 2 224.264 -0.528 20 0 BBADLO O=C(c1ncc[nH]1)N1CC[NH+](CCO)CC1 ZINC000082266857 487586319 /nfs/dbraw/zinc/58/63/19/487586319.db2.gz RCLPQOCTGQDBKJ-UHFFFAOYSA-N 1 2 224.264 -0.840 20 0 BBADLO C[NH+]1CCN(C(=O)c2cncnc2)CC1 ZINC000082267296 173073456 /nfs/dbraw/zinc/07/34/56/173073456.db2.gz PEYRLQDIVYFEMT-UHFFFAOYSA-N 1 2 206.249 -0.136 20 0 BBADLO Cn1ccnc1C(=O)N1CC[NH+](C)CC1 ZINC000082267729 643287602 /nfs/dbraw/zinc/28/76/02/643287602.db2.gz CCNSQAASIIYOFS-UHFFFAOYSA-N 1 2 208.265 -0.192 20 0 BBADLO Cn1cc[nH+]c1CNC(=O)Cn1cccn1 ZINC000082267962 344152923 /nfs/dbraw/zinc/15/29/23/344152923.db2.gz ZWGYDWFNZWZGTR-UHFFFAOYSA-N 1 2 219.248 -0.067 20 0 BBADLO CC(=O)NCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000082268153 187281611 /nfs/dbraw/zinc/28/16/11/187281611.db2.gz BHXFIIAUBXZKHM-UHFFFAOYSA-N 1 2 210.237 -0.416 20 0 BBADLO Cc1[nH]c(C(=O)NCCOCCO)c[nH+]1 ZINC000082268156 384656683 /nfs/dbraw/zinc/65/66/83/384656683.db2.gz TWGIVDFCXZXXLF-UHFFFAOYSA-N 1 2 213.237 -0.543 20 0 BBADLO Cc1[nH]c(C(=O)N[C@@H]2CCC(=O)NC2=O)c[nH+]1 ZINC000082268203 388020745 /nfs/dbraw/zinc/02/07/45/388020745.db2.gz VVVYWUFNNUNBIB-ZCFIWIBFSA-N 1 2 236.231 -0.747 20 0 BBADLO Cc1[nH]c(C(=O)N[C@H]2CCC(=O)NC2=O)c[nH+]1 ZINC000082268204 388020924 /nfs/dbraw/zinc/02/09/24/388020924.db2.gz VVVYWUFNNUNBIB-LURJTMIESA-N 1 2 236.231 -0.747 20 0 BBADLO Cc1ncc(C(=O)NCC[NH+]2CCOCC2)[nH]1 ZINC000082268222 384656526 /nfs/dbraw/zinc/65/65/26/384656526.db2.gz YHZUIULLOMCHQU-UHFFFAOYSA-N 1 2 238.291 -0.220 20 0 BBADLO Cc1nc(C(=O)N2CC[NH+](CCO)CC2)c[nH]1 ZINC000082268223 384657135 /nfs/dbraw/zinc/65/71/35/384657135.db2.gz XBXXPHIQMUDOEG-UHFFFAOYSA-N 1 2 238.291 -0.532 20 0 BBADLO COCC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000082269003 384219181 /nfs/dbraw/zinc/21/91/81/384219181.db2.gz MIWRFCKWUMWZGK-MRVPVSSYSA-N 1 2 202.254 -0.920 20 0 BBADLO COCC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000082269003 384219177 /nfs/dbraw/zinc/21/91/77/384219177.db2.gz MIWRFCKWUMWZGK-MRVPVSSYSA-N 1 2 202.254 -0.920 20 0 BBADLO COCC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000082269004 384220822 /nfs/dbraw/zinc/22/08/22/384220822.db2.gz MIWRFCKWUMWZGK-QMMMGPOBSA-N 1 2 202.254 -0.920 20 0 BBADLO COCC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000082269004 384220817 /nfs/dbraw/zinc/22/08/17/384220817.db2.gz MIWRFCKWUMWZGK-QMMMGPOBSA-N 1 2 202.254 -0.920 20 0 BBADLO O=C(c1nccs1)N1CC[NH+](CCO)CC1 ZINC000082269461 491141601 /nfs/dbraw/zinc/14/16/01/491141601.db2.gz QOTOXCNWUFWMJJ-UHFFFAOYSA-N 1 2 241.316 -0.107 20 0 BBADLO O=C(c1csnn1)N1CC[NH+](CCO)CC1 ZINC000082269592 643290067 /nfs/dbraw/zinc/29/00/67/643290067.db2.gz GRRAZIXBFGCBLJ-UHFFFAOYSA-N 1 2 242.304 -0.712 20 0 BBADLO COc1ncc(C(=O)N2CC[NH+](C)CC2)cn1 ZINC000082270909 644365690 /nfs/dbraw/zinc/36/56/90/644365690.db2.gz LCKIAUNHQSMJPF-UHFFFAOYSA-N 1 2 236.275 -0.127 20 0 BBADLO CCOC(=O)CC(=O)NCCn1cc[nH+]c1 ZINC000082289965 170195899 /nfs/dbraw/zinc/19/58/99/170195899.db2.gz XKIMOVSSEIIURH-UHFFFAOYSA-N 1 2 225.248 -0.048 20 0 BBADLO Cc1c[nH]nc1C(=O)NCC[NH+]1CCOCC1 ZINC000082303184 491142728 /nfs/dbraw/zinc/14/27/28/491142728.db2.gz WAFRVBPGEREGML-UHFFFAOYSA-N 1 2 238.291 -0.220 20 0 BBADLO O=C(NCC[NH+]1CCOCC1)c1cccnn1 ZINC000082303261 325536678 /nfs/dbraw/zinc/53/66/78/325536678.db2.gz TXMHWJCCVCQVCF-UHFFFAOYSA-N 1 2 236.275 -0.461 20 0 BBADLO O=C(NCC[NH+]1CCOCC1)[C@H]1CCCOC1 ZINC000082303283 323075466 /nfs/dbraw/zinc/07/54/66/323075466.db2.gz FVAABQUSRHJLQV-NSHDSACASA-N 1 2 242.319 -0.139 20 0 BBADLO O=C(NCC[NH+]1CCOCC1)[C@@H]1CCCOC1 ZINC000082303284 323075424 /nfs/dbraw/zinc/07/54/24/323075424.db2.gz FVAABQUSRHJLQV-LLVKDONJSA-N 1 2 242.319 -0.139 20 0 BBADLO Cn1cncc1C(=O)NCC[NH+]1CCOCC1 ZINC000082303309 323075462 /nfs/dbraw/zinc/07/54/62/323075462.db2.gz WPHJRNVULINVHW-UHFFFAOYSA-N 1 2 238.291 -0.518 20 0 BBADLO C[NH+]1CCN(C(=O)c2cccnn2)CC1 ZINC000082303448 388612208 /nfs/dbraw/zinc/61/22/08/388612208.db2.gz BICPKHGKDADFLM-UHFFFAOYSA-N 1 2 206.249 -0.136 20 0 BBADLO Cn1cncc1C(=O)N1CC[NH+](C)CC1 ZINC000082304175 173073461 /nfs/dbraw/zinc/07/34/61/173073461.db2.gz PQSVVPFEOMWGQB-UHFFFAOYSA-N 1 2 208.265 -0.192 20 0 BBADLO CC(=O)N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000082304739 388612744 /nfs/dbraw/zinc/61/27/44/388612744.db2.gz BAENLCNEACEEQM-UHFFFAOYSA-N 1 2 236.275 -0.426 20 0 BBADLO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000082310243 384222398 /nfs/dbraw/zinc/22/23/98/384222398.db2.gz YCVVCSRKHRZLMA-RKDXNWHRSA-N 1 2 246.332 -0.616 20 0 BBADLO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000082310243 384222395 /nfs/dbraw/zinc/22/23/95/384222395.db2.gz YCVVCSRKHRZLMA-RKDXNWHRSA-N 1 2 246.332 -0.616 20 0 BBADLO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000082310245 384222751 /nfs/dbraw/zinc/22/27/51/384222751.db2.gz YCVVCSRKHRZLMA-BDAKNGLRSA-N 1 2 246.332 -0.616 20 0 BBADLO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000082310245 384222743 /nfs/dbraw/zinc/22/27/43/384222743.db2.gz YCVVCSRKHRZLMA-BDAKNGLRSA-N 1 2 246.332 -0.616 20 0 BBADLO Cn1ncc2c1nc[nH+]c2SC[C@H](O)CO ZINC000082431675 388034057 /nfs/dbraw/zinc/03/40/57/388034057.db2.gz JVVSRUMHSBHMFA-ZCFIWIBFSA-N 1 2 240.288 -0.191 20 0 BBADLO Cn1ncc2c1nc[nH+]c2SC[C@@H](O)CO ZINC000082431677 388034515 /nfs/dbraw/zinc/03/45/15/388034515.db2.gz JVVSRUMHSBHMFA-LURJTMIESA-N 1 2 240.288 -0.191 20 0 BBADLO O=C(N1CCCC1)N1CC[NH+](CCO)CC1 ZINC000082432415 345055654 /nfs/dbraw/zinc/05/56/54/345055654.db2.gz QSUSWLBMBBYASD-UHFFFAOYSA-N 1 2 227.308 -0.188 20 0 BBADLO COC(=O)CC[N@H+]1CCNC(=O)[C@H]1C ZINC000082475615 343444351 /nfs/dbraw/zinc/44/43/51/343444351.db2.gz QINXJNVKPDRSOD-SSDOTTSWSA-N 1 2 200.238 -0.630 20 0 BBADLO COC(=O)CC[N@@H+]1CCNC(=O)[C@H]1C ZINC000082475615 343444350 /nfs/dbraw/zinc/44/43/50/343444350.db2.gz QINXJNVKPDRSOD-SSDOTTSWSA-N 1 2 200.238 -0.630 20 0 BBADLO COC(=O)CC[N@H+]1CCNC(=O)[C@@H]1C ZINC000082475616 343444415 /nfs/dbraw/zinc/44/44/15/343444415.db2.gz QINXJNVKPDRSOD-ZETCQYMHSA-N 1 2 200.238 -0.630 20 0 BBADLO COC(=O)CC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000082475616 343444414 /nfs/dbraw/zinc/44/44/14/343444414.db2.gz QINXJNVKPDRSOD-ZETCQYMHSA-N 1 2 200.238 -0.630 20 0 BBADLO CCOC(=O)CC[N@H+]1CCNC(=O)[C@@H]1C ZINC000082475617 343444404 /nfs/dbraw/zinc/44/44/04/343444404.db2.gz MSZUKFKOMSMEQB-QMMMGPOBSA-N 1 2 214.265 -0.240 20 0 BBADLO CCOC(=O)CC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000082475617 343444403 /nfs/dbraw/zinc/44/44/03/343444403.db2.gz MSZUKFKOMSMEQB-QMMMGPOBSA-N 1 2 214.265 -0.240 20 0 BBADLO CCOC(=O)CC[N@H+]1CCNC(=O)[C@H]1C ZINC000082475618 343444300 /nfs/dbraw/zinc/44/43/00/343444300.db2.gz MSZUKFKOMSMEQB-MRVPVSSYSA-N 1 2 214.265 -0.240 20 0 BBADLO CCOC(=O)CC[N@@H+]1CCNC(=O)[C@H]1C ZINC000082475618 343444299 /nfs/dbraw/zinc/44/42/99/343444299.db2.gz MSZUKFKOMSMEQB-MRVPVSSYSA-N 1 2 214.265 -0.240 20 0 BBADLO COC(=O)CCC[N@H+]1CCNC(=O)[C@H]1C ZINC000082475619 343444398 /nfs/dbraw/zinc/44/43/98/343444398.db2.gz UVPKBQLGJVTHMO-MRVPVSSYSA-N 1 2 214.265 -0.240 20 0 BBADLO COC(=O)CCC[N@@H+]1CCNC(=O)[C@H]1C ZINC000082475619 343444397 /nfs/dbraw/zinc/44/43/97/343444397.db2.gz UVPKBQLGJVTHMO-MRVPVSSYSA-N 1 2 214.265 -0.240 20 0 BBADLO COC(=O)CCC[N@H+]1CCNC(=O)[C@@H]1C ZINC000082475620 343444389 /nfs/dbraw/zinc/44/43/89/343444389.db2.gz UVPKBQLGJVTHMO-QMMMGPOBSA-N 1 2 214.265 -0.240 20 0 BBADLO COC(=O)CCC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000082475620 343444388 /nfs/dbraw/zinc/44/43/88/343444388.db2.gz UVPKBQLGJVTHMO-QMMMGPOBSA-N 1 2 214.265 -0.240 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)OC ZINC000082476755 343444449 /nfs/dbraw/zinc/44/44/49/343444449.db2.gz PEXDOJYLZBXFLM-MRVPVSSYSA-N 1 2 214.265 -0.240 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@H+]1CCC(=O)OC ZINC000082476755 343444448 /nfs/dbraw/zinc/44/44/48/343444448.db2.gz PEXDOJYLZBXFLM-MRVPVSSYSA-N 1 2 214.265 -0.240 20 0 BBADLO CC[C@H]1C(=O)NCC[N@@H+]1CCC(=O)OC ZINC000082476756 343444228 /nfs/dbraw/zinc/44/42/28/343444228.db2.gz PEXDOJYLZBXFLM-QMMMGPOBSA-N 1 2 214.265 -0.240 20 0 BBADLO 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ZINC000082548866 188138446 /nfs/dbraw/zinc/13/84/46/188138446.db2.gz BANSJLIUCHRHEC-UHFFFAOYSA-N 1 2 237.303 -0.225 20 0 BBADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000082667488 345667310 /nfs/dbraw/zinc/66/73/10/345667310.db2.gz DONBKKMHNHJHLV-JGVFFNPUSA-N 1 2 214.265 -0.194 20 0 BBADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000082667489 345667394 /nfs/dbraw/zinc/66/73/94/345667394.db2.gz DONBKKMHNHJHLV-HTQZYQBOSA-N 1 2 214.265 -0.194 20 0 BBADLO COC(=O)[C@H](C)[NH2+][C@H]1CCCNC(=O)C1 ZINC000082667490 345667459 /nfs/dbraw/zinc/66/74/59/345667459.db2.gz DONBKKMHNHJHLV-YUMQZZPRSA-N 1 2 214.265 -0.194 20 0 BBADLO COC(=O)[C@@H](C)[NH2+][C@H]1CCCNC(=O)C1 ZINC000082667491 345667172 /nfs/dbraw/zinc/66/71/72/345667172.db2.gz DONBKKMHNHJHLV-SFYZADRCSA-N 1 2 214.265 -0.194 20 0 BBADLO Cn1ncc(C(=O)N2CC[NH+](C)CC2)c1N ZINC000082697726 173073637 /nfs/dbraw/zinc/07/36/37/173073637.db2.gz FMJZDCUXZDRZLL-UHFFFAOYSA-N 1 2 223.280 -0.610 20 0 BBADLO COC(=O)CC[N@H+]1CCN(C)C(=O)C1 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/nfs/dbraw/zinc/21/46/43/135214643.db2.gz VKLBTNAIEDOANG-UHFFFAOYSA-N 1 2 212.293 -0.032 20 0 BBADLO C[C@@H](C(=O)NC(N)=O)[NH+]1CC(O)(C2CC2)C1 ZINC000084376989 135214888 /nfs/dbraw/zinc/21/48/88/135214888.db2.gz WIOJBJGTXXZBPX-LURJTMIESA-N 1 2 227.264 -0.974 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[NH+]1CC(O)(C2CC2)C1 ZINC000084376990 384862753 /nfs/dbraw/zinc/86/27/53/384862753.db2.gz WIOJBJGTXXZBPX-ZCFIWIBFSA-N 1 2 227.264 -0.974 20 0 BBADLO C[C@@H](C(=O)N(C)C)[NH+]1CC(O)(C2CC2)C1 ZINC000084376991 384396039 /nfs/dbraw/zinc/39/60/39/384396039.db2.gz AESZUMSGNIJPKL-QMMMGPOBSA-N 1 2 212.293 -0.080 20 0 BBADLO C[C@H](C(=O)N(C)C)[NH+]1CC(O)(C2CC2)C1 ZINC000084376992 176557158 /nfs/dbraw/zinc/55/71/58/176557158.db2.gz AESZUMSGNIJPKL-MRVPVSSYSA-N 1 2 212.293 -0.080 20 0 BBADLO CCCNC(=O)C[NH+]1CC(O)(C2CC2)C1 ZINC000084377051 135214790 /nfs/dbraw/zinc/21/47/90/135214790.db2.gz COMBUVZNDAWHGC-UHFFFAOYSA-N 1 2 212.293 -0.031 20 0 BBADLO CCN(C)C(=O)C[NH+]1CC(O)(C2CC2)C1 ZINC000084377093 535717017 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WBIGCIFGKLCQOW-UHFFFAOYSA-N 1 2 204.270 -0.375 20 0 BBADLO COC(C[N@H+](C)CC(=O)N(C)C)OC ZINC000085351268 643747182 /nfs/dbraw/zinc/74/71/82/643747182.db2.gz WBIGCIFGKLCQOW-UHFFFAOYSA-N 1 2 204.270 -0.375 20 0 BBADLO CCNC(=O)C[N@@H+](C)CC(OC)OC ZINC000085351333 643747107 /nfs/dbraw/zinc/74/71/07/643747107.db2.gz XVTQZBHUOSYPLP-UHFFFAOYSA-N 1 2 204.270 -0.327 20 0 BBADLO CCNC(=O)C[N@H+](C)CC(OC)OC ZINC000085351333 643747105 /nfs/dbraw/zinc/74/71/05/643747105.db2.gz XVTQZBHUOSYPLP-UHFFFAOYSA-N 1 2 204.270 -0.327 20 0 BBADLO COC(C[N@@H+](C)CC(=O)NC1CC1)OC ZINC000085351334 643747539 /nfs/dbraw/zinc/74/75/39/643747539.db2.gz AGDLNPOOMPIHPJ-UHFFFAOYSA-N 1 2 216.281 -0.184 20 0 BBADLO COC(C[N@H+](C)CC(=O)NC1CC1)OC ZINC000085351334 643747536 /nfs/dbraw/zinc/74/75/36/643747536.db2.gz AGDLNPOOMPIHPJ-UHFFFAOYSA-N 1 2 216.281 -0.184 20 0 BBADLO COC(C[N@H+]1CCNC(=O)C1(C)C)OC ZINC000085351536 643749774 /nfs/dbraw/zinc/74/97/74/643749774.db2.gz BHHADEUZUSOGLQ-UHFFFAOYSA-N 1 2 216.281 -0.184 20 0 BBADLO COC(C[N@@H+]1CCNC(=O)C1(C)C)OC ZINC000085351536 643749770 /nfs/dbraw/zinc/74/97/70/643749770.db2.gz BHHADEUZUSOGLQ-UHFFFAOYSA-N 1 2 216.281 -0.184 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@@H+]1CC(OC)OC ZINC000085351542 643750160 /nfs/dbraw/zinc/75/01/60/643750160.db2.gz KZFJAGWZNDGFBX-MRVPVSSYSA-N 1 2 216.281 -0.184 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@H+]1CC(OC)OC ZINC000085351542 643750157 /nfs/dbraw/zinc/75/01/57/643750157.db2.gz KZFJAGWZNDGFBX-MRVPVSSYSA-N 1 2 216.281 -0.184 20 0 BBADLO CC[C@H]1C(=O)NCC[N@@H+]1CC(OC)OC ZINC000085351543 643749271 /nfs/dbraw/zinc/74/92/71/643749271.db2.gz KZFJAGWZNDGFBX-QMMMGPOBSA-N 1 2 216.281 -0.184 20 0 BBADLO CC[C@H]1C(=O)NCC[N@H+]1CC(OC)OC ZINC000085351543 643749270 /nfs/dbraw/zinc/74/92/70/643749270.db2.gz KZFJAGWZNDGFBX-QMMMGPOBSA-N 1 2 216.281 -0.184 20 0 BBADLO Nc1nsc(N2CC[NH+](CCO)CC2)n1 ZINC000085437908 384523553 /nfs/dbraw/zinc/52/35/53/384523553.db2.gz ZIROCZWXUGJITQ-UHFFFAOYSA-N 1 2 229.309 -0.765 20 0 BBADLO Cc1cc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)n[nH]1 ZINC000085507569 178145994 /nfs/dbraw/zinc/14/59/94/178145994.db2.gz SQWQUKQKAGPSRY-QMMMGPOBSA-N 1 2 224.264 -0.013 20 0 BBADLO Cc1cc(NC(=O)[C@@H]2C[N@H+](C)CCO2)n[nH]1 ZINC000085507569 178145991 /nfs/dbraw/zinc/14/59/91/178145991.db2.gz SQWQUKQKAGPSRY-QMMMGPOBSA-N 1 2 224.264 -0.013 20 0 BBADLO Cc1cc(NC(=O)[C@H]2C[N@@H+](C)CCO2)n[nH]1 ZINC000085507574 178149063 /nfs/dbraw/zinc/14/90/63/178149063.db2.gz SQWQUKQKAGPSRY-MRVPVSSYSA-N 1 2 224.264 -0.013 20 0 BBADLO Cc1cc(NC(=O)[C@H]2C[N@H+](C)CCO2)n[nH]1 ZINC000085507574 178149061 /nfs/dbraw/zinc/14/90/61/178149061.db2.gz SQWQUKQKAGPSRY-MRVPVSSYSA-N 1 2 224.264 -0.013 20 0 BBADLO C[C@H](O)CC[N@@H+](C)CCS(C)(=O)=O ZINC000085696164 643770321 /nfs/dbraw/zinc/77/03/21/643770321.db2.gz UXUYLVSEHNLAAQ-QMMMGPOBSA-N 1 2 209.311 -0.266 20 0 BBADLO C[C@H](O)CC[N@H+](C)CCS(C)(=O)=O ZINC000085696164 643770319 /nfs/dbraw/zinc/77/03/19/643770319.db2.gz UXUYLVSEHNLAAQ-QMMMGPOBSA-N 1 2 209.311 -0.266 20 0 BBADLO C[C@@H](O)CC[N@@H+](C)CCS(C)(=O)=O ZINC000085696166 643769228 /nfs/dbraw/zinc/76/92/28/643769228.db2.gz UXUYLVSEHNLAAQ-MRVPVSSYSA-N 1 2 209.311 -0.266 20 0 BBADLO C[C@@H](O)CC[N@H+](C)CCS(C)(=O)=O ZINC000085696166 643769225 /nfs/dbraw/zinc/76/92/25/643769225.db2.gz UXUYLVSEHNLAAQ-MRVPVSSYSA-N 1 2 209.311 -0.266 20 0 BBADLO Cc1nc(N2CCN([C@@H](C)C(N)=O)CC2)cc[nH+]1 ZINC000085704743 384959985 /nfs/dbraw/zinc/95/99/85/384959985.db2.gz XPADJTYSTAAAKY-VIFPVBQESA-N 1 2 249.318 -0.219 20 0 BBADLO Cc1nc(N2CCN([C@H](C)C(N)=O)CC2)cc[nH+]1 ZINC000085704745 384962251 /nfs/dbraw/zinc/96/22/51/384962251.db2.gz XPADJTYSTAAAKY-SECBINFHSA-N 1 2 249.318 -0.219 20 0 BBADLO O=C1C[N@@H+](CCC2OCCCO2)CCN1 ZINC000085705475 631462985 /nfs/dbraw/zinc/46/29/85/631462985.db2.gz DANQYIJHWIRKGL-UHFFFAOYSA-N 1 2 214.265 -0.429 20 0 BBADLO O=C1C[N@H+](CCC2OCCCO2)CCN1 ZINC000085705475 631462978 /nfs/dbraw/zinc/46/29/78/631462978.db2.gz DANQYIJHWIRKGL-UHFFFAOYSA-N 1 2 214.265 -0.429 20 0 BBADLO CN1CC[N@@H+](CCC2OCCCO2)CC1=O ZINC000085705756 643774252 /nfs/dbraw/zinc/77/42/52/643774252.db2.gz CMDMMULBUJHEPN-UHFFFAOYSA-N 1 2 228.292 -0.087 20 0 BBADLO CN1CC[N@H+](CCC2OCCCO2)CC1=O ZINC000085705756 643774247 /nfs/dbraw/zinc/77/42/47/643774247.db2.gz CMDMMULBUJHEPN-UHFFFAOYSA-N 1 2 228.292 -0.087 20 0 BBADLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000085825288 643806785 /nfs/dbraw/zinc/80/67/85/643806785.db2.gz LBQFBTDFWSEPCD-VIFPVBQESA-N 1 2 220.276 -0.021 20 0 BBADLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000085825288 643806781 /nfs/dbraw/zinc/80/67/81/643806781.db2.gz LBQFBTDFWSEPCD-VIFPVBQESA-N 1 2 220.276 -0.021 20 0 BBADLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000085825289 643807403 /nfs/dbraw/zinc/80/74/03/643807403.db2.gz LBQFBTDFWSEPCD-SECBINFHSA-N 1 2 220.276 -0.021 20 0 BBADLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000085825289 643807399 /nfs/dbraw/zinc/80/73/99/643807399.db2.gz LBQFBTDFWSEPCD-SECBINFHSA-N 1 2 220.276 -0.021 20 0 BBADLO 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384640055 /nfs/dbraw/zinc/64/00/55/384640055.db2.gz BAPTUAZPGAKWCE-LPEHRKFASA-N 1 2 230.308 -0.816 20 0 BBADLO Cc1nc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)oc1C ZINC000086331679 191148788 /nfs/dbraw/zinc/14/87/88/191148788.db2.gz MGGVMELFQIDHRS-DTORHVGOSA-N 1 2 212.249 -0.171 20 0 BBADLO Cc1nc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)oc1C ZINC000086331679 191148785 /nfs/dbraw/zinc/14/87/85/191148785.db2.gz MGGVMELFQIDHRS-DTORHVGOSA-N 1 2 212.249 -0.171 20 0 BBADLO Cc1nn(C)c(Cl)c1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000086331800 180351808 /nfs/dbraw/zinc/35/18/08/180351808.db2.gz MKSFTLCCKYTHJI-DTORHVGOSA-N 1 2 245.710 -0.081 20 0 BBADLO Cc1nn(C)c(Cl)c1C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000086331800 180351805 /nfs/dbraw/zinc/35/18/05/180351805.db2.gz MKSFTLCCKYTHJI-DTORHVGOSA-N 1 2 245.710 -0.081 20 0 BBADLO CCc1noc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000086331874 491060615 /nfs/dbraw/zinc/06/06/15/491060615.db2.gz DKOBMCUPSVCCAM-KNVOCYPGSA-N 1 2 213.237 -0.831 20 0 BBADLO 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384700448 /nfs/dbraw/zinc/70/04/48/384700448.db2.gz KGLJVNLHYFNSIG-WPRPVWTQSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCO[C@H](CO)C1 ZINC000086831590 384700442 /nfs/dbraw/zinc/70/04/42/384700442.db2.gz KGLJVNLHYFNSIG-WPRPVWTQSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@H](C(=O)NC1CC1)[N@H+]1CCO[C@H](CO)C1 ZINC000086831591 384702018 /nfs/dbraw/zinc/70/20/18/384702018.db2.gz KGLJVNLHYFNSIG-SCZZXKLOSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCO[C@H](CO)C1 ZINC000086831591 384702011 /nfs/dbraw/zinc/70/20/11/384702011.db2.gz KGLJVNLHYFNSIG-SCZZXKLOSA-N 1 2 228.292 -0.653 20 0 BBADLO CCOC(=O)CC[N@H+]1CCO[C@H](CO)C1 ZINC000086831654 535649847 /nfs/dbraw/zinc/64/98/47/535649847.db2.gz ZHRMGMSYOLNIRU-VIFPVBQESA-N 1 2 217.265 -0.367 20 0 BBADLO CCOC(=O)CC[N@@H+]1CCO[C@H](CO)C1 ZINC000086831654 535649842 /nfs/dbraw/zinc/64/98/42/535649842.db2.gz ZHRMGMSYOLNIRU-VIFPVBQESA-N 1 2 217.265 -0.367 20 0 BBADLO CCOC(=O)CC[N@H+]1CCO[C@@H](CO)C1 ZINC000086831655 135097801 /nfs/dbraw/zinc/09/78/01/135097801.db2.gz ZHRMGMSYOLNIRU-SECBINFHSA-N 1 2 217.265 -0.367 20 0 BBADLO CCOC(=O)CC[N@@H+]1CCO[C@@H](CO)C1 ZINC000086831655 135097800 /nfs/dbraw/zinc/09/78/00/135097800.db2.gz ZHRMGMSYOLNIRU-SECBINFHSA-N 1 2 217.265 -0.367 20 0 BBADLO COC(=O)CCC[N@H+]1CCO[C@H](CO)C1 ZINC000086831788 135097115 /nfs/dbraw/zinc/09/71/15/135097115.db2.gz ALBYQWOCMUISHX-VIFPVBQESA-N 1 2 217.265 -0.367 20 0 BBADLO COC(=O)CCC[N@@H+]1CCO[C@H](CO)C1 ZINC000086831788 135097113 /nfs/dbraw/zinc/09/71/13/135097113.db2.gz ALBYQWOCMUISHX-VIFPVBQESA-N 1 2 217.265 -0.367 20 0 BBADLO COC(=O)CCC[N@H+]1CCO[C@@H](CO)C1 ZINC000086831789 135097635 /nfs/dbraw/zinc/09/76/35/135097635.db2.gz ALBYQWOCMUISHX-SECBINFHSA-N 1 2 217.265 -0.367 20 0 BBADLO COC(=O)CCC[N@@H+]1CCO[C@@H](CO)C1 ZINC000086831789 135097633 /nfs/dbraw/zinc/09/76/33/135097633.db2.gz ALBYQWOCMUISHX-SECBINFHSA-N 1 2 217.265 -0.367 20 0 BBADLO Cn1cc[nH+]c1CN1CCO[C@H](CO)C1 ZINC000086831800 384702195 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COC(C[N@H+]1C[C@H](CO)OC[C@@H]1C)OC ZINC000088092849 641313539 /nfs/dbraw/zinc/31/35/39/641313539.db2.gz OPYNJTHFOINYSJ-DTWKUNHWSA-N 1 2 219.281 -0.313 20 0 BBADLO COC(C[N@@H+]1C[C@H](CO)OC[C@@H]1C)OC ZINC000088092849 641313533 /nfs/dbraw/zinc/31/35/33/641313533.db2.gz OPYNJTHFOINYSJ-DTWKUNHWSA-N 1 2 219.281 -0.313 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@H+]1C[C@H](O)C(F)(F)F ZINC000088093810 398007423 /nfs/dbraw/zinc/00/74/23/398007423.db2.gz BXRARGAUNKOPRE-CSMHCCOUSA-N 1 2 243.225 -0.009 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1C[C@H](O)C(F)(F)F ZINC000088093810 398007419 /nfs/dbraw/zinc/00/74/19/398007419.db2.gz BXRARGAUNKOPRE-CSMHCCOUSA-N 1 2 243.225 -0.009 20 0 BBADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1C[C@H](O)C(F)(F)F ZINC000088093812 398008235 /nfs/dbraw/zinc/00/82/35/398008235.db2.gz BXRARGAUNKOPRE-PRJMDXOYSA-N 1 2 243.225 -0.009 20 0 BBADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1C[C@H](O)C(F)(F)F ZINC000088093812 398008231 /nfs/dbraw/zinc/00/82/31/398008231.db2.gz BXRARGAUNKOPRE-PRJMDXOYSA-N 1 2 243.225 -0.009 20 0 BBADLO OC[C@@H]1CN(CCn2cc[nH+]c2)CCO1 ZINC000088094132 343705145 /nfs/dbraw/zinc/70/51/45/343705145.db2.gz NAICOMJCQJFUHU-JTQLQIEISA-N 1 2 211.265 -0.424 20 0 BBADLO OC[C@@H]1C[N@@H+](CCn2ccnc2)CCO1 ZINC000088094132 343705143 /nfs/dbraw/zinc/70/51/43/343705143.db2.gz NAICOMJCQJFUHU-JTQLQIEISA-N 1 2 211.265 -0.424 20 0 BBADLO OC[C@@H]1C[N@H+](CCn2ccnc2)CCO1 ZINC000088094132 343705141 /nfs/dbraw/zinc/70/51/41/343705141.db2.gz NAICOMJCQJFUHU-JTQLQIEISA-N 1 2 211.265 -0.424 20 0 BBADLO OC[C@H]1CN(CCn2cc[nH+]c2)CCO1 ZINC000088094133 351568241 /nfs/dbraw/zinc/56/82/41/351568241.db2.gz NAICOMJCQJFUHU-SNVBAGLBSA-N 1 2 211.265 -0.424 20 0 BBADLO OC[C@H]1C[N@@H+](CCn2ccnc2)CCO1 ZINC000088094133 351568240 /nfs/dbraw/zinc/56/82/40/351568240.db2.gz NAICOMJCQJFUHU-SNVBAGLBSA-N 1 2 211.265 -0.424 20 0 BBADLO OC[C@H]1C[N@H+](CCn2ccnc2)CCO1 ZINC000088094133 351568239 /nfs/dbraw/zinc/56/82/39/351568239.db2.gz NAICOMJCQJFUHU-SNVBAGLBSA-N 1 2 211.265 -0.424 20 0 BBADLO CCN(C)C(=O)C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000088094369 351568449 /nfs/dbraw/zinc/56/84/49/351568449.db2.gz HTGINTLGHKYAQM-VHSXEESVSA-N 1 2 230.308 -0.454 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000088094369 351568445 /nfs/dbraw/zinc/56/84/45/351568445.db2.gz HTGINTLGHKYAQM-VHSXEESVSA-N 1 2 230.308 -0.454 20 0 BBADLO CCN(C)C(=O)C[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000088094370 351568546 /nfs/dbraw/zinc/56/85/46/351568546.db2.gz HTGINTLGHKYAQM-UWVGGRQHSA-N 1 2 230.308 -0.454 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000088094370 351568543 /nfs/dbraw/zinc/56/85/43/351568543.db2.gz HTGINTLGHKYAQM-UWVGGRQHSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@H+]1CC(=O)N(C)C ZINC000088094393 343705707 /nfs/dbraw/zinc/70/57/07/343705707.db2.gz LCHPTVQLLGASEI-BDAKNGLRSA-N 1 2 216.281 -0.844 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CC(=O)N(C)C ZINC000088094393 343705704 /nfs/dbraw/zinc/70/57/04/343705704.db2.gz LCHPTVQLLGASEI-BDAKNGLRSA-N 1 2 216.281 -0.844 20 0 BBADLO C[C@H]1CO[C@H](CO)C[N@H+]1CC(=O)N(C)C ZINC000088094394 343705363 /nfs/dbraw/zinc/70/53/63/343705363.db2.gz LCHPTVQLLGASEI-IUCAKERBSA-N 1 2 216.281 -0.844 20 0 BBADLO C[C@H]1CO[C@H](CO)C[N@@H+]1CC(=O)N(C)C ZINC000088094394 343705362 /nfs/dbraw/zinc/70/53/62/343705362.db2.gz LCHPTVQLLGASEI-IUCAKERBSA-N 1 2 216.281 -0.844 20 0 BBADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CC(=O)N(C)C ZINC000088094395 343705551 /nfs/dbraw/zinc/70/55/51/343705551.db2.gz LCHPTVQLLGASEI-RKDXNWHRSA-N 1 2 216.281 -0.844 20 0 BBADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CC(=O)N(C)C ZINC000088094395 343705550 /nfs/dbraw/zinc/70/55/50/343705550.db2.gz LCHPTVQLLGASEI-RKDXNWHRSA-N 1 2 216.281 -0.844 20 0 BBADLO C[C@H]1CO[C@@H](CO)C[N@H+]1CC(=O)N(C)C ZINC000088094396 343705402 /nfs/dbraw/zinc/70/54/02/343705402.db2.gz LCHPTVQLLGASEI-DTWKUNHWSA-N 1 2 216.281 -0.844 20 0 BBADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CC(=O)N(C)C ZINC000088094396 343705401 /nfs/dbraw/zinc/70/54/01/343705401.db2.gz LCHPTVQLLGASEI-DTWKUNHWSA-N 1 2 216.281 -0.844 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@H+]1CC(=O)N1CCC1 ZINC000088094439 351597258 /nfs/dbraw/zinc/59/72/58/351597258.db2.gz GWUSNJSHOPHBQB-ZJUUUORDSA-N 1 2 228.292 -0.700 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CC(=O)N1CCC1 ZINC000088094439 351597255 /nfs/dbraw/zinc/59/72/55/351597255.db2.gz GWUSNJSHOPHBQB-ZJUUUORDSA-N 1 2 228.292 -0.700 20 0 BBADLO C[C@H]1CO[C@H](CO)C[N@H+]1CC(=O)N1CCC1 ZINC000088094440 136285699 /nfs/dbraw/zinc/28/56/99/136285699.db2.gz GWUSNJSHOPHBQB-UWVGGRQHSA-N 1 2 228.292 -0.700 20 0 BBADLO C[C@H]1CO[C@H](CO)C[N@@H+]1CC(=O)N1CCC1 ZINC000088094440 136285698 /nfs/dbraw/zinc/28/56/98/136285698.db2.gz GWUSNJSHOPHBQB-UWVGGRQHSA-N 1 2 228.292 -0.700 20 0 BBADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CC(=O)N1CCC1 ZINC000088094441 351597949 /nfs/dbraw/zinc/59/79/49/351597949.db2.gz GWUSNJSHOPHBQB-NXEZZACHSA-N 1 2 228.292 -0.700 20 0 BBADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CC(=O)N1CCC1 ZINC000088094441 351597946 /nfs/dbraw/zinc/59/79/46/351597946.db2.gz GWUSNJSHOPHBQB-NXEZZACHSA-N 1 2 228.292 -0.700 20 0 BBADLO C[C@H]1CO[C@@H](CO)C[N@H+]1CC(=O)N1CCC1 ZINC000088094442 351597228 /nfs/dbraw/zinc/59/72/28/351597228.db2.gz GWUSNJSHOPHBQB-VHSXEESVSA-N 1 2 228.292 -0.700 20 0 BBADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CC(=O)N1CCC1 ZINC000088094442 351597224 /nfs/dbraw/zinc/59/72/24/351597224.db2.gz GWUSNJSHOPHBQB-VHSXEESVSA-N 1 2 228.292 -0.700 20 0 BBADLO CC(C)NC(=O)C[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000088094505 136285696 /nfs/dbraw/zinc/28/56/96/136285696.db2.gz MJYSDOFANZQPTF-ZJUUUORDSA-N 1 2 230.308 -0.407 20 0 BBADLO CC(C)NC(=O)C[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000088094505 136285695 /nfs/dbraw/zinc/28/56/95/136285695.db2.gz MJYSDOFANZQPTF-ZJUUUORDSA-N 1 2 230.308 -0.407 20 0 BBADLO CC(C)NC(=O)C[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000088094506 351597906 /nfs/dbraw/zinc/59/79/06/351597906.db2.gz MJYSDOFANZQPTF-UWVGGRQHSA-N 1 2 230.308 -0.407 20 0 BBADLO CC(C)NC(=O)C[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000088094506 351597904 /nfs/dbraw/zinc/59/79/04/351597904.db2.gz MJYSDOFANZQPTF-UWVGGRQHSA-N 1 2 230.308 -0.407 20 0 BBADLO CC(C)NC(=O)C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000088094507 351597310 /nfs/dbraw/zinc/59/73/10/351597310.db2.gz MJYSDOFANZQPTF-NXEZZACHSA-N 1 2 230.308 -0.407 20 0 BBADLO CC(C)NC(=O)C[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000088094507 351597307 /nfs/dbraw/zinc/59/73/07/351597307.db2.gz MJYSDOFANZQPTF-NXEZZACHSA-N 1 2 230.308 -0.407 20 0 BBADLO CC(C)NC(=O)C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000088094508 351597743 /nfs/dbraw/zinc/59/77/43/351597743.db2.gz MJYSDOFANZQPTF-VHSXEESVSA-N 1 2 230.308 -0.407 20 0 BBADLO CC(C)NC(=O)C[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000088094508 351597741 /nfs/dbraw/zinc/59/77/41/351597741.db2.gz MJYSDOFANZQPTF-VHSXEESVSA-N 1 2 230.308 -0.407 20 0 BBADLO CCNC(=O)C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000088094585 351598638 /nfs/dbraw/zinc/59/86/38/351598638.db2.gz XACDPHNJIBCUTO-DTWKUNHWSA-N 1 2 216.281 -0.796 20 0 BBADLO CCNC(=O)C[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000088094585 351598635 /nfs/dbraw/zinc/59/86/35/351598635.db2.gz XACDPHNJIBCUTO-DTWKUNHWSA-N 1 2 216.281 -0.796 20 0 BBADLO CCNC(=O)C[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000088094586 343705419 /nfs/dbraw/zinc/70/54/19/343705419.db2.gz XACDPHNJIBCUTO-IUCAKERBSA-N 1 2 216.281 -0.796 20 0 BBADLO CCNC(=O)C[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000088094586 343705416 /nfs/dbraw/zinc/70/54/16/343705416.db2.gz XACDPHNJIBCUTO-IUCAKERBSA-N 1 2 216.281 -0.796 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@H+]1CC(=O)NC1CC1 ZINC000088094613 351598477 /nfs/dbraw/zinc/59/84/77/351598477.db2.gz LHEVOEQGGBDOEL-SCZZXKLOSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CC(=O)NC1CC1 ZINC000088094613 351598472 /nfs/dbraw/zinc/59/84/72/351598472.db2.gz LHEVOEQGGBDOEL-SCZZXKLOSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@H]1CO[C@H](CO)C[N@H+]1CC(=O)NC1CC1 ZINC000088094614 136285509 /nfs/dbraw/zinc/28/55/09/136285509.db2.gz LHEVOEQGGBDOEL-WPRPVWTQSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@H]1CO[C@H](CO)C[N@@H+]1CC(=O)NC1CC1 ZINC000088094614 136285508 /nfs/dbraw/zinc/28/55/08/136285508.db2.gz LHEVOEQGGBDOEL-WPRPVWTQSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CC(=O)NC1CC1 ZINC000088094615 136285438 /nfs/dbraw/zinc/28/54/38/136285438.db2.gz LHEVOEQGGBDOEL-PSASIEDQSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CC(=O)NC1CC1 ZINC000088094615 136285437 /nfs/dbraw/zinc/28/54/37/136285437.db2.gz LHEVOEQGGBDOEL-PSASIEDQSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@H]1CO[C@@H](CO)C[N@H+]1CC(=O)NC1CC1 ZINC000088094616 136285536 /nfs/dbraw/zinc/28/55/36/136285536.db2.gz LHEVOEQGGBDOEL-WCBMZHEXSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CC(=O)NC1CC1 ZINC000088094616 136285535 /nfs/dbraw/zinc/28/55/35/136285535.db2.gz LHEVOEQGGBDOEL-WCBMZHEXSA-N 1 2 228.292 -0.653 20 0 BBADLO Nc1ncccc1C[N@H+]1CCO[C@H](CO)C1 ZINC000088094645 351596711 /nfs/dbraw/zinc/59/67/11/351596711.db2.gz CJJNLQVLHDJYSG-JTQLQIEISA-N 1 2 223.276 -0.143 20 0 BBADLO Nc1ncccc1C[N@@H+]1CCO[C@H](CO)C1 ZINC000088094645 351596705 /nfs/dbraw/zinc/59/67/05/351596705.db2.gz CJJNLQVLHDJYSG-JTQLQIEISA-N 1 2 223.276 -0.143 20 0 BBADLO Nc1ncccc1C[N@H+]1CCO[C@@H](CO)C1 ZINC000088094646 351597351 /nfs/dbraw/zinc/59/73/51/351597351.db2.gz CJJNLQVLHDJYSG-SNVBAGLBSA-N 1 2 223.276 -0.143 20 0 BBADLO Nc1ncccc1C[N@@H+]1CCO[C@@H](CO)C1 ZINC000088094646 351597348 /nfs/dbraw/zinc/59/73/48/351597348.db2.gz CJJNLQVLHDJYSG-SNVBAGLBSA-N 1 2 223.276 -0.143 20 0 BBADLO Nc1cc(C[N@H+]2CCO[C@H](CO)C2)ccn1 ZINC000088094651 359937567 /nfs/dbraw/zinc/93/75/67/359937567.db2.gz PYRWGCHOQACYPU-JTQLQIEISA-N 1 2 223.276 -0.143 20 0 BBADLO Nc1cc(C[N@@H+]2CCO[C@H](CO)C2)ccn1 ZINC000088094651 359937564 /nfs/dbraw/zinc/93/75/64/359937564.db2.gz PYRWGCHOQACYPU-JTQLQIEISA-N 1 2 223.276 -0.143 20 0 BBADLO Nc1cc(C[N@H+]2CCO[C@@H](CO)C2)ccn1 ZINC000088094652 359937610 /nfs/dbraw/zinc/93/76/10/359937610.db2.gz PYRWGCHOQACYPU-SNVBAGLBSA-N 1 2 223.276 -0.143 20 0 BBADLO Nc1cc(C[N@@H+]2CCO[C@@H](CO)C2)ccn1 ZINC000088094652 359937607 /nfs/dbraw/zinc/93/76/07/359937607.db2.gz PYRWGCHOQACYPU-SNVBAGLBSA-N 1 2 223.276 -0.143 20 0 BBADLO Nc1ncc(C[N@H+]2CCO[C@H](CO)C2)s1 ZINC000088094655 343705579 /nfs/dbraw/zinc/70/55/79/343705579.db2.gz ONWRMWGULYMCJR-ZETCQYMHSA-N 1 2 229.305 -0.082 20 0 BBADLO Nc1ncc(C[N@@H+]2CCO[C@H](CO)C2)s1 ZINC000088094655 343705576 /nfs/dbraw/zinc/70/55/76/343705576.db2.gz ONWRMWGULYMCJR-ZETCQYMHSA-N 1 2 229.305 -0.082 20 0 BBADLO Nc1ncc(C[N@H+]2CCO[C@@H](CO)C2)s1 ZINC000088094656 343705398 /nfs/dbraw/zinc/70/53/98/343705398.db2.gz ONWRMWGULYMCJR-SSDOTTSWSA-N 1 2 229.305 -0.082 20 0 BBADLO Nc1ncc(C[N@@H+]2CCO[C@@H](CO)C2)s1 ZINC000088094656 343705397 /nfs/dbraw/zinc/70/53/97/343705397.db2.gz ONWRMWGULYMCJR-SSDOTTSWSA-N 1 2 229.305 -0.082 20 0 BBADLO CC[NH+]1CCN(C(=O)c2cn[nH]n2)CC1 ZINC000088330096 343723014 /nfs/dbraw/zinc/72/30/14/343723014.db2.gz UPHCQYJODYXUNJ-UHFFFAOYSA-N 1 2 209.253 -0.418 20 0 BBADLO O=C(NCCn1cc[nH+]c1)c1cnn[nH]1 ZINC000088342209 343724186 /nfs/dbraw/zinc/72/41/86/343724186.db2.gz LANWGLQAOSPMQT-UHFFFAOYSA-N 1 2 206.209 -0.569 20 0 BBADLO O=C(NCCn1cc[nH+]c1)c1cn[nH]n1 ZINC000088342209 343724184 /nfs/dbraw/zinc/72/41/84/343724184.db2.gz LANWGLQAOSPMQT-UHFFFAOYSA-N 1 2 206.209 -0.569 20 0 BBADLO O=C(NCCCn1cc[nH+]c1)c1cnn[nH]1 ZINC000088353647 359948811 /nfs/dbraw/zinc/94/88/11/359948811.db2.gz GYZKEKSYFLPBJV-UHFFFAOYSA-N 1 2 220.236 -0.179 20 0 BBADLO O=C(NCCCn1cc[nH+]c1)c1cn[nH]n1 ZINC000088353647 359948808 /nfs/dbraw/zinc/94/88/08/359948808.db2.gz GYZKEKSYFLPBJV-UHFFFAOYSA-N 1 2 220.236 -0.179 20 0 BBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cnn[nH]1 ZINC000088353793 359948256 /nfs/dbraw/zinc/94/82/56/359948256.db2.gz OUHDOJJODSCNOP-ZETCQYMHSA-N 1 2 220.236 -0.180 20 0 BBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cn[nH]n1 ZINC000088353793 359948252 /nfs/dbraw/zinc/94/82/52/359948252.db2.gz OUHDOJJODSCNOP-ZETCQYMHSA-N 1 2 220.236 -0.180 20 0 BBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cnn[nH]1 ZINC000088353795 359948110 /nfs/dbraw/zinc/94/81/10/359948110.db2.gz OUHDOJJODSCNOP-SSDOTTSWSA-N 1 2 220.236 -0.180 20 0 BBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cn[nH]n1 ZINC000088353795 359948104 /nfs/dbraw/zinc/94/81/04/359948104.db2.gz OUHDOJJODSCNOP-SSDOTTSWSA-N 1 2 220.236 -0.180 20 0 BBADLO CC(C)(C)NC(=O)CNC(=O)[C@H]1COCC[NH2+]1 ZINC000088357956 359948461 /nfs/dbraw/zinc/94/84/61/359948461.db2.gz KBISNNCKGLBQGO-MRVPVSSYSA-N 1 2 243.307 -0.994 20 0 BBADLO Cc1[nH+]ccn1CC[N@H+]1CCOC[C@@H]1C(=O)[O-] ZINC000088380888 368912519 /nfs/dbraw/zinc/91/25/19/368912519.db2.gz IPTOEHBECYHLDK-SNVBAGLBSA-N 1 2 239.275 -0.023 20 0 BBADLO Cc1[nH+]ccn1CC[N@@H+]1CCOC[C@@H]1C(=O)[O-] ZINC000088380888 368912517 /nfs/dbraw/zinc/91/25/17/368912517.db2.gz IPTOEHBECYHLDK-SNVBAGLBSA-N 1 2 239.275 -0.023 20 0 BBADLO Cc1[nH+]ccn1CC[N@H+]1CCOC[C@H]1C(=O)[O-] ZINC000088380890 368912603 /nfs/dbraw/zinc/91/26/03/368912603.db2.gz IPTOEHBECYHLDK-JTQLQIEISA-N 1 2 239.275 -0.023 20 0 BBADLO Cc1[nH+]ccn1CC[N@@H+]1CCOC[C@H]1C(=O)[O-] ZINC000088380890 368912601 /nfs/dbraw/zinc/91/26/01/368912601.db2.gz IPTOEHBECYHLDK-JTQLQIEISA-N 1 2 239.275 -0.023 20 0 BBADLO CCN1C[C@H](C(=O)NCc2c[nH]c[nH+]2)CC1=O ZINC000088753380 359975412 /nfs/dbraw/zinc/97/54/12/359975412.db2.gz PYOOJNRHEABLNF-MRVPVSSYSA-N 1 2 236.275 -0.106 20 0 BBADLO CCN1C[C@H](C(=O)NCc2c[nH+]c[nH]2)CC1=O ZINC000088753380 359975409 /nfs/dbraw/zinc/97/54/09/359975409.db2.gz PYOOJNRHEABLNF-MRVPVSSYSA-N 1 2 236.275 -0.106 20 0 BBADLO CCN1C[C@@H](C(=O)NCc2c[nH]c[nH+]2)CC1=O ZINC000088753381 359976366 /nfs/dbraw/zinc/97/63/66/359976366.db2.gz PYOOJNRHEABLNF-QMMMGPOBSA-N 1 2 236.275 -0.106 20 0 BBADLO CCN1C[C@@H](C(=O)NCc2c[nH+]c[nH]2)CC1=O ZINC000088753381 359976363 /nfs/dbraw/zinc/97/63/63/359976363.db2.gz PYOOJNRHEABLNF-QMMMGPOBSA-N 1 2 236.275 -0.106 20 0 BBADLO CCOC(=O)C[N@@H+](CC)CC1(CO)COC1 ZINC000089120695 345547742 /nfs/dbraw/zinc/54/77/42/345547742.db2.gz VRNRNZBJQXRSFO-UHFFFAOYSA-N 1 2 231.292 -0.120 20 0 BBADLO CCOC(=O)C[N@H+](CC)CC1(CO)COC1 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/nfs/dbraw/zinc/05/81/71/360058171.db2.gz QTTUAOBJRPPLDY-IUCAKERBSA-N 1 2 249.336 -0.967 20 0 BBADLO NS(=O)(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000090090050 360058397 /nfs/dbraw/zinc/05/83/97/360058397.db2.gz QTTUAOBJRPPLDY-DTWKUNHWSA-N 1 2 249.336 -0.967 20 0 BBADLO NS(=O)(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000090090050 360058393 /nfs/dbraw/zinc/05/83/93/360058393.db2.gz QTTUAOBJRPPLDY-DTWKUNHWSA-N 1 2 249.336 -0.967 20 0 BBADLO CS(=O)(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090201775 360063397 /nfs/dbraw/zinc/06/33/97/360063397.db2.gz DFRBOVINYUORBN-NXEZZACHSA-N 1 2 248.348 -0.211 20 0 BBADLO CS(=O)(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090201775 360063394 /nfs/dbraw/zinc/06/33/94/360063394.db2.gz DFRBOVINYUORBN-NXEZZACHSA-N 1 2 248.348 -0.211 20 0 BBADLO CS(=O)(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090201776 360063436 /nfs/dbraw/zinc/06/34/36/360063436.db2.gz DFRBOVINYUORBN-ZJUUUORDSA-N 1 2 248.348 -0.211 20 0 BBADLO CS(=O)(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090201776 360063433 /nfs/dbraw/zinc/06/34/33/360063433.db2.gz DFRBOVINYUORBN-ZJUUUORDSA-N 1 2 248.348 -0.211 20 0 BBADLO Cn1ncc2c1nc[nH+]c2NC[C@@](C)(O)CO ZINC000090287999 360070224 /nfs/dbraw/zinc/07/02/24/360070224.db2.gz MOIYQYFSPOSJSE-SNVBAGLBSA-N 1 2 237.263 -0.482 20 0 BBADLO Cn1ncc2c1nc[nH+]c2NC[C@](C)(O)CO ZINC000090288000 360070134 /nfs/dbraw/zinc/07/01/34/360070134.db2.gz MOIYQYFSPOSJSE-JTQLQIEISA-N 1 2 237.263 -0.482 20 0 BBADLO O=C1NCC[C@H]1[N@H+]1CCCC2(C1)OCCO2 ZINC000090561902 643685022 /nfs/dbraw/zinc/68/50/22/643685022.db2.gz LZASOJAQBZTTJQ-SECBINFHSA-N 1 2 226.276 -0.286 20 0 BBADLO O=C1NCC[C@H]1[N@@H+]1CCCC2(C1)OCCO2 ZINC000090561902 643685014 /nfs/dbraw/zinc/68/50/14/643685014.db2.gz LZASOJAQBZTTJQ-SECBINFHSA-N 1 2 226.276 -0.286 20 0 BBADLO O=C1NCC[C@@H]1[N@H+]1CCCC2(C1)OCCO2 ZINC000090561903 643684328 /nfs/dbraw/zinc/68/43/28/643684328.db2.gz LZASOJAQBZTTJQ-VIFPVBQESA-N 1 2 226.276 -0.286 20 0 BBADLO O=C1NCC[C@@H]1[N@@H+]1CCCC2(C1)OCCO2 ZINC000090561903 643684323 /nfs/dbraw/zinc/68/43/23/643684323.db2.gz LZASOJAQBZTTJQ-VIFPVBQESA-N 1 2 226.276 -0.286 20 0 BBADLO Cn1nc2n(c1=O)CC[N@H+](CC1CC1)C2 ZINC000090656574 360081755 /nfs/dbraw/zinc/08/17/55/360081755.db2.gz VOPOHNSSFUWSNM-UHFFFAOYSA-N 1 2 208.265 -0.193 20 0 BBADLO Cn1nc2n(c1=O)CC[N@@H+](CC1CC1)C2 ZINC000090656574 360081752 /nfs/dbraw/zinc/08/17/52/360081752.db2.gz VOPOHNSSFUWSNM-UHFFFAOYSA-N 1 2 208.265 -0.193 20 0 BBADLO CC[C@H](O)C[N@H+]1CCn2c(nn(C)c2=O)C1 ZINC000090658383 345574811 /nfs/dbraw/zinc/57/48/11/345574811.db2.gz NBBBYPJRCKROHN-QMMMGPOBSA-N 1 2 226.280 -0.832 20 0 BBADLO CC[C@H](O)C[N@@H+]1CCn2c(nn(C)c2=O)C1 ZINC000090658383 345574806 /nfs/dbraw/zinc/57/48/06/345574806.db2.gz NBBBYPJRCKROHN-QMMMGPOBSA-N 1 2 226.280 -0.832 20 0 BBADLO CC[C@@H](O)C[N@H+]1CCn2c(nn(C)c2=O)C1 ZINC000090658386 360082081 /nfs/dbraw/zinc/08/20/81/360082081.db2.gz NBBBYPJRCKROHN-MRVPVSSYSA-N 1 2 226.280 -0.832 20 0 BBADLO CC[C@@H](O)C[N@@H+]1CCn2c(nn(C)c2=O)C1 ZINC000090658386 360082078 /nfs/dbraw/zinc/08/20/78/360082078.db2.gz NBBBYPJRCKROHN-MRVPVSSYSA-N 1 2 226.280 -0.832 20 0 BBADLO COCCC[N@H+]1CCn2c(nn(C)c2=O)C1 ZINC000090658562 360081941 /nfs/dbraw/zinc/08/19/41/360081941.db2.gz JAILALLQRWSCME-UHFFFAOYSA-N 1 2 226.280 -0.566 20 0 BBADLO COCCC[N@@H+]1CCn2c(nn(C)c2=O)C1 ZINC000090658562 360081938 /nfs/dbraw/zinc/08/19/38/360081938.db2.gz JAILALLQRWSCME-UHFFFAOYSA-N 1 2 226.280 -0.566 20 0 BBADLO Cn1nc2n(c1=O)CC[N@H+](CC(C)(C)O)C2 ZINC000090662002 360081768 /nfs/dbraw/zinc/08/17/68/360081768.db2.gz XYMOXZTXPKFVOI-UHFFFAOYSA-N 1 2 226.280 -0.832 20 0 BBADLO Cn1nc2n(c1=O)CC[N@@H+](CC(C)(C)O)C2 ZINC000090662002 360081764 /nfs/dbraw/zinc/08/17/64/360081764.db2.gz XYMOXZTXPKFVOI-UHFFFAOYSA-N 1 2 226.280 -0.832 20 0 BBADLO COCCCC[N@H+]1CCn2c(nn(C)c2=O)C1 ZINC000090662108 360082687 /nfs/dbraw/zinc/08/26/87/360082687.db2.gz JVBOZGIVSSSVLF-UHFFFAOYSA-N 1 2 240.307 -0.176 20 0 BBADLO COCCCC[N@@H+]1CCn2c(nn(C)c2=O)C1 ZINC000090662108 360082682 /nfs/dbraw/zinc/08/26/82/360082682.db2.gz JVBOZGIVSSSVLF-UHFFFAOYSA-N 1 2 240.307 -0.176 20 0 BBADLO Cn1nc2n(c1=O)CC[N@H+](CCCCCO)C2 ZINC000090662348 345574348 /nfs/dbraw/zinc/57/43/48/345574348.db2.gz WVSFDKKBWGLPPU-UHFFFAOYSA-N 1 2 240.307 -0.440 20 0 BBADLO Cn1nc2n(c1=O)CC[N@@H+](CCCCCO)C2 ZINC000090662348 345574347 /nfs/dbraw/zinc/57/43/47/345574347.db2.gz WVSFDKKBWGLPPU-UHFFFAOYSA-N 1 2 240.307 -0.440 20 0 BBADLO Cn1nc2n(c1=O)CC[N@H+](CCCF)C2 ZINC000090678705 360082634 /nfs/dbraw/zinc/08/26/34/360082634.db2.gz DMCTXLSGKRUBPW-UHFFFAOYSA-N 1 2 214.244 -0.243 20 0 BBADLO Cn1nc2n(c1=O)CC[N@@H+](CCCF)C2 ZINC000090678705 360082629 /nfs/dbraw/zinc/08/26/29/360082629.db2.gz DMCTXLSGKRUBPW-UHFFFAOYSA-N 1 2 214.244 -0.243 20 0 BBADLO Cn1nc2n(c1=O)CC[N@H+](CCC(C)(C)O)C2 ZINC000090679661 345574321 /nfs/dbraw/zinc/57/43/21/345574321.db2.gz CSZFSEZBEWZKSW-UHFFFAOYSA-N 1 2 240.307 -0.442 20 0 BBADLO Cn1nc2n(c1=O)CC[N@@H+](CCC(C)(C)O)C2 ZINC000090679661 345574320 /nfs/dbraw/zinc/57/43/20/345574320.db2.gz CSZFSEZBEWZKSW-UHFFFAOYSA-N 1 2 240.307 -0.442 20 0 BBADLO CCCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000090698407 398110095 /nfs/dbraw/zinc/11/00/95/398110095.db2.gz HCMPJXYHIQQNQC-SNVBAGLBSA-N 1 2 211.309 -0.098 20 0 BBADLO CCCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000090698408 398110363 /nfs/dbraw/zinc/11/03/63/398110363.db2.gz HCMPJXYHIQQNQC-JTQLQIEISA-N 1 2 211.309 -0.098 20 0 BBADLO CC(C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000090698411 398110241 /nfs/dbraw/zinc/11/02/41/398110241.db2.gz IMGRXEUYXAQVLF-SNVBAGLBSA-N 1 2 211.309 -0.242 20 0 BBADLO CC(C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000090698412 398110405 /nfs/dbraw/zinc/11/04/05/398110405.db2.gz IMGRXEUYXAQVLF-JTQLQIEISA-N 1 2 211.309 -0.242 20 0 BBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C1CC1 ZINC000090698425 343938162 /nfs/dbraw/zinc/93/81/62/343938162.db2.gz IBCVUFYVSJHRRO-SNVBAGLBSA-N 1 2 209.293 -0.488 20 0 BBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)C1CC1 ZINC000090698426 343937930 /nfs/dbraw/zinc/93/79/30/343937930.db2.gz IBCVUFYVSJHRRO-JTQLQIEISA-N 1 2 209.293 -0.488 20 0 BBADLO CCOCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000090698445 343937911 /nfs/dbraw/zinc/93/79/11/343937911.db2.gz XUVBXXBNVJWIID-SNVBAGLBSA-N 1 2 227.308 -0.861 20 0 BBADLO CCOCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000090698446 343937811 /nfs/dbraw/zinc/93/78/11/343937811.db2.gz XUVBXXBNVJWIID-JTQLQIEISA-N 1 2 227.308 -0.861 20 0 BBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cnccn1 ZINC000090698767 182228745 /nfs/dbraw/zinc/22/87/45/182228745.db2.gz HGCKBFSUXMDMGE-SNVBAGLBSA-N 1 2 247.302 -0.794 20 0 BBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cnccn1 ZINC000090698768 182245923 /nfs/dbraw/zinc/24/59/23/182245923.db2.gz HGCKBFSUXMDMGE-JTQLQIEISA-N 1 2 247.302 -0.794 20 0 BBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C1CCC1 ZINC000090698771 360084037 /nfs/dbraw/zinc/08/40/37/360084037.db2.gz NWUFFHSOYXCSBL-LLVKDONJSA-N 1 2 223.320 -0.098 20 0 BBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)C1CCC1 ZINC000090698772 360083791 /nfs/dbraw/zinc/08/37/91/360083791.db2.gz NWUFFHSOYXCSBL-NSHDSACASA-N 1 2 223.320 -0.098 20 0 BBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccccn1 ZINC000090698775 360083823 /nfs/dbraw/zinc/08/38/23/360083823.db2.gz NWUMUNLUKUBKDN-LLVKDONJSA-N 1 2 246.314 -0.189 20 0 BBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccccn1 ZINC000090698776 360084284 /nfs/dbraw/zinc/08/42/84/360084284.db2.gz NWUMUNLUKUBKDN-NSHDSACASA-N 1 2 246.314 -0.189 20 0 BBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)C(F)(F)F ZINC000090698807 644602060 /nfs/dbraw/zinc/60/20/60/644602060.db2.gz GADPXRRLIAYZLT-ZETCQYMHSA-N 1 2 237.225 -0.335 20 0 BBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C(F)(F)F ZINC000090698808 644603176 /nfs/dbraw/zinc/60/31/76/644603176.db2.gz GADPXRRLIAYZLT-SSDOTTSWSA-N 1 2 237.225 -0.335 20 0 BBADLO CC(C)NC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000090698931 632032261 /nfs/dbraw/zinc/03/22/61/632032261.db2.gz QTAFOSBKBKDHJY-SNVBAGLBSA-N 1 2 226.324 -0.306 20 0 BBADLO CC(C)NC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000090698932 632031945 /nfs/dbraw/zinc/03/19/45/632031945.db2.gz QTAFOSBKBKDHJY-JTQLQIEISA-N 1 2 226.324 -0.306 20 0 BBADLO CCNC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000090698933 343938139 /nfs/dbraw/zinc/93/81/39/343938139.db2.gz MDMXIOFGTCPONH-SECBINFHSA-N 1 2 212.297 -0.695 20 0 BBADLO CCNC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000090698934 135552393 /nfs/dbraw/zinc/55/23/93/135552393.db2.gz MDMXIOFGTCPONH-VIFPVBQESA-N 1 2 212.297 -0.695 20 0 BBADLO CCCS(=O)(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000090698953 343937795 /nfs/dbraw/zinc/93/77/95/343937795.db2.gz CENACXCOOUGVEB-SNVBAGLBSA-N 1 2 247.364 -0.684 20 0 BBADLO CCCS(=O)(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000090698954 343938032 /nfs/dbraw/zinc/93/80/32/343938032.db2.gz CENACXCOOUGVEB-JTQLQIEISA-N 1 2 247.364 -0.684 20 0 BBADLO O=S(=O)(NC[C@@H]1C[NH+]2CCN1CC2)C1CC1 ZINC000090699047 360083698 /nfs/dbraw/zinc/08/36/98/360083698.db2.gz DMAZYWZINDVWIU-SECBINFHSA-N 1 2 245.348 -0.932 20 0 BBADLO O=S(=O)(NC[C@H]1C[NH+]2CCN1CC2)C1CC1 ZINC000090699048 360084111 /nfs/dbraw/zinc/08/41/11/360084111.db2.gz DMAZYWZINDVWIU-VIFPVBQESA-N 1 2 245.348 -0.932 20 0 BBADLO NC(=O)C[N@H+]1CCCN(CC(F)F)CC1 ZINC000091084945 360101195 /nfs/dbraw/zinc/10/11/95/360101195.db2.gz CEAPBQBXGRYOOR-UHFFFAOYSA-N 1 2 221.251 -0.256 20 0 BBADLO NC(=O)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091084945 360101190 /nfs/dbraw/zinc/10/11/90/360101190.db2.gz CEAPBQBXGRYOOR-UHFFFAOYSA-N 1 2 221.251 -0.256 20 0 BBADLO Cc1cc(NC(=O)NC[C@H](O)CO)cc[nH+]1 ZINC000091187232 178141282 /nfs/dbraw/zinc/14/12/82/178141282.db2.gz PDHSBSHZTCMAKZ-VIFPVBQESA-N 1 2 225.248 -0.135 20 0 BBADLO Cc1cc(NC(=O)NC[C@@H](O)CO)cc[nH+]1 ZINC000091187233 178139364 /nfs/dbraw/zinc/13/93/64/178139364.db2.gz PDHSBSHZTCMAKZ-SECBINFHSA-N 1 2 225.248 -0.135 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)NC[C@H](O)CO ZINC000091187264 179709744 /nfs/dbraw/zinc/70/97/44/179709744.db2.gz HSRQTNDXMBPOQC-QMMMGPOBSA-N 1 2 225.248 -0.135 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)NC[C@@H](O)CO ZINC000091187265 179709000 /nfs/dbraw/zinc/70/90/00/179709000.db2.gz HSRQTNDXMBPOQC-MRVPVSSYSA-N 1 2 225.248 -0.135 20 0 BBADLO COCCS(=O)(=O)NCCCn1cc[nH+]c1 ZINC000091212580 174371662 /nfs/dbraw/zinc/37/16/62/174371662.db2.gz NYCCXKRSIZKVIF-UHFFFAOYSA-N 1 2 247.320 -0.161 20 0 BBADLO C[C@@H](CN1CCOCC1)[N@H+]1CCNC(=O)C1 ZINC000091506623 360118851 /nfs/dbraw/zinc/11/88/51/360118851.db2.gz OSPYMPVSAMATEA-JTQLQIEISA-N 1 2 227.308 -0.861 20 0 BBADLO C[C@@H](CN1CCOCC1)[N@@H+]1CCNC(=O)C1 ZINC000091506623 360118849 /nfs/dbraw/zinc/11/88/49/360118849.db2.gz OSPYMPVSAMATEA-JTQLQIEISA-N 1 2 227.308 -0.861 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)N1CCNC(=O)C1 ZINC000091506623 360118845 /nfs/dbraw/zinc/11/88/45/360118845.db2.gz OSPYMPVSAMATEA-JTQLQIEISA-N 1 2 227.308 -0.861 20 0 BBADLO C[C@H](CN1CCOCC1)[N@H+]1CCNC(=O)C1 ZINC000091506624 360118592 /nfs/dbraw/zinc/11/85/92/360118592.db2.gz OSPYMPVSAMATEA-SNVBAGLBSA-N 1 2 227.308 -0.861 20 0 BBADLO C[C@H](CN1CCOCC1)[N@@H+]1CCNC(=O)C1 ZINC000091506624 360118590 /nfs/dbraw/zinc/11/85/90/360118590.db2.gz OSPYMPVSAMATEA-SNVBAGLBSA-N 1 2 227.308 -0.861 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)N1CCNC(=O)C1 ZINC000091506624 360118586 /nfs/dbraw/zinc/11/85/86/360118586.db2.gz OSPYMPVSAMATEA-SNVBAGLBSA-N 1 2 227.308 -0.861 20 0 BBADLO COCC[NH+](CCOC)CC(=O)N(C)OC ZINC000091506835 644627649 /nfs/dbraw/zinc/62/76/49/644627649.db2.gz WMSJNVULUXCJKQ-UHFFFAOYSA-N 1 2 234.296 -0.399 20 0 BBADLO CON(C)C(=O)C[N@@H+](C)CCN1CCCC1=O ZINC000091511534 632043435 /nfs/dbraw/zinc/04/34/35/632043435.db2.gz PGHFXTCOHIXQAN-UHFFFAOYSA-N 1 2 243.307 -0.440 20 0 BBADLO CON(C)C(=O)C[N@H+](C)CCN1CCCC1=O ZINC000091511534 632043434 /nfs/dbraw/zinc/04/34/34/632043434.db2.gz PGHFXTCOHIXQAN-UHFFFAOYSA-N 1 2 243.307 -0.440 20 0 BBADLO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N(C)OC ZINC000091513784 632045068 /nfs/dbraw/zinc/04/50/68/632045068.db2.gz QEILGGZUALEPST-VIFPVBQESA-N 1 2 243.307 -0.393 20 0 BBADLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N(C)OC ZINC000091513784 632045065 /nfs/dbraw/zinc/04/50/65/632045065.db2.gz QEILGGZUALEPST-VIFPVBQESA-N 1 2 243.307 -0.393 20 0 BBADLO CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)N(C)OC ZINC000091513786 632045165 /nfs/dbraw/zinc/04/51/65/632045165.db2.gz QEILGGZUALEPST-SECBINFHSA-N 1 2 243.307 -0.393 20 0 BBADLO CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N(C)OC ZINC000091513786 632045164 /nfs/dbraw/zinc/04/51/64/632045164.db2.gz QEILGGZUALEPST-SECBINFHSA-N 1 2 243.307 -0.393 20 0 BBADLO CON(C)C(=O)C[N@H+]1CCCC2(C1)OCCO2 ZINC000091514918 632042684 /nfs/dbraw/zinc/04/26/84/632042684.db2.gz YOZSFLZSHSRXRT-UHFFFAOYSA-N 1 2 244.291 -0.155 20 0 BBADLO CON(C)C(=O)C[N@@H+]1CCCC2(C1)OCCO2 ZINC000091514918 632042682 /nfs/dbraw/zinc/04/26/82/632042682.db2.gz YOZSFLZSHSRXRT-UHFFFAOYSA-N 1 2 244.291 -0.155 20 0 BBADLO COC(=O)[C@@H](C)C[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000091540051 345597590 /nfs/dbraw/zinc/59/75/90/345597590.db2.gz HXGJAOGXTJFCCK-LURJTMIESA-N 1 2 228.252 -0.661 20 0 BBADLO COC(=O)[C@@H](C)C[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000091540051 345597588 /nfs/dbraw/zinc/59/75/88/345597588.db2.gz HXGJAOGXTJFCCK-LURJTMIESA-N 1 2 228.252 -0.661 20 0 BBADLO COC(=O)[C@H](C)C[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000091540052 345597432 /nfs/dbraw/zinc/59/74/32/345597432.db2.gz HXGJAOGXTJFCCK-ZCFIWIBFSA-N 1 2 228.252 -0.661 20 0 BBADLO COC(=O)[C@H](C)C[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000091540052 345597430 /nfs/dbraw/zinc/59/74/30/345597430.db2.gz HXGJAOGXTJFCCK-ZCFIWIBFSA-N 1 2 228.252 -0.661 20 0 BBADLO CC[N@H+](Cc1n[nH]c(=O)[nH]1)C[C@@H]1CCOC1 ZINC000091540411 491130974 /nfs/dbraw/zinc/13/09/74/491130974.db2.gz XJWVQPSCOBLPCJ-QMMMGPOBSA-N 1 2 226.280 -0.044 20 0 BBADLO CC[N@H+](Cc1n[nH]c(=O)[nH]1)C[C@H]1CCOC1 ZINC000091540412 491130962 /nfs/dbraw/zinc/13/09/62/491130962.db2.gz XJWVQPSCOBLPCJ-MRVPVSSYSA-N 1 2 226.280 -0.044 20 0 BBADLO O=c1[nH]nc(CN2CC[NH+](CC3CC3)CC2)[nH]1 ZINC000091540779 345597327 /nfs/dbraw/zinc/59/73/27/345597327.db2.gz YFOCTOOHQIFKOA-UHFFFAOYSA-N 1 2 237.307 -0.374 20 0 BBADLO COCCC[N@@H+](CCOC)Cc1n[nH]c(=O)[nH]1 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/nfs/dbraw/zinc/15/04/75/384150475.db2.gz OZFXYSHZLVPCJE-SNVBAGLBSA-N 1 2 235.291 -0.072 20 0 BBADLO Cc1n[nH]cc1C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000091865610 384150470 /nfs/dbraw/zinc/15/04/70/384150470.db2.gz OZFXYSHZLVPCJE-SNVBAGLBSA-N 1 2 235.291 -0.072 20 0 BBADLO Cc1n[nH]cc1C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000091865612 384151052 /nfs/dbraw/zinc/15/10/52/384151052.db2.gz OZFXYSHZLVPCJE-JTQLQIEISA-N 1 2 235.291 -0.072 20 0 BBADLO Cc1n[nH]cc1C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000091865612 384151043 /nfs/dbraw/zinc/15/10/43/384151043.db2.gz OZFXYSHZLVPCJE-JTQLQIEISA-N 1 2 235.291 -0.072 20 0 BBADLO O=C1NC[C@@H]2C[N@@H+](Cc3ccco3)CCN2C1=O ZINC000091866165 384149820 /nfs/dbraw/zinc/14/98/20/384149820.db2.gz MDHSKFWAUCHGGD-SECBINFHSA-N 1 2 249.270 -0.578 20 0 BBADLO O=C1NC[C@@H]2C[N@H+](Cc3ccco3)CCN2C1=O ZINC000091866165 384149813 /nfs/dbraw/zinc/14/98/13/384149813.db2.gz MDHSKFWAUCHGGD-SECBINFHSA-N 1 2 249.270 -0.578 20 0 BBADLO O=C1NC[C@H]2C[N@@H+](Cc3ccco3)CCN2C1=O ZINC000091866167 384149981 /nfs/dbraw/zinc/14/99/81/384149981.db2.gz MDHSKFWAUCHGGD-VIFPVBQESA-N 1 2 249.270 -0.578 20 0 BBADLO O=C1NC[C@H]2C[N@H+](Cc3ccco3)CCN2C1=O ZINC000091866167 384149974 /nfs/dbraw/zinc/14/99/74/384149974.db2.gz MDHSKFWAUCHGGD-VIFPVBQESA-N 1 2 249.270 -0.578 20 0 BBADLO O=C(Cc1ccn[nH]1)N1CC[NH+](CCO)CC1 ZINC000091948523 182034381 /nfs/dbraw/zinc/03/43/81/182034381.db2.gz VDDLEFSUWMTMOL-UHFFFAOYSA-N 1 2 238.291 -0.911 20 0 BBADLO CCCC[N@@H+](CC(N)=O)Cc1cnnn1C ZINC000091950246 384154551 /nfs/dbraw/zinc/15/45/51/384154551.db2.gz ZAXATQHGHZMTRE-UHFFFAOYSA-N 1 2 225.296 -0.098 20 0 BBADLO CCCC[N@H+](CC(N)=O)Cc1cnnn1C ZINC000091950246 384154545 /nfs/dbraw/zinc/15/45/45/384154545.db2.gz ZAXATQHGHZMTRE-UHFFFAOYSA-N 1 2 225.296 -0.098 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H](C(N)=O)O1 ZINC000092007615 191003769 /nfs/dbraw/zinc/00/37/69/191003769.db2.gz SQAFZHWGYHICBO-PSASIEDQSA-N 1 2 238.291 -0.505 20 0 BBADLO C[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H](C(N)=O)O1 ZINC000092007615 191003767 /nfs/dbraw/zinc/00/37/67/191003767.db2.gz SQAFZHWGYHICBO-PSASIEDQSA-N 1 2 238.291 -0.505 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@@H](C(N)=O)O1 ZINC000092007616 191003509 /nfs/dbraw/zinc/00/35/09/191003509.db2.gz SQAFZHWGYHICBO-SCZZXKLOSA-N 1 2 238.291 -0.505 20 0 BBADLO C[C@@H]1C[N@H+](Cc2ccnn2C)C[C@@H](C(N)=O)O1 ZINC000092007616 191003507 /nfs/dbraw/zinc/00/35/07/191003507.db2.gz SQAFZHWGYHICBO-SCZZXKLOSA-N 1 2 238.291 -0.505 20 0 BBADLO Cc1n[nH]cc1C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000092008343 384159630 /nfs/dbraw/zinc/15/96/30/384159630.db2.gz KPIBOCFIJPHPJB-XCBNKYQSSA-N 1 2 238.291 -0.207 20 0 BBADLO Cc1n[nH]cc1C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000092008343 384159620 /nfs/dbraw/zinc/15/96/20/384159620.db2.gz KPIBOCFIJPHPJB-XCBNKYQSSA-N 1 2 238.291 -0.207 20 0 BBADLO Cc1n[nH]cc1C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000092008346 384159119 /nfs/dbraw/zinc/15/91/19/384159119.db2.gz KPIBOCFIJPHPJB-GMSGAONNSA-N 1 2 238.291 -0.207 20 0 BBADLO Cc1n[nH]cc1C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000092008346 384159116 /nfs/dbraw/zinc/15/91/16/384159116.db2.gz KPIBOCFIJPHPJB-GMSGAONNSA-N 1 2 238.291 -0.207 20 0 BBADLO CC(C)C[N@@H+](CC(N)=O)Cc1cnnn1C ZINC000092011061 344287664 /nfs/dbraw/zinc/28/76/64/344287664.db2.gz MWKFXGVFKATKOD-UHFFFAOYSA-N 1 2 225.296 -0.242 20 0 BBADLO CC(C)C[N@H+](CC(N)=O)Cc1cnnn1C ZINC000092011061 344287662 /nfs/dbraw/zinc/28/76/62/344287662.db2.gz MWKFXGVFKATKOD-UHFFFAOYSA-N 1 2 225.296 -0.242 20 0 BBADLO C[C@@H]1CO[C@H](CO)CN1Cc1c[nH]c[nH+]1 ZINC000092041821 343952456 /nfs/dbraw/zinc/95/24/56/343952456.db2.gz IPFPAKCHRPAOKT-SCZZXKLOSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@@H]1CO[C@H](CO)CN1Cc1c[nH+]c[nH]1 ZINC000092041821 343952454 /nfs/dbraw/zinc/95/24/54/343952454.db2.gz IPFPAKCHRPAOKT-SCZZXKLOSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@H]1CO[C@H](CO)CN1Cc1c[nH]c[nH+]1 ZINC000092041822 343952242 /nfs/dbraw/zinc/95/22/42/343952242.db2.gz IPFPAKCHRPAOKT-WPRPVWTQSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@H]1CO[C@H](CO)CN1Cc1c[nH+]c[nH]1 ZINC000092041822 343952239 /nfs/dbraw/zinc/95/22/39/343952239.db2.gz IPFPAKCHRPAOKT-WPRPVWTQSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@@H]1CO[C@@H](CO)CN1Cc1c[nH]c[nH+]1 ZINC000092041823 343952558 /nfs/dbraw/zinc/95/25/58/343952558.db2.gz IPFPAKCHRPAOKT-PSASIEDQSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@@H]1CO[C@@H](CO)CN1Cc1c[nH+]c[nH]1 ZINC000092041823 343952557 /nfs/dbraw/zinc/95/25/57/343952557.db2.gz IPFPAKCHRPAOKT-PSASIEDQSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@H]1CO[C@@H](CO)CN1Cc1c[nH]c[nH+]1 ZINC000092041824 343952389 /nfs/dbraw/zinc/95/23/89/343952389.db2.gz IPFPAKCHRPAOKT-WCBMZHEXSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@H]1CO[C@@H](CO)CN1Cc1c[nH+]c[nH]1 ZINC000092041824 343952386 /nfs/dbraw/zinc/95/23/86/343952386.db2.gz IPFPAKCHRPAOKT-WCBMZHEXSA-N 1 2 211.265 -0.009 20 0 BBADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000092068643 345615561 /nfs/dbraw/zinc/61/55/61/345615561.db2.gz VSPWDCOXJJSELL-SECBINFHSA-N 1 2 244.320 -0.467 20 0 BBADLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc[nH]n2)C1 ZINC000092068643 345615559 /nfs/dbraw/zinc/61/55/59/345615559.db2.gz VSPWDCOXJJSELL-SECBINFHSA-N 1 2 244.320 -0.467 20 0 BBADLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000092068645 345615468 /nfs/dbraw/zinc/61/54/68/345615468.db2.gz VSPWDCOXJJSELL-VIFPVBQESA-N 1 2 244.320 -0.467 20 0 BBADLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc[nH]n2)C1 ZINC000092068645 345615467 /nfs/dbraw/zinc/61/54/67/345615467.db2.gz VSPWDCOXJJSELL-VIFPVBQESA-N 1 2 244.320 -0.467 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CCCCO ZINC000092171495 538106454 /nfs/dbraw/zinc/10/64/54/538106454.db2.gz KDTPQWSMEPSBNM-NSHDSACASA-N 1 2 244.335 -0.014 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CCCCO ZINC000092171497 538106437 /nfs/dbraw/zinc/10/64/37/538106437.db2.gz KDTPQWSMEPSBNM-LLVKDONJSA-N 1 2 244.335 -0.014 20 0 BBADLO C[C@H]1OCC[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000092199771 345606765 /nfs/dbraw/zinc/60/67/65/345606765.db2.gz DKAVBLYTWUANID-GHMZBOCLSA-N 1 2 242.319 -0.140 20 0 BBADLO C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000092199772 345606546 /nfs/dbraw/zinc/60/65/46/345606546.db2.gz DKAVBLYTWUANID-WDEREUQCSA-N 1 2 242.319 -0.140 20 0 BBADLO C[C@H]1OCC[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000092199773 345606583 /nfs/dbraw/zinc/60/65/83/345606583.db2.gz DKAVBLYTWUANID-MNOVXSKESA-N 1 2 242.319 -0.140 20 0 BBADLO C[C@@H]1OCC[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000092199774 345606502 /nfs/dbraw/zinc/60/65/02/345606502.db2.gz DKAVBLYTWUANID-QWRGUYRKSA-N 1 2 242.319 -0.140 20 0 BBADLO NC(=O)[C@H]1COCC[N@H+]1CC1CCOCC1 ZINC000092228874 191028779 /nfs/dbraw/zinc/02/87/79/191028779.db2.gz RCKYWOVYMXJGCO-SNVBAGLBSA-N 1 2 228.292 -0.401 20 0 BBADLO NC(=O)[C@H]1COCC[N@@H+]1CC1CCOCC1 ZINC000092228874 191028778 /nfs/dbraw/zinc/02/87/78/191028778.db2.gz RCKYWOVYMXJGCO-SNVBAGLBSA-N 1 2 228.292 -0.401 20 0 BBADLO NC(=O)[C@@H]1COCC[N@H+]1CC1CCOCC1 ZINC000092228875 191003933 /nfs/dbraw/zinc/00/39/33/191003933.db2.gz RCKYWOVYMXJGCO-JTQLQIEISA-N 1 2 228.292 -0.401 20 0 BBADLO NC(=O)[C@@H]1COCC[N@@H+]1CC1CCOCC1 ZINC000092228875 191003930 /nfs/dbraw/zinc/00/39/30/191003930.db2.gz RCKYWOVYMXJGCO-JTQLQIEISA-N 1 2 228.292 -0.401 20 0 BBADLO CCC[N@@H+](CC(=O)NC)Cc1cnnn1C ZINC000092381468 169095109 /nfs/dbraw/zinc/09/51/09/169095109.db2.gz OPKXANPNKULXRW-UHFFFAOYSA-N 1 2 225.296 -0.227 20 0 BBADLO CCC[N@H+](CC(=O)NC)Cc1cnnn1C ZINC000092381468 169095107 /nfs/dbraw/zinc/09/51/07/169095107.db2.gz OPKXANPNKULXRW-UHFFFAOYSA-N 1 2 225.296 -0.227 20 0 BBADLO NC(=O)c1cncc(NCCn2cc[nH+]c2)n1 ZINC000092582900 353436970 /nfs/dbraw/zinc/43/69/70/353436970.db2.gz SSPXOIVTZJKOSW-UHFFFAOYSA-N 1 2 232.247 -0.116 20 0 BBADLO CC(C)C[NH+]1CCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000092616701 360184849 /nfs/dbraw/zinc/18/48/49/360184849.db2.gz QGXQMKIEARTNER-UHFFFAOYSA-N 1 2 239.323 -0.128 20 0 BBADLO CC(C)[NH+]1CCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000092617085 360185033 /nfs/dbraw/zinc/18/50/33/360185033.db2.gz MUSULWHDKPGVRX-UHFFFAOYSA-N 1 2 225.296 -0.376 20 0 BBADLO CC[NH+]1CCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000092617127 360185106 /nfs/dbraw/zinc/18/51/06/360185106.db2.gz VEAGAHKGXIRXJC-UHFFFAOYSA-N 1 2 211.269 -0.765 20 0 BBADLO O=c1[nH]nc(C[N@@H+]2CCC[C@H](CO)C2)[nH]1 ZINC000092617156 345641777 /nfs/dbraw/zinc/64/17/77/345641777.db2.gz UMAYKBPKUUCLFZ-ZETCQYMHSA-N 1 2 212.253 -0.698 20 0 BBADLO O=c1[nH]nc(C[N@H+]2CCC[C@H](CO)C2)[nH]1 ZINC000092617156 345641774 /nfs/dbraw/zinc/64/17/74/345641774.db2.gz UMAYKBPKUUCLFZ-ZETCQYMHSA-N 1 2 212.253 -0.698 20 0 BBADLO O=c1[nH]nc(C[N@@H+]2CCC[C@@H](CO)C2)[nH]1 ZINC000092617157 345641591 /nfs/dbraw/zinc/64/15/91/345641591.db2.gz UMAYKBPKUUCLFZ-SSDOTTSWSA-N 1 2 212.253 -0.698 20 0 BBADLO O=c1[nH]nc(C[N@H+]2CCC[C@@H](CO)C2)[nH]1 ZINC000092617157 345641589 /nfs/dbraw/zinc/64/15/89/345641589.db2.gz UMAYKBPKUUCLFZ-SSDOTTSWSA-N 1 2 212.253 -0.698 20 0 BBADLO O=c1[nH]nc(C[NH+]2CCC(CO)CC2)[nH]1 ZINC000092617420 360185397 /nfs/dbraw/zinc/18/53/97/360185397.db2.gz KIXCLESXVJZZGY-UHFFFAOYSA-N 1 2 212.253 -0.698 20 0 BBADLO CCC[N@@H+](CCO)Cc1n[nH]c(=O)[nH]1 ZINC000092617444 169166465 /nfs/dbraw/zinc/16/64/65/169166465.db2.gz ZXVGXQWQVRFURI-UHFFFAOYSA-N 1 2 200.242 -0.698 20 0 BBADLO CCC[N@H+](CCO)Cc1n[nH]c(=O)[nH]1 ZINC000092617444 169166462 /nfs/dbraw/zinc/16/64/62/169166462.db2.gz ZXVGXQWQVRFURI-UHFFFAOYSA-N 1 2 200.242 -0.698 20 0 BBADLO COCCC[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000092618084 174218451 /nfs/dbraw/zinc/21/84/51/174218451.db2.gz HPZJYGDNYSYSBN-UHFFFAOYSA-N 1 2 200.242 -0.434 20 0 BBADLO COCCC[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000092618084 174218450 /nfs/dbraw/zinc/21/84/50/174218450.db2.gz HPZJYGDNYSYSBN-UHFFFAOYSA-N 1 2 200.242 -0.434 20 0 BBADLO O=c1[nH]nc(CN2CC[C@@H]([NH+]3CCCC3)C2)[nH]1 ZINC000092618461 388812901 /nfs/dbraw/zinc/81/29/01/388812901.db2.gz AOWSBDIOJSEKEX-SECBINFHSA-N 1 2 237.307 -0.232 20 0 BBADLO O=c1[nH]nc(CN2CC[C@H]([NH+]3CCCC3)C2)[nH]1 ZINC000092618462 384670081 /nfs/dbraw/zinc/67/00/81/384670081.db2.gz AOWSBDIOJSEKEX-VIFPVBQESA-N 1 2 237.307 -0.232 20 0 BBADLO C[NH+](C)[C@@H]1CCCN(Cc2n[nH]c(=O)[nH]2)C1 ZINC000092618468 360186799 /nfs/dbraw/zinc/18/67/99/360186799.db2.gz OVBAZUQHXNSQRC-MRVPVSSYSA-N 1 2 225.296 -0.376 20 0 BBADLO C[NH+](C)[C@H]1CCCN(Cc2n[nH]c(=O)[nH]2)C1 ZINC000092618469 360186852 /nfs/dbraw/zinc/18/68/52/360186852.db2.gz OVBAZUQHXNSQRC-QMMMGPOBSA-N 1 2 225.296 -0.376 20 0 BBADLO O=c1[nH]nc(C[N@@H+]2CCCC[C@H]2CCO)[nH]1 ZINC000092618527 345641676 /nfs/dbraw/zinc/64/16/76/345641676.db2.gz XFLRPMJPHQQSKY-QMMMGPOBSA-N 1 2 226.280 -0.165 20 0 BBADLO O=c1[nH]nc(C[N@H+]2CCCC[C@H]2CCO)[nH]1 ZINC000092618527 345641674 /nfs/dbraw/zinc/64/16/74/345641674.db2.gz XFLRPMJPHQQSKY-QMMMGPOBSA-N 1 2 226.280 -0.165 20 0 BBADLO O=c1[nH]nc(C[N@@H+]2CCCC[C@@H]2CCO)[nH]1 ZINC000092618528 345641637 /nfs/dbraw/zinc/64/16/37/345641637.db2.gz XFLRPMJPHQQSKY-MRVPVSSYSA-N 1 2 226.280 -0.165 20 0 BBADLO O=c1[nH]nc(C[N@H+]2CCCC[C@@H]2CCO)[nH]1 ZINC000092618528 345641635 /nfs/dbraw/zinc/64/16/35/345641635.db2.gz XFLRPMJPHQQSKY-MRVPVSSYSA-N 1 2 226.280 -0.165 20 0 BBADLO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000092618542 360186774 /nfs/dbraw/zinc/18/67/74/360186774.db2.gz DAFIVIPAXOURQM-RQJHMYQMSA-N 1 2 239.279 -0.816 20 0 BBADLO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000092618542 360186772 /nfs/dbraw/zinc/18/67/72/360186772.db2.gz DAFIVIPAXOURQM-RQJHMYQMSA-N 1 2 239.279 -0.816 20 0 BBADLO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000092618543 360185916 /nfs/dbraw/zinc/18/59/16/360185916.db2.gz DAFIVIPAXOURQM-BQBZGAKWSA-N 1 2 239.279 -0.816 20 0 BBADLO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000092618543 360185912 /nfs/dbraw/zinc/18/59/12/360185912.db2.gz DAFIVIPAXOURQM-BQBZGAKWSA-N 1 2 239.279 -0.816 20 0 BBADLO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000092618544 360186692 /nfs/dbraw/zinc/18/66/92/360186692.db2.gz DAFIVIPAXOURQM-RNFRBKRXSA-N 1 2 239.279 -0.816 20 0 BBADLO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000092618544 360186688 /nfs/dbraw/zinc/18/66/88/360186688.db2.gz DAFIVIPAXOURQM-RNFRBKRXSA-N 1 2 239.279 -0.816 20 0 BBADLO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000092618545 360186589 /nfs/dbraw/zinc/18/65/89/360186589.db2.gz DAFIVIPAXOURQM-NKWVEPMBSA-N 1 2 239.279 -0.816 20 0 BBADLO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000092618545 360186585 /nfs/dbraw/zinc/18/65/85/360186585.db2.gz DAFIVIPAXOURQM-NKWVEPMBSA-N 1 2 239.279 -0.816 20 0 BBADLO COC[C@@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000092618663 360186382 /nfs/dbraw/zinc/18/63/82/360186382.db2.gz TUAKBHRXYPCUTC-MRVPVSSYSA-N 1 2 226.280 -0.044 20 0 BBADLO COC[C@@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000092618663 360186377 /nfs/dbraw/zinc/18/63/77/360186377.db2.gz TUAKBHRXYPCUTC-MRVPVSSYSA-N 1 2 226.280 -0.044 20 0 BBADLO COC[C@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000092618664 360186747 /nfs/dbraw/zinc/18/67/47/360186747.db2.gz TUAKBHRXYPCUTC-QMMMGPOBSA-N 1 2 226.280 -0.044 20 0 BBADLO COC[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000092618664 360186745 /nfs/dbraw/zinc/18/67/45/360186745.db2.gz TUAKBHRXYPCUTC-QMMMGPOBSA-N 1 2 226.280 -0.044 20 0 BBADLO CC[N@@H+](Cc1n[nH]c(=O)[nH]1)CC(C)(C)O ZINC000092618697 345641514 /nfs/dbraw/zinc/64/15/14/345641514.db2.gz QTCFAUQTOKOYEP-UHFFFAOYSA-N 1 2 214.269 -0.309 20 0 BBADLO CC[N@H+](Cc1n[nH]c(=O)[nH]1)CC(C)(C)O ZINC000092618697 345641513 /nfs/dbraw/zinc/64/15/13/345641513.db2.gz QTCFAUQTOKOYEP-UHFFFAOYSA-N 1 2 214.269 -0.309 20 0 BBADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)CC(C)(C)O ZINC000092618713 345641543 /nfs/dbraw/zinc/64/15/43/345641543.db2.gz QDYALWMYDSJAML-UHFFFAOYSA-N 1 2 200.242 -0.699 20 0 BBADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)CC(C)(C)O ZINC000092618713 345641540 /nfs/dbraw/zinc/64/15/40/345641540.db2.gz QDYALWMYDSJAML-UHFFFAOYSA-N 1 2 200.242 -0.699 20 0 BBADLO C[C@H](O)CC[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000092618857 384186651 /nfs/dbraw/zinc/18/66/51/384186651.db2.gz YEJNVKYUFQNCJB-LURJTMIESA-N 1 2 200.242 -0.699 20 0 BBADLO C[C@H](O)CC[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000092618857 384186648 /nfs/dbraw/zinc/18/66/48/384186648.db2.gz YEJNVKYUFQNCJB-LURJTMIESA-N 1 2 200.242 -0.699 20 0 BBADLO C[C@@H](O)CC[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000092618858 384185939 /nfs/dbraw/zinc/18/59/39/384185939.db2.gz YEJNVKYUFQNCJB-ZCFIWIBFSA-N 1 2 200.242 -0.699 20 0 BBADLO C[C@@H](O)CC[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000092618858 384185938 /nfs/dbraw/zinc/18/59/38/384185938.db2.gz YEJNVKYUFQNCJB-ZCFIWIBFSA-N 1 2 200.242 -0.699 20 0 BBADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)C[C@@H]1CCOC1 ZINC000092619002 360186886 /nfs/dbraw/zinc/18/68/86/360186886.db2.gz MJNKINCYNBQQPW-ZETCQYMHSA-N 1 2 212.253 -0.434 20 0 BBADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)C[C@@H]1CCOC1 ZINC000092619002 360186883 /nfs/dbraw/zinc/18/68/83/360186883.db2.gz MJNKINCYNBQQPW-ZETCQYMHSA-N 1 2 212.253 -0.434 20 0 BBADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)C[C@H]1CCOC1 ZINC000092619003 360186573 /nfs/dbraw/zinc/18/65/73/360186573.db2.gz MJNKINCYNBQQPW-SSDOTTSWSA-N 1 2 212.253 -0.434 20 0 BBADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)C[C@H]1CCOC1 ZINC000092619003 360186569 /nfs/dbraw/zinc/18/65/69/360186569.db2.gz MJNKINCYNBQQPW-SSDOTTSWSA-N 1 2 212.253 -0.434 20 0 BBADLO O=c1[nH]nc(C[N@H+]2CC[C@]3(CCOC3)C2)[nH]1 ZINC000092619093 538107507 /nfs/dbraw/zinc/10/75/07/538107507.db2.gz CFOHSPABBBQBAT-JTQLQIEISA-N 1 2 224.264 -0.290 20 0 BBADLO O=c1[nH]nc(C[N@@H+]2CC[C@]3(CCOC3)C2)[nH]1 ZINC000092619093 538107506 /nfs/dbraw/zinc/10/75/06/538107506.db2.gz CFOHSPABBBQBAT-JTQLQIEISA-N 1 2 224.264 -0.290 20 0 BBADLO O=c1[nH]nc(C[N@H+]2CC[C@@]3(CCOC3)C2)[nH]1 ZINC000092619094 538107308 /nfs/dbraw/zinc/10/73/08/538107308.db2.gz CFOHSPABBBQBAT-SNVBAGLBSA-N 1 2 224.264 -0.290 20 0 BBADLO O=c1[nH]nc(C[N@@H+]2CC[C@@]3(CCOC3)C2)[nH]1 ZINC000092619094 538107307 /nfs/dbraw/zinc/10/73/07/538107307.db2.gz CFOHSPABBBQBAT-SNVBAGLBSA-N 1 2 224.264 -0.290 20 0 BBADLO Cn1ccc(C[N@H+]2CCO[C@H](C(N)=O)C2)c1 ZINC000092735177 384191608 /nfs/dbraw/zinc/19/16/08/384191608.db2.gz SJBXZUAIPUTMQF-JTQLQIEISA-N 1 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-0.034 20 0 BBADLO NC(=O)[C@H]1C[N@H+](Cc2ccco2)CCO1 ZINC000092735550 360192957 /nfs/dbraw/zinc/19/29/57/360192957.db2.gz SETCVEKVRPITLC-SECBINFHSA-N 1 2 210.233 -0.034 20 0 BBADLO Cn1cccc1C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000092735808 384192113 /nfs/dbraw/zinc/19/21/13/384192113.db2.gz GGEWXWXHGLACJB-JTQLQIEISA-N 1 2 223.276 -0.289 20 0 BBADLO Cn1cccc1C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000092735808 384192110 /nfs/dbraw/zinc/19/21/10/384192110.db2.gz GGEWXWXHGLACJB-JTQLQIEISA-N 1 2 223.276 -0.289 20 0 BBADLO Cn1cccc1C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000092735809 384192466 /nfs/dbraw/zinc/19/24/66/384192466.db2.gz GGEWXWXHGLACJB-SNVBAGLBSA-N 1 2 223.276 -0.289 20 0 BBADLO Cn1cccc1C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000092735809 384192461 /nfs/dbraw/zinc/19/24/61/384192461.db2.gz GGEWXWXHGLACJB-SNVBAGLBSA-N 1 2 223.276 -0.289 20 0 BBADLO C#CCNC(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000092914830 631562647 /nfs/dbraw/zinc/56/26/47/631562647.db2.gz BAUFRARPMBIKSX-UHFFFAOYSA-N 1 2 246.270 -0.338 20 0 BBADLO CN(CC[NH+]1CCOCC1)Cc1cnnn1C ZINC000092974667 360209075 /nfs/dbraw/zinc/20/90/75/360209075.db2.gz CJRDCAMNKAFYLG-UHFFFAOYSA-N 1 2 239.323 -0.421 20 0 BBADLO Cn1nncc1C[N@@H+](C)CCN1CCOCC1 ZINC000092974667 360209072 /nfs/dbraw/zinc/20/90/72/360209072.db2.gz CJRDCAMNKAFYLG-UHFFFAOYSA-N 1 2 239.323 -0.421 20 0 BBADLO Cn1nncc1C[N@H+](C)CCN1CCOCC1 ZINC000092974667 360209069 /nfs/dbraw/zinc/20/90/69/360209069.db2.gz CJRDCAMNKAFYLG-UHFFFAOYSA-N 1 2 239.323 -0.421 20 0 BBADLO COC(=O)[C@@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000093082274 360215154 /nfs/dbraw/zinc/21/51/54/360215154.db2.gz OEOFJUCRNQOPSG-VIFPVBQESA-N 1 2 225.248 -0.217 20 0 BBADLO COC(=O)[C@@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000093082274 360215151 /nfs/dbraw/zinc/21/51/51/360215151.db2.gz OEOFJUCRNQOPSG-VIFPVBQESA-N 1 2 225.248 -0.217 20 0 BBADLO COC(=O)[C@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000093082276 360214968 /nfs/dbraw/zinc/21/49/68/360214968.db2.gz OEOFJUCRNQOPSG-SECBINFHSA-N 1 2 225.248 -0.217 20 0 BBADLO COC(=O)[C@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000093082276 360214966 /nfs/dbraw/zinc/21/49/66/360214966.db2.gz OEOFJUCRNQOPSG-SECBINFHSA-N 1 2 225.248 -0.217 20 0 BBADLO CC(C)Cc1noc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000093092056 410102214 /nfs/dbraw/zinc/10/22/14/410102214.db2.gz ZDNQHQKSVKCEQB-DTORHVGOSA-N 1 2 241.291 -0.195 20 0 BBADLO CC(C)Cc1noc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000093092056 410102207 /nfs/dbraw/zinc/10/22/07/410102207.db2.gz ZDNQHQKSVKCEQB-DTORHVGOSA-N 1 2 241.291 -0.195 20 0 BBADLO O[C@@H]1C[N@H+](Cc2cn3ccccc3n2)C[C@@H]1O ZINC000093092096 183243482 /nfs/dbraw/zinc/24/34/82/183243482.db2.gz YUDOZVLDDYCTDN-PHIMTYICSA-N 1 2 233.271 -0.128 20 0 BBADLO O[C@@H]1C[N@@H+](Cc2cn3ccccc3n2)C[C@@H]1O ZINC000093092096 183243479 /nfs/dbraw/zinc/24/34/79/183243479.db2.gz YUDOZVLDDYCTDN-PHIMTYICSA-N 1 2 233.271 -0.128 20 0 BBADLO COC(=O)c1ccoc1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093092149 410102569 /nfs/dbraw/zinc/10/25/69/410102569.db2.gz KYBILZPSMPHNHN-DTORHVGOSA-N 1 2 241.243 -0.396 20 0 BBADLO COC(=O)c1ccoc1C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093092149 410102562 /nfs/dbraw/zinc/10/25/62/410102562.db2.gz KYBILZPSMPHNHN-DTORHVGOSA-N 1 2 241.243 -0.396 20 0 BBADLO O=C(C[N@H+]1C[C@@H](O)[C@@H](O)C1)Nc1ccccc1 ZINC000093092220 410101511 /nfs/dbraw/zinc/10/15/11/410101511.db2.gz UAKCPDIUVAFWMR-PHIMTYICSA-N 1 2 236.271 -0.338 20 0 BBADLO O=C(C[N@@H+]1C[C@@H](O)[C@@H](O)C1)Nc1ccccc1 ZINC000093092220 410101505 /nfs/dbraw/zinc/10/15/05/410101505.db2.gz UAKCPDIUVAFWMR-PHIMTYICSA-N 1 2 236.271 -0.338 20 0 BBADLO COC(=O)c1ccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)o1 ZINC000093092653 410099856 /nfs/dbraw/zinc/09/98/56/410099856.db2.gz YTGCACQJTWDUMK-DTORHVGOSA-N 1 2 241.243 -0.396 20 0 BBADLO COC(=O)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)o1 ZINC000093092653 410099850 /nfs/dbraw/zinc/09/98/50/410099850.db2.gz YTGCACQJTWDUMK-DTORHVGOSA-N 1 2 241.243 -0.396 20 0 BBADLO CCCCc1noc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000093092693 169030398 /nfs/dbraw/zinc/03/03/98/169030398.db2.gz JRHDDNNHGBXCLT-DTORHVGOSA-N 1 2 241.291 -0.050 20 0 BBADLO CCCCc1noc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000093092693 169030397 /nfs/dbraw/zinc/03/03/97/169030397.db2.gz JRHDDNNHGBXCLT-DTORHVGOSA-N 1 2 241.291 -0.050 20 0 BBADLO COC(=O)c1occc1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093092747 386399036 /nfs/dbraw/zinc/39/90/36/386399036.db2.gz RXZQLGGCQZKJNW-DTORHVGOSA-N 1 2 241.243 -0.396 20 0 BBADLO COC(=O)c1occc1C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093092747 386399026 /nfs/dbraw/zinc/39/90/26/386399026.db2.gz RXZQLGGCQZKJNW-DTORHVGOSA-N 1 2 241.243 -0.396 20 0 BBADLO O=C(C[N@H+]1C[C@@H](O)[C@@H](O)C1)NC1CCCCC1 ZINC000093092893 384162443 /nfs/dbraw/zinc/16/24/43/384162443.db2.gz KONZYPYUEBNKFC-PHIMTYICSA-N 1 2 242.319 -0.527 20 0 BBADLO O=C(C[N@@H+]1C[C@@H](O)[C@@H](O)C1)NC1CCCCC1 ZINC000093092893 384162436 /nfs/dbraw/zinc/16/24/36/384162436.db2.gz KONZYPYUEBNKFC-PHIMTYICSA-N 1 2 242.319 -0.527 20 0 BBADLO O[C@@H]1C[N@H+](Cc2cn3cccnc3n2)C[C@@H]1O ZINC000093093028 183243539 /nfs/dbraw/zinc/24/35/39/183243539.db2.gz RTIUDIBWWILNCC-AOOOYVTPSA-N 1 2 234.259 -0.733 20 0 BBADLO O[C@@H]1C[N@@H+](Cc2cn3cccnc3n2)C[C@@H]1O ZINC000093093028 183243537 /nfs/dbraw/zinc/24/35/37/183243537.db2.gz RTIUDIBWWILNCC-AOOOYVTPSA-N 1 2 234.259 -0.733 20 0 BBADLO Cn1nccc1C[N@H+]1CCNC(=O)CC1 ZINC000093101825 398308348 /nfs/dbraw/zinc/30/83/48/398308348.db2.gz YDGBKJNOTLJUNO-UHFFFAOYSA-N 1 2 208.265 -0.258 20 0 BBADLO Cn1nccc1C[N@@H+]1CCNC(=O)CC1 ZINC000093101825 398308346 /nfs/dbraw/zinc/30/83/46/398308346.db2.gz YDGBKJNOTLJUNO-UHFFFAOYSA-N 1 2 208.265 -0.258 20 0 BBADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CC1=CCCOC1 ZINC000093103313 398308587 /nfs/dbraw/zinc/30/85/87/398308587.db2.gz OLGFOUFLVHNJRI-MNOVXSKESA-N 1 2 241.287 -0.059 20 0 BBADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CC1=CCCOC1 ZINC000093103313 398308585 /nfs/dbraw/zinc/30/85/85/398308585.db2.gz OLGFOUFLVHNJRI-MNOVXSKESA-N 1 2 241.287 -0.059 20 0 BBADLO COCC[N@@H+](Cc1ccnn1C)[C@@H](C)C(N)=O ZINC000093138983 174300899 /nfs/dbraw/zinc/30/08/99/174300899.db2.gz KWGMNDVYSZKMOG-VIFPVBQESA-N 1 2 240.307 -0.258 20 0 BBADLO COCC[N@H+](Cc1ccnn1C)[C@@H](C)C(N)=O ZINC000093138983 174300898 /nfs/dbraw/zinc/30/08/98/174300898.db2.gz KWGMNDVYSZKMOG-VIFPVBQESA-N 1 2 240.307 -0.258 20 0 BBADLO COCC[N@@H+](Cc1ccnn1C)[C@H](C)C(N)=O ZINC000093138990 174300810 /nfs/dbraw/zinc/30/08/10/174300810.db2.gz KWGMNDVYSZKMOG-SECBINFHSA-N 1 2 240.307 -0.258 20 0 BBADLO COCC[N@H+](Cc1ccnn1C)[C@H](C)C(N)=O ZINC000093138990 174300808 /nfs/dbraw/zinc/30/08/08/174300808.db2.gz KWGMNDVYSZKMOG-SECBINFHSA-N 1 2 240.307 -0.258 20 0 BBADLO Cc1cccnc1C[NH+]1CCN(CC(N)=O)CC1 ZINC000093158220 179375421 /nfs/dbraw/zinc/37/54/21/179375421.db2.gz SRHJNKBGRORWIA-UHFFFAOYSA-N 1 2 248.330 -0.007 20 0 BBADLO Cc1[nH]ncc1CCCNC(=O)COCC[NH3+] ZINC000093232125 488146609 /nfs/dbraw/zinc/14/66/09/488146609.db2.gz OHOIFZDKLDPKRN-UHFFFAOYSA-N 1 2 240.307 -0.258 20 0 BBADLO CCOCC[N@@H+](C)CC(=O)NNC(=O)C1CC1 ZINC000093314267 644685944 /nfs/dbraw/zinc/68/59/44/644685944.db2.gz DNUQKXLZYXRYER-UHFFFAOYSA-N 1 2 243.307 -0.488 20 0 BBADLO CCOCC[N@H+](C)CC(=O)NNC(=O)C1CC1 ZINC000093314267 644685939 /nfs/dbraw/zinc/68/59/39/644685939.db2.gz DNUQKXLZYXRYER-UHFFFAOYSA-N 1 2 243.307 -0.488 20 0 BBADLO CCOCC[N@@H+](C)Cc1nc(N)nc(N)n1 ZINC000093315976 386091207 /nfs/dbraw/zinc/09/12/07/386091207.db2.gz WRXTXWZISJFRRS-UHFFFAOYSA-N 1 2 226.284 -0.496 20 0 BBADLO CCOCC[N@H+](C)Cc1nc(N)nc(N)n1 ZINC000093315976 386091203 /nfs/dbraw/zinc/09/12/03/386091203.db2.gz WRXTXWZISJFRRS-UHFFFAOYSA-N 1 2 226.284 -0.496 20 0 BBADLO Cc1[nH]ncc1C[N@@H+](CCO)CCCO ZINC000093324200 384229354 /nfs/dbraw/zinc/22/93/54/384229354.db2.gz MBHTUOYJVDZPTM-UHFFFAOYSA-N 1 2 213.281 -0.105 20 0 BBADLO Cc1[nH]ncc1C[N@H+](CCO)CCCO ZINC000093324200 384229352 /nfs/dbraw/zinc/22/93/52/384229352.db2.gz MBHTUOYJVDZPTM-UHFFFAOYSA-N 1 2 213.281 -0.105 20 0 BBADLO C[C@@H]1CC[N@@H+](Cc2nc(N)nc(N)n2)C[C@@H]1O ZINC000093344097 360235834 /nfs/dbraw/zinc/23/58/34/360235834.db2.gz ULTVGSYOGFQRLU-RQJHMYQMSA-N 1 2 238.295 -0.761 20 0 BBADLO C[C@@H]1CC[N@H+](Cc2nc(N)nc(N)n2)C[C@@H]1O ZINC000093344097 360235829 /nfs/dbraw/zinc/23/58/29/360235829.db2.gz ULTVGSYOGFQRLU-RQJHMYQMSA-N 1 2 238.295 -0.761 20 0 BBADLO C[C@H]1CC[N@@H+](Cc2nc(N)nc(N)n2)C[C@@H]1O ZINC000093344098 360236038 /nfs/dbraw/zinc/23/60/38/360236038.db2.gz ULTVGSYOGFQRLU-BQBZGAKWSA-N 1 2 238.295 -0.761 20 0 BBADLO C[C@H]1CC[N@H+](Cc2nc(N)nc(N)n2)C[C@@H]1O ZINC000093344098 360236034 /nfs/dbraw/zinc/23/60/34/360236034.db2.gz ULTVGSYOGFQRLU-BQBZGAKWSA-N 1 2 238.295 -0.761 20 0 BBADLO Cn1nccc1C[N@@H+](C)CCNS(C)(=O)=O ZINC000093423056 345670928 /nfs/dbraw/zinc/67/09/28/345670928.db2.gz VFJKNHQPYCLHRS-UHFFFAOYSA-N 1 2 246.336 -0.599 20 0 BBADLO Cn1nccc1C[N@H+](C)CCNS(C)(=O)=O ZINC000093423056 345670926 /nfs/dbraw/zinc/67/09/26/345670926.db2.gz VFJKNHQPYCLHRS-UHFFFAOYSA-N 1 2 246.336 -0.599 20 0 BBADLO Cc1n[nH]cc1C[N@@H+](C)CCNS(C)(=O)=O ZINC000093423232 537799748 /nfs/dbraw/zinc/79/97/48/537799748.db2.gz MNQGTWINQJAYEJ-UHFFFAOYSA-N 1 2 246.336 -0.301 20 0 BBADLO Cc1n[nH]cc1C[N@H+](C)CCNS(C)(=O)=O ZINC000093423232 537799740 /nfs/dbraw/zinc/79/97/40/537799740.db2.gz MNQGTWINQJAYEJ-UHFFFAOYSA-N 1 2 246.336 -0.301 20 0 BBADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CC1=CCCOC1 ZINC000093441526 384239361 /nfs/dbraw/zinc/23/93/61/384239361.db2.gz OLGFOUFLVHNJRI-QWRGUYRKSA-N 1 2 241.287 -0.059 20 0 BBADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CC1=CCCOC1 ZINC000093441526 384239356 /nfs/dbraw/zinc/23/93/56/384239356.db2.gz OLGFOUFLVHNJRI-QWRGUYRKSA-N 1 2 241.287 -0.059 20 0 BBADLO C[N@@H+](Cc1c[nH]cn1)CC(C)(CO)CO ZINC000093502678 398219797 /nfs/dbraw/zinc/21/97/97/398219797.db2.gz RMMCXHNXLITCMY-UHFFFAOYSA-N 1 2 213.281 -0.168 20 0 BBADLO C[N@H+](Cc1c[nH]cn1)CC(C)(CO)CO ZINC000093502678 398219793 /nfs/dbraw/zinc/21/97/93/398219793.db2.gz RMMCXHNXLITCMY-UHFFFAOYSA-N 1 2 213.281 -0.168 20 0 BBADLO C[N@@H+](Cc1cnc[nH]1)CC(C)(CO)CO ZINC000093502678 398219791 /nfs/dbraw/zinc/21/97/91/398219791.db2.gz RMMCXHNXLITCMY-UHFFFAOYSA-N 1 2 213.281 -0.168 20 0 BBADLO C[N@H+](Cc1cnc[nH]1)CC(C)(CO)CO ZINC000093502678 398219789 /nfs/dbraw/zinc/21/97/89/398219789.db2.gz RMMCXHNXLITCMY-UHFFFAOYSA-N 1 2 213.281 -0.168 20 0 BBADLO C[N@@H+](Cc1cc[nH]n1)CC(C)(CO)CO ZINC000093502915 386386098 /nfs/dbraw/zinc/38/60/98/386386098.db2.gz PSOBSBPHHMXWEG-UHFFFAOYSA-N 1 2 213.281 -0.168 20 0 BBADLO C[N@H+](Cc1cc[nH]n1)CC(C)(CO)CO ZINC000093502915 386386091 /nfs/dbraw/zinc/38/60/91/386386091.db2.gz PSOBSBPHHMXWEG-UHFFFAOYSA-N 1 2 213.281 -0.168 20 0 BBADLO C[C@H](O)C(=O)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000093706598 345663363 /nfs/dbraw/zinc/66/33/63/345663363.db2.gz ZRSWOUMGCMNGLW-VIFPVBQESA-N 1 2 238.291 -0.565 20 0 BBADLO C[C@H](O)C(=O)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000093706598 345663361 /nfs/dbraw/zinc/66/33/61/345663361.db2.gz ZRSWOUMGCMNGLW-VIFPVBQESA-N 1 2 238.291 -0.565 20 0 BBADLO C[C@@H](O)C(=O)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000093706599 345663092 /nfs/dbraw/zinc/66/30/92/345663092.db2.gz ZRSWOUMGCMNGLW-SECBINFHSA-N 1 2 238.291 -0.565 20 0 BBADLO C[C@@H](O)C(=O)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000093706599 345663090 /nfs/dbraw/zinc/66/30/90/345663090.db2.gz ZRSWOUMGCMNGLW-SECBINFHSA-N 1 2 238.291 -0.565 20 0 BBADLO C[C@H]1OCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000094178973 384698902 /nfs/dbraw/zinc/69/89/02/384698902.db2.gz SWTSRTKAJXMATH-GHMZBOCLSA-N 1 2 242.319 -0.452 20 0 BBADLO C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000094178974 200664082 /nfs/dbraw/zinc/66/40/82/200664082.db2.gz SWTSRTKAJXMATH-WDEREUQCSA-N 1 2 242.319 -0.452 20 0 BBADLO C[C@H]1OCC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000094178975 384698888 /nfs/dbraw/zinc/69/88/88/384698888.db2.gz SWTSRTKAJXMATH-MNOVXSKESA-N 1 2 242.319 -0.452 20 0 BBADLO C[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000094178976 384698957 /nfs/dbraw/zinc/69/89/57/384698957.db2.gz SWTSRTKAJXMATH-QWRGUYRKSA-N 1 2 242.319 -0.452 20 0 BBADLO Cn1cc(NC[C@H](O)C[NH+]2CCOCC2)cn1 ZINC000094196469 343151066 /nfs/dbraw/zinc/15/10/66/343151066.db2.gz KZMLVSHYUWIDMK-NSHDSACASA-N 1 2 240.307 -0.475 20 0 BBADLO Cn1cc(NC[C@@H](O)C[NH+]2CCOCC2)cn1 ZINC000094196470 343151018 /nfs/dbraw/zinc/15/10/18/343151018.db2.gz KZMLVSHYUWIDMK-LLVKDONJSA-N 1 2 240.307 -0.475 20 0 BBADLO Cn1ncc2c1nc[nH+]c2N1CCO[C@H](CO)C1 ZINC000094267285 383851616 /nfs/dbraw/zinc/85/16/16/383851616.db2.gz VDRHEWNESWUBFL-QMMMGPOBSA-N 1 2 249.274 -0.439 20 0 BBADLO Cn1ncc2c1nc[nH+]c2N1CCO[C@@H](CO)C1 ZINC000094267286 383851171 /nfs/dbraw/zinc/85/11/71/383851171.db2.gz VDRHEWNESWUBFL-MRVPVSSYSA-N 1 2 249.274 -0.439 20 0 BBADLO COC(=O)[C@H]1CC[N@@H+](Cc2ncnn2C)C1 ZINC000094267491 383844701 /nfs/dbraw/zinc/84/47/01/383844701.db2.gz OZSSPPUGOQRXII-QMMMGPOBSA-N 1 2 224.264 -0.190 20 0 BBADLO COC(=O)[C@H]1CC[N@H+](Cc2ncnn2C)C1 ZINC000094267491 383844691 /nfs/dbraw/zinc/84/46/91/383844691.db2.gz OZSSPPUGOQRXII-QMMMGPOBSA-N 1 2 224.264 -0.190 20 0 BBADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ncnn2C)C1 ZINC000094267492 383842930 /nfs/dbraw/zinc/84/29/30/383842930.db2.gz OZSSPPUGOQRXII-MRVPVSSYSA-N 1 2 224.264 -0.190 20 0 BBADLO COC(=O)[C@@H]1CC[N@H+](Cc2ncnn2C)C1 ZINC000094267492 383842924 /nfs/dbraw/zinc/84/29/24/383842924.db2.gz OZSSPPUGOQRXII-MRVPVSSYSA-N 1 2 224.264 -0.190 20 0 BBADLO CCN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@H](CO)C1 ZINC000094267670 386447643 /nfs/dbraw/zinc/44/76/43/386447643.db2.gz LTQGAIXATMUDPZ-MNOVXSKESA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](CO)C1 ZINC000094267670 386447638 /nfs/dbraw/zinc/44/76/38/386447638.db2.gz LTQGAIXATMUDPZ-MNOVXSKESA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@H](CO)C1 ZINC000094267671 386446903 /nfs/dbraw/zinc/44/69/03/386446903.db2.gz LTQGAIXATMUDPZ-QWRGUYRKSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@H](CO)C1 ZINC000094267671 386446891 /nfs/dbraw/zinc/44/68/91/386446891.db2.gz LTQGAIXATMUDPZ-QWRGUYRKSA-N 1 2 244.335 -0.064 20 0 BBADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCO[C@H](CO)C1 ZINC000094268241 191070343 /nfs/dbraw/zinc/07/03/43/191070343.db2.gz HLGVEUHSADBILI-UWVGGRQHSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCO[C@H](CO)C1 ZINC000094268241 191070340 /nfs/dbraw/zinc/07/03/40/191070340.db2.gz HLGVEUHSADBILI-UWVGGRQHSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCO[C@H](CO)C1 ZINC000094268242 191070489 /nfs/dbraw/zinc/07/04/89/191070489.db2.gz HLGVEUHSADBILI-ZJUUUORDSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCO[C@H](CO)C1 ZINC000094268242 191070488 /nfs/dbraw/zinc/07/04/88/191070488.db2.gz HLGVEUHSADBILI-ZJUUUORDSA-N 1 2 244.335 -0.017 20 0 BBADLO COC(=O)c1ccc(C[N@@H+](C)CC(N)=O)nc1 ZINC000094762178 173874179 /nfs/dbraw/zinc/87/41/79/173874179.db2.gz OBXSSUCQGUOASW-UHFFFAOYSA-N 1 2 237.259 -0.215 20 0 BBADLO COC(=O)c1ccc(C[N@H+](C)CC(N)=O)nc1 ZINC000094762178 173874177 /nfs/dbraw/zinc/87/41/77/173874177.db2.gz OBXSSUCQGUOASW-UHFFFAOYSA-N 1 2 237.259 -0.215 20 0 BBADLO C[C@]1(C(=O)N2CC[NH+](CCO)CC2)CCCO1 ZINC000094789923 385769309 /nfs/dbraw/zinc/76/93/09/385769309.db2.gz OKNDLCJQQTUDNF-GFCCVEGCSA-N 1 2 242.319 -0.308 20 0 BBADLO C[C@@]1(C(=O)N2CC[NH+](CCO)CC2)CCCO1 ZINC000094789924 385769758 /nfs/dbraw/zinc/76/97/58/385769758.db2.gz OKNDLCJQQTUDNF-LBPRGKRZSA-N 1 2 242.319 -0.308 20 0 BBADLO CCOC(=O)COCC[N@H+]1CCNC(=O)[C@@H]1C ZINC000094805456 360320413 /nfs/dbraw/zinc/32/04/13/360320413.db2.gz LPOSVQRRDMGWAS-VIFPVBQESA-N 1 2 244.291 -0.614 20 0 BBADLO CCOC(=O)COCC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000094805456 360320410 /nfs/dbraw/zinc/32/04/10/360320410.db2.gz LPOSVQRRDMGWAS-VIFPVBQESA-N 1 2 244.291 -0.614 20 0 BBADLO CCOC(=O)COCC[N@H+]1CCNC(=O)[C@H]1C ZINC000094805457 360320581 /nfs/dbraw/zinc/32/05/81/360320581.db2.gz LPOSVQRRDMGWAS-SECBINFHSA-N 1 2 244.291 -0.614 20 0 BBADLO CCOC(=O)COCC[N@@H+]1CCNC(=O)[C@H]1C ZINC000094805457 360320576 /nfs/dbraw/zinc/32/05/76/360320576.db2.gz LPOSVQRRDMGWAS-SECBINFHSA-N 1 2 244.291 -0.614 20 0 BBADLO CCOC(=O)COCC[N@H+]1CCN(C)C(=O)C1 ZINC000094805500 344331497 /nfs/dbraw/zinc/33/14/97/344331497.db2.gz DJZJKNMMQQZOBF-UHFFFAOYSA-N 1 2 244.291 -0.660 20 0 BBADLO CCOC(=O)COCC[N@@H+]1CCN(C)C(=O)C1 ZINC000094805500 344331496 /nfs/dbraw/zinc/33/14/96/344331496.db2.gz DJZJKNMMQQZOBF-UHFFFAOYSA-N 1 2 244.291 -0.660 20 0 BBADLO Cc1ncoc1C(=O)N1CC[NH+](CCO)CC1 ZINC000094816860 360320451 /nfs/dbraw/zinc/32/04/51/360320451.db2.gz VKZYBCICJDCCON-UHFFFAOYSA-N 1 2 239.275 -0.267 20 0 BBADLO NC(=O)c1ccc(NCCn2cc[nH+]c2)nn1 ZINC000095010352 181300484 /nfs/dbraw/zinc/30/04/84/181300484.db2.gz IJYDBYIIEHSEPH-UHFFFAOYSA-N 1 2 232.247 -0.116 20 0 BBADLO Cn1cc[nH+]c1CNc1ccc(C(N)=O)nn1 ZINC000095011526 360329630 /nfs/dbraw/zinc/32/96/30/360329630.db2.gz DTYRZJMAESOJSK-UHFFFAOYSA-N 1 2 232.247 -0.079 20 0 BBADLO O=C(NCCC[NH+]1CCOCC1)c1ncn[nH]1 ZINC000095039393 182168897 /nfs/dbraw/zinc/16/88/97/182168897.db2.gz LOQSNIUWXVZRLC-UHFFFAOYSA-N 1 2 239.279 -0.743 20 0 BBADLO O=C(NCCC[NH+]1CCOCC1)c1nnc[nH]1 ZINC000095039393 182168896 /nfs/dbraw/zinc/16/88/96/182168896.db2.gz LOQSNIUWXVZRLC-UHFFFAOYSA-N 1 2 239.279 -0.743 20 0 BBADLO C(C[NH+]1CCOCC1)SCc1nn[nH]n1 ZINC000095128548 345681761 /nfs/dbraw/zinc/68/17/61/345681761.db2.gz YNGJJPAFYXUGRI-UHFFFAOYSA-N 1 2 229.309 -0.235 20 0 BBADLO Nc1cc(N)[nH+]c(SCc2nn[nH]n2)n1 ZINC000095217752 345684217 /nfs/dbraw/zinc/68/42/17/345684217.db2.gz DZZGTKKLIFTQSR-UHFFFAOYSA-N 1 2 224.253 -0.554 20 0 BBADLO C[N@@H+](CC(N)=O)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000095294867 607483040 /nfs/dbraw/zinc/48/30/40/607483040.db2.gz PSZKLECAVRDHBT-UHFFFAOYSA-N 1 2 247.262 -0.821 20 0 BBADLO C[N@H+](CC(N)=O)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000095294867 607483038 /nfs/dbraw/zinc/48/30/38/607483038.db2.gz PSZKLECAVRDHBT-UHFFFAOYSA-N 1 2 247.262 -0.821 20 0 BBADLO CC[NH+]1CCN(C(=O)CCc2nn[nH]n2)CC1 ZINC000095301021 487578017 /nfs/dbraw/zinc/57/80/17/487578017.db2.gz ONHDROFXEJVGCY-UHFFFAOYSA-N 1 2 238.295 -0.704 20 0 BBADLO C[NH+]1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 ZINC000095308791 598383979 /nfs/dbraw/zinc/38/39/79/598383979.db2.gz NXEKDWIJEZPQTJ-UHFFFAOYSA-N 1 2 246.278 -0.592 20 0 BBADLO C[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC000095327283 598334094 /nfs/dbraw/zinc/33/40/94/598334094.db2.gz ZIGFVJGRCGRPQJ-UHFFFAOYSA-N 1 2 246.278 -0.592 20 0 BBADLO C[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC000095327285 607986809 /nfs/dbraw/zinc/98/68/09/607986809.db2.gz SBQKIQLSNQWLLZ-UHFFFAOYSA-N 1 2 246.278 -0.592 20 0 BBADLO OCc1nnn2c1C[N@@H+](CC1CC1)CC2 ZINC000096255959 183171240 /nfs/dbraw/zinc/17/12/40/183171240.db2.gz WBOJALSZNWIVDG-UHFFFAOYSA-N 1 2 208.265 -0.004 20 0 BBADLO OCc1nnn2c1C[N@H+](CC1CC1)CC2 ZINC000096255959 183171238 /nfs/dbraw/zinc/17/12/38/183171238.db2.gz WBOJALSZNWIVDG-UHFFFAOYSA-N 1 2 208.265 -0.004 20 0 BBADLO CCOC(=O)[C@@H]1CCCC[N@H+]1C[C@H](O)CO ZINC000096464921 644814578 /nfs/dbraw/zinc/81/45/78/644814578.db2.gz DZZBMJIFNHTWSF-UWVGGRQHSA-N 1 2 231.292 -0.243 20 0 BBADLO CCOC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)CO ZINC000096464921 644814571 /nfs/dbraw/zinc/81/45/71/644814571.db2.gz DZZBMJIFNHTWSF-UWVGGRQHSA-N 1 2 231.292 -0.243 20 0 BBADLO CCOC(=O)[C@H]1CCCC[N@H+]1C[C@H](O)CO ZINC000096464923 644815717 /nfs/dbraw/zinc/81/57/17/644815717.db2.gz DZZBMJIFNHTWSF-VHSXEESVSA-N 1 2 231.292 -0.243 20 0 BBADLO CCOC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)CO ZINC000096464923 644815713 /nfs/dbraw/zinc/81/57/13/644815713.db2.gz DZZBMJIFNHTWSF-VHSXEESVSA-N 1 2 231.292 -0.243 20 0 BBADLO CCCS(=O)(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000096478223 385967362 /nfs/dbraw/zinc/96/73/62/385967362.db2.gz GEWYTKIAWIRTNS-SNVBAGLBSA-N 1 2 249.380 -0.438 20 0 BBADLO CCCS(=O)(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000096478223 385967357 /nfs/dbraw/zinc/96/73/57/385967357.db2.gz GEWYTKIAWIRTNS-SNVBAGLBSA-N 1 2 249.380 -0.438 20 0 BBADLO CCCS(=O)(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000096478225 385965472 /nfs/dbraw/zinc/96/54/72/385965472.db2.gz GEWYTKIAWIRTNS-JTQLQIEISA-N 1 2 249.380 -0.438 20 0 BBADLO CCCS(=O)(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000096478225 385965464 /nfs/dbraw/zinc/96/54/64/385965464.db2.gz GEWYTKIAWIRTNS-JTQLQIEISA-N 1 2 249.380 -0.438 20 0 BBADLO CCS(=O)(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000096478227 350678899 /nfs/dbraw/zinc/67/88/99/350678899.db2.gz GGWHZMIOXSSEGT-SECBINFHSA-N 1 2 235.353 -0.829 20 0 BBADLO CCS(=O)(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000096478227 350678894 /nfs/dbraw/zinc/67/88/94/350678894.db2.gz GGWHZMIOXSSEGT-SECBINFHSA-N 1 2 235.353 -0.829 20 0 BBADLO CCS(=O)(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000096478229 350679106 /nfs/dbraw/zinc/67/91/06/350679106.db2.gz GGWHZMIOXSSEGT-VIFPVBQESA-N 1 2 235.353 -0.829 20 0 BBADLO CCS(=O)(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000096478229 350679104 /nfs/dbraw/zinc/67/91/04/350679104.db2.gz GGWHZMIOXSSEGT-VIFPVBQESA-N 1 2 235.353 -0.829 20 0 BBADLO CCOC[C@H](O)C[N@H+]1CCO[C@H](C(=O)OC)C1 ZINC000096544166 360350001 /nfs/dbraw/zinc/35/00/01/360350001.db2.gz SWRVCQGVEUYVEG-ZJUUUORDSA-N 1 2 247.291 -0.742 20 0 BBADLO CCOC[C@H](O)C[N@@H+]1CCO[C@H](C(=O)OC)C1 ZINC000096544166 360349997 /nfs/dbraw/zinc/34/99/97/360349997.db2.gz SWRVCQGVEUYVEG-ZJUUUORDSA-N 1 2 247.291 -0.742 20 0 BBADLO CCOC[C@@H](O)C[N@H+]1CCO[C@H](C(=O)OC)C1 ZINC000096544167 360350508 /nfs/dbraw/zinc/35/05/08/360350508.db2.gz SWRVCQGVEUYVEG-UWVGGRQHSA-N 1 2 247.291 -0.742 20 0 BBADLO CCOC[C@@H](O)C[N@@H+]1CCO[C@H](C(=O)OC)C1 ZINC000096544167 360350504 /nfs/dbraw/zinc/35/05/04/360350504.db2.gz SWRVCQGVEUYVEG-UWVGGRQHSA-N 1 2 247.291 -0.742 20 0 BBADLO COCC[N@@H+](CCC(=O)OC)CC(=O)OC ZINC000096544207 350680435 /nfs/dbraw/zinc/68/04/35/350680435.db2.gz YWZVYRYHCZZKSX-UHFFFAOYSA-N 1 2 233.264 -0.329 20 0 BBADLO COCC[N@H+](CCC(=O)OC)CC(=O)OC ZINC000096544207 350680432 /nfs/dbraw/zinc/68/04/32/350680432.db2.gz YWZVYRYHCZZKSX-UHFFFAOYSA-N 1 2 233.264 -0.329 20 0 BBADLO O=C([C@H]1CNC(=O)C1)N1CCn2cc[nH+]c2C1 ZINC000096578384 386609698 /nfs/dbraw/zinc/60/96/98/386609698.db2.gz BKXXNQQSSFUDHO-MRVPVSSYSA-N 1 2 234.259 -0.639 20 0 BBADLO O=C([C@@H]1CNC(=O)C1)N1CCn2cc[nH+]c2C1 ZINC000096578385 398254553 /nfs/dbraw/zinc/25/45/53/398254553.db2.gz BKXXNQQSSFUDHO-QMMMGPOBSA-N 1 2 234.259 -0.639 20 0 BBADLO COC(=O)CCC[N@H+]1CCO[C@H](C(=O)OC)C1 ZINC000096630440 360351455 /nfs/dbraw/zinc/35/14/55/360351455.db2.gz LJOVXQDBEIJSOV-VIFPVBQESA-N 1 2 245.275 -0.187 20 0 BBADLO COC(=O)CCC[N@@H+]1CCO[C@H](C(=O)OC)C1 ZINC000096630440 360351453 /nfs/dbraw/zinc/35/14/53/360351453.db2.gz LJOVXQDBEIJSOV-VIFPVBQESA-N 1 2 245.275 -0.187 20 0 BBADLO COC(=O)CCC[N@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000096630441 360351362 /nfs/dbraw/zinc/35/13/62/360351362.db2.gz LJOVXQDBEIJSOV-SECBINFHSA-N 1 2 245.275 -0.187 20 0 BBADLO COC(=O)CCC[N@@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000096630441 360351360 /nfs/dbraw/zinc/35/13/60/360351360.db2.gz LJOVXQDBEIJSOV-SECBINFHSA-N 1 2 245.275 -0.187 20 0 BBADLO C[NH+]1CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC000096784902 173068169 /nfs/dbraw/zinc/06/81/69/173068169.db2.gz ICGZTMMIWOGDGD-UHFFFAOYSA-N 1 2 208.265 -0.274 20 0 BBADLO CC(C)NC(=O)C[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC000096954399 167048286 /nfs/dbraw/zinc/04/82/86/167048286.db2.gz TXLLVYGYNFJJAR-VIFPVBQESA-N 1 2 229.324 -0.081 20 0 BBADLO CC(C)NC(=O)C[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC000096954399 167048284 /nfs/dbraw/zinc/04/82/84/167048284.db2.gz TXLLVYGYNFJJAR-VIFPVBQESA-N 1 2 229.324 -0.081 20 0 BBADLO CC(C)NC(=O)C[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC000096954400 167049578 /nfs/dbraw/zinc/04/95/78/167049578.db2.gz TXLLVYGYNFJJAR-SECBINFHSA-N 1 2 229.324 -0.081 20 0 BBADLO CC(C)NC(=O)C[N@H+](C)[C@H](C)C(=O)N(C)C ZINC000096954400 167049577 /nfs/dbraw/zinc/04/95/77/167049577.db2.gz TXLLVYGYNFJJAR-SECBINFHSA-N 1 2 229.324 -0.081 20 0 BBADLO CCC(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC000097504515 384248138 /nfs/dbraw/zinc/24/81/38/384248138.db2.gz UVWGNAYZXQBFIL-VIFPVBQESA-N 1 2 227.308 -0.196 20 0 BBADLO CCC(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC000097504515 384248133 /nfs/dbraw/zinc/24/81/33/384248133.db2.gz UVWGNAYZXQBFIL-VIFPVBQESA-N 1 2 227.308 -0.196 20 0 BBADLO CCC(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC000097504517 384246349 /nfs/dbraw/zinc/24/63/49/384246349.db2.gz UVWGNAYZXQBFIL-SECBINFHSA-N 1 2 227.308 -0.196 20 0 BBADLO CCC(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC000097504517 384246342 /nfs/dbraw/zinc/24/63/42/384246342.db2.gz UVWGNAYZXQBFIL-SECBINFHSA-N 1 2 227.308 -0.196 20 0 BBADLO C[NH+]1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000097598541 173091736 /nfs/dbraw/zinc/09/17/36/173091736.db2.gz JWNXPOSAOVOJQB-UHFFFAOYSA-N 1 2 245.304 -0.248 20 0 BBADLO NC(=O)[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000097600543 181271759 /nfs/dbraw/zinc/27/17/59/181271759.db2.gz PELIHVZVLKTNPS-JTQLQIEISA-N 1 2 221.260 -0.232 20 0 BBADLO NC(=O)[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000097600543 181271756 /nfs/dbraw/zinc/27/17/56/181271756.db2.gz PELIHVZVLKTNPS-JTQLQIEISA-N 1 2 221.260 -0.232 20 0 BBADLO NC(=O)[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000097600544 181283170 /nfs/dbraw/zinc/28/31/70/181283170.db2.gz PELIHVZVLKTNPS-SNVBAGLBSA-N 1 2 221.260 -0.232 20 0 BBADLO NC(=O)[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000097600544 181283168 /nfs/dbraw/zinc/28/31/68/181283168.db2.gz PELIHVZVLKTNPS-SNVBAGLBSA-N 1 2 221.260 -0.232 20 0 BBADLO COC[C@H](C)[N@H+]1CCO[C@H](C(=O)OC)C1 ZINC000097989399 386575464 /nfs/dbraw/zinc/57/54/64/386575464.db2.gz CSDNMEBIBGQHLC-IUCAKERBSA-N 1 2 217.265 -0.105 20 0 BBADLO COC[C@H](C)[N@@H+]1CCO[C@H](C(=O)OC)C1 ZINC000097989399 386575459 /nfs/dbraw/zinc/57/54/59/386575459.db2.gz CSDNMEBIBGQHLC-IUCAKERBSA-N 1 2 217.265 -0.105 20 0 BBADLO COC[C@@H](C)[N@H+]1CCO[C@H](C(=O)OC)C1 ZINC000097989400 386574574 /nfs/dbraw/zinc/57/45/74/386574574.db2.gz CSDNMEBIBGQHLC-BDAKNGLRSA-N 1 2 217.265 -0.105 20 0 BBADLO COC[C@@H](C)[N@@H+]1CCO[C@H](C(=O)OC)C1 ZINC000097989400 386574570 /nfs/dbraw/zinc/57/45/70/386574570.db2.gz CSDNMEBIBGQHLC-BDAKNGLRSA-N 1 2 217.265 -0.105 20 0 BBADLO COC(=O)CC[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000098004183 360387246 /nfs/dbraw/zinc/38/72/46/360387246.db2.gz JIYFVAWKDCBMLT-UHFFFAOYSA-N 1 2 243.307 -0.151 20 0 BBADLO CC(C)OC[C@H](O)C[N@H+]1CCNC(=O)C1 ZINC000098066290 167269968 /nfs/dbraw/zinc/26/99/68/167269968.db2.gz VRPQZNUROUFGGI-SECBINFHSA-N 1 2 216.281 -0.796 20 0 BBADLO CC(C)OC[C@H](O)C[N@@H+]1CCNC(=O)C1 ZINC000098066290 167269966 /nfs/dbraw/zinc/26/99/66/167269966.db2.gz VRPQZNUROUFGGI-SECBINFHSA-N 1 2 216.281 -0.796 20 0 BBADLO CC(C)OC[C@@H](O)C[N@H+]1CCNC(=O)C1 ZINC000098066291 167261417 /nfs/dbraw/zinc/26/14/17/167261417.db2.gz VRPQZNUROUFGGI-VIFPVBQESA-N 1 2 216.281 -0.796 20 0 BBADLO CC(C)OC[C@@H](O)C[N@@H+]1CCNC(=O)C1 ZINC000098066291 167261413 /nfs/dbraw/zinc/26/14/13/167261413.db2.gz VRPQZNUROUFGGI-VIFPVBQESA-N 1 2 216.281 -0.796 20 0 BBADLO CC(C)[NH+]1CCN(C(=O)c2nc(=O)[nH][nH]2)CC1 ZINC000098150407 386581218 /nfs/dbraw/zinc/58/12/18/386581218.db2.gz WNSROTJTEGIENP-UHFFFAOYSA-N 1 2 239.279 -0.736 20 0 BBADLO C[NH+]1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000098192980 173064523 /nfs/dbraw/zinc/06/45/23/173064523.db2.gz SQYURVQNMKWVFN-UHFFFAOYSA-N 1 2 225.292 -0.617 20 0 BBADLO COCCS(=O)(=O)NCCn1cc[nH+]c1 ZINC000101569064 174372202 /nfs/dbraw/zinc/37/22/02/174372202.db2.gz FLNVMZMEWUDFCC-UHFFFAOYSA-N 1 2 233.293 -0.551 20 0 BBADLO COCCS(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000101574938 174371831 /nfs/dbraw/zinc/37/18/31/174371831.db2.gz XFRYFALOXHDBGE-UHFFFAOYSA-N 1 2 248.348 -0.257 20 0 BBADLO NS(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000101923106 384691624 /nfs/dbraw/zinc/69/16/24/384691624.db2.gz BEGDTMIVTBTEBZ-UHFFFAOYSA-N 1 2 230.293 -0.277 20 0 BBADLO CC(C)[N@@H+](C)CCNC(=O)c1nc(=O)[nH][nH]1 ZINC000101953372 323166531 /nfs/dbraw/zinc/16/65/31/323166531.db2.gz QCTOVMANPZKNNX-UHFFFAOYSA-N 1 2 227.268 -0.832 20 0 BBADLO CC(C)[N@H+](C)CCNC(=O)c1nc(=O)[nH][nH]1 ZINC000101953372 323166530 /nfs/dbraw/zinc/16/65/30/323166530.db2.gz QCTOVMANPZKNNX-UHFFFAOYSA-N 1 2 227.268 -0.832 20 0 BBADLO CC[N@@H+](CCNC(=O)c1nc(=O)[nH][nH]1)C1CC1 ZINC000101957426 323166565 /nfs/dbraw/zinc/16/65/65/323166565.db2.gz DTVFZFWYOSDIPM-UHFFFAOYSA-N 1 2 239.279 -0.688 20 0 BBADLO CC[N@H+](CCNC(=O)c1nc(=O)[nH][nH]1)C1CC1 ZINC000101957426 323166564 /nfs/dbraw/zinc/16/65/64/323166564.db2.gz DTVFZFWYOSDIPM-UHFFFAOYSA-N 1 2 239.279 -0.688 20 0 BBADLO CCOC(=O)C[N@H+]1CCCN(C(N)=O)CC1 ZINC000102190677 384519784 /nfs/dbraw/zinc/51/97/84/384519784.db2.gz DHESYDKYSMCADA-UHFFFAOYSA-N 1 2 229.280 -0.364 20 0 BBADLO CCOC(=O)C[N@@H+]1CCCN(C(N)=O)CC1 ZINC000102190677 384519779 /nfs/dbraw/zinc/51/97/79/384519779.db2.gz DHESYDKYSMCADA-UHFFFAOYSA-N 1 2 229.280 -0.364 20 0 BBADLO OCCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000102300530 346507731 /nfs/dbraw/zinc/50/77/31/346507731.db2.gz VVIOJNQRECIEJM-UHFFFAOYSA-N 1 2 224.264 -0.283 20 0 BBADLO OCCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000102300530 346507728 /nfs/dbraw/zinc/50/77/28/346507728.db2.gz VVIOJNQRECIEJM-UHFFFAOYSA-N 1 2 224.264 -0.283 20 0 BBADLO CC[N@@H+](CCNC(=O)c1nc(=O)[nH][nH]1)C(C)C ZINC000102479762 357448182 /nfs/dbraw/zinc/44/81/82/357448182.db2.gz QWXNCLKMZVCLSZ-UHFFFAOYSA-N 1 2 241.295 -0.442 20 0 BBADLO CC[N@H+](CCNC(=O)c1nc(=O)[nH][nH]1)C(C)C ZINC000102479762 357448176 /nfs/dbraw/zinc/44/81/76/357448176.db2.gz QWXNCLKMZVCLSZ-UHFFFAOYSA-N 1 2 241.295 -0.442 20 0 BBADLO CCNC(=O)C[N@@H+](CC)[C@@H](C)C(=O)NC(N)=O ZINC000102673882 170057161 /nfs/dbraw/zinc/05/71/61/170057161.db2.gz JBYVGFBXKGNPGA-ZETCQYMHSA-N 1 2 244.295 -0.972 20 0 BBADLO CCNC(=O)C[N@H+](CC)[C@@H](C)C(=O)NC(N)=O ZINC000102673882 170057159 /nfs/dbraw/zinc/05/71/59/170057159.db2.gz JBYVGFBXKGNPGA-ZETCQYMHSA-N 1 2 244.295 -0.972 20 0 BBADLO CCNC(=O)C[N@@H+](CC)[C@H](C)C(=O)NC(N)=O ZINC000102673883 170058004 /nfs/dbraw/zinc/05/80/04/170058004.db2.gz JBYVGFBXKGNPGA-SSDOTTSWSA-N 1 2 244.295 -0.972 20 0 BBADLO CCNC(=O)C[N@H+](CC)[C@H](C)C(=O)NC(N)=O ZINC000102673883 170058002 /nfs/dbraw/zinc/05/80/02/170058002.db2.gz JBYVGFBXKGNPGA-SSDOTTSWSA-N 1 2 244.295 -0.972 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@@H+](C)CC(=O)NC1CC1 ZINC000102675004 386849918 /nfs/dbraw/zinc/84/99/18/386849918.db2.gz HLZFTTNPUAWYSG-QMMMGPOBSA-N 1 2 227.308 -0.327 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@H+](C)CC(=O)NC1CC1 ZINC000102675004 386849914 /nfs/dbraw/zinc/84/99/14/386849914.db2.gz HLZFTTNPUAWYSG-QMMMGPOBSA-N 1 2 227.308 -0.327 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@@H+](C)CC(=O)NC1CC1 ZINC000102675005 386851456 /nfs/dbraw/zinc/85/14/56/386851456.db2.gz HLZFTTNPUAWYSG-MRVPVSSYSA-N 1 2 227.308 -0.327 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@H+](C)CC(=O)NC1CC1 ZINC000102675005 386851449 /nfs/dbraw/zinc/85/14/49/386851449.db2.gz HLZFTTNPUAWYSG-MRVPVSSYSA-N 1 2 227.308 -0.327 20 0 BBADLO CCNC(=O)C[N@@H+](CC)[C@@H](C)C(=O)N(C)C ZINC000102689102 170057398 /nfs/dbraw/zinc/05/73/98/170057398.db2.gz DUYPJPCGDDFPJX-VIFPVBQESA-N 1 2 229.324 -0.079 20 0 BBADLO CCNC(=O)C[N@H+](CC)[C@@H](C)C(=O)N(C)C ZINC000102689102 170057397 /nfs/dbraw/zinc/05/73/97/170057397.db2.gz DUYPJPCGDDFPJX-VIFPVBQESA-N 1 2 229.324 -0.079 20 0 BBADLO CCNC(=O)C[N@@H+](CC)[C@H](C)C(=O)N(C)C ZINC000102689104 170057010 /nfs/dbraw/zinc/05/70/10/170057010.db2.gz DUYPJPCGDDFPJX-SECBINFHSA-N 1 2 229.324 -0.079 20 0 BBADLO CCNC(=O)C[N@H+](CC)[C@H](C)C(=O)N(C)C ZINC000102689104 170057009 /nfs/dbraw/zinc/05/70/09/170057009.db2.gz DUYPJPCGDDFPJX-SECBINFHSA-N 1 2 229.324 -0.079 20 0 BBADLO C[N@H+](Cc1nc(N)nc(N)n1)C[C@@H]1CCCO1 ZINC000102770757 384576629 /nfs/dbraw/zinc/57/66/29/384576629.db2.gz FLIMCJRLCCKNFI-ZETCQYMHSA-N 1 2 238.295 -0.353 20 0 BBADLO C[N@@H+](Cc1nc(N)nc(N)n1)C[C@@H]1CCCO1 ZINC000102770757 384576625 /nfs/dbraw/zinc/57/66/25/384576625.db2.gz FLIMCJRLCCKNFI-ZETCQYMHSA-N 1 2 238.295 -0.353 20 0 BBADLO C[N@H+](Cc1nc(N)nc(N)n1)C[C@H]1CCCO1 ZINC000102770763 384576786 /nfs/dbraw/zinc/57/67/86/384576786.db2.gz FLIMCJRLCCKNFI-SSDOTTSWSA-N 1 2 238.295 -0.353 20 0 BBADLO C[N@@H+](Cc1nc(N)nc(N)n1)C[C@H]1CCCO1 ZINC000102770763 384576781 /nfs/dbraw/zinc/57/67/81/384576781.db2.gz FLIMCJRLCCKNFI-SSDOTTSWSA-N 1 2 238.295 -0.353 20 0 BBADLO CN(CCS(C)(=O)=O)C(=O)[C@H]1CCC[N@H+]1C ZINC000102791343 587866678 /nfs/dbraw/zinc/86/66/78/587866678.db2.gz ZGOKSPIYSPJEJS-SECBINFHSA-N 1 2 248.348 -0.416 20 0 BBADLO CN(CCS(C)(=O)=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC000102791343 587866676 /nfs/dbraw/zinc/86/66/76/587866676.db2.gz ZGOKSPIYSPJEJS-SECBINFHSA-N 1 2 248.348 -0.416 20 0 BBADLO CN(CCS(C)(=O)=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC000102791344 587866909 /nfs/dbraw/zinc/86/69/09/587866909.db2.gz ZGOKSPIYSPJEJS-VIFPVBQESA-N 1 2 248.348 -0.416 20 0 BBADLO CN(CCS(C)(=O)=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000102791344 587866908 /nfs/dbraw/zinc/86/69/08/587866908.db2.gz ZGOKSPIYSPJEJS-VIFPVBQESA-N 1 2 248.348 -0.416 20 0 BBADLO Cn1cnnc1C[NH2+][C@@H]1CC(=O)N(C2CC2)C1=O ZINC000103083824 487952838 /nfs/dbraw/zinc/95/28/38/487952838.db2.gz LFVGLOIDSYXPIR-MRVPVSSYSA-N 1 2 249.274 -0.805 20 0 BBADLO CS(=O)(=O)CCC[N@H+]1CCCC[C@@H]1C(N)=O ZINC000103138876 384594538 /nfs/dbraw/zinc/59/45/38/384594538.db2.gz NLZRBXYAMJFBIG-SECBINFHSA-N 1 2 248.348 -0.239 20 0 BBADLO CS(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000103138876 384594532 /nfs/dbraw/zinc/59/45/32/384594532.db2.gz NLZRBXYAMJFBIG-SECBINFHSA-N 1 2 248.348 -0.239 20 0 BBADLO CS(=O)(=O)CCC[N@H+]1CCCC[C@H]1C(N)=O ZINC000103138877 384593849 /nfs/dbraw/zinc/59/38/49/384593849.db2.gz NLZRBXYAMJFBIG-VIFPVBQESA-N 1 2 248.348 -0.239 20 0 BBADLO CS(=O)(=O)CCC[N@@H+]1CCCC[C@H]1C(N)=O ZINC000103138877 384593845 /nfs/dbraw/zinc/59/38/45/384593845.db2.gz NLZRBXYAMJFBIG-VIFPVBQESA-N 1 2 248.348 -0.239 20 0 BBADLO CC(C)[N@@H+](CCCS(C)(=O)=O)CC(N)=O ZINC000103139197 384594425 /nfs/dbraw/zinc/59/44/25/384594425.db2.gz DLRUYLRVTSIDJB-UHFFFAOYSA-N 1 2 236.337 -0.383 20 0 BBADLO CC(C)[N@H+](CCCS(C)(=O)=O)CC(N)=O ZINC000103139197 384594421 /nfs/dbraw/zinc/59/44/21/384594421.db2.gz DLRUYLRVTSIDJB-UHFFFAOYSA-N 1 2 236.337 -0.383 20 0 BBADLO COC(=O)[C@@H]1C[N@@H+](CCn2cccn2)CCO1 ZINC000103147006 386576684 /nfs/dbraw/zinc/57/66/84/386576684.db2.gz AXCXXXDKTAORSO-JTQLQIEISA-N 1 2 239.275 -0.243 20 0 BBADLO COC(=O)[C@@H]1C[N@H+](CCn2cccn2)CCO1 ZINC000103147006 386576681 /nfs/dbraw/zinc/57/66/81/386576681.db2.gz AXCXXXDKTAORSO-JTQLQIEISA-N 1 2 239.275 -0.243 20 0 BBADLO COC(=O)[C@H]1C[N@@H+](CCn2cccn2)CCO1 ZINC000103147008 386578440 /nfs/dbraw/zinc/57/84/40/386578440.db2.gz AXCXXXDKTAORSO-SNVBAGLBSA-N 1 2 239.275 -0.243 20 0 BBADLO COC(=O)[C@H]1C[N@H+](CCn2cccn2)CCO1 ZINC000103147008 386578436 /nfs/dbraw/zinc/57/84/36/386578436.db2.gz AXCXXXDKTAORSO-SNVBAGLBSA-N 1 2 239.275 -0.243 20 0 BBADLO COC(=O)[C@@H]1CN(Cc2[nH+]ccn2C)CCO1 ZINC000103147299 386577929 /nfs/dbraw/zinc/57/79/29/386577929.db2.gz HPTNERGZENJJSU-VIFPVBQESA-N 1 2 239.275 -0.206 20 0 BBADLO COC(=O)[C@H]1CN(Cc2[nH+]ccn2C)CCO1 ZINC000103147300 386577973 /nfs/dbraw/zinc/57/79/73/386577973.db2.gz HPTNERGZENJJSU-SECBINFHSA-N 1 2 239.275 -0.206 20 0 BBADLO CCNC(=O)CC[N@H+]1CCO[C@H](C(=O)OC)C1 ZINC000103147512 170052038 /nfs/dbraw/zinc/05/20/38/170052038.db2.gz WPUDMLVONPLNHW-VIFPVBQESA-N 1 2 244.291 -0.614 20 0 BBADLO CCNC(=O)CC[N@@H+]1CCO[C@H](C(=O)OC)C1 ZINC000103147512 170052037 /nfs/dbraw/zinc/05/20/37/170052037.db2.gz WPUDMLVONPLNHW-VIFPVBQESA-N 1 2 244.291 -0.614 20 0 BBADLO CCNC(=O)CC[N@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000103147515 170051431 /nfs/dbraw/zinc/05/14/31/170051431.db2.gz WPUDMLVONPLNHW-SECBINFHSA-N 1 2 244.291 -0.614 20 0 BBADLO CCNC(=O)CC[N@@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000103147515 170051429 /nfs/dbraw/zinc/05/14/29/170051429.db2.gz WPUDMLVONPLNHW-SECBINFHSA-N 1 2 244.291 -0.614 20 0 BBADLO COC(=O)[C@@H]1C[N@@H+](CCCO)CCO1 ZINC000103148181 384808858 /nfs/dbraw/zinc/80/88/58/384808858.db2.gz DCKCXLDQTZFFCZ-QMMMGPOBSA-N 1 2 203.238 -0.757 20 0 BBADLO COC(=O)[C@@H]1C[N@H+](CCCO)CCO1 ZINC000103148181 384808850 /nfs/dbraw/zinc/80/88/50/384808850.db2.gz DCKCXLDQTZFFCZ-QMMMGPOBSA-N 1 2 203.238 -0.757 20 0 BBADLO COC(=O)[C@H]1C[N@@H+](CCCO)CCO1 ZINC000103148182 384810551 /nfs/dbraw/zinc/81/05/51/384810551.db2.gz DCKCXLDQTZFFCZ-MRVPVSSYSA-N 1 2 203.238 -0.757 20 0 BBADLO COC(=O)[C@H]1C[N@H+](CCCO)CCO1 ZINC000103148182 384810545 /nfs/dbraw/zinc/81/05/45/384810545.db2.gz DCKCXLDQTZFFCZ-MRVPVSSYSA-N 1 2 203.238 -0.757 20 0 BBADLO COC(=O)[C@@H]1C[N@@H+](CCC(C)=O)CCO1 ZINC000103149521 585063905 /nfs/dbraw/zinc/06/39/05/585063905.db2.gz KZDUKCGKUYIVHE-VIFPVBQESA-N 1 2 215.249 -0.161 20 0 BBADLO COC(=O)[C@@H]1C[N@H+](CCC(C)=O)CCO1 ZINC000103149521 585063904 /nfs/dbraw/zinc/06/39/04/585063904.db2.gz KZDUKCGKUYIVHE-VIFPVBQESA-N 1 2 215.249 -0.161 20 0 BBADLO COC(=O)[C@H]1C[N@@H+](CCC(C)=O)CCO1 ZINC000103149522 585063883 /nfs/dbraw/zinc/06/38/83/585063883.db2.gz KZDUKCGKUYIVHE-SECBINFHSA-N 1 2 215.249 -0.161 20 0 BBADLO COC(=O)[C@H]1C[N@H+](CCC(C)=O)CCO1 ZINC000103149522 585063882 /nfs/dbraw/zinc/06/38/82/585063882.db2.gz KZDUKCGKUYIVHE-SECBINFHSA-N 1 2 215.249 -0.161 20 0 BBADLO CCOCC[N@H+]1CCO[C@H](C(=O)OC)C1 ZINC000103230451 384820916 /nfs/dbraw/zinc/82/09/16/384820916.db2.gz BIWOHRPIVXIIKR-VIFPVBQESA-N 1 2 217.265 -0.103 20 0 BBADLO CCOCC[N@@H+]1CCO[C@H](C(=O)OC)C1 ZINC000103230451 384820915 /nfs/dbraw/zinc/82/09/15/384820915.db2.gz BIWOHRPIVXIIKR-VIFPVBQESA-N 1 2 217.265 -0.103 20 0 BBADLO CCOCC[N@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000103230453 384819932 /nfs/dbraw/zinc/81/99/32/384819932.db2.gz BIWOHRPIVXIIKR-SECBINFHSA-N 1 2 217.265 -0.103 20 0 BBADLO CCOCC[N@@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000103230453 384819925 /nfs/dbraw/zinc/81/99/25/384819925.db2.gz BIWOHRPIVXIIKR-SECBINFHSA-N 1 2 217.265 -0.103 20 0 BBADLO CC(C)N(C)C(=O)C[N@H+]1CCNC(=O)CC1 ZINC000103231132 187302043 /nfs/dbraw/zinc/30/20/43/187302043.db2.gz GLJHTRRMJYXIFE-UHFFFAOYSA-N 1 2 227.308 -0.325 20 0 BBADLO CC(C)N(C)C(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000103231132 187302041 /nfs/dbraw/zinc/30/20/41/187302041.db2.gz GLJHTRRMJYXIFE-UHFFFAOYSA-N 1 2 227.308 -0.325 20 0 BBADLO CC(C)[N@@H+](C)CC(=O)N1CCS(=O)(=O)CC1 ZINC000103278195 188335819 /nfs/dbraw/zinc/33/58/19/188335819.db2.gz GVQRNFNPNHXXCJ-UHFFFAOYSA-N 1 2 248.348 -0.416 20 0 BBADLO CC(C)[N@H+](C)CC(=O)N1CCS(=O)(=O)CC1 ZINC000103278195 188335817 /nfs/dbraw/zinc/33/58/17/188335817.db2.gz GVQRNFNPNHXXCJ-UHFFFAOYSA-N 1 2 248.348 -0.416 20 0 BBADLO C[N@H+]1CCC[C@@H]1C(=O)N1CCS(=O)(=O)CC1 ZINC000103278877 384822856 /nfs/dbraw/zinc/82/28/56/384822856.db2.gz VSWCBSMXYAKZKN-SECBINFHSA-N 1 2 246.332 -0.662 20 0 BBADLO C[N@@H+]1CCC[C@@H]1C(=O)N1CCS(=O)(=O)CC1 ZINC000103278877 384822850 /nfs/dbraw/zinc/82/28/50/384822850.db2.gz VSWCBSMXYAKZKN-SECBINFHSA-N 1 2 246.332 -0.662 20 0 BBADLO C[N@H+]1CCC[C@H]1C(=O)N1CCS(=O)(=O)CC1 ZINC000103278879 384823440 /nfs/dbraw/zinc/82/34/40/384823440.db2.gz VSWCBSMXYAKZKN-VIFPVBQESA-N 1 2 246.332 -0.662 20 0 BBADLO C[N@@H+]1CCC[C@H]1C(=O)N1CCS(=O)(=O)CC1 ZINC000103278879 384823436 /nfs/dbraw/zinc/82/34/36/384823436.db2.gz VSWCBSMXYAKZKN-VIFPVBQESA-N 1 2 246.332 -0.662 20 0 BBADLO COC[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000103426449 386577276 /nfs/dbraw/zinc/57/72/76/386577276.db2.gz VVIMSNULIADYGF-JTQLQIEISA-N 1 2 230.308 -0.283 20 0 BBADLO COC[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000103426452 386576736 /nfs/dbraw/zinc/57/67/36/386576736.db2.gz VVIMSNULIADYGF-SNVBAGLBSA-N 1 2 230.308 -0.283 20 0 BBADLO COC(=O)CNC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000103467708 386577476 /nfs/dbraw/zinc/57/74/76/386577476.db2.gz DCZXUOUGNQTJTF-QMMMGPOBSA-N 1 2 246.332 -0.287 20 0 BBADLO COC(=O)CNC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000103467709 386578511 /nfs/dbraw/zinc/57/85/11/386578511.db2.gz DCZXUOUGNQTJTF-MRVPVSSYSA-N 1 2 246.332 -0.287 20 0 BBADLO C[N@@H+](CCC(=O)NC(N)=O)CC(F)F ZINC000103488603 386964456 /nfs/dbraw/zinc/96/44/56/386964456.db2.gz VUSIXVJUCNJKEU-UHFFFAOYSA-N 1 2 209.196 -0.232 20 0 BBADLO C[N@H+](CCC(=O)NC(N)=O)CC(F)F ZINC000103488603 386964449 /nfs/dbraw/zinc/96/44/49/386964449.db2.gz VUSIXVJUCNJKEU-UHFFFAOYSA-N 1 2 209.196 -0.232 20 0 BBADLO CCCNC(=O)C[N@H+]1CCC2(C1)OCCO2 ZINC000104082396 587933718 /nfs/dbraw/zinc/93/37/18/587933718.db2.gz NULIFJFPLSOEDA-UHFFFAOYSA-N 1 2 228.292 -0.039 20 0 BBADLO CCCNC(=O)C[N@@H+]1CCC2(C1)OCCO2 ZINC000104082396 587933717 /nfs/dbraw/zinc/93/37/17/587933717.db2.gz NULIFJFPLSOEDA-UHFFFAOYSA-N 1 2 228.292 -0.039 20 0 BBADLO C[C@@H](C(N)=O)[N@H+]1CCC2(C1)OCCO2 ZINC000104082583 587933678 /nfs/dbraw/zinc/93/36/78/587933678.db2.gz ADBGIIULHPYVSN-ZETCQYMHSA-N 1 2 200.238 -0.691 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+]1CCC2(C1)OCCO2 ZINC000104082583 587933676 /nfs/dbraw/zinc/93/36/76/587933676.db2.gz ADBGIIULHPYVSN-ZETCQYMHSA-N 1 2 200.238 -0.691 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1CCC2(C1)OCCO2 ZINC000104082586 587933937 /nfs/dbraw/zinc/93/39/37/587933937.db2.gz ADBGIIULHPYVSN-SSDOTTSWSA-N 1 2 200.238 -0.691 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CCC2(C1)OCCO2 ZINC000104082586 587933936 /nfs/dbraw/zinc/93/39/36/587933936.db2.gz ADBGIIULHPYVSN-SSDOTTSWSA-N 1 2 200.238 -0.691 20 0 BBADLO CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000104094973 384928328 /nfs/dbraw/zinc/92/83/28/384928328.db2.gz MGCPMQWAAAEMCJ-UHFFFAOYSA-N 1 2 222.310 -0.742 20 0 BBADLO CNS(=O)(=O)CCC[N@H+]1CCOC[C@H]1C ZINC000104098807 384927930 /nfs/dbraw/zinc/92/79/30/384927930.db2.gz AXOWXBAOXLVNKR-SECBINFHSA-N 1 2 236.337 -0.354 20 0 BBADLO CNS(=O)(=O)CCC[N@@H+]1CCOC[C@H]1C ZINC000104098807 384927925 /nfs/dbraw/zinc/92/79/25/384927925.db2.gz AXOWXBAOXLVNKR-SECBINFHSA-N 1 2 236.337 -0.354 20 0 BBADLO CNS(=O)(=O)CCC[N@H+]1CCOC[C@@H]1C ZINC000104098810 384928371 /nfs/dbraw/zinc/92/83/71/384928371.db2.gz AXOWXBAOXLVNKR-VIFPVBQESA-N 1 2 236.337 -0.354 20 0 BBADLO CNS(=O)(=O)CCC[N@@H+]1CCOC[C@@H]1C ZINC000104098810 384928369 /nfs/dbraw/zinc/92/83/69/384928369.db2.gz AXOWXBAOXLVNKR-VIFPVBQESA-N 1 2 236.337 -0.354 20 0 BBADLO COCCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000104104072 174257754 /nfs/dbraw/zinc/25/77/54/174257754.db2.gz XOHKYHBHUKKTHS-UHFFFAOYSA-N 1 2 236.337 -0.400 20 0 BBADLO COC(=O)NC(C)(C)C(=O)N1CC[NH+](C)CC1 ZINC000104195935 323262408 /nfs/dbraw/zinc/26/24/08/323262408.db2.gz JNVIKKJUJBRSIY-UHFFFAOYSA-N 1 2 243.307 -0.105 20 0 BBADLO COCC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000104591282 174054469 /nfs/dbraw/zinc/05/44/69/174054469.db2.gz LWLPSFHUCVOWDB-VHSXEESVSA-N 1 2 230.308 -0.142 20 0 BBADLO COCC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000104591284 174055456 /nfs/dbraw/zinc/05/54/56/174055456.db2.gz LWLPSFHUCVOWDB-NXEZZACHSA-N 1 2 230.308 -0.142 20 0 BBADLO COCC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000104591286 174053781 /nfs/dbraw/zinc/05/37/81/174053781.db2.gz LWLPSFHUCVOWDB-UWVGGRQHSA-N 1 2 230.308 -0.142 20 0 BBADLO COCC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000104591290 174055370 /nfs/dbraw/zinc/05/53/70/174055370.db2.gz LWLPSFHUCVOWDB-ZJUUUORDSA-N 1 2 230.308 -0.142 20 0 BBADLO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)NC1CC1 ZINC000104671162 134860179 /nfs/dbraw/zinc/86/01/79/134860179.db2.gz WJHNKNHZFZYFMC-JTQLQIEISA-N 1 2 239.319 -0.135 20 0 BBADLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC1 ZINC000104671162 134860176 /nfs/dbraw/zinc/86/01/76/134860176.db2.gz WJHNKNHZFZYFMC-JTQLQIEISA-N 1 2 239.319 -0.135 20 0 BBADLO CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)NC1CC1 ZINC000104671166 385006408 /nfs/dbraw/zinc/00/64/08/385006408.db2.gz WJHNKNHZFZYFMC-SNVBAGLBSA-N 1 2 239.319 -0.135 20 0 BBADLO CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)NC1CC1 ZINC000104671166 385006398 /nfs/dbraw/zinc/00/63/98/385006398.db2.gz WJHNKNHZFZYFMC-SNVBAGLBSA-N 1 2 239.319 -0.135 20 0 BBADLO CNC(=O)[C@@H]1CCCC[N@H+]1CCS(C)(=O)=O ZINC000104672770 588006113 /nfs/dbraw/zinc/00/61/13/588006113.db2.gz CJUGWCWIAWIHSP-VIFPVBQESA-N 1 2 248.348 -0.369 20 0 BBADLO CNC(=O)[C@@H]1CCCC[N@@H+]1CCS(C)(=O)=O ZINC000104672770 588006111 /nfs/dbraw/zinc/00/61/11/588006111.db2.gz CJUGWCWIAWIHSP-VIFPVBQESA-N 1 2 248.348 -0.369 20 0 BBADLO CNC(=O)[C@H]1CCCC[N@H+]1CCS(C)(=O)=O ZINC000104672773 588006464 /nfs/dbraw/zinc/00/64/64/588006464.db2.gz CJUGWCWIAWIHSP-SECBINFHSA-N 1 2 248.348 -0.369 20 0 BBADLO CNC(=O)[C@H]1CCCC[N@@H+]1CCS(C)(=O)=O ZINC000104672773 588006462 /nfs/dbraw/zinc/00/64/62/588006462.db2.gz CJUGWCWIAWIHSP-SECBINFHSA-N 1 2 248.348 -0.369 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1CCN1CCCC1=O ZINC000104690547 176046306 /nfs/dbraw/zinc/04/63/06/176046306.db2.gz VENUMTVCSXASQQ-SECBINFHSA-N 1 2 225.292 -0.571 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1CCN1CCCC1=O ZINC000104690547 176046305 /nfs/dbraw/zinc/04/63/05/176046305.db2.gz VENUMTVCSXASQQ-SECBINFHSA-N 1 2 225.292 -0.571 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1CCN1CCCC1=O ZINC000104690548 177059689 /nfs/dbraw/zinc/05/96/89/177059689.db2.gz VENUMTVCSXASQQ-VIFPVBQESA-N 1 2 225.292 -0.571 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1CCN1CCCC1=O ZINC000104690548 177059688 /nfs/dbraw/zinc/05/96/88/177059688.db2.gz VENUMTVCSXASQQ-VIFPVBQESA-N 1 2 225.292 -0.571 20 0 BBADLO CC(C)NC(=O)CC[N@H+]1CCNC(=O)[C@H]1C ZINC000104690633 385005021 /nfs/dbraw/zinc/00/50/21/385005021.db2.gz SRENTKUQRPQSFE-SECBINFHSA-N 1 2 227.308 -0.279 20 0 BBADLO CC(C)NC(=O)CC[N@@H+]1CCNC(=O)[C@H]1C ZINC000104690633 385005016 /nfs/dbraw/zinc/00/50/16/385005016.db2.gz SRENTKUQRPQSFE-SECBINFHSA-N 1 2 227.308 -0.279 20 0 BBADLO CC(C)NC(=O)CC[N@H+]1CCNC(=O)[C@@H]1C ZINC000104690639 385005949 /nfs/dbraw/zinc/00/59/49/385005949.db2.gz SRENTKUQRPQSFE-VIFPVBQESA-N 1 2 227.308 -0.279 20 0 BBADLO CC(C)NC(=O)CC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000104690639 385005944 /nfs/dbraw/zinc/00/59/44/385005944.db2.gz SRENTKUQRPQSFE-VIFPVBQESA-N 1 2 227.308 -0.279 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1CCn1cccn1 ZINC000104693336 176046124 /nfs/dbraw/zinc/04/61/24/176046124.db2.gz FSZZUBGXYDYZSY-SECBINFHSA-N 1 2 208.265 -0.297 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1CCn1cccn1 ZINC000104693336 176046123 /nfs/dbraw/zinc/04/61/23/176046123.db2.gz FSZZUBGXYDYZSY-SECBINFHSA-N 1 2 208.265 -0.297 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1CCn1cccn1 ZINC000104693339 177059348 /nfs/dbraw/zinc/05/93/48/177059348.db2.gz FSZZUBGXYDYZSY-VIFPVBQESA-N 1 2 208.265 -0.297 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1CCn1cccn1 ZINC000104693339 177059346 /nfs/dbraw/zinc/05/93/46/177059346.db2.gz FSZZUBGXYDYZSY-VIFPVBQESA-N 1 2 208.265 -0.297 20 0 BBADLO C[C@H]([C@H](C)NS(C)(=O)=O)[NH+]1CCOCC1 ZINC000104758170 384708557 /nfs/dbraw/zinc/70/85/57/384708557.db2.gz JVPLXBGVELLTPN-DTWKUNHWSA-N 1 2 236.337 -0.355 20 0 BBADLO C[C@@H](NS(C)(=O)=O)[C@@H](C)[NH+]1CCOCC1 ZINC000104758173 175910656 /nfs/dbraw/zinc/91/06/56/175910656.db2.gz JVPLXBGVELLTPN-RKDXNWHRSA-N 1 2 236.337 -0.355 20 0 BBADLO C[C@H](NS(C)(=O)=O)[C@H](C)[NH+]1CCOCC1 ZINC000104758176 384708949 /nfs/dbraw/zinc/70/89/49/384708949.db2.gz JVPLXBGVELLTPN-IUCAKERBSA-N 1 2 236.337 -0.355 20 0 BBADLO C[C@@H](NS(C)(=O)=O)[C@H](C)[NH+]1CCOCC1 ZINC000104758177 176011051 /nfs/dbraw/zinc/01/10/51/176011051.db2.gz JVPLXBGVELLTPN-BDAKNGLRSA-N 1 2 236.337 -0.355 20 0 BBADLO CN(C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104766178 173107937 /nfs/dbraw/zinc/10/79/37/173107937.db2.gz LVJWUFZPAHIGDQ-MRVPVSSYSA-N 1 2 201.270 -0.412 20 0 BBADLO CN(C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104766178 173107936 /nfs/dbraw/zinc/10/79/36/173107936.db2.gz LVJWUFZPAHIGDQ-MRVPVSSYSA-N 1 2 201.270 -0.412 20 0 BBADLO CN(C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000104766182 173102811 /nfs/dbraw/zinc/10/28/11/173102811.db2.gz LVJWUFZPAHIGDQ-QMMMGPOBSA-N 1 2 201.270 -0.412 20 0 BBADLO CN(C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000104766182 173102808 /nfs/dbraw/zinc/10/28/08/173102808.db2.gz LVJWUFZPAHIGDQ-QMMMGPOBSA-N 1 2 201.270 -0.412 20 0 BBADLO C[C@H]([C@H](C)NC(=O)NCCO)[NH+]1CCOCC1 ZINC000105015599 386622880 /nfs/dbraw/zinc/62/28/80/386622880.db2.gz UXJZNKAJQYENBY-VHSXEESVSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@@H](NC(=O)NCCO)[C@@H](C)[NH+]1CCOCC1 ZINC000105015602 384854612 /nfs/dbraw/zinc/85/46/12/384854612.db2.gz UXJZNKAJQYENBY-NXEZZACHSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@H](NC(=O)NCCO)[C@H](C)[NH+]1CCOCC1 ZINC000105015605 386623488 /nfs/dbraw/zinc/62/34/88/386623488.db2.gz UXJZNKAJQYENBY-UWVGGRQHSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@@H](NC(=O)NCCO)[C@H](C)[NH+]1CCOCC1 ZINC000105015608 176011172 /nfs/dbraw/zinc/01/11/72/176011172.db2.gz UXJZNKAJQYENBY-ZJUUUORDSA-N 1 2 245.323 -0.613 20 0 BBADLO CCOCCN1CC[NH+]([C@@H](CC)C(N)=O)CC1 ZINC000105831440 170399415 /nfs/dbraw/zinc/39/94/15/170399415.db2.gz IFKYYWCBCMFXSH-NSHDSACASA-N 1 2 243.351 -0.096 20 0 BBADLO CCOCCN1CC[NH+]([C@H](CC)C(N)=O)CC1 ZINC000105831442 170399408 /nfs/dbraw/zinc/39/94/08/170399408.db2.gz IFKYYWCBCMFXSH-LLVKDONJSA-N 1 2 243.351 -0.096 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+]1CCN(CCOC)[C@H](C)C1 ZINC000105834311 386620840 /nfs/dbraw/zinc/62/08/40/386620840.db2.gz BRVJSRGUGWEBGP-MNOVXSKESA-N 1 2 243.351 -0.097 20 0 BBADLO CC[C@@H](C(N)=O)[N@@H+]1CCN(CCOC)[C@H](C)C1 ZINC000105834311 386620835 /nfs/dbraw/zinc/62/08/35/386620835.db2.gz BRVJSRGUGWEBGP-MNOVXSKESA-N 1 2 243.351 -0.097 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1CCN(CCOC)[C@H](C)C1 ZINC000105834313 171244493 /nfs/dbraw/zinc/24/44/93/171244493.db2.gz BRVJSRGUGWEBGP-GHMZBOCLSA-N 1 2 243.351 -0.097 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1CCN(CCOC)[C@H](C)C1 ZINC000105834313 171244490 /nfs/dbraw/zinc/24/44/90/171244490.db2.gz BRVJSRGUGWEBGP-GHMZBOCLSA-N 1 2 243.351 -0.097 20 0 BBADLO C[C@@H](C(N)=O)[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000105888203 384887917 /nfs/dbraw/zinc/88/79/17/384887917.db2.gz DKVCSMURIVGFKP-UWVGGRQHSA-N 1 2 238.291 -0.542 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000105888203 384887907 /nfs/dbraw/zinc/88/79/07/384887907.db2.gz DKVCSMURIVGFKP-UWVGGRQHSA-N 1 2 238.291 -0.542 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000105888205 384886338 /nfs/dbraw/zinc/88/63/38/384886338.db2.gz DKVCSMURIVGFKP-ZJUUUORDSA-N 1 2 238.291 -0.542 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000105888205 384886331 /nfs/dbraw/zinc/88/63/31/384886331.db2.gz DKVCSMURIVGFKP-ZJUUUORDSA-N 1 2 238.291 -0.542 20 0 BBADLO CCNC(=O)N1CC[NH+](CCC(=O)OC)CC1 ZINC000105895392 170074122 /nfs/dbraw/zinc/07/41/22/170074122.db2.gz FBLAHFKZMVORDS-UHFFFAOYSA-N 1 2 243.307 -0.103 20 0 BBADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000105917915 385059796 /nfs/dbraw/zinc/05/97/96/385059796.db2.gz OSBFMIVQZCXHGB-JGVFFNPUSA-N 1 2 224.264 -0.256 20 0 BBADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000105917918 385060016 /nfs/dbraw/zinc/06/00/16/385060016.db2.gz OSBFMIVQZCXHGB-HTQZYQBOSA-N 1 2 224.264 -0.256 20 0 BBADLO COC(=O)[C@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000105917920 385057924 /nfs/dbraw/zinc/05/79/24/385057924.db2.gz OSBFMIVQZCXHGB-YUMQZZPRSA-N 1 2 224.264 -0.256 20 0 BBADLO COC(=O)[C@@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000105917922 385057355 /nfs/dbraw/zinc/05/73/55/385057355.db2.gz OSBFMIVQZCXHGB-SFYZADRCSA-N 1 2 224.264 -0.256 20 0 BBADLO COCC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(N)=O ZINC000106312573 174301237 /nfs/dbraw/zinc/30/12/37/174301237.db2.gz BNFKLSCNIYVQBJ-VIFPVBQESA-N 1 2 240.307 -0.258 20 0 BBADLO COCC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(N)=O ZINC000106312573 174301236 /nfs/dbraw/zinc/30/12/36/174301236.db2.gz BNFKLSCNIYVQBJ-VIFPVBQESA-N 1 2 240.307 -0.258 20 0 BBADLO COCC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(N)=O ZINC000106312576 174301407 /nfs/dbraw/zinc/30/14/07/174301407.db2.gz BNFKLSCNIYVQBJ-SECBINFHSA-N 1 2 240.307 -0.258 20 0 BBADLO COCC[N@H+](Cc1cnn(C)c1)[C@H](C)C(N)=O ZINC000106312576 174301406 /nfs/dbraw/zinc/30/14/06/174301406.db2.gz BNFKLSCNIYVQBJ-SECBINFHSA-N 1 2 240.307 -0.258 20 0 BBADLO COCC[N@@H+](CC(=O)NC(C)C)[C@@H](C)C(N)=O ZINC000106314059 174285514 /nfs/dbraw/zinc/28/55/14/174285514.db2.gz UFGMFEZNCUQGGS-VIFPVBQESA-N 1 2 245.323 -0.667 20 0 BBADLO COCC[N@H+](CC(=O)NC(C)C)[C@@H](C)C(N)=O ZINC000106314059 174285512 /nfs/dbraw/zinc/28/55/12/174285512.db2.gz UFGMFEZNCUQGGS-VIFPVBQESA-N 1 2 245.323 -0.667 20 0 BBADLO COCC[N@@H+](CC(=O)NC(C)C)[C@H](C)C(N)=O ZINC000106314062 174285227 /nfs/dbraw/zinc/28/52/27/174285227.db2.gz UFGMFEZNCUQGGS-SECBINFHSA-N 1 2 245.323 -0.667 20 0 BBADLO COCC[N@H+](CC(=O)NC(C)C)[C@H](C)C(N)=O ZINC000106314062 174285225 /nfs/dbraw/zinc/28/52/25/174285225.db2.gz UFGMFEZNCUQGGS-SECBINFHSA-N 1 2 245.323 -0.667 20 0 BBADLO COCC[N@@H+](CC(=O)NC1CC1)[C@@H](C)C(N)=O ZINC000106314401 174284656 /nfs/dbraw/zinc/28/46/56/174284656.db2.gz ZRGKHJUXPKDXQL-QMMMGPOBSA-N 1 2 243.307 -0.913 20 0 BBADLO COCC[N@H+](CC(=O)NC1CC1)[C@@H](C)C(N)=O ZINC000106314401 174284655 /nfs/dbraw/zinc/28/46/55/174284655.db2.gz ZRGKHJUXPKDXQL-QMMMGPOBSA-N 1 2 243.307 -0.913 20 0 BBADLO COCC[N@@H+](CC(=O)NC1CC1)[C@H](C)C(N)=O ZINC000106314404 174285259 /nfs/dbraw/zinc/28/52/59/174285259.db2.gz ZRGKHJUXPKDXQL-MRVPVSSYSA-N 1 2 243.307 -0.913 20 0 BBADLO COCC[N@H+](CC(=O)NC1CC1)[C@H](C)C(N)=O ZINC000106314404 174285257 /nfs/dbraw/zinc/28/52/57/174285257.db2.gz ZRGKHJUXPKDXQL-MRVPVSSYSA-N 1 2 243.307 -0.913 20 0 BBADLO CCCNC(=O)C[N@@H+](CCOC)[C@@H](C)C(N)=O ZINC000106314420 169221291 /nfs/dbraw/zinc/22/12/91/169221291.db2.gz FOELFYNDAUPGGB-VIFPVBQESA-N 1 2 245.323 -0.665 20 0 BBADLO CCCNC(=O)C[N@H+](CCOC)[C@@H](C)C(N)=O ZINC000106314420 169221289 /nfs/dbraw/zinc/22/12/89/169221289.db2.gz FOELFYNDAUPGGB-VIFPVBQESA-N 1 2 245.323 -0.665 20 0 BBADLO CCCNC(=O)C[N@@H+](CCOC)[C@H](C)C(N)=O ZINC000106314425 169221140 /nfs/dbraw/zinc/22/11/40/169221140.db2.gz FOELFYNDAUPGGB-SECBINFHSA-N 1 2 245.323 -0.665 20 0 BBADLO CCCNC(=O)C[N@H+](CCOC)[C@H](C)C(N)=O ZINC000106314425 169221138 /nfs/dbraw/zinc/22/11/38/169221138.db2.gz FOELFYNDAUPGGB-SECBINFHSA-N 1 2 245.323 -0.665 20 0 BBADLO COC(=O)C1CC[NH+]([C@@H]2CC(=O)NC2=O)CC1 ZINC000106374658 350947769 /nfs/dbraw/zinc/94/77/69/350947769.db2.gz LRTMSYMUTBUZMK-MRVPVSSYSA-N 1 2 240.259 -0.714 20 0 BBADLO CC[C@H](O)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)OC ZINC000106381197 385506004 /nfs/dbraw/zinc/50/60/04/385506004.db2.gz CJMYXVQHZBVRJC-IUCAKERBSA-N 1 2 244.291 -0.879 20 0 BBADLO CC[C@H](O)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)OC ZINC000106381197 385506002 /nfs/dbraw/zinc/50/60/02/385506002.db2.gz CJMYXVQHZBVRJC-IUCAKERBSA-N 1 2 244.291 -0.879 20 0 BBADLO C[NH+]1CCN(S(=O)(=O)C[C@@H]2CCOC2)CC1 ZINC000106447409 173091687 /nfs/dbraw/zinc/09/16/87/173091687.db2.gz JAHZGGAPMRGXET-SNVBAGLBSA-N 1 2 248.348 -0.400 20 0 BBADLO C[NH+]1CCN(S(=O)(=O)C[C@H]2CCOC2)CC1 ZINC000106447412 173092414 /nfs/dbraw/zinc/09/24/14/173092414.db2.gz JAHZGGAPMRGXET-JTQLQIEISA-N 1 2 248.348 -0.400 20 0 BBADLO CC[NH+]1CCN(c2nc3[nH]ncc3c(=O)[nH]2)CC1 ZINC000106461779 384918261 /nfs/dbraw/zinc/91/82/61/384918261.db2.gz JGBFEIIRFDHEPX-UHFFFAOYSA-N 1 2 248.290 -0.212 20 0 BBADLO CO[C@H](C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106815293 385533074 /nfs/dbraw/zinc/53/30/74/385533074.db2.gz OHIKEGZAGVRMRL-WDEREUQCSA-N 1 2 243.351 -0.227 20 0 BBADLO CO[C@H](C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000106815295 385533080 /nfs/dbraw/zinc/53/30/80/385533080.db2.gz OHIKEGZAGVRMRL-GHMZBOCLSA-N 1 2 243.351 -0.227 20 0 BBADLO CO[C@@H](C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106815296 385532972 /nfs/dbraw/zinc/53/29/72/385532972.db2.gz OHIKEGZAGVRMRL-QWRGUYRKSA-N 1 2 243.351 -0.227 20 0 BBADLO CO[C@@H](C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000106815299 385532662 /nfs/dbraw/zinc/53/26/62/385532662.db2.gz OHIKEGZAGVRMRL-MNOVXSKESA-N 1 2 243.351 -0.227 20 0 BBADLO COCC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106821062 174052571 /nfs/dbraw/zinc/05/25/71/174052571.db2.gz UKBRMNZKLXUFBE-JTQLQIEISA-N 1 2 229.324 -0.615 20 0 BBADLO COCC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000106821063 174055462 /nfs/dbraw/zinc/05/54/62/174055462.db2.gz UKBRMNZKLXUFBE-SNVBAGLBSA-N 1 2 229.324 -0.615 20 0 BBADLO CCOCC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106821119 170345201 /nfs/dbraw/zinc/34/52/01/170345201.db2.gz AFGFSROEYDLAFJ-NSHDSACASA-N 1 2 243.351 -0.225 20 0 BBADLO CCOCC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000106821123 170346627 /nfs/dbraw/zinc/34/66/27/170346627.db2.gz AFGFSROEYDLAFJ-LLVKDONJSA-N 1 2 243.351 -0.225 20 0 BBADLO C[N@@H+](CCS(C)(=O)=O)[C@@H]1CCOC1 ZINC000106885765 588314483 /nfs/dbraw/zinc/31/44/83/588314483.db2.gz GRUVNTRSJJTLAE-MRVPVSSYSA-N 1 2 207.295 -0.248 20 0 BBADLO C[N@H+](CCS(C)(=O)=O)[C@@H]1CCOC1 ZINC000106885765 588314482 /nfs/dbraw/zinc/31/44/82/588314482.db2.gz GRUVNTRSJJTLAE-MRVPVSSYSA-N 1 2 207.295 -0.248 20 0 BBADLO C[N@@H+](CCS(C)(=O)=O)[C@H]1CCOC1 ZINC000106885767 588314145 /nfs/dbraw/zinc/31/41/45/588314145.db2.gz GRUVNTRSJJTLAE-QMMMGPOBSA-N 1 2 207.295 -0.248 20 0 BBADLO C[N@H+](CCS(C)(=O)=O)[C@H]1CCOC1 ZINC000106885767 588314143 /nfs/dbraw/zinc/31/41/43/588314143.db2.gz GRUVNTRSJJTLAE-QMMMGPOBSA-N 1 2 207.295 -0.248 20 0 BBADLO CC(C)COC[C@@H](O)C[N@H+]1CCNC(=O)[C@H]1C ZINC000106933947 386655263 /nfs/dbraw/zinc/65/52/63/386655263.db2.gz XONXEMFLAZLVMV-MNOVXSKESA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)COC[C@@H](O)C[N@@H+]1CCNC(=O)[C@H]1C ZINC000106933947 386655254 /nfs/dbraw/zinc/65/52/54/386655254.db2.gz XONXEMFLAZLVMV-MNOVXSKESA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)COC[C@@H](O)C[N@H+]1CCNC(=O)[C@@H]1C ZINC000106933948 191068756 /nfs/dbraw/zinc/06/87/56/191068756.db2.gz XONXEMFLAZLVMV-QWRGUYRKSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)COC[C@@H](O)C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000106933948 191068753 /nfs/dbraw/zinc/06/87/53/191068753.db2.gz XONXEMFLAZLVMV-QWRGUYRKSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(=O)NCCC[N@H+]1CCNC(=O)[C@H]1C ZINC000106934038 188345317 /nfs/dbraw/zinc/34/53/17/188345317.db2.gz QEUSLJAAPVBQCU-MRVPVSSYSA-N 1 2 213.281 -0.667 20 0 BBADLO CC(=O)NCCC[N@@H+]1CCNC(=O)[C@H]1C ZINC000106934038 188345315 /nfs/dbraw/zinc/34/53/15/188345315.db2.gz QEUSLJAAPVBQCU-MRVPVSSYSA-N 1 2 213.281 -0.667 20 0 BBADLO CC(=O)NCCC[N@H+]1CCNC(=O)[C@@H]1C ZINC000106934039 188344471 /nfs/dbraw/zinc/34/44/71/188344471.db2.gz QEUSLJAAPVBQCU-QMMMGPOBSA-N 1 2 213.281 -0.667 20 0 BBADLO CC(=O)NCCC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000106934039 188344470 /nfs/dbraw/zinc/34/44/70/188344470.db2.gz QEUSLJAAPVBQCU-QMMMGPOBSA-N 1 2 213.281 -0.667 20 0 BBADLO CC(C)OC[C@@H](O)C[N@H+]1CCNC(=O)[C@H]1C ZINC000106934279 167262288 /nfs/dbraw/zinc/26/22/88/167262288.db2.gz MZOWZWSQVOKPMU-ZJUUUORDSA-N 1 2 230.308 -0.407 20 0 BBADLO CC(C)OC[C@@H](O)C[N@@H+]1CCNC(=O)[C@H]1C ZINC000106934279 167262286 /nfs/dbraw/zinc/26/22/86/167262286.db2.gz MZOWZWSQVOKPMU-ZJUUUORDSA-N 1 2 230.308 -0.407 20 0 BBADLO CC(C)OC[C@@H](O)C[N@H+]1CCNC(=O)[C@@H]1C ZINC000106934280 167262367 /nfs/dbraw/zinc/26/23/67/167262367.db2.gz MZOWZWSQVOKPMU-UWVGGRQHSA-N 1 2 230.308 -0.407 20 0 BBADLO CC(C)OC[C@@H](O)C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000106934280 167262364 /nfs/dbraw/zinc/26/23/64/167262364.db2.gz MZOWZWSQVOKPMU-UWVGGRQHSA-N 1 2 230.308 -0.407 20 0 BBADLO Cn1cc(C[N@@H+](C)CCNS(C)(=O)=O)cn1 ZINC000107297790 384962455 /nfs/dbraw/zinc/96/24/55/384962455.db2.gz LSHCCCPOHRCLQT-UHFFFAOYSA-N 1 2 246.336 -0.599 20 0 BBADLO Cn1cc(C[N@H+](C)CCNS(C)(=O)=O)cn1 ZINC000107297790 384962447 /nfs/dbraw/zinc/96/24/47/384962447.db2.gz LSHCCCPOHRCLQT-UHFFFAOYSA-N 1 2 246.336 -0.599 20 0 BBADLO C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)[C@H](C)CO1 ZINC000107298582 385189309 /nfs/dbraw/zinc/18/93/09/385189309.db2.gz CXZFGOMQGNMVOJ-RKDXNWHRSA-N 1 2 236.337 -0.355 20 0 BBADLO C[C@@H]1C[N@H+](CCNS(C)(=O)=O)[C@H](C)CO1 ZINC000107298582 385189304 /nfs/dbraw/zinc/18/93/04/385189304.db2.gz CXZFGOMQGNMVOJ-RKDXNWHRSA-N 1 2 236.337 -0.355 20 0 BBADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNS(C)(=O)=O ZINC000107298583 385189046 /nfs/dbraw/zinc/18/90/46/385189046.db2.gz CXZFGOMQGNMVOJ-BDAKNGLRSA-N 1 2 236.337 -0.355 20 0 BBADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNS(C)(=O)=O ZINC000107298583 385189042 /nfs/dbraw/zinc/18/90/42/385189042.db2.gz CXZFGOMQGNMVOJ-BDAKNGLRSA-N 1 2 236.337 -0.355 20 0 BBADLO CC1(C)C[N@@H+](CCNS(C)(=O)=O)CCO1 ZINC000107298791 385189143 /nfs/dbraw/zinc/18/91/43/385189143.db2.gz CECGGVCIUQIUIJ-UHFFFAOYSA-N 1 2 236.337 -0.354 20 0 BBADLO CC1(C)C[N@H+](CCNS(C)(=O)=O)CCO1 ZINC000107298791 385189138 /nfs/dbraw/zinc/18/91/38/385189138.db2.gz CECGGVCIUQIUIJ-UHFFFAOYSA-N 1 2 236.337 -0.354 20 0 BBADLO CS(=O)(=O)NCC[NH+]1CCSCC1 ZINC000107298994 385563073 /nfs/dbraw/zinc/56/30/73/385563073.db2.gz XYCOFEHSRKBDLR-UHFFFAOYSA-N 1 2 224.351 -0.416 20 0 BBADLO COC(=O)[C@@H]1CC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000107847798 631766993 /nfs/dbraw/zinc/76/69/93/631766993.db2.gz GYNFFGNLDPYRBP-HTQZYQBOSA-N 1 2 213.233 -0.203 20 0 BBADLO COC(=O)[C@@H]1CC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000107847798 631766989 /nfs/dbraw/zinc/76/69/89/631766989.db2.gz GYNFFGNLDPYRBP-HTQZYQBOSA-N 1 2 213.233 -0.203 20 0 BBADLO COC(=O)[C@H]1CC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000107847803 635487908 /nfs/dbraw/zinc/48/79/08/635487908.db2.gz GYNFFGNLDPYRBP-JGVFFNPUSA-N 1 2 213.233 -0.203 20 0 BBADLO COC(=O)[C@H]1CC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000107847803 635487900 /nfs/dbraw/zinc/48/79/00/635487900.db2.gz GYNFFGNLDPYRBP-JGVFFNPUSA-N 1 2 213.233 -0.203 20 0 BBADLO COC(=O)Cc1c(C)[nH]n(CC[NH+](C)C)c1=O ZINC000107855326 369362744 /nfs/dbraw/zinc/36/27/44/369362744.db2.gz YJQUGEMLCDQLSP-SECBINFHSA-N 1 2 241.291 -0.055 20 0 BBADLO COC(=O)C[N@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000108148199 385021667 /nfs/dbraw/zinc/02/16/67/385021667.db2.gz WSBGHNXQNSOPTR-SECBINFHSA-N 1 2 214.265 -0.240 20 0 BBADLO COC(=O)C[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000108148199 385021659 /nfs/dbraw/zinc/02/16/59/385021659.db2.gz WSBGHNXQNSOPTR-SECBINFHSA-N 1 2 214.265 -0.240 20 0 BBADLO COC(=O)C[N@H+]1CCC[C@H](NC(C)=O)C1 ZINC000108148202 385223557 /nfs/dbraw/zinc/22/35/57/385223557.db2.gz WSBGHNXQNSOPTR-VIFPVBQESA-N 1 2 214.265 -0.240 20 0 BBADLO COC(=O)C[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000108148202 385223553 /nfs/dbraw/zinc/22/35/53/385223553.db2.gz WSBGHNXQNSOPTR-VIFPVBQESA-N 1 2 214.265 -0.240 20 0 BBADLO O=C(NCCC[NH+]1CCOCC1)c1cnn[nH]1 ZINC000108285726 182169017 /nfs/dbraw/zinc/16/90/17/182169017.db2.gz QMCLUBYTGRLBHO-UHFFFAOYSA-N 1 2 239.279 -0.743 20 0 BBADLO O=C(NCCC[NH+]1CCOCC1)c1cn[nH]n1 ZINC000108285726 182169016 /nfs/dbraw/zinc/16/90/16/182169016.db2.gz QMCLUBYTGRLBHO-UHFFFAOYSA-N 1 2 239.279 -0.743 20 0 BBADLO CC(C)N1CC[N@H+](C[C@@H](C)O)CC1=O ZINC000108349101 385638212 /nfs/dbraw/zinc/63/82/12/385638212.db2.gz SATGRIXSQHZLEL-SECBINFHSA-N 1 2 200.282 -0.080 20 0 BBADLO CC(C)N1CC[N@@H+](C[C@@H](C)O)CC1=O ZINC000108349101 385638210 /nfs/dbraw/zinc/63/82/10/385638210.db2.gz SATGRIXSQHZLEL-SECBINFHSA-N 1 2 200.282 -0.080 20 0 BBADLO CC(C)N1CC[N@H+](C[C@H](C)O)CC1=O ZINC000108349103 385638383 /nfs/dbraw/zinc/63/83/83/385638383.db2.gz SATGRIXSQHZLEL-VIFPVBQESA-N 1 2 200.282 -0.080 20 0 BBADLO CC(C)N1CC[N@@H+](C[C@H](C)O)CC1=O ZINC000108349103 385638379 /nfs/dbraw/zinc/63/83/79/385638379.db2.gz SATGRIXSQHZLEL-VIFPVBQESA-N 1 2 200.282 -0.080 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cn[nH]n1 ZINC000108454635 387041332 /nfs/dbraw/zinc/04/13/32/387041332.db2.gz HGPUTFIVLVCKFU-QMMMGPOBSA-N 1 2 239.279 -0.745 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cn[nH]n1 ZINC000108454639 387041007 /nfs/dbraw/zinc/04/10/07/387041007.db2.gz HGPUTFIVLVCKFU-MRVPVSSYSA-N 1 2 239.279 -0.745 20 0 BBADLO CC(C)(O)CNC(=O)NCCn1cc[nH+]c1 ZINC000108535399 191069156 /nfs/dbraw/zinc/06/91/56/191069156.db2.gz GLEAIGOVTOVTGV-UHFFFAOYSA-N 1 2 226.280 -0.047 20 0 BBADLO C[NH+]1CCN(Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000108850151 173087493 /nfs/dbraw/zinc/08/74/93/173087493.db2.gz QJXRFNWTEJFTKX-UHFFFAOYSA-N 1 2 247.302 -0.230 20 0 BBADLO O=c1cc(C[N@H+](CCO)C2CC2)nc2cc[nH]n21 ZINC000108854172 384755921 /nfs/dbraw/zinc/75/59/21/384755921.db2.gz MKXAIKQQIWUNCG-UHFFFAOYSA-N 1 2 248.286 -0.021 20 0 BBADLO O=c1cc(C[N@@H+](CCO)C2CC2)nc2cc[nH]n21 ZINC000108854172 384755913 /nfs/dbraw/zinc/75/59/13/384755913.db2.gz MKXAIKQQIWUNCG-UHFFFAOYSA-N 1 2 248.286 -0.021 20 0 BBADLO CNC(=O)CC[NH2+]C(C)(C)C(=O)OC ZINC000108855662 173258136 /nfs/dbraw/zinc/25/81/36/173258136.db2.gz QNGLFDORMPIFSW-UHFFFAOYSA-N 1 2 202.254 -0.336 20 0 BBADLO O=c1cc(C[N@@H+]2CCC[C@@H]2CO)nc2cc[nH]n21 ZINC000108857062 384755871 /nfs/dbraw/zinc/75/58/71/384755871.db2.gz WXGLWVHOANYUEW-SNVBAGLBSA-N 1 2 248.286 -0.021 20 0 BBADLO O=c1cc(C[N@H+]2CCC[C@@H]2CO)nc2cc[nH]n21 ZINC000108857062 384755867 /nfs/dbraw/zinc/75/58/67/384755867.db2.gz WXGLWVHOANYUEW-SNVBAGLBSA-N 1 2 248.286 -0.021 20 0 BBADLO CCNC(=O)C[N@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000108918973 385244766 /nfs/dbraw/zinc/24/47/66/385244766.db2.gz YEEIUWCCIVQCAP-JTQLQIEISA-N 1 2 227.308 -0.421 20 0 BBADLO CCNC(=O)C[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000108918973 385244762 /nfs/dbraw/zinc/24/47/62/385244762.db2.gz YEEIUWCCIVQCAP-JTQLQIEISA-N 1 2 227.308 -0.421 20 0 BBADLO CCNC(=O)C[N@H+]1CCNC(=O)[C@H]1C(C)C ZINC000108918976 385245104 /nfs/dbraw/zinc/24/51/04/385245104.db2.gz YEEIUWCCIVQCAP-SNVBAGLBSA-N 1 2 227.308 -0.421 20 0 BBADLO CCNC(=O)C[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000108918976 385245099 /nfs/dbraw/zinc/24/50/99/385245099.db2.gz YEEIUWCCIVQCAP-SNVBAGLBSA-N 1 2 227.308 -0.421 20 0 BBADLO CNC(=O)NC(=O)C[N@H+]1CCOCC1(C)C ZINC000108975527 173287303 /nfs/dbraw/zinc/28/73/03/173287303.db2.gz DMARVSMYYLEDDI-UHFFFAOYSA-N 1 2 229.280 -0.447 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+]1CCOCC1(C)C ZINC000108975527 173287302 /nfs/dbraw/zinc/28/73/02/173287302.db2.gz DMARVSMYYLEDDI-UHFFFAOYSA-N 1 2 229.280 -0.447 20 0 BBADLO CNC(=O)N1CC[NH+](CCC(=O)OC)CC1 ZINC000109219351 173285040 /nfs/dbraw/zinc/28/50/40/173285040.db2.gz AGEMTZYZGLFWEE-UHFFFAOYSA-N 1 2 229.280 -0.494 20 0 BBADLO Cn1ccnc1C[NH2+][C@@H]1CC(=O)N(C)C1=O ZINC000109235486 368621316 /nfs/dbraw/zinc/62/13/16/368621316.db2.gz SSJBJMHIYFRJOI-SSDOTTSWSA-N 1 2 222.248 -0.733 20 0 BBADLO Cn1ccnc1C[NH2+][C@@H]1CC(=O)N(C2CC2)C1=O ZINC000109381131 368626644 /nfs/dbraw/zinc/62/66/44/368626644.db2.gz FPVYBTVXKSTWEU-SECBINFHSA-N 1 2 248.286 -0.200 20 0 BBADLO CCNC(=O)N1CC[NH+]([C@@H](CC)C(N)=O)CC1 ZINC000109746633 170074675 /nfs/dbraw/zinc/07/46/75/170074675.db2.gz TTXKWJRDZQEHTO-VIFPVBQESA-N 1 2 242.323 -0.403 20 0 BBADLO CCNC(=O)N1CC[NH+]([C@H](CC)C(N)=O)CC1 ZINC000109746636 170073904 /nfs/dbraw/zinc/07/39/04/170073904.db2.gz TTXKWJRDZQEHTO-SECBINFHSA-N 1 2 242.323 -0.403 20 0 BBADLO NC(=O)C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000109756407 385331281 /nfs/dbraw/zinc/33/12/81/385331281.db2.gz IZDPDVJALVHOOX-VDTYLAMSSA-N 1 2 226.198 -0.141 20 0 BBADLO NC(=O)C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000109756407 385331278 /nfs/dbraw/zinc/33/12/78/385331278.db2.gz IZDPDVJALVHOOX-VDTYLAMSSA-N 1 2 226.198 -0.141 20 0 BBADLO NC(=O)C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000109756411 385332213 /nfs/dbraw/zinc/33/22/13/385332213.db2.gz IZDPDVJALVHOOX-FSPLSTOPSA-N 1 2 226.198 -0.141 20 0 BBADLO NC(=O)C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000109756411 385332206 /nfs/dbraw/zinc/33/22/06/385332206.db2.gz IZDPDVJALVHOOX-FSPLSTOPSA-N 1 2 226.198 -0.141 20 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C[C@H]1C(=O)NCCN1C(=O)CCn1cc[nH+]c1 ZINC000110516798 177058766 /nfs/dbraw/zinc/05/87/66/177058766.db2.gz NXKOXUBNTUUWIA-VIFPVBQESA-N 1 2 236.275 -0.380 20 0 BBADLO CNS(=O)(=O)CCCn1cc[nH+]c1 ZINC000111197007 385500031 /nfs/dbraw/zinc/50/00/31/385500031.db2.gz SWKIBJCYVUPYPA-UHFFFAOYSA-N 1 2 203.267 -0.178 20 0 BBADLO CCOC(=O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC000111197029 170213044 /nfs/dbraw/zinc/21/30/44/170213044.db2.gz AREADWJEPFDNRE-UHFFFAOYSA-N 1 2 225.248 -0.095 20 0 BBADLO COC(=O)[C@@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000111219271 384579901 /nfs/dbraw/zinc/57/99/01/384579901.db2.gz CCIZILASFPSMNE-QMMMGPOBSA-N 1 2 225.248 -0.217 20 0 BBADLO COC(=O)[C@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000111219273 384580323 /nfs/dbraw/zinc/58/03/23/384580323.db2.gz CCIZILASFPSMNE-MRVPVSSYSA-N 1 2 225.248 -0.217 20 0 BBADLO COC(=O)CNC(=O)CC[N@@H+](C)CC(F)F ZINC000111221675 385497165 /nfs/dbraw/zinc/49/71/65/385497165.db2.gz ZSHSGBTTWGYXJN-UHFFFAOYSA-N 1 2 238.234 -0.137 20 0 BBADLO COC(=O)CNC(=O)CC[N@H+](C)CC(F)F ZINC000111221675 385497162 /nfs/dbraw/zinc/49/71/62/385497162.db2.gz ZSHSGBTTWGYXJN-UHFFFAOYSA-N 1 2 238.234 -0.137 20 0 BBADLO CCNC(=O)CC[NH+]1CCS(=O)CC1 ZINC000111224360 170052434 /nfs/dbraw/zinc/05/24/34/170052434.db2.gz ROBSJXVPZBAAGR-UHFFFAOYSA-N 1 2 218.322 -0.423 20 0 BBADLO O=S1CC[NH+](CCn2cccn2)CC1 ZINC000111224598 182917163 /nfs/dbraw/zinc/91/71/63/182917163.db2.gz QAIFCACGVLFKMG-UHFFFAOYSA-N 1 2 213.306 -0.053 20 0 BBADLO CN(CC(=O)N1CCOCC1)Cc1[nH]cc[nH+]1 ZINC000111242624 383842108 /nfs/dbraw/zinc/84/21/08/383842108.db2.gz OSSHHLQETYINRF-UHFFFAOYSA-N 1 2 238.291 -0.300 20 0 BBADLO Cn1ccnc1C[N@@H+](CCO)CCCO ZINC000111245291 384595261 /nfs/dbraw/zinc/59/52/61/384595261.db2.gz JVNQEMUWMUZASO-UHFFFAOYSA-N 1 2 213.281 -0.403 20 0 BBADLO Cn1ccnc1C[N@H+](CCO)CCCO ZINC000111245291 384595255 /nfs/dbraw/zinc/59/52/55/384595255.db2.gz JVNQEMUWMUZASO-UHFFFAOYSA-N 1 2 213.281 -0.403 20 0 BBADLO CC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC)C[C@H](C)O1 ZINC000111274099 384601116 /nfs/dbraw/zinc/60/11/16/384601116.db2.gz BYOYFFRIATXTKC-DTWKUNHWSA-N 1 2 243.307 -0.059 20 0 BBADLO CC[C@@H]1C[N@H+](CC(=O)NC(=O)NC)C[C@H](C)O1 ZINC000111274099 384601109 /nfs/dbraw/zinc/60/11/09/384601109.db2.gz BYOYFFRIATXTKC-DTWKUNHWSA-N 1 2 243.307 -0.059 20 0 BBADLO CC[C@H]1C[N@@H+](CC(=O)NC(=O)NC)C[C@H](C)O1 ZINC000111274100 384600307 /nfs/dbraw/zinc/60/03/07/384600307.db2.gz BYOYFFRIATXTKC-IUCAKERBSA-N 1 2 243.307 -0.059 20 0 BBADLO CC[C@H]1C[N@H+](CC(=O)NC(=O)NC)C[C@H](C)O1 ZINC000111274100 384600300 /nfs/dbraw/zinc/60/03/00/384600300.db2.gz BYOYFFRIATXTKC-IUCAKERBSA-N 1 2 243.307 -0.059 20 0 BBADLO CC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H](C)O1 ZINC000111274643 384601982 /nfs/dbraw/zinc/60/19/82/384601982.db2.gz QHPHNUKNLCPPTO-JGVFFNPUSA-N 1 2 229.280 -0.319 20 0 BBADLO CC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H](C)O1 ZINC000111274643 384601977 /nfs/dbraw/zinc/60/19/77/384601977.db2.gz QHPHNUKNLCPPTO-JGVFFNPUSA-N 1 2 229.280 -0.319 20 0 BBADLO CC[C@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H](C)O1 ZINC000111274645 344586214 /nfs/dbraw/zinc/58/62/14/344586214.db2.gz QHPHNUKNLCPPTO-YUMQZZPRSA-N 1 2 229.280 -0.319 20 0 BBADLO CC[C@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H](C)O1 ZINC000111274645 344586213 /nfs/dbraw/zinc/58/62/13/344586213.db2.gz QHPHNUKNLCPPTO-YUMQZZPRSA-N 1 2 229.280 -0.319 20 0 BBADLO C[N@@H+](CCn1cccn1)Cc1nc(N)nc(N)n1 ZINC000111284106 397906579 /nfs/dbraw/zinc/90/65/79/397906579.db2.gz ASMWWAZJTQNKFX-UHFFFAOYSA-N 1 2 248.294 -0.636 20 0 BBADLO C[N@H+](CCn1cccn1)Cc1nc(N)nc(N)n1 ZINC000111284106 397906577 /nfs/dbraw/zinc/90/65/77/397906577.db2.gz ASMWWAZJTQNKFX-UHFFFAOYSA-N 1 2 248.294 -0.636 20 0 BBADLO COCCCS(=O)(=O)NCCn1cc[nH+]c1 ZINC000111325449 174257739 /nfs/dbraw/zinc/25/77/39/174257739.db2.gz XKHMJSUWXBSVJB-UHFFFAOYSA-N 1 2 247.320 -0.161 20 0 BBADLO COC(=O)[C@H]1CC[N@@H+](Cc2nncn2C)C1 ZINC000111364679 368856674 /nfs/dbraw/zinc/85/66/74/368856674.db2.gz GZJXKWDFTIHNEK-QMMMGPOBSA-N 1 2 224.264 -0.190 20 0 BBADLO COC(=O)[C@H]1CC[N@H+](Cc2nncn2C)C1 ZINC000111364679 368856670 /nfs/dbraw/zinc/85/66/70/368856670.db2.gz GZJXKWDFTIHNEK-QMMMGPOBSA-N 1 2 224.264 -0.190 20 0 BBADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nncn2C)C1 ZINC000111364684 368856788 /nfs/dbraw/zinc/85/67/88/368856788.db2.gz GZJXKWDFTIHNEK-MRVPVSSYSA-N 1 2 224.264 -0.190 20 0 BBADLO COC(=O)[C@@H]1CC[N@H+](Cc2nncn2C)C1 ZINC000111364684 368856785 /nfs/dbraw/zinc/85/67/85/368856785.db2.gz GZJXKWDFTIHNEK-MRVPVSSYSA-N 1 2 224.264 -0.190 20 0 BBADLO Cc1cc(NC(=O)CN2CC(=O)NC2=O)cc[nH+]1 ZINC000111546723 178130123 /nfs/dbraw/zinc/13/01/23/178130123.db2.gz YHXZBRHTBCPOCZ-UHFFFAOYSA-N 1 2 248.242 -0.120 20 0 BBADLO COC(=O)[C@H](C)[N@H+]1CCCN(C(N)=O)CC1 ZINC000111688261 536628107 /nfs/dbraw/zinc/62/81/07/536628107.db2.gz OQXDGSVNBFMUID-QMMMGPOBSA-N 1 2 229.280 -0.366 20 0 BBADLO COC(=O)[C@H](C)[N@@H+]1CCCN(C(N)=O)CC1 ZINC000111688261 536628100 /nfs/dbraw/zinc/62/81/00/536628100.db2.gz OQXDGSVNBFMUID-QMMMGPOBSA-N 1 2 229.280 -0.366 20 0 BBADLO COC(=O)[C@@H](C)[N@H+]1CCCN(C(N)=O)CC1 ZINC000111688263 136216002 /nfs/dbraw/zinc/21/60/02/136216002.db2.gz OQXDGSVNBFMUID-MRVPVSSYSA-N 1 2 229.280 -0.366 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+]1CCCN(C(N)=O)CC1 ZINC000111688263 136216001 /nfs/dbraw/zinc/21/60/01/136216001.db2.gz OQXDGSVNBFMUID-MRVPVSSYSA-N 1 2 229.280 -0.366 20 0 BBADLO NS(=O)(=O)N1CC[NH+](C/C=C/Cl)CC1 ZINC000111691407 383876694 /nfs/dbraw/zinc/87/66/94/383876694.db2.gz ICLHQZYJMYPKBO-OWOJBTEDSA-N 1 2 239.728 -0.440 20 0 BBADLO CCOCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000112014452 323164714 /nfs/dbraw/zinc/16/47/14/323164714.db2.gz SZSBTVSCJUQJIZ-UHFFFAOYSA-N 1 2 236.337 -0.400 20 0 BBADLO C[NH+]1CCN(S(=O)(=O)C[C@@H]2CCCO2)CC1 ZINC000112014456 323164724 /nfs/dbraw/zinc/16/47/24/323164724.db2.gz CYEFSNQZSPGFEK-JTQLQIEISA-N 1 2 248.348 -0.257 20 0 BBADLO C[NH+]1CCN(S(=O)(=O)C[C@H]2CCCO2)CC1 ZINC000112014459 323164782 /nfs/dbraw/zinc/16/47/82/323164782.db2.gz CYEFSNQZSPGFEK-SNVBAGLBSA-N 1 2 248.348 -0.257 20 0 BBADLO C[C@@H](CS(C)(=O)=O)N(C)C(=O)C[NH+](C)C ZINC000112206522 385836179 /nfs/dbraw/zinc/83/61/79/385836179.db2.gz NQWZYVBFPYPJRA-QMMMGPOBSA-N 1 2 236.337 -0.561 20 0 BBADLO C[C@H](CS(C)(=O)=O)N(C)C(=O)C[NH+](C)C ZINC000112206523 385835723 /nfs/dbraw/zinc/83/57/23/385835723.db2.gz NQWZYVBFPYPJRA-MRVPVSSYSA-N 1 2 236.337 -0.561 20 0 BBADLO O=C(CCn1cc[nH+]c1)N1CCCNC(=O)C1 ZINC000112207081 588785933 /nfs/dbraw/zinc/78/59/33/588785933.db2.gz MGZKTJYVASDWHA-UHFFFAOYSA-N 1 2 236.275 -0.378 20 0 BBADLO Cn1ccc(C[NH2+]CC(=O)NC2CC2)n1 ZINC000112340390 368871117 /nfs/dbraw/zinc/87/11/17/368871117.db2.gz PZWMQZZPCWJNOZ-UHFFFAOYSA-N 1 2 208.265 -0.212 20 0 BBADLO C[C@H]([NH2+]Cc1ccn(C)n1)C(=O)N(C)C ZINC000112341081 357469070 /nfs/dbraw/zinc/46/90/70/357469070.db2.gz MBRXPVUVFAOTGV-QMMMGPOBSA-N 1 2 210.281 -0.014 20 0 BBADLO CCCC[N@@H+](C)CCNC(=O)c1nc(=O)[nH][nH]1 ZINC000112401120 323169580 /nfs/dbraw/zinc/16/95/80/323169580.db2.gz DJWOBTSHLPXTTJ-UHFFFAOYSA-N 1 2 241.295 -0.440 20 0 BBADLO CCCC[N@H+](C)CCNC(=O)c1nc(=O)[nH][nH]1 ZINC000112401120 323169579 /nfs/dbraw/zinc/16/95/79/323169579.db2.gz DJWOBTSHLPXTTJ-UHFFFAOYSA-N 1 2 241.295 -0.440 20 0 BBADLO CCS(=O)(=O)CC[NH2+]Cc1ccn(C)n1 ZINC000112466612 588799238 /nfs/dbraw/zinc/79/92/38/588799238.db2.gz ACJZWFKMVZVNOE-UHFFFAOYSA-N 1 2 231.321 -0.056 20 0 BBADLO CNC(=O)C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000112551801 582862744 /nfs/dbraw/zinc/86/27/44/582862744.db2.gz JRPRBUKTCMCYIE-SECBINFHSA-N 1 2 228.292 -0.040 20 0 BBADLO CNC(=O)C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000112551801 582862739 /nfs/dbraw/zinc/86/27/39/582862739.db2.gz JRPRBUKTCMCYIE-SECBINFHSA-N 1 2 228.292 -0.040 20 0 BBADLO CNC(=O)C[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000112551802 588802652 /nfs/dbraw/zinc/80/26/52/588802652.db2.gz JRPRBUKTCMCYIE-VIFPVBQESA-N 1 2 228.292 -0.040 20 0 BBADLO CNC(=O)C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000112551802 588802651 /nfs/dbraw/zinc/80/26/51/588802651.db2.gz JRPRBUKTCMCYIE-VIFPVBQESA-N 1 2 228.292 -0.040 20 0 BBADLO CC(C)NC(=O)CC[NH+]1CCS(=O)CC1 ZINC000112599384 167043083 /nfs/dbraw/zinc/04/30/83/167043083.db2.gz VNBHBBFOYMQBEK-UHFFFAOYSA-N 1 2 232.349 -0.035 20 0 BBADLO COC(=O)CC[NH+]1CCN(CCCCO)CC1 ZINC000112633265 588807575 /nfs/dbraw/zinc/80/75/75/588807575.db2.gz SGEMGLCNNZXPMY-UHFFFAOYSA-N 1 2 244.335 -0.060 20 0 BBADLO COCC[N@H+]1CCO[C@H](C(=O)OC)C1 ZINC000112672027 323171416 /nfs/dbraw/zinc/17/14/16/323171416.db2.gz WEZCWKNUTIZQET-QMMMGPOBSA-N 1 2 203.238 -0.493 20 0 BBADLO COCC[N@@H+]1CCO[C@H](C(=O)OC)C1 ZINC000112672027 323171415 /nfs/dbraw/zinc/17/14/15/323171415.db2.gz WEZCWKNUTIZQET-QMMMGPOBSA-N 1 2 203.238 -0.493 20 0 BBADLO COCC[N@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000112672031 323171441 /nfs/dbraw/zinc/17/14/41/323171441.db2.gz WEZCWKNUTIZQET-MRVPVSSYSA-N 1 2 203.238 -0.493 20 0 BBADLO COCC[N@@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000112672031 323171440 /nfs/dbraw/zinc/17/14/40/323171440.db2.gz WEZCWKNUTIZQET-MRVPVSSYSA-N 1 2 203.238 -0.493 20 0 BBADLO COC(=O)CC[N@H+]1CCO[C@H](C(=O)OC)C1 ZINC000112672125 384898584 /nfs/dbraw/zinc/89/85/84/384898584.db2.gz RRHZZAWORRESPL-QMMMGPOBSA-N 1 2 231.248 -0.577 20 0 BBADLO COC(=O)CC[N@@H+]1CCO[C@H](C(=O)OC)C1 ZINC000112672125 384898576 /nfs/dbraw/zinc/89/85/76/384898576.db2.gz RRHZZAWORRESPL-QMMMGPOBSA-N 1 2 231.248 -0.577 20 0 BBADLO COC(=O)CC[N@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000112672128 384899499 /nfs/dbraw/zinc/89/94/99/384899499.db2.gz RRHZZAWORRESPL-MRVPVSSYSA-N 1 2 231.248 -0.577 20 0 BBADLO COC(=O)CC[N@@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000112672128 384899491 /nfs/dbraw/zinc/89/94/91/384899491.db2.gz RRHZZAWORRESPL-MRVPVSSYSA-N 1 2 231.248 -0.577 20 0 BBADLO CC(C)OC(=O)CC[NH+]1CCN(CCO)CC1 ZINC000112691586 167152778 /nfs/dbraw/zinc/15/27/78/167152778.db2.gz QTOJZJAGPKUOED-UHFFFAOYSA-N 1 2 244.335 -0.062 20 0 BBADLO Cn1ncc2c1nc[nH+]c2NCCNC(N)=O ZINC000112830443 370358283 /nfs/dbraw/zinc/35/82/83/370358283.db2.gz VOUYDWRZDXHOLA-UHFFFAOYSA-N 1 2 235.251 -0.557 20 0 BBADLO Cn1ccc(CNC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000112838728 173108026 /nfs/dbraw/zinc/10/80/26/173108026.db2.gz ISAWITLILVYFAC-LLVKDONJSA-N 1 2 224.308 -0.160 20 0 BBADLO Cn1ccc(CNC[C@@H]2C[N@H+](C)CCO2)n1 ZINC000112838728 173108024 /nfs/dbraw/zinc/10/80/24/173108024.db2.gz ISAWITLILVYFAC-LLVKDONJSA-N 1 2 224.308 -0.160 20 0 BBADLO Cn1ccc(CNC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000112838729 173101981 /nfs/dbraw/zinc/10/19/81/173101981.db2.gz ISAWITLILVYFAC-NSHDSACASA-N 1 2 224.308 -0.160 20 0 BBADLO Cn1ccc(CNC[C@H]2C[N@H+](C)CCO2)n1 ZINC000112838729 173101980 /nfs/dbraw/zinc/10/19/80/173101980.db2.gz ISAWITLILVYFAC-NSHDSACASA-N 1 2 224.308 -0.160 20 0 BBADLO COCCOCC(=O)OCC[NH+]1CCOCC1 ZINC000113207189 588827101 /nfs/dbraw/zinc/82/71/01/588827101.db2.gz VVPHHMWTBGGPKB-UHFFFAOYSA-N 1 2 247.291 -0.475 20 0 BBADLO COCC(=O)OCC[NH+]1CCOCC1 ZINC000113209107 592708958 /nfs/dbraw/zinc/70/89/58/592708958.db2.gz ZMWQWPMCAKGOMK-UHFFFAOYSA-N 1 2 203.238 -0.492 20 0 BBADLO COC[C@]1(C)NC(=O)N(C[N@@H+](C)C2CC2)C1=O ZINC000113240033 588827807 /nfs/dbraw/zinc/82/78/07/588827807.db2.gz AVWAEZRRQPKXIJ-NSHDSACASA-N 1 2 241.291 -0.005 20 0 BBADLO COC[C@]1(C)NC(=O)N(C[N@H+](C)C2CC2)C1=O ZINC000113240033 588827806 /nfs/dbraw/zinc/82/78/06/588827806.db2.gz AVWAEZRRQPKXIJ-NSHDSACASA-N 1 2 241.291 -0.005 20 0 BBADLO COC[C@@]1(C)NC(=O)N(C[N@@H+](C)C2CC2)C1=O ZINC000113240034 588827676 /nfs/dbraw/zinc/82/76/76/588827676.db2.gz AVWAEZRRQPKXIJ-LLVKDONJSA-N 1 2 241.291 -0.005 20 0 BBADLO COC[C@@]1(C)NC(=O)N(C[N@H+](C)C2CC2)C1=O ZINC000113240034 588827675 /nfs/dbraw/zinc/82/76/75/588827675.db2.gz AVWAEZRRQPKXIJ-LLVKDONJSA-N 1 2 241.291 -0.005 20 0 BBADLO CN(CCNS(C)(=O)=O)Cc1[nH+]ccn1C ZINC000113266844 387117890 /nfs/dbraw/zinc/11/78/90/387117890.db2.gz MJWCALOKBCNNRB-UHFFFAOYSA-N 1 2 246.336 -0.599 20 0 BBADLO CCS(=O)(=O)C[C@@H](C)NC(=O)C[NH+](C)C ZINC000113445339 354999427 /nfs/dbraw/zinc/99/94/27/354999427.db2.gz OIXSETQFAJYOSY-MRVPVSSYSA-N 1 2 236.337 -0.513 20 0 BBADLO CCS(=O)(=O)C[C@H](C)NC(=O)C[NH+](C)C ZINC000113445342 354999304 /nfs/dbraw/zinc/99/93/04/354999304.db2.gz OIXSETQFAJYOSY-QMMMGPOBSA-N 1 2 236.337 -0.513 20 0 BBADLO Cc1cc(NC(=O)C[N@H+]2CC[C@H](O)C2)n(C)n1 ZINC000113502726 178130299 /nfs/dbraw/zinc/13/02/99/178130299.db2.gz DXACKGPIRQLYLP-VIFPVBQESA-N 1 2 238.291 -0.266 20 0 BBADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@H](O)C2)n(C)n1 ZINC000113502726 178130296 /nfs/dbraw/zinc/13/02/96/178130296.db2.gz DXACKGPIRQLYLP-VIFPVBQESA-N 1 2 238.291 -0.266 20 0 BBADLO CCCS(=O)(=O)CC[N@H+]1CC[C@H](O)C1 ZINC000113502772 583109152 /nfs/dbraw/zinc/10/91/52/583109152.db2.gz JJJUEWYFOKCNPF-VIFPVBQESA-N 1 2 221.322 -0.122 20 0 BBADLO CCCS(=O)(=O)CC[N@@H+]1CC[C@H](O)C1 ZINC000113502772 583109151 /nfs/dbraw/zinc/10/91/51/583109151.db2.gz JJJUEWYFOKCNPF-VIFPVBQESA-N 1 2 221.322 -0.122 20 0 BBADLO CC(C)n1nnnc1C[N@H+]1CC[C@H](O)C1 ZINC000113503676 355241696 /nfs/dbraw/zinc/24/16/96/355241696.db2.gz JVUONHCMOQWUOO-QMMMGPOBSA-N 1 2 211.269 -0.179 20 0 BBADLO CC(C)n1nnnc1C[N@@H+]1CC[C@H](O)C1 ZINC000113503676 355241694 /nfs/dbraw/zinc/24/16/94/355241694.db2.gz JVUONHCMOQWUOO-QMMMGPOBSA-N 1 2 211.269 -0.179 20 0 BBADLO CCNC(=O)C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000113505314 355241732 /nfs/dbraw/zinc/24/17/32/355241732.db2.gz UNMLXWCRQMWINX-SNVBAGLBSA-N 1 2 239.319 -0.135 20 0 BBADLO CCNC(=O)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000113505314 355241729 /nfs/dbraw/zinc/24/17/29/355241729.db2.gz UNMLXWCRQMWINX-SNVBAGLBSA-N 1 2 239.319 -0.135 20 0 BBADLO CCNC(=O)C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000113505317 355242061 /nfs/dbraw/zinc/24/20/61/355242061.db2.gz UNMLXWCRQMWINX-JTQLQIEISA-N 1 2 239.319 -0.135 20 0 BBADLO CCNC(=O)C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000113505317 355242059 /nfs/dbraw/zinc/24/20/59/355242059.db2.gz UNMLXWCRQMWINX-JTQLQIEISA-N 1 2 239.319 -0.135 20 0 BBADLO CNC(=O)C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000113505627 355242447 /nfs/dbraw/zinc/24/24/47/355242447.db2.gz YUSRIXJKRBVUBF-SECBINFHSA-N 1 2 225.292 -0.525 20 0 BBADLO CNC(=O)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000113505627 355242445 /nfs/dbraw/zinc/24/24/45/355242445.db2.gz YUSRIXJKRBVUBF-SECBINFHSA-N 1 2 225.292 -0.525 20 0 BBADLO CNC(=O)C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000113505630 355242530 /nfs/dbraw/zinc/24/25/30/355242530.db2.gz YUSRIXJKRBVUBF-VIFPVBQESA-N 1 2 225.292 -0.525 20 0 BBADLO CNC(=O)C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000113505630 355242526 /nfs/dbraw/zinc/24/25/26/355242526.db2.gz YUSRIXJKRBVUBF-VIFPVBQESA-N 1 2 225.292 -0.525 20 0 BBADLO CC(C)C[C@@H]1COCC[N@H+]1CC(=O)NC(N)=O ZINC000113943183 136216986 /nfs/dbraw/zinc/21/69/86/136216986.db2.gz DQKCSEBNEVWAFR-SECBINFHSA-N 1 2 243.307 -0.072 20 0 BBADLO CC(C)C[C@@H]1COCC[N@@H+]1CC(=O)NC(N)=O ZINC000113943183 136216985 /nfs/dbraw/zinc/21/69/85/136216985.db2.gz DQKCSEBNEVWAFR-SECBINFHSA-N 1 2 243.307 -0.072 20 0 BBADLO CC(C)C[C@H]1COCC[N@H+]1CC(=O)NC(N)=O ZINC000113943185 136217050 /nfs/dbraw/zinc/21/70/50/136217050.db2.gz DQKCSEBNEVWAFR-VIFPVBQESA-N 1 2 243.307 -0.072 20 0 BBADLO CC(C)C[C@H]1COCC[N@@H+]1CC(=O)NC(N)=O ZINC000113943185 136217049 /nfs/dbraw/zinc/21/70/49/136217049.db2.gz DQKCSEBNEVWAFR-VIFPVBQESA-N 1 2 243.307 -0.072 20 0 BBADLO COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000114335314 384032205 /nfs/dbraw/zinc/03/22/05/384032205.db2.gz AQFRNVXAWIVFBM-NKWVEPMBSA-N 1 2 223.232 -0.165 20 0 BBADLO COC(=O)[C@H]1C[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000114335315 384032701 /nfs/dbraw/zinc/03/27/01/384032701.db2.gz AQFRNVXAWIVFBM-BQBZGAKWSA-N 1 2 223.232 -0.165 20 0 BBADLO COC(=O)[C@@H]1C[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000114335316 384031987 /nfs/dbraw/zinc/03/19/87/384031987.db2.gz AQFRNVXAWIVFBM-RNFRBKRXSA-N 1 2 223.232 -0.165 20 0 BBADLO COC(=O)[C@H]1C[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000114335318 384030808 /nfs/dbraw/zinc/03/08/08/384030808.db2.gz AQFRNVXAWIVFBM-RQJHMYQMSA-N 1 2 223.232 -0.165 20 0 BBADLO CN(CC[NH+]1CCOCC1)Cc1nncn1C ZINC000114464546 386776317 /nfs/dbraw/zinc/77/63/17/386776317.db2.gz VVFWXXAAZRAZTL-UHFFFAOYSA-N 1 2 239.323 -0.421 20 0 BBADLO C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@H](O)C1 ZINC000114470302 386769370 /nfs/dbraw/zinc/76/93/70/386769370.db2.gz KLASXSVNIJXMIB-IUCAKERBSA-N 1 2 236.275 -0.130 20 0 BBADLO C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@H](O)C1 ZINC000114470302 386769363 /nfs/dbraw/zinc/76/93/63/386769363.db2.gz KLASXSVNIJXMIB-IUCAKERBSA-N 1 2 236.275 -0.130 20 0 BBADLO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@H](O)C1 ZINC000114470304 386770717 /nfs/dbraw/zinc/77/07/17/386770717.db2.gz KLASXSVNIJXMIB-BDAKNGLRSA-N 1 2 236.275 -0.130 20 0 BBADLO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@H](O)C1 ZINC000114470304 386770714 /nfs/dbraw/zinc/77/07/14/386770714.db2.gz KLASXSVNIJXMIB-BDAKNGLRSA-N 1 2 236.275 -0.130 20 0 BBADLO COCC[N@@H+](CCCCO)CC(=O)OC ZINC000114476300 174290961 /nfs/dbraw/zinc/29/09/61/174290961.db2.gz YVXUNLCNTXJHAH-UHFFFAOYSA-N 1 2 219.281 -0.120 20 0 BBADLO COCC[N@H+](CCCCO)CC(=O)OC ZINC000114476300 174290959 /nfs/dbraw/zinc/29/09/59/174290959.db2.gz YVXUNLCNTXJHAH-UHFFFAOYSA-N 1 2 219.281 -0.120 20 0 BBADLO COCC[N@@H+](CCCO)CC(=O)OC ZINC000114476734 174291048 /nfs/dbraw/zinc/29/10/48/174291048.db2.gz HTWLLMQQKSARCR-UHFFFAOYSA-N 1 2 205.254 -0.510 20 0 BBADLO COCC[N@H+](CCCO)CC(=O)OC ZINC000114476734 174291047 /nfs/dbraw/zinc/29/10/47/174291047.db2.gz HTWLLMQQKSARCR-UHFFFAOYSA-N 1 2 205.254 -0.510 20 0 BBADLO CNC(=O)CC[N@@H+](CCOC)CC(=O)OC ZINC000114476759 173252457 /nfs/dbraw/zinc/25/24/57/173252457.db2.gz YUNLDQIYLKBKEB-UHFFFAOYSA-N 1 2 232.280 -0.756 20 0 BBADLO CNC(=O)CC[N@H+](CCOC)CC(=O)OC ZINC000114476759 173252455 /nfs/dbraw/zinc/25/24/55/173252455.db2.gz YUNLDQIYLKBKEB-UHFFFAOYSA-N 1 2 232.280 -0.756 20 0 BBADLO Cc1cc(NC(=O)C[N@H+]2CC[C@@H](O)C2)n(C)n1 ZINC000114485573 178130025 /nfs/dbraw/zinc/13/00/25/178130025.db2.gz DXACKGPIRQLYLP-SECBINFHSA-N 1 2 238.291 -0.266 20 0 BBADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](O)C2)n(C)n1 ZINC000114485573 178130022 /nfs/dbraw/zinc/13/00/22/178130022.db2.gz DXACKGPIRQLYLP-SECBINFHSA-N 1 2 238.291 -0.266 20 0 BBADLO C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@@H](O)C1 ZINC000114486001 386786290 /nfs/dbraw/zinc/78/62/90/386786290.db2.gz KLASXSVNIJXMIB-DTWKUNHWSA-N 1 2 236.275 -0.130 20 0 BBADLO C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@@H](O)C1 ZINC000114486001 386786287 /nfs/dbraw/zinc/78/62/87/386786287.db2.gz KLASXSVNIJXMIB-DTWKUNHWSA-N 1 2 236.275 -0.130 20 0 BBADLO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@@H](O)C1 ZINC000114486003 176581013 /nfs/dbraw/zinc/58/10/13/176581013.db2.gz KLASXSVNIJXMIB-RKDXNWHRSA-N 1 2 236.275 -0.130 20 0 BBADLO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@@H](O)C1 ZINC000114486003 176581012 /nfs/dbraw/zinc/58/10/12/176581012.db2.gz KLASXSVNIJXMIB-RKDXNWHRSA-N 1 2 236.275 -0.130 20 0 BBADLO CC(C)n1nnnc1C[N@H+]1CC[C@@H](O)C1 ZINC000114486204 386785904 /nfs/dbraw/zinc/78/59/04/386785904.db2.gz JVUONHCMOQWUOO-MRVPVSSYSA-N 1 2 211.269 -0.179 20 0 BBADLO CC(C)n1nnnc1C[N@@H+]1CC[C@@H](O)C1 ZINC000114486204 386785895 /nfs/dbraw/zinc/78/58/95/386785895.db2.gz JVUONHCMOQWUOO-MRVPVSSYSA-N 1 2 211.269 -0.179 20 0 BBADLO CN1C(=O)C[C@H]([NH2+]Cc2ccncn2)C1=O ZINC000114650175 368945936 /nfs/dbraw/zinc/94/59/36/368945936.db2.gz SEAXLGIFFIPJQR-QMMMGPOBSA-N 1 2 220.232 -0.677 20 0 BBADLO Cc1cc(N[C@@H]2CC(=O)N(C)C2=O)nc[nH+]1 ZINC000114650816 178180032 /nfs/dbraw/zinc/18/00/32/178180032.db2.gz SUJPXKSVWPWHSP-SSDOTTSWSA-N 1 2 220.232 -0.046 20 0 BBADLO Cc1nc(N[C@@H]2CC(=O)N(C)C2=O)cc[nH+]1 ZINC000114650832 180202001 /nfs/dbraw/zinc/20/20/01/180202001.db2.gz NVQMJHXPYYLAEN-SSDOTTSWSA-N 1 2 220.232 -0.046 20 0 BBADLO Nc1nccnc1C(=O)NCc1[nH]cc[nH+]1 ZINC000114690451 385421405 /nfs/dbraw/zinc/42/14/05/385421405.db2.gz GQRXBXXDKFQDFW-UHFFFAOYSA-N 1 2 218.220 -0.288 20 0 BBADLO C[C@H](O)CCNC(=O)NCCn1cc[nH+]c1 ZINC000114817906 384055526 /nfs/dbraw/zinc/05/55/26/384055526.db2.gz VQRANMKWPCJWDP-VIFPVBQESA-N 1 2 226.280 -0.047 20 0 BBADLO C[C@@H](O)CCNC(=O)NCCn1cc[nH+]c1 ZINC000114817907 384056045 /nfs/dbraw/zinc/05/60/45/384056045.db2.gz VQRANMKWPCJWDP-SECBINFHSA-N 1 2 226.280 -0.047 20 0 BBADLO COCC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114857498 174051011 /nfs/dbraw/zinc/05/10/11/174051011.db2.gz GBVBOOXLNAJHBO-SNVBAGLBSA-N 1 2 228.292 -0.388 20 0 BBADLO COCC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114857498 174051010 /nfs/dbraw/zinc/05/10/10/174051010.db2.gz GBVBOOXLNAJHBO-SNVBAGLBSA-N 1 2 228.292 -0.388 20 0 BBADLO COCC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114857499 174051359 /nfs/dbraw/zinc/05/13/59/174051359.db2.gz GBVBOOXLNAJHBO-JTQLQIEISA-N 1 2 228.292 -0.388 20 0 BBADLO COCC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114857499 174051356 /nfs/dbraw/zinc/05/13/56/174051356.db2.gz GBVBOOXLNAJHBO-JTQLQIEISA-N 1 2 228.292 -0.388 20 0 BBADLO CC[C@@H]1COCC[N@H+]1CC(=O)N1CCNC1=O ZINC000115572594 171107013 /nfs/dbraw/zinc/10/70/13/171107013.db2.gz WXOSGBIGIOJRAN-SECBINFHSA-N 1 2 241.291 -0.351 20 0 BBADLO CC[C@@H]1COCC[N@@H+]1CC(=O)N1CCNC1=O ZINC000115572594 171107012 /nfs/dbraw/zinc/10/70/12/171107012.db2.gz WXOSGBIGIOJRAN-SECBINFHSA-N 1 2 241.291 -0.351 20 0 BBADLO CC[C@H]1COCC[N@H+]1CC(=O)N1CCNC1=O ZINC000115572598 387724698 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386671483 /nfs/dbraw/zinc/67/14/83/386671483.db2.gz MMLSESQDNKQNCV-VHSXEESVSA-N 1 2 238.291 -0.107 20 0 BBADLO Cc1noc(CN2C[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000120945079 386671480 /nfs/dbraw/zinc/67/14/80/386671480.db2.gz MMLSESQDNKQNCV-VHSXEESVSA-N 1 2 238.291 -0.107 20 0 BBADLO COCC[N@H+](CC(=O)OC)C[C@H](C)CO ZINC000120966089 354232974 /nfs/dbraw/zinc/23/29/74/354232974.db2.gz KXXKRLLKBNVFNN-VIFPVBQESA-N 1 2 219.281 -0.264 20 0 BBADLO COCC[N@@H+](CC(=O)OC)C[C@H](C)CO ZINC000120966089 354232971 /nfs/dbraw/zinc/23/29/71/354232971.db2.gz KXXKRLLKBNVFNN-VIFPVBQESA-N 1 2 219.281 -0.264 20 0 BBADLO COCC[N@H+](CC(=O)OC)C[C@@H](C)CO ZINC000120966259 354237503 /nfs/dbraw/zinc/23/75/03/354237503.db2.gz KXXKRLLKBNVFNN-SECBINFHSA-N 1 2 219.281 -0.264 20 0 BBADLO COCC[N@@H+](CC(=O)OC)C[C@@H](C)CO ZINC000120966259 354237502 /nfs/dbraw/zinc/23/75/02/354237502.db2.gz KXXKRLLKBNVFNN-SECBINFHSA-N 1 2 219.281 -0.264 20 0 BBADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121274177 136277537 /nfs/dbraw/zinc/27/75/37/136277537.db2.gz YIUKUGHGNYIJPK-VIFPVBQESA-N 1 2 239.319 -0.196 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121274177 136277536 /nfs/dbraw/zinc/27/75/36/136277536.db2.gz YIUKUGHGNYIJPK-VIFPVBQESA-N 1 2 239.319 -0.196 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121274351 136277474 /nfs/dbraw/zinc/27/74/74/136277474.db2.gz YIUKUGHGNYIJPK-SECBINFHSA-N 1 2 239.319 -0.196 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121274351 136277473 /nfs/dbraw/zinc/27/74/73/136277473.db2.gz YIUKUGHGNYIJPK-SECBINFHSA-N 1 2 239.319 -0.196 20 0 BBADLO CC1(C(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000121537287 167865378 /nfs/dbraw/zinc/86/53/78/167865378.db2.gz YSGAHVBQKXXUHI-UHFFFAOYSA-N 1 2 212.293 -0.077 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)NC(CO)CO ZINC000121696533 384432808 /nfs/dbraw/zinc/43/28/08/384432808.db2.gz OKRQYOCHYGKORH-UHFFFAOYSA-N 1 2 225.248 -0.135 20 0 BBADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(N)=O ZINC000121748665 589529281 /nfs/dbraw/zinc/52/92/81/589529281.db2.gz XAZLBPGPPZQBEO-MRVPVSSYSA-N 1 2 214.265 -0.111 20 0 BBADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(N)=O ZINC000121748665 589529280 /nfs/dbraw/zinc/52/92/80/589529280.db2.gz XAZLBPGPPZQBEO-MRVPVSSYSA-N 1 2 214.265 -0.111 20 0 BBADLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(N)=O ZINC000121748831 589529510 /nfs/dbraw/zinc/52/95/10/589529510.db2.gz XAZLBPGPPZQBEO-QMMMGPOBSA-N 1 2 214.265 -0.111 20 0 BBADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(N)=O ZINC000121748831 589529508 /nfs/dbraw/zinc/52/95/08/589529508.db2.gz XAZLBPGPPZQBEO-QMMMGPOBSA-N 1 2 214.265 -0.111 20 0 BBADLO C[C@H](NC(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC000121764066 387406448 /nfs/dbraw/zinc/40/64/48/387406448.db2.gz OLASIOPNPCGLDO-QMMMGPOBSA-N 1 2 224.264 -0.524 20 0 BBADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC000121764264 387405985 /nfs/dbraw/zinc/40/59/85/387405985.db2.gz OLASIOPNPCGLDO-MRVPVSSYSA-N 1 2 224.264 -0.524 20 0 BBADLO OCC[C@H]1COCC[N@H+]1C[C@H](O)C(F)(F)F ZINC000121848569 589535521 /nfs/dbraw/zinc/53/55/21/589535521.db2.gz PJPQKUGDCIISAA-YUMQZZPRSA-N 1 2 243.225 -0.007 20 0 BBADLO OCC[C@H]1COCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000121848569 589535520 /nfs/dbraw/zinc/53/55/20/589535520.db2.gz PJPQKUGDCIISAA-YUMQZZPRSA-N 1 2 243.225 -0.007 20 0 BBADLO OCC[C@@H]1COCC[N@H+]1C[C@H](O)C(F)(F)F ZINC000121848729 589535796 /nfs/dbraw/zinc/53/57/96/589535796.db2.gz PJPQKUGDCIISAA-SFYZADRCSA-N 1 2 243.225 -0.007 20 0 BBADLO OCC[C@@H]1COCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000121848729 589535795 /nfs/dbraw/zinc/53/57/95/589535795.db2.gz PJPQKUGDCIISAA-SFYZADRCSA-N 1 2 243.225 -0.007 20 0 BBADLO CCN(C)C(=O)NCC[NH+]1CCOCC1 ZINC000121938673 385872228 /nfs/dbraw/zinc/87/22/28/385872228.db2.gz HKSVJQOMQBWMAP-UHFFFAOYSA-N 1 2 215.297 -0.020 20 0 BBADLO O=C(Cn1cn[nH]c1=O)Nc1cc[nH+]cc1O ZINC000122105618 182070821 /nfs/dbraw/zinc/07/08/21/182070821.db2.gz KGXNIPAFDKIHAT-UHFFFAOYSA-N 1 2 235.203 -0.689 20 0 BBADLO CC(=O)N1CC[NH+](CC2OCCO2)CC1 ZINC000122125418 589556491 /nfs/dbraw/zinc/55/64/91/589556491.db2.gz MHUYMUWYANHWPF-UHFFFAOYSA-N 1 2 214.265 -0.477 20 0 BBADLO COC(=O)[C@H]1COCCN1Cc1c[nH+]cn1C ZINC000122130293 173823758 /nfs/dbraw/zinc/82/37/58/173823758.db2.gz LLKHWRWCZJZLQY-SNVBAGLBSA-N 1 2 239.275 -0.206 20 0 BBADLO COC(=O)[C@@H]1COCCN1Cc1c[nH+]cn1C ZINC000122130547 384460502 /nfs/dbraw/zinc/46/05/02/384460502.db2.gz LLKHWRWCZJZLQY-JTQLQIEISA-N 1 2 239.275 -0.206 20 0 BBADLO CN(C)C(=O)C[N@@H+](C)CC1OCCO1 ZINC000122148982 589557189 /nfs/dbraw/zinc/55/71/89/589557189.db2.gz NWGZBMJTATXSCF-UHFFFAOYSA-N 1 2 202.254 -0.621 20 0 BBADLO CN(C)C(=O)C[N@H+](C)CC1OCCO1 ZINC000122148982 589557188 /nfs/dbraw/zinc/55/71/88/589557188.db2.gz NWGZBMJTATXSCF-UHFFFAOYSA-N 1 2 202.254 -0.621 20 0 BBADLO CCN1C(=O)CN(C[N@@H+](C)[C@@H]2CCOC2)C1=O ZINC000122221950 589565965 /nfs/dbraw/zinc/56/59/65/589565965.db2.gz AHODORPXVDYPNJ-SECBINFHSA-N 1 2 241.291 -0.051 20 0 BBADLO CCN1C(=O)CN(C[N@H+](C)[C@@H]2CCOC2)C1=O ZINC000122221950 589565963 /nfs/dbraw/zinc/56/59/63/589565963.db2.gz AHODORPXVDYPNJ-SECBINFHSA-N 1 2 241.291 -0.051 20 0 BBADLO CCN1C(=O)CN(C[N@@H+](C)[C@H]2CCOC2)C1=O ZINC000122222211 589566129 /nfs/dbraw/zinc/56/61/29/589566129.db2.gz AHODORPXVDYPNJ-VIFPVBQESA-N 1 2 241.291 -0.051 20 0 BBADLO CCN1C(=O)CN(C[N@H+](C)[C@H]2CCOC2)C1=O ZINC000122222211 589566128 /nfs/dbraw/zinc/56/61/28/589566128.db2.gz AHODORPXVDYPNJ-VIFPVBQESA-N 1 2 241.291 -0.051 20 0 BBADLO COCCCNC(=O)C[N@@H+](C)CC1OCCO1 ZINC000122231608 589567422 /nfs/dbraw/zinc/56/74/22/589567422.db2.gz UJMHZCVPQUBEBP-UHFFFAOYSA-N 1 2 246.307 -0.556 20 0 BBADLO COCCCNC(=O)C[N@H+](C)CC1OCCO1 ZINC000122231608 589567420 /nfs/dbraw/zinc/56/74/20/589567420.db2.gz UJMHZCVPQUBEBP-UHFFFAOYSA-N 1 2 246.307 -0.556 20 0 BBADLO COCC[N@@H+](CCO)Cc1nc(C)no1 ZINC000122295613 174295165 /nfs/dbraw/zinc/29/51/65/174295165.db2.gz MLLVIKFSNFLROT-UHFFFAOYSA-N 1 2 215.253 -0.181 20 0 BBADLO COCC[N@H+](CCO)Cc1nc(C)no1 ZINC000122295613 174295162 /nfs/dbraw/zinc/29/51/62/174295162.db2.gz MLLVIKFSNFLROT-UHFFFAOYSA-N 1 2 215.253 -0.181 20 0 BBADLO CCOC(=O)C[N@@H+](CCO)CCOC ZINC000122298224 324040199 /nfs/dbraw/zinc/04/01/99/324040199.db2.gz HNZOFRZKVYLOKC-UHFFFAOYSA-N 1 2 205.254 -0.510 20 0 BBADLO CCOC(=O)C[N@H+](CCO)CCOC ZINC000122298224 324040195 /nfs/dbraw/zinc/04/01/95/324040195.db2.gz HNZOFRZKVYLOKC-UHFFFAOYSA-N 1 2 205.254 -0.510 20 0 BBADLO Cn1cc[nH+]c1CNC(=O)N1CCOCC1 ZINC000122423639 136222193 /nfs/dbraw/zinc/22/21/93/136222193.db2.gz NHKQVXCRDMRIMO-UHFFFAOYSA-N 1 2 224.264 -0.038 20 0 BBADLO CCCNC(=O)C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000122458604 169222064 /nfs/dbraw/zinc/22/20/64/169222064.db2.gz MTMLNNBDBQKJJZ-BDAKNGLRSA-N 1 2 243.307 -0.913 20 0 BBADLO CCCNC(=O)C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000122458604 169222062 /nfs/dbraw/zinc/22/20/62/169222062.db2.gz MTMLNNBDBQKJJZ-BDAKNGLRSA-N 1 2 243.307 -0.913 20 0 BBADLO CCCNC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000122458850 169222991 /nfs/dbraw/zinc/22/29/91/169222991.db2.gz MTMLNNBDBQKJJZ-RKDXNWHRSA-N 1 2 243.307 -0.913 20 0 BBADLO CCCNC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000122458850 169222990 /nfs/dbraw/zinc/22/29/90/169222990.db2.gz MTMLNNBDBQKJJZ-RKDXNWHRSA-N 1 2 243.307 -0.913 20 0 BBADLO CCOC(=O)C[N@@H+](CC)C[C@H](O)CO ZINC000122461470 633758842 /nfs/dbraw/zinc/75/88/42/633758842.db2.gz PIRYYQWCYWKHCW-QMMMGPOBSA-N 1 2 205.254 -0.775 20 0 BBADLO CCOC(=O)C[N@H+](CC)C[C@H](O)CO ZINC000122461470 633758838 /nfs/dbraw/zinc/75/88/38/633758838.db2.gz PIRYYQWCYWKHCW-QMMMGPOBSA-N 1 2 205.254 -0.775 20 0 BBADLO CCOC(=O)C[N@@H+](CC)C[C@@H](O)CO ZINC000122461663 711748414 /nfs/dbraw/zinc/74/84/14/711748414.db2.gz PIRYYQWCYWKHCW-MRVPVSSYSA-N 1 2 205.254 -0.775 20 0 BBADLO CCOC(=O)C[N@H+](CC)C[C@@H](O)CO ZINC000122461663 711748412 /nfs/dbraw/zinc/74/84/12/711748412.db2.gz PIRYYQWCYWKHCW-MRVPVSSYSA-N 1 2 205.254 -0.775 20 0 BBADLO COC(=O)C[N@@H+](C[C@@H](O)CO)C(C)C ZINC000122462654 633760888 /nfs/dbraw/zinc/76/08/88/633760888.db2.gz GQKLQRMQYWWFGK-MRVPVSSYSA-N 1 2 205.254 -0.777 20 0 BBADLO COC(=O)C[N@H+](C[C@@H](O)CO)C(C)C ZINC000122462654 633760885 /nfs/dbraw/zinc/76/08/85/633760885.db2.gz GQKLQRMQYWWFGK-MRVPVSSYSA-N 1 2 205.254 -0.777 20 0 BBADLO CCC[N@H+](CC(=O)OC)C[C@H](O)CO ZINC000122463391 711748243 /nfs/dbraw/zinc/74/82/43/711748243.db2.gz KXISKUMNQJWETR-QMMMGPOBSA-N 1 2 205.254 -0.775 20 0 BBADLO CCC[N@@H+](CC(=O)OC)C[C@H](O)CO ZINC000122463391 711748241 /nfs/dbraw/zinc/74/82/41/711748241.db2.gz KXISKUMNQJWETR-QMMMGPOBSA-N 1 2 205.254 -0.775 20 0 BBADLO CCC[N@H+](CC(=O)OC)C[C@@H](O)CO ZINC000122463630 633760831 /nfs/dbraw/zinc/76/08/31/633760831.db2.gz KXISKUMNQJWETR-MRVPVSSYSA-N 1 2 205.254 -0.775 20 0 BBADLO CCC[N@@H+](CC(=O)OC)C[C@@H](O)CO ZINC000122463630 633760826 /nfs/dbraw/zinc/76/08/26/633760826.db2.gz KXISKUMNQJWETR-MRVPVSSYSA-N 1 2 205.254 -0.775 20 0 BBADLO COC[C@H](C)NC(=O)NC(=O)Cn1cc[nH+]c1 ZINC000122506767 174543383 /nfs/dbraw/zinc/54/33/83/174543383.db2.gz IKHMMQMLIVBNDM-QMMMGPOBSA-N 1 2 240.263 -0.256 20 0 BBADLO COC[C@@H](C)NC(=O)NC(=O)Cn1cc[nH+]c1 ZINC000122506957 384488473 /nfs/dbraw/zinc/48/84/73/384488473.db2.gz IKHMMQMLIVBNDM-MRVPVSSYSA-N 1 2 240.263 -0.256 20 0 BBADLO COC(=O)CCNC(=O)Cn1cc[nH+]c1 ZINC000122521418 386236059 /nfs/dbraw/zinc/23/60/59/386236059.db2.gz UTHVMLMXMLKGTG-UHFFFAOYSA-N 1 2 211.221 -0.438 20 0 BBADLO CC(C)NC(=O)C[N@H+]1CCNC(=O)CC1 ZINC000122591196 167052928 /nfs/dbraw/zinc/05/29/28/167052928.db2.gz IWAZOKTXMYPJEH-UHFFFAOYSA-N 1 2 213.281 -0.667 20 0 BBADLO CC(C)NC(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000122591196 167052927 /nfs/dbraw/zinc/05/29/27/167052927.db2.gz IWAZOKTXMYPJEH-UHFFFAOYSA-N 1 2 213.281 -0.667 20 0 BBADLO COCC[N@@H+](CCO)Cc1nccn1C ZINC000122649826 174294723 /nfs/dbraw/zinc/29/47/23/174294723.db2.gz MISUKHQZTXXCPY-UHFFFAOYSA-N 1 2 213.281 -0.139 20 0 BBADLO COCC[N@H+](CCO)Cc1nccn1C ZINC000122649826 174294720 /nfs/dbraw/zinc/29/47/20/174294720.db2.gz MISUKHQZTXXCPY-UHFFFAOYSA-N 1 2 213.281 -0.139 20 0 BBADLO COCC[N@@H+](C)Cc1nc(N)nc(N)n1 ZINC000122896710 174280197 /nfs/dbraw/zinc/28/01/97/174280197.db2.gz TYKCLGVYEHXXRQ-UHFFFAOYSA-N 1 2 212.257 -0.886 20 0 BBADLO COCC[N@H+](C)Cc1nc(N)nc(N)n1 ZINC000122896710 174280195 /nfs/dbraw/zinc/28/01/95/174280195.db2.gz TYKCLGVYEHXXRQ-UHFFFAOYSA-N 1 2 212.257 -0.886 20 0 BBADLO Cc1cc(C(=O)N2CC[NH+](CCO)CC2)n[nH]1 ZINC000123007748 387636205 /nfs/dbraw/zinc/63/62/05/387636205.db2.gz CJBCRSCTZPCDNJ-UHFFFAOYSA-N 1 2 238.291 -0.532 20 0 BBADLO Cc1cc(C(=O)N2CC[NH+](CCO)CC2)[nH]n1 ZINC000123007748 387636202 /nfs/dbraw/zinc/63/62/02/387636202.db2.gz CJBCRSCTZPCDNJ-UHFFFAOYSA-N 1 2 238.291 -0.532 20 0 BBADLO CNC(=S)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000123129370 589665571 /nfs/dbraw/zinc/66/55/71/589665571.db2.gz IFECARMGGQGUEQ-MRVPVSSYSA-N 1 2 216.354 -0.674 20 0 BBADLO CNC(=S)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000123129370 589665569 /nfs/dbraw/zinc/66/55/69/589665569.db2.gz IFECARMGGQGUEQ-MRVPVSSYSA-N 1 2 216.354 -0.674 20 0 BBADLO CNC(=S)NC[C@H]1CN(C)CC[N@H+]1C ZINC000123129534 589665302 /nfs/dbraw/zinc/66/53/02/589665302.db2.gz IFECARMGGQGUEQ-QMMMGPOBSA-N 1 2 216.354 -0.674 20 0 BBADLO CNC(=S)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000123129534 589665301 /nfs/dbraw/zinc/66/53/01/589665301.db2.gz IFECARMGGQGUEQ-QMMMGPOBSA-N 1 2 216.354 -0.674 20 0 BBADLO CCNC(=S)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000123130832 589665645 /nfs/dbraw/zinc/66/56/45/589665645.db2.gz KNEDPVKMVMFPFT-SECBINFHSA-N 1 2 230.381 -0.284 20 0 BBADLO CCNC(=S)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000123130832 589665643 /nfs/dbraw/zinc/66/56/43/589665643.db2.gz KNEDPVKMVMFPFT-SECBINFHSA-N 1 2 230.381 -0.284 20 0 BBADLO CCNC(=S)NC[C@H]1CN(C)CC[N@H+]1C ZINC000123131022 589665495 /nfs/dbraw/zinc/66/54/95/589665495.db2.gz KNEDPVKMVMFPFT-VIFPVBQESA-N 1 2 230.381 -0.284 20 0 BBADLO CCNC(=S)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000123131022 589665494 /nfs/dbraw/zinc/66/54/94/589665494.db2.gz KNEDPVKMVMFPFT-VIFPVBQESA-N 1 2 230.381 -0.284 20 0 BBADLO CN1CC[N@@H+](C)[C@H](CNC(=S)NC2CC2)C1 ZINC000123131347 589665507 /nfs/dbraw/zinc/66/55/07/589665507.db2.gz OVUCNIIVVZBBGJ-SNVBAGLBSA-N 1 2 242.392 -0.141 20 0 BBADLO CN1CC[N@H+](C)[C@H](CNC(=S)NC2CC2)C1 ZINC000123131347 589665506 /nfs/dbraw/zinc/66/55/06/589665506.db2.gz OVUCNIIVVZBBGJ-SNVBAGLBSA-N 1 2 242.392 -0.141 20 0 BBADLO C[C@@H]1CN(Cc2[nH+]ccn2C)C[C@H](C(N)=O)O1 ZINC000123159663 191141165 /nfs/dbraw/zinc/14/11/65/191141165.db2.gz WKDJVXWUWGMEPM-RKDXNWHRSA-N 1 2 238.291 -0.505 20 0 BBADLO C[C@@H]1CN(Cc2[nH+]ccn2C)C[C@@H](C(N)=O)O1 ZINC000123159889 191140792 /nfs/dbraw/zinc/14/07/92/191140792.db2.gz WKDJVXWUWGMEPM-BDAKNGLRSA-N 1 2 238.291 -0.505 20 0 BBADLO COC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000123161413 589670369 /nfs/dbraw/zinc/67/03/69/589670369.db2.gz YUDOXPBUKJSWKI-MRVPVSSYSA-N 1 2 201.270 -0.412 20 0 BBADLO COC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000123161413 589670368 /nfs/dbraw/zinc/67/03/68/589670368.db2.gz YUDOXPBUKJSWKI-MRVPVSSYSA-N 1 2 201.270 -0.412 20 0 BBADLO CC(C)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000123206010 167073312 /nfs/dbraw/zinc/07/33/12/167073312.db2.gz FCFAXIMRPKQESL-SNVBAGLBSA-N 1 2 228.340 -0.060 20 0 BBADLO CC(C)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000123206010 167073310 /nfs/dbraw/zinc/07/33/10/167073310.db2.gz FCFAXIMRPKQESL-SNVBAGLBSA-N 1 2 228.340 -0.060 20 0 BBADLO CC(C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000123206244 167073724 /nfs/dbraw/zinc/07/37/24/167073724.db2.gz FCFAXIMRPKQESL-JTQLQIEISA-N 1 2 228.340 -0.060 20 0 BBADLO CC(C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000123206244 167073722 /nfs/dbraw/zinc/07/37/22/167073722.db2.gz FCFAXIMRPKQESL-JTQLQIEISA-N 1 2 228.340 -0.060 20 0 BBADLO CN1CC[N@@H+](C)[C@H](CNC(=O)NC2CC2)C1 ZINC000123206685 173075805 /nfs/dbraw/zinc/07/58/05/173075805.db2.gz UJHZTGJYWXQLJB-SNVBAGLBSA-N 1 2 226.324 -0.306 20 0 BBADLO CN1CC[N@H+](C)[C@H](CNC(=O)NC2CC2)C1 ZINC000123206685 173075801 /nfs/dbraw/zinc/07/58/01/173075801.db2.gz UJHZTGJYWXQLJB-SNVBAGLBSA-N 1 2 226.324 -0.306 20 0 BBADLO CCCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000123207781 169237297 /nfs/dbraw/zinc/23/72/97/169237297.db2.gz IPILGTRNPJOCPG-SNVBAGLBSA-N 1 2 228.340 -0.059 20 0 BBADLO CCCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000123207781 169237295 /nfs/dbraw/zinc/23/72/95/169237295.db2.gz IPILGTRNPJOCPG-SNVBAGLBSA-N 1 2 228.340 -0.059 20 0 BBADLO CCCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000123208011 169237176 /nfs/dbraw/zinc/23/71/76/169237176.db2.gz IPILGTRNPJOCPG-JTQLQIEISA-N 1 2 228.340 -0.059 20 0 BBADLO CCCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000123208011 169237174 /nfs/dbraw/zinc/23/71/74/169237174.db2.gz IPILGTRNPJOCPG-JTQLQIEISA-N 1 2 228.340 -0.059 20 0 BBADLO CCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000123208491 170080307 /nfs/dbraw/zinc/08/03/07/170080307.db2.gz DSKDDQBIEZRLMJ-SECBINFHSA-N 1 2 214.313 -0.449 20 0 BBADLO CCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000123208491 170080305 /nfs/dbraw/zinc/08/03/05/170080305.db2.gz DSKDDQBIEZRLMJ-SECBINFHSA-N 1 2 214.313 -0.449 20 0 BBADLO CCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000123208723 170081108 /nfs/dbraw/zinc/08/11/08/170081108.db2.gz DSKDDQBIEZRLMJ-VIFPVBQESA-N 1 2 214.313 -0.449 20 0 BBADLO CCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000123208723 170081106 /nfs/dbraw/zinc/08/11/06/170081106.db2.gz DSKDDQBIEZRLMJ-VIFPVBQESA-N 1 2 214.313 -0.449 20 0 BBADLO COC(=O)[C@H]1C[N@@H+](CCO)C[C@@H](C)O1 ZINC000123378131 387687059 /nfs/dbraw/zinc/68/70/59/387687059.db2.gz PILYYTUNWUNTCA-HTQZYQBOSA-N 1 2 203.238 -0.759 20 0 BBADLO COC(=O)[C@H]1C[N@H+](CCO)C[C@@H](C)O1 ZINC000123378131 387687055 /nfs/dbraw/zinc/68/70/55/387687055.db2.gz PILYYTUNWUNTCA-HTQZYQBOSA-N 1 2 203.238 -0.759 20 0 BBADLO COC(=O)[C@@H]1C[N@@H+](CCO)C[C@@H](C)O1 ZINC000123378362 344489907 /nfs/dbraw/zinc/48/99/07/344489907.db2.gz PILYYTUNWUNTCA-SFYZADRCSA-N 1 2 203.238 -0.759 20 0 BBADLO COC(=O)[C@@H]1C[N@H+](CCO)C[C@@H](C)O1 ZINC000123378362 344489905 /nfs/dbraw/zinc/48/99/05/344489905.db2.gz PILYYTUNWUNTCA-SFYZADRCSA-N 1 2 203.238 -0.759 20 0 BBADLO O=C1CNC(=O)N1CCCn1cc[nH+]c1 ZINC000123443441 385883288 /nfs/dbraw/zinc/88/32/88/385883288.db2.gz PIZZJXJCQYPMRC-UHFFFAOYSA-N 1 2 208.221 -0.175 20 0 BBADLO O=C1C[N@@H+](CCC2OCCO2)CCN1 ZINC000123593393 582850446 /nfs/dbraw/zinc/85/04/46/582850446.db2.gz HJSURQGLEJYNAJ-UHFFFAOYSA-N 1 2 200.238 -0.819 20 0 BBADLO O=C1C[N@H+](CCC2OCCO2)CCN1 ZINC000123593393 582850444 /nfs/dbraw/zinc/85/04/44/582850444.db2.gz HJSURQGLEJYNAJ-UHFFFAOYSA-N 1 2 200.238 -0.819 20 0 BBADLO CS(=O)(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000123617259 387588717 /nfs/dbraw/zinc/58/87/17/387588717.db2.gz AHAWDDHXAHTCFW-SECBINFHSA-N 1 2 234.321 -0.601 20 0 BBADLO CS(=O)(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000123617259 387588715 /nfs/dbraw/zinc/58/87/15/387588715.db2.gz AHAWDDHXAHTCFW-SECBINFHSA-N 1 2 234.321 -0.601 20 0 BBADLO CS(=O)(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000123617506 387588652 /nfs/dbraw/zinc/58/86/52/387588652.db2.gz AHAWDDHXAHTCFW-VIFPVBQESA-N 1 2 234.321 -0.601 20 0 BBADLO CS(=O)(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000123617506 387588647 /nfs/dbraw/zinc/58/86/47/387588647.db2.gz AHAWDDHXAHTCFW-VIFPVBQESA-N 1 2 234.321 -0.601 20 0 BBADLO CCS(=O)(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000123664643 387590577 /nfs/dbraw/zinc/59/05/77/387590577.db2.gz DZNRGOHMDIRFKO-SNVBAGLBSA-N 1 2 248.348 -0.211 20 0 BBADLO CCS(=O)(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000123664643 387590572 /nfs/dbraw/zinc/59/05/72/387590572.db2.gz DZNRGOHMDIRFKO-SNVBAGLBSA-N 1 2 248.348 -0.211 20 0 BBADLO CCS(=O)(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000123664868 387590535 /nfs/dbraw/zinc/59/05/35/387590535.db2.gz DZNRGOHMDIRFKO-JTQLQIEISA-N 1 2 248.348 -0.211 20 0 BBADLO CCS(=O)(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000123664868 387590531 /nfs/dbraw/zinc/59/05/31/387590531.db2.gz DZNRGOHMDIRFKO-JTQLQIEISA-N 1 2 248.348 -0.211 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000123709949 371099778 /nfs/dbraw/zinc/09/97/78/371099778.db2.gz HFXWGQVEXOCLJP-VGMNWLOBSA-N 1 2 244.291 -0.487 20 0 BBADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000123709949 371099769 /nfs/dbraw/zinc/09/97/69/371099769.db2.gz HFXWGQVEXOCLJP-VGMNWLOBSA-N 1 2 244.291 -0.487 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000123710211 171245019 /nfs/dbraw/zinc/24/50/19/171245019.db2.gz HFXWGQVEXOCLJP-HLTSFMKQSA-N 1 2 244.291 -0.487 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000123710211 171245015 /nfs/dbraw/zinc/24/50/15/171245015.db2.gz HFXWGQVEXOCLJP-HLTSFMKQSA-N 1 2 244.291 -0.487 20 0 BBADLO COCC[N@H+]1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000123732513 174317110 /nfs/dbraw/zinc/31/71/10/174317110.db2.gz ZYRTZWOAUPHSNV-RKDXNWHRSA-N 1 2 217.265 -0.105 20 0 BBADLO COCC[N@@H+]1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000123732513 174317109 /nfs/dbraw/zinc/31/71/09/174317109.db2.gz ZYRTZWOAUPHSNV-RKDXNWHRSA-N 1 2 217.265 -0.105 20 0 BBADLO COCC[N@H+]1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000123732784 371100873 /nfs/dbraw/zinc/10/08/73/371100873.db2.gz ZYRTZWOAUPHSNV-BDAKNGLRSA-N 1 2 217.265 -0.105 20 0 BBADLO COCC[N@@H+]1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000123732784 371100871 /nfs/dbraw/zinc/10/08/71/371100871.db2.gz ZYRTZWOAUPHSNV-BDAKNGLRSA-N 1 2 217.265 -0.105 20 0 BBADLO Cn1ccc(C[NH2+][C@@H]2CC(=O)N(C)C2=O)n1 ZINC000123824778 343165996 /nfs/dbraw/zinc/16/59/96/343165996.db2.gz OEGSZQXQECVPSP-MRVPVSSYSA-N 1 2 222.248 -0.733 20 0 BBADLO Cn1ccc(C[NH2+][C@H]2CC(=O)N(C)C2=O)n1 ZINC000123825046 343165807 /nfs/dbraw/zinc/16/58/07/343165807.db2.gz OEGSZQXQECVPSP-QMMMGPOBSA-N 1 2 222.248 -0.733 20 0 BBADLO Cn1nncc1C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000123834101 387595983 /nfs/dbraw/zinc/59/59/83/387595983.db2.gz IIQKGVSTBABPFS-SNVBAGLBSA-N 1 2 237.307 -0.084 20 0 BBADLO Cn1nncc1C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000123834101 387595979 /nfs/dbraw/zinc/59/59/79/387595979.db2.gz IIQKGVSTBABPFS-SNVBAGLBSA-N 1 2 237.307 -0.084 20 0 BBADLO Cn1nncc1C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000123834361 387595017 /nfs/dbraw/zinc/59/50/17/387595017.db2.gz IIQKGVSTBABPFS-JTQLQIEISA-N 1 2 237.307 -0.084 20 0 BBADLO Cn1nncc1C[N@H+](C)[C@H]1CCCCNC1=O ZINC000123834361 387595014 /nfs/dbraw/zinc/59/50/14/387595014.db2.gz IIQKGVSTBABPFS-JTQLQIEISA-N 1 2 237.307 -0.084 20 0 BBADLO C[C@]1(O)CCC[N@@H+](Cc2nc(N)nc(N)n2)C1 ZINC000124033355 387603595 /nfs/dbraw/zinc/60/35/95/387603595.db2.gz UBCWTKAVIPJATQ-JTQLQIEISA-N 1 2 238.295 -0.617 20 0 BBADLO C[C@]1(O)CCC[N@H+](Cc2nc(N)nc(N)n2)C1 ZINC000124033355 387603585 /nfs/dbraw/zinc/60/35/85/387603585.db2.gz UBCWTKAVIPJATQ-JTQLQIEISA-N 1 2 238.295 -0.617 20 0 BBADLO C[C@@]1(O)CCC[N@@H+](Cc2nc(N)nc(N)n2)C1 ZINC000124033548 387601991 /nfs/dbraw/zinc/60/19/91/387601991.db2.gz UBCWTKAVIPJATQ-SNVBAGLBSA-N 1 2 238.295 -0.617 20 0 BBADLO C[C@@]1(O)CCC[N@H+](Cc2nc(N)nc(N)n2)C1 ZINC000124033548 387601986 /nfs/dbraw/zinc/60/19/86/387601986.db2.gz UBCWTKAVIPJATQ-SNVBAGLBSA-N 1 2 238.295 -0.617 20 0 BBADLO COCC[N@@H+](CCO)Cc1ncccn1 ZINC000124068120 174295518 /nfs/dbraw/zinc/29/55/18/174295518.db2.gz AIPYMHIKOGEUOS-UHFFFAOYSA-N 1 2 211.265 -0.083 20 0 BBADLO COCC[N@H+](CCO)Cc1ncccn1 ZINC000124068120 174295516 /nfs/dbraw/zinc/29/55/16/174295516.db2.gz AIPYMHIKOGEUOS-UHFFFAOYSA-N 1 2 211.265 -0.083 20 0 BBADLO CC[NH+](CC)CCNC(=O)c1nc(=O)[nH][nH]1 ZINC000124214847 324611304 /nfs/dbraw/zinc/61/13/04/324611304.db2.gz PGXLXIDMOSWJPY-UHFFFAOYSA-N 1 2 227.268 -0.830 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+](C)CC(C)(C)S(C)(=O)=O ZINC000124219573 589965814 /nfs/dbraw/zinc/96/58/14/589965814.db2.gz WXAUXGGGHWXOOM-ZETCQYMHSA-N 1 2 236.337 -0.385 20 0 BBADLO C[C@@H](C(N)=O)[N@H+](C)CC(C)(C)S(C)(=O)=O ZINC000124219573 589965813 /nfs/dbraw/zinc/96/58/13/589965813.db2.gz WXAUXGGGHWXOOM-ZETCQYMHSA-N 1 2 236.337 -0.385 20 0 BBADLO C[C@H](C(N)=O)[N@@H+](C)CC(C)(C)S(C)(=O)=O ZINC000124219818 589965529 /nfs/dbraw/zinc/96/55/29/589965529.db2.gz WXAUXGGGHWXOOM-SSDOTTSWSA-N 1 2 236.337 -0.385 20 0 BBADLO C[C@H](C(N)=O)[N@H+](C)CC(C)(C)S(C)(=O)=O ZINC000124219818 589965528 /nfs/dbraw/zinc/96/55/28/589965528.db2.gz WXAUXGGGHWXOOM-SSDOTTSWSA-N 1 2 236.337 -0.385 20 0 BBADLO COCC(=O)N1CC[NH+](CCC(C)=O)CC1 ZINC000124617574 644064528 /nfs/dbraw/zinc/06/45/28/644064528.db2.gz KLICEBSDVLMKSV-UHFFFAOYSA-N 1 2 228.292 -0.244 20 0 BBADLO Cn1cnn(C[N@@H+](C)CC2CCOCC2)c1=O ZINC000124626779 590066992 /nfs/dbraw/zinc/06/69/92/590066992.db2.gz SNYAHTNGYRKODV-UHFFFAOYSA-N 1 2 240.307 -0.102 20 0 BBADLO Cn1cnn(C[N@H+](C)CC2CCOCC2)c1=O ZINC000124626779 590066989 /nfs/dbraw/zinc/06/69/89/590066989.db2.gz SNYAHTNGYRKODV-UHFFFAOYSA-N 1 2 240.307 -0.102 20 0 BBADLO CCN(C)C(=O)C[NH2+]Cc1ccn(C)n1 ZINC000124740219 169674751 /nfs/dbraw/zinc/67/47/51/169674751.db2.gz TWFOBVZVAHKEAQ-UHFFFAOYSA-N 1 2 210.281 -0.012 20 0 BBADLO CCOCCNC(=O)NCC[NH+]1CCOCC1 ZINC000124827726 387634705 /nfs/dbraw/zinc/63/47/05/387634705.db2.gz FRSSLGOPBQGGSD-UHFFFAOYSA-N 1 2 245.323 -0.346 20 0 BBADLO C[C@@H](C(N)=O)[N@H+]1CCCC2(C1)OCCO2 ZINC000124839442 590092256 /nfs/dbraw/zinc/09/22/56/590092256.db2.gz XKLGNULEBIUVNE-QMMMGPOBSA-N 1 2 214.265 -0.301 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+]1CCCC2(C1)OCCO2 ZINC000124839442 590092254 /nfs/dbraw/zinc/09/22/54/590092254.db2.gz XKLGNULEBIUVNE-QMMMGPOBSA-N 1 2 214.265 -0.301 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1CCCC2(C1)OCCO2 ZINC000124839650 590092250 /nfs/dbraw/zinc/09/22/50/590092250.db2.gz XKLGNULEBIUVNE-MRVPVSSYSA-N 1 2 214.265 -0.301 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CCCC2(C1)OCCO2 ZINC000124839650 590092248 /nfs/dbraw/zinc/09/22/48/590092248.db2.gz XKLGNULEBIUVNE-MRVPVSSYSA-N 1 2 214.265 -0.301 20 0 BBADLO CONC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000125068417 590116823 /nfs/dbraw/zinc/11/68/23/590116823.db2.gz UHYXBGVNZKNRGX-DTWKUNHWSA-N 1 2 231.296 -0.044 20 0 BBADLO CONC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000125068645 590117056 /nfs/dbraw/zinc/11/70/56/590117056.db2.gz UHYXBGVNZKNRGX-RKDXNWHRSA-N 1 2 231.296 -0.044 20 0 BBADLO CONC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000125068844 590116665 /nfs/dbraw/zinc/11/66/65/590116665.db2.gz UHYXBGVNZKNRGX-IUCAKERBSA-N 1 2 231.296 -0.044 20 0 BBADLO CONC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000125069053 590116998 /nfs/dbraw/zinc/11/69/98/590116998.db2.gz UHYXBGVNZKNRGX-BDAKNGLRSA-N 1 2 231.296 -0.044 20 0 BBADLO C[C@@H](CNC(=O)NCCCO)[NH+]1CCOCC1 ZINC000125075834 386755568 /nfs/dbraw/zinc/75/55/68/386755568.db2.gz CUNHVIFRZWAMEC-JTQLQIEISA-N 1 2 245.323 -0.611 20 0 BBADLO C[C@H](CNC(=O)NCCCO)[NH+]1CCOCC1 ZINC000125076007 176674316 /nfs/dbraw/zinc/67/43/16/176674316.db2.gz CUNHVIFRZWAMEC-SNVBAGLBSA-N 1 2 245.323 -0.611 20 0 BBADLO COCC[N@@H+](CCO)Cc1nonc1C ZINC000125224691 590157352 /nfs/dbraw/zinc/15/73/52/590157352.db2.gz LCRHKEFHYJADGY-UHFFFAOYSA-N 1 2 215.253 -0.181 20 0 BBADLO COCC[N@H+](CCO)Cc1nonc1C ZINC000125224691 590157350 /nfs/dbraw/zinc/15/73/50/590157350.db2.gz LCRHKEFHYJADGY-UHFFFAOYSA-N 1 2 215.253 -0.181 20 0 BBADLO O=C(CN1CC[NH2+]CC1=O)Nc1cccc(O)c1 ZINC000125280939 387649469 /nfs/dbraw/zinc/64/94/69/387649469.db2.gz HFMRWJKFFKWGBG-UHFFFAOYSA-N 1 2 249.270 -0.238 20 0 BBADLO O=C(CN1CC[NH2+]CC1=O)Nc1ccc(O)cc1 ZINC000125285737 324637461 /nfs/dbraw/zinc/63/74/61/324637461.db2.gz XWYJXDQJDDZWMS-UHFFFAOYSA-N 1 2 249.270 -0.238 20 0 BBADLO COC(=O)CNC(=O)CCCn1cc[nH+]c1 ZINC000125310200 371317589 /nfs/dbraw/zinc/31/75/89/371317589.db2.gz SUUZCQWAKVGNLZ-UHFFFAOYSA-N 1 2 225.248 -0.048 20 0 BBADLO COC(=O)[C@@H]1C[N@@H+](C[C@H](C)O)CCO1 ZINC000125353913 386241401 /nfs/dbraw/zinc/24/14/01/386241401.db2.gz OMZRGJKWPMGOMV-YUMQZZPRSA-N 1 2 203.238 -0.759 20 0 BBADLO COC(=O)[C@@H]1C[N@H+](C[C@H](C)O)CCO1 ZINC000125353913 386241395 /nfs/dbraw/zinc/24/13/95/386241395.db2.gz OMZRGJKWPMGOMV-YUMQZZPRSA-N 1 2 203.238 -0.759 20 0 BBADLO COC(=O)[C@@H]1C[N@@H+](C[C@@H](C)O)CCO1 ZINC000125354149 386242118 /nfs/dbraw/zinc/24/21/18/386242118.db2.gz OMZRGJKWPMGOMV-SFYZADRCSA-N 1 2 203.238 -0.759 20 0 BBADLO COC(=O)[C@@H]1C[N@H+](C[C@@H](C)O)CCO1 ZINC000125354149 386242115 /nfs/dbraw/zinc/24/21/15/386242115.db2.gz OMZRGJKWPMGOMV-SFYZADRCSA-N 1 2 203.238 -0.759 20 0 BBADLO CS[C@@H](C)CNC(=O)CN1CC[NH2+]CC1=O ZINC000125428886 387656905 /nfs/dbraw/zinc/65/69/05/387656905.db2.gz NQJCWVIBZNMXAX-QMMMGPOBSA-N 1 2 245.348 -0.714 20 0 BBADLO CS[C@H](C)CNC(=O)CN1CC[NH2+]CC1=O ZINC000125429094 387656576 /nfs/dbraw/zinc/65/65/76/387656576.db2.gz NQJCWVIBZNMXAX-MRVPVSSYSA-N 1 2 245.348 -0.714 20 0 BBADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCNC(=O)CC1 ZINC000125651031 387664250 /nfs/dbraw/zinc/66/42/50/387664250.db2.gz XWXIVMRWTJYOFQ-QMMMGPOBSA-N 1 2 225.292 -0.525 20 0 BBADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCNC(=O)CC1 ZINC000125651031 387664241 /nfs/dbraw/zinc/66/42/41/387664241.db2.gz XWXIVMRWTJYOFQ-QMMMGPOBSA-N 1 2 225.292 -0.525 20 0 BBADLO C[C@H](C(=O)NC1CC1)[N@H+]1CCNC(=O)CC1 ZINC000125651230 176569815 /nfs/dbraw/zinc/56/98/15/176569815.db2.gz XWXIVMRWTJYOFQ-MRVPVSSYSA-N 1 2 225.292 -0.525 20 0 BBADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCNC(=O)CC1 ZINC000125651230 176569813 /nfs/dbraw/zinc/56/98/13/176569813.db2.gz XWXIVMRWTJYOFQ-MRVPVSSYSA-N 1 2 225.292 -0.525 20 0 BBADLO CC(C)CNC(=O)[C@@H](C)[N@H+]1CCNC(=O)CC1 ZINC000125663419 358542995 /nfs/dbraw/zinc/54/29/95/358542995.db2.gz JZGMMYWUINMHBK-SNVBAGLBSA-N 1 2 241.335 -0.031 20 0 BBADLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCNC(=O)CC1 ZINC000125663419 358542991 /nfs/dbraw/zinc/54/29/91/358542991.db2.gz JZGMMYWUINMHBK-SNVBAGLBSA-N 1 2 241.335 -0.031 20 0 BBADLO CC(C)CNC(=O)[C@H](C)[N@H+]1CCNC(=O)CC1 ZINC000125663649 358543434 /nfs/dbraw/zinc/54/34/34/358543434.db2.gz JZGMMYWUINMHBK-JTQLQIEISA-N 1 2 241.335 -0.031 20 0 BBADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1CCNC(=O)CC1 ZINC000125663649 358543433 /nfs/dbraw/zinc/54/34/33/358543433.db2.gz JZGMMYWUINMHBK-JTQLQIEISA-N 1 2 241.335 -0.031 20 0 BBADLO CCCNC(=O)[C@@H](C)[N@H+]1CCNC(=O)CC1 ZINC000125664382 169241256 /nfs/dbraw/zinc/24/12/56/169241256.db2.gz HKUFTLNPUOSBCR-SECBINFHSA-N 1 2 227.308 -0.277 20 0 BBADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCNC(=O)CC1 ZINC000125664382 169241255 /nfs/dbraw/zinc/24/12/55/169241255.db2.gz HKUFTLNPUOSBCR-SECBINFHSA-N 1 2 227.308 -0.277 20 0 BBADLO CCCNC(=O)[C@H](C)[N@H+]1CCNC(=O)CC1 ZINC000125664616 169246066 /nfs/dbraw/zinc/24/60/66/169246066.db2.gz HKUFTLNPUOSBCR-VIFPVBQESA-N 1 2 227.308 -0.277 20 0 BBADLO CCCNC(=O)[C@H](C)[N@@H+]1CCNC(=O)CC1 ZINC000125664616 169246064 /nfs/dbraw/zinc/24/60/64/169246064.db2.gz HKUFTLNPUOSBCR-VIFPVBQESA-N 1 2 227.308 -0.277 20 0 BBADLO CC(C)[N@@H+](CC(N)=O)CC(=O)N(C)C1CC1 ZINC000125686481 386868305 /nfs/dbraw/zinc/86/83/05/386868305.db2.gz GEIYBFVLBZXXFM-UHFFFAOYSA-N 1 2 227.308 -0.197 20 0 BBADLO CC(C)[N@H+](CC(N)=O)CC(=O)N(C)C1CC1 ZINC000125686481 386868302 /nfs/dbraw/zinc/86/83/02/386868302.db2.gz GEIYBFVLBZXXFM-UHFFFAOYSA-N 1 2 227.308 -0.197 20 0 BBADLO NC(=O)[C@H]1C[N@@H+](Cc2cccnc2)CCO1 ZINC000125686623 181284011 /nfs/dbraw/zinc/28/40/11/181284011.db2.gz UKQSDAABKSFATP-SNVBAGLBSA-N 1 2 221.260 -0.232 20 0 BBADLO NC(=O)[C@H]1C[N@H+](Cc2cccnc2)CCO1 ZINC000125686623 181284009 /nfs/dbraw/zinc/28/40/09/181284009.db2.gz UKQSDAABKSFATP-SNVBAGLBSA-N 1 2 221.260 -0.232 20 0 BBADLO O=C1CCC(=O)N1CC[NH+]1CCOCC1 ZINC000125701857 384741287 /nfs/dbraw/zinc/74/12/87/384741287.db2.gz YKDJLSBUJGNSRM-UHFFFAOYSA-N 1 2 212.249 -0.532 20 0 BBADLO CC(=O)CC[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000125750198 590186388 /nfs/dbraw/zinc/18/63/88/590186388.db2.gz YGOUAMDKBUVLKP-QMMMGPOBSA-N 1 2 200.238 -0.848 20 0 BBADLO CC(=O)CC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000125750198 590186386 /nfs/dbraw/zinc/18/63/86/590186386.db2.gz YGOUAMDKBUVLKP-QMMMGPOBSA-N 1 2 200.238 -0.848 20 0 BBADLO CC(=O)CC[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000125750413 590186366 /nfs/dbraw/zinc/18/63/66/590186366.db2.gz YGOUAMDKBUVLKP-MRVPVSSYSA-N 1 2 200.238 -0.848 20 0 BBADLO CC(=O)CC[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000125750413 590186364 /nfs/dbraw/zinc/18/63/64/590186364.db2.gz YGOUAMDKBUVLKP-MRVPVSSYSA-N 1 2 200.238 -0.848 20 0 BBADLO NC(=O)[C@@H]1C[N@@H+](CCc2ccccn2)CCO1 ZINC000125750641 181272364 /nfs/dbraw/zinc/27/23/64/181272364.db2.gz UCOYDVNHRMWRAI-NSHDSACASA-N 1 2 235.287 -0.190 20 0 BBADLO NC(=O)[C@@H]1C[N@H+](CCc2ccccn2)CCO1 ZINC000125750641 181272362 /nfs/dbraw/zinc/27/23/62/181272362.db2.gz UCOYDVNHRMWRAI-NSHDSACASA-N 1 2 235.287 -0.190 20 0 BBADLO CN(C)C(=O)C[N@H+]1CCc2n[nH]cc2C1 ZINC000125783808 172366165 /nfs/dbraw/zinc/36/61/65/172366165.db2.gz FPXPBLBNAFINFX-UHFFFAOYSA-N 1 2 208.265 -0.144 20 0 BBADLO CN(C)C(=O)C[N@@H+]1CCc2n[nH]cc2C1 ZINC000125783808 172366164 /nfs/dbraw/zinc/36/61/64/172366164.db2.gz FPXPBLBNAFINFX-UHFFFAOYSA-N 1 2 208.265 -0.144 20 0 BBADLO C[C@H](NS(C)(=O)=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000125804789 491129221 /nfs/dbraw/zinc/12/92/21/491129221.db2.gz FNRIBXXBHAMJJS-YUMQZZPRSA-N 1 2 222.310 -0.745 20 0 BBADLO C[C@H](NS(C)(=O)=O)[C@@H]1C[N@H+](C)CCO1 ZINC000125804789 491129220 /nfs/dbraw/zinc/12/92/20/491129220.db2.gz FNRIBXXBHAMJJS-YUMQZZPRSA-N 1 2 222.310 -0.745 20 0 BBADLO C[C@@H](NS(C)(=O)=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000125805095 491129214 /nfs/dbraw/zinc/12/92/14/491129214.db2.gz FNRIBXXBHAMJJS-SFYZADRCSA-N 1 2 222.310 -0.745 20 0 BBADLO C[C@@H](NS(C)(=O)=O)[C@@H]1C[N@H+](C)CCO1 ZINC000125805095 491129213 /nfs/dbraw/zinc/12/92/13/491129213.db2.gz FNRIBXXBHAMJJS-SFYZADRCSA-N 1 2 222.310 -0.745 20 0 BBADLO C[C@H](NS(C)(=O)=O)[C@H]1C[N@@H+](C)CCO1 ZINC000125805330 491129218 /nfs/dbraw/zinc/12/92/18/491129218.db2.gz FNRIBXXBHAMJJS-JGVFFNPUSA-N 1 2 222.310 -0.745 20 0 BBADLO C[C@H](NS(C)(=O)=O)[C@H]1C[N@H+](C)CCO1 ZINC000125805330 491129217 /nfs/dbraw/zinc/12/92/17/491129217.db2.gz FNRIBXXBHAMJJS-JGVFFNPUSA-N 1 2 222.310 -0.745 20 0 BBADLO C[C@@H](NS(C)(=O)=O)[C@H]1C[N@@H+](C)CCO1 ZINC000125805567 491129225 /nfs/dbraw/zinc/12/92/25/491129225.db2.gz FNRIBXXBHAMJJS-HTQZYQBOSA-N 1 2 222.310 -0.745 20 0 BBADLO C[C@@H](NS(C)(=O)=O)[C@H]1C[N@H+](C)CCO1 ZINC000125805567 491129224 /nfs/dbraw/zinc/12/92/24/491129224.db2.gz FNRIBXXBHAMJJS-HTQZYQBOSA-N 1 2 222.310 -0.745 20 0 BBADLO CCS(=O)(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000125844989 490465217 /nfs/dbraw/zinc/46/52/17/490465217.db2.gz QAQAEOYNRDVJFI-IUCAKERBSA-N 1 2 236.337 -0.355 20 0 BBADLO CCS(=O)(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000125844989 490465211 /nfs/dbraw/zinc/46/52/11/490465211.db2.gz QAQAEOYNRDVJFI-IUCAKERBSA-N 1 2 236.337 -0.355 20 0 BBADLO CCS(=O)(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000125845160 490464654 /nfs/dbraw/zinc/46/46/54/490464654.db2.gz QAQAEOYNRDVJFI-BDAKNGLRSA-N 1 2 236.337 -0.355 20 0 BBADLO CCS(=O)(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000125845160 490464648 /nfs/dbraw/zinc/46/46/48/490464648.db2.gz QAQAEOYNRDVJFI-BDAKNGLRSA-N 1 2 236.337 -0.355 20 0 BBADLO CCS(=O)(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000125845339 490504457 /nfs/dbraw/zinc/50/44/57/490504457.db2.gz QAQAEOYNRDVJFI-DTWKUNHWSA-N 1 2 236.337 -0.355 20 0 BBADLO CCS(=O)(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000125845339 490504454 /nfs/dbraw/zinc/50/44/54/490504454.db2.gz QAQAEOYNRDVJFI-DTWKUNHWSA-N 1 2 236.337 -0.355 20 0 BBADLO CCS(=O)(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000125845534 490464821 /nfs/dbraw/zinc/46/48/21/490464821.db2.gz QAQAEOYNRDVJFI-RKDXNWHRSA-N 1 2 236.337 -0.355 20 0 BBADLO CCS(=O)(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000125845534 490464818 /nfs/dbraw/zinc/46/48/18/490464818.db2.gz QAQAEOYNRDVJFI-RKDXNWHRSA-N 1 2 236.337 -0.355 20 0 BBADLO C[C@H](NS(=O)(=O)C1CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000125995585 490477837 /nfs/dbraw/zinc/47/78/37/490477837.db2.gz YDVNPYRPXMAIQV-WPRPVWTQSA-N 1 2 248.348 -0.213 20 0 BBADLO C[C@H](NS(=O)(=O)C1CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000125995585 490477833 /nfs/dbraw/zinc/47/78/33/490477833.db2.gz YDVNPYRPXMAIQV-WPRPVWTQSA-N 1 2 248.348 -0.213 20 0 BBADLO C[C@@H](NS(=O)(=O)C1CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000125995814 490477730 /nfs/dbraw/zinc/47/77/30/490477730.db2.gz YDVNPYRPXMAIQV-SCZZXKLOSA-N 1 2 248.348 -0.213 20 0 BBADLO C[C@@H](NS(=O)(=O)C1CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000125995814 490477725 /nfs/dbraw/zinc/47/77/25/490477725.db2.gz YDVNPYRPXMAIQV-SCZZXKLOSA-N 1 2 248.348 -0.213 20 0 BBADLO C[C@H](NS(=O)(=O)C1CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000125996037 490477853 /nfs/dbraw/zinc/47/78/53/490477853.db2.gz YDVNPYRPXMAIQV-WCBMZHEXSA-N 1 2 248.348 -0.213 20 0 BBADLO C[C@H](NS(=O)(=O)C1CC1)[C@H]1C[N@H+](C)CCO1 ZINC000125996037 490477847 /nfs/dbraw/zinc/47/78/47/490477847.db2.gz YDVNPYRPXMAIQV-WCBMZHEXSA-N 1 2 248.348 -0.213 20 0 BBADLO C[C@@H](NS(=O)(=O)C1CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000125996301 490477627 /nfs/dbraw/zinc/47/76/27/490477627.db2.gz YDVNPYRPXMAIQV-PSASIEDQSA-N 1 2 248.348 -0.213 20 0 BBADLO C[C@@H](NS(=O)(=O)C1CC1)[C@H]1C[N@H+](C)CCO1 ZINC000125996301 490477623 /nfs/dbraw/zinc/47/76/23/490477623.db2.gz YDVNPYRPXMAIQV-PSASIEDQSA-N 1 2 248.348 -0.213 20 0 BBADLO C[NH2+]CCCNS(=O)(=O)NCC(F)(F)F ZINC000126174442 411419570 /nfs/dbraw/zinc/41/95/70/411419570.db2.gz GXVBNYRQMVVISJ-UHFFFAOYSA-N 1 2 249.258 -0.418 20 0 BBADLO O=Cc1cnc(N2CC[NH+](CCO)CC2)nc1 ZINC000126275881 712697573 /nfs/dbraw/zinc/69/75/73/712697573.db2.gz CTTZKFWSHRQECM-UHFFFAOYSA-N 1 2 236.275 -0.597 20 0 BBADLO C[NH+](C)CC(C)(C)CNC(=O)c1nc(=O)[nH][nH]1 ZINC000126356434 343889999 /nfs/dbraw/zinc/88/99/99/343889999.db2.gz UTZMBYDTFHBHPJ-UHFFFAOYSA-N 1 2 241.295 -0.584 20 0 BBADLO CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000126493311 344180353 /nfs/dbraw/zinc/18/03/53/344180353.db2.gz AEYUUXJIZKYPEG-VIFPVBQESA-N 1 2 213.281 -0.268 20 0 BBADLO CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000126493586 173285404 /nfs/dbraw/zinc/28/54/04/173285404.db2.gz AEYUUXJIZKYPEG-SECBINFHSA-N 1 2 213.281 -0.268 20 0 BBADLO COC[C@H](O)C[NH2+]C(C)(C)C(=O)OC ZINC000126562797 384781662 /nfs/dbraw/zinc/78/16/62/384781662.db2.gz MUXKPSGYMINGHC-SSDOTTSWSA-N 1 2 205.254 -0.465 20 0 BBADLO CCOC(=O)C(C)(C)[NH2+]C[C@@H](O)COC ZINC000126563510 324704039 /nfs/dbraw/zinc/70/40/39/324704039.db2.gz YSUBWIHOGYFBDG-MRVPVSSYSA-N 1 2 219.281 -0.075 20 0 BBADLO CON(C)C(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000126694586 590417604 /nfs/dbraw/zinc/41/76/04/590417604.db2.gz IZCOULMIPKSXQB-VXJOIVPMSA-N 1 2 236.337 -0.295 20 0 BBADLO CON(C)C(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000126694586 590417602 /nfs/dbraw/zinc/41/76/02/590417602.db2.gz IZCOULMIPKSXQB-VXJOIVPMSA-N 1 2 236.337 -0.295 20 0 BBADLO CON(C)C(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000126694831 590417790 /nfs/dbraw/zinc/41/77/90/590417790.db2.gz IZCOULMIPKSXQB-ANRSDYALSA-N 1 2 236.337 -0.295 20 0 BBADLO CON(C)C(=O)C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000126694831 590417789 /nfs/dbraw/zinc/41/77/89/590417789.db2.gz IZCOULMIPKSXQB-ANRSDYALSA-N 1 2 236.337 -0.295 20 0 BBADLO CON(C)C(=O)C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000126695065 590418244 /nfs/dbraw/zinc/41/82/44/590418244.db2.gz IZCOULMIPKSXQB-AYVTZFPOSA-N 1 2 236.337 -0.295 20 0 BBADLO CON(C)C(=O)C[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000126695065 590418242 /nfs/dbraw/zinc/41/82/42/590418242.db2.gz IZCOULMIPKSXQB-AYVTZFPOSA-N 1 2 236.337 -0.295 20 0 BBADLO CON(C)C(=O)C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000126695274 590417655 /nfs/dbraw/zinc/41/76/55/590417655.db2.gz IZCOULMIPKSXQB-GLEZIHRCSA-N 1 2 236.337 -0.295 20 0 BBADLO CON(C)C(=O)C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000126695274 590417651 /nfs/dbraw/zinc/41/76/51/590417651.db2.gz IZCOULMIPKSXQB-GLEZIHRCSA-N 1 2 236.337 -0.295 20 0 BBADLO CN(CC[NH+]1CCOCC1)[C@@H](C[NH3+])C1CC1 ZINC000126729012 387050437 /nfs/dbraw/zinc/05/04/37/387050437.db2.gz MCHKXIOZYOOHRJ-LBPRGKRZSA-N 1 2 227.352 -0.012 20 0 BBADLO C[N@@H+](CCN1CCOCC1)[C@@H](C[NH3+])C1CC1 ZINC000126729012 387050430 /nfs/dbraw/zinc/05/04/30/387050430.db2.gz MCHKXIOZYOOHRJ-LBPRGKRZSA-N 1 2 227.352 -0.012 20 0 BBADLO CN(CC[NH+]1CCOCC1)[C@H](C[NH3+])C1CC1 ZINC000126729203 387050130 /nfs/dbraw/zinc/05/01/30/387050130.db2.gz MCHKXIOZYOOHRJ-GFCCVEGCSA-N 1 2 227.352 -0.012 20 0 BBADLO C[N@@H+](CCN1CCOCC1)[C@H](C[NH3+])C1CC1 ZINC000126729203 387050124 /nfs/dbraw/zinc/05/01/24/387050124.db2.gz MCHKXIOZYOOHRJ-GFCCVEGCSA-N 1 2 227.352 -0.012 20 0 BBADLO COC(=O)C[NH+]1CCC(OCCO)CC1 ZINC000126897595 384829317 /nfs/dbraw/zinc/82/93/17/384829317.db2.gz UGQZIZRAOZGESO-UHFFFAOYSA-N 1 2 217.265 -0.367 20 0 BBADLO C[C@H](NC(=O)c1cnn[nH]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000127145973 490537118 /nfs/dbraw/zinc/53/71/18/490537118.db2.gz ZJTVPLRIEGHHHQ-CBAPKCEASA-N 1 2 239.279 -0.746 20 0 BBADLO C[C@H](NC(=O)c1cnn[nH]1)[C@@H]1C[N@H+](C)CCO1 ZINC000127145973 490537113 /nfs/dbraw/zinc/53/71/13/490537113.db2.gz ZJTVPLRIEGHHHQ-CBAPKCEASA-N 1 2 239.279 -0.746 20 0 BBADLO C[C@H](NC(=O)c1cn[nH]n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000127145973 490537109 /nfs/dbraw/zinc/53/71/09/490537109.db2.gz ZJTVPLRIEGHHHQ-CBAPKCEASA-N 1 2 239.279 -0.746 20 0 BBADLO C[C@H](NC(=O)c1cn[nH]n1)[C@@H]1C[N@H+](C)CCO1 ZINC000127145973 490537103 /nfs/dbraw/zinc/53/71/03/490537103.db2.gz ZJTVPLRIEGHHHQ-CBAPKCEASA-N 1 2 239.279 -0.746 20 0 BBADLO C[C@@H](NC(=O)c1cnn[nH]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000127146187 490537480 /nfs/dbraw/zinc/53/74/80/490537480.db2.gz ZJTVPLRIEGHHHQ-APPZFPTMSA-N 1 2 239.279 -0.746 20 0 BBADLO C[C@@H](NC(=O)c1cnn[nH]1)[C@@H]1C[N@H+](C)CCO1 ZINC000127146187 490537477 /nfs/dbraw/zinc/53/74/77/490537477.db2.gz ZJTVPLRIEGHHHQ-APPZFPTMSA-N 1 2 239.279 -0.746 20 0 BBADLO C[C@@H](NC(=O)c1cn[nH]n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000127146187 490537471 /nfs/dbraw/zinc/53/74/71/490537471.db2.gz ZJTVPLRIEGHHHQ-APPZFPTMSA-N 1 2 239.279 -0.746 20 0 BBADLO C[C@@H](NC(=O)c1cn[nH]n1)[C@@H]1C[N@H+](C)CCO1 ZINC000127146187 490537469 /nfs/dbraw/zinc/53/74/69/490537469.db2.gz ZJTVPLRIEGHHHQ-APPZFPTMSA-N 1 2 239.279 -0.746 20 0 BBADLO C[C@H](NC(=O)c1cnn[nH]1)[C@H]1C[N@@H+](C)CCO1 ZINC000127146419 490537345 /nfs/dbraw/zinc/53/73/45/490537345.db2.gz ZJTVPLRIEGHHHQ-IONNQARKSA-N 1 2 239.279 -0.746 20 0 BBADLO C[C@H](NC(=O)c1cnn[nH]1)[C@H]1C[N@H+](C)CCO1 ZINC000127146419 490537340 /nfs/dbraw/zinc/53/73/40/490537340.db2.gz ZJTVPLRIEGHHHQ-IONNQARKSA-N 1 2 239.279 -0.746 20 0 BBADLO C[C@H](NC(=O)c1cn[nH]n1)[C@H]1C[N@@H+](C)CCO1 ZINC000127146419 490537334 /nfs/dbraw/zinc/53/73/34/490537334.db2.gz ZJTVPLRIEGHHHQ-IONNQARKSA-N 1 2 239.279 -0.746 20 0 BBADLO C[C@H](NC(=O)c1cn[nH]n1)[C@H]1C[N@H+](C)CCO1 ZINC000127146419 490537331 /nfs/dbraw/zinc/53/73/31/490537331.db2.gz ZJTVPLRIEGHHHQ-IONNQARKSA-N 1 2 239.279 -0.746 20 0 BBADLO C[C@@H](NC(=O)c1cnn[nH]1)[C@H]1C[N@@H+](C)CCO1 ZINC000127146645 490538036 /nfs/dbraw/zinc/53/80/36/490538036.db2.gz ZJTVPLRIEGHHHQ-VXNVDRBHSA-N 1 2 239.279 -0.746 20 0 BBADLO C[C@@H](NC(=O)c1cnn[nH]1)[C@H]1C[N@H+](C)CCO1 ZINC000127146645 490538031 /nfs/dbraw/zinc/53/80/31/490538031.db2.gz ZJTVPLRIEGHHHQ-VXNVDRBHSA-N 1 2 239.279 -0.746 20 0 BBADLO C[C@@H](NC(=O)c1cn[nH]n1)[C@H]1C[N@@H+](C)CCO1 ZINC000127146645 490538029 /nfs/dbraw/zinc/53/80/29/490538029.db2.gz ZJTVPLRIEGHHHQ-VXNVDRBHSA-N 1 2 239.279 -0.746 20 0 BBADLO C[C@@H](NC(=O)c1cn[nH]n1)[C@H]1C[N@H+](C)CCO1 ZINC000127146645 490538023 /nfs/dbraw/zinc/53/80/23/490538023.db2.gz ZJTVPLRIEGHHHQ-VXNVDRBHSA-N 1 2 239.279 -0.746 20 0 BBADLO COCCC[N@@H+](C)Cc1nc(N)nc(N)n1 ZINC000127312574 388720771 /nfs/dbraw/zinc/72/07/71/388720771.db2.gz BIKFGUODUAZLDE-UHFFFAOYSA-N 1 2 226.284 -0.496 20 0 BBADLO COCCC[N@H+](C)Cc1nc(N)nc(N)n1 ZINC000127312574 388720767 /nfs/dbraw/zinc/72/07/67/388720767.db2.gz BIKFGUODUAZLDE-UHFFFAOYSA-N 1 2 226.284 -0.496 20 0 BBADLO COC(=O)C1(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000127315378 384882596 /nfs/dbraw/zinc/88/25/96/384882596.db2.gz ORIBTVFWANOUAZ-UHFFFAOYSA-N 1 2 237.259 -0.011 20 0 BBADLO C[C@H](SCC[NH+]1CCOCC1)C(N)=O ZINC000127391750 177026895 /nfs/dbraw/zinc/02/68/95/177026895.db2.gz KGZNSAXMMUFPRC-QMMMGPOBSA-N 1 2 218.322 -0.074 20 0 BBADLO C[C@@H](SCC[NH+]1CCOCC1)C(N)=O ZINC000127392004 176007791 /nfs/dbraw/zinc/00/77/91/176007791.db2.gz KGZNSAXMMUFPRC-MRVPVSSYSA-N 1 2 218.322 -0.074 20 0 BBADLO CC[C@H]([NH3+])CNS(=O)(=O)NCC(F)(F)F ZINC000127495312 343178513 /nfs/dbraw/zinc/17/85/13/343178513.db2.gz BSDGMKWPPWNUEW-YFKPBYRVSA-N 1 2 249.258 -0.290 20 0 BBADLO CC[C@@H]([NH3+])CNS(=O)(=O)NCC(F)(F)F ZINC000127495535 343178401 /nfs/dbraw/zinc/17/84/01/343178401.db2.gz BSDGMKWPPWNUEW-RXMQYKEDSA-N 1 2 249.258 -0.290 20 0 BBADLO O=C(Cn1cc[nH+]c1)NCC(=O)N1CCCC1 ZINC000127517298 324771689 /nfs/dbraw/zinc/77/16/89/324771689.db2.gz ZQUSREAYNLNLDO-UHFFFAOYSA-N 1 2 236.275 -0.378 20 0 BBADLO NS(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000127530862 387715148 /nfs/dbraw/zinc/71/51/48/387715148.db2.gz DEJXLPFRCDLGGN-SECBINFHSA-N 1 2 243.288 -0.262 20 0 BBADLO NS(=O)(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000127531064 324773024 /nfs/dbraw/zinc/77/30/24/324773024.db2.gz DEJXLPFRCDLGGN-VIFPVBQESA-N 1 2 243.288 -0.262 20 0 BBADLO C[C@@H]1CC[C@H](C(=O)N2CC[NH+](CCO)CC2)O1 ZINC000127834701 191008406 /nfs/dbraw/zinc/00/84/06/191008406.db2.gz LNDINCGJDITFBI-GHMZBOCLSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H]1CC[C@H](C(=O)N2CC[NH+](CCO)CC2)O1 ZINC000127834890 383986214 /nfs/dbraw/zinc/98/62/14/383986214.db2.gz LNDINCGJDITFBI-WDEREUQCSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@@H]1CC[C@@H](C(=O)N2CC[NH+](CCO)CC2)O1 ZINC000127835133 383986229 /nfs/dbraw/zinc/98/62/29/383986229.db2.gz LNDINCGJDITFBI-MNOVXSKESA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H]1CC[C@@H](C(=O)N2CC[NH+](CCO)CC2)O1 ZINC000127835387 383985839 /nfs/dbraw/zinc/98/58/39/383985839.db2.gz LNDINCGJDITFBI-QWRGUYRKSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@@H]1CCN(S(N)(=O)=O)C[C@@H]1n1cc[nH+]c1 ZINC000127839200 176180166 /nfs/dbraw/zinc/18/01/66/176180166.db2.gz CYTFPRZISXVBIE-BDAKNGLRSA-N 1 2 244.320 -0.031 20 0 BBADLO C[C@H]1CCN(S(N)(=O)=O)C[C@@H]1n1cc[nH+]c1 ZINC000127839426 177170555 /nfs/dbraw/zinc/17/05/55/177170555.db2.gz CYTFPRZISXVBIE-IUCAKERBSA-N 1 2 244.320 -0.031 20 0 BBADLO CN(C)c1ncc(C[N@@H+](C)CC(N)=O)cn1 ZINC000127962818 388735765 /nfs/dbraw/zinc/73/57/65/388735765.db2.gz VHSUZGAIQBUUQD-UHFFFAOYSA-N 1 2 223.280 -0.540 20 0 BBADLO CN(C)c1ncc(C[N@H+](C)CC(N)=O)cn1 ZINC000127962818 388735762 /nfs/dbraw/zinc/73/57/62/388735762.db2.gz VHSUZGAIQBUUQD-UHFFFAOYSA-N 1 2 223.280 -0.540 20 0 BBADLO CCC[C@@H](C(=O)NCc1n[nH]c(=O)[nH]1)[NH+](C)C ZINC000128206845 169345633 /nfs/dbraw/zinc/34/56/33/169345633.db2.gz JUGDGRORPABEQG-ZETCQYMHSA-N 1 2 241.295 -0.556 20 0 BBADLO CCC[C@H](C(=O)NCc1n[nH]c(=O)[nH]1)[NH+](C)C ZINC000128207102 385967496 /nfs/dbraw/zinc/96/74/96/385967496.db2.gz JUGDGRORPABEQG-SSDOTTSWSA-N 1 2 241.295 -0.556 20 0 BBADLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](CO)C1 ZINC000128398605 385472521 /nfs/dbraw/zinc/47/25/21/385472521.db2.gz AKYHHOMCVHYQEP-NSHDSACASA-N 1 2 225.292 -0.078 20 0 BBADLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](CO)C1 ZINC000128398605 385472518 /nfs/dbraw/zinc/47/25/18/385472518.db2.gz AKYHHOMCVHYQEP-NSHDSACASA-N 1 2 225.292 -0.078 20 0 BBADLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](CO)C1 ZINC000128398862 385472076 /nfs/dbraw/zinc/47/20/76/385472076.db2.gz AKYHHOMCVHYQEP-LLVKDONJSA-N 1 2 225.292 -0.078 20 0 BBADLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](CO)C1 ZINC000128398862 385472072 /nfs/dbraw/zinc/47/20/72/385472072.db2.gz AKYHHOMCVHYQEP-LLVKDONJSA-N 1 2 225.292 -0.078 20 0 BBADLO CNC(=O)C[N@H+]1CCOC2(CCOCC2)C1 ZINC000128415726 191008516 /nfs/dbraw/zinc/00/85/16/191008516.db2.gz SRYOSEMFEPZHDP-UHFFFAOYSA-N 1 2 228.292 -0.386 20 0 BBADLO CNC(=O)C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000128415726 191008514 /nfs/dbraw/zinc/00/85/14/191008514.db2.gz SRYOSEMFEPZHDP-UHFFFAOYSA-N 1 2 228.292 -0.386 20 0 BBADLO O=C(Nc1ncccc1O)[C@@H]1COCC[NH2+]1 ZINC000128602412 385052940 /nfs/dbraw/zinc/05/29/40/385052940.db2.gz RQDJNWMVZJETDL-ZETCQYMHSA-N 1 2 223.232 -0.286 20 0 BBADLO O=C(Nc1ncccc1O)[C@H]1COCC[NH2+]1 ZINC000128602655 182398979 /nfs/dbraw/zinc/39/89/79/182398979.db2.gz RQDJNWMVZJETDL-SSDOTTSWSA-N 1 2 223.232 -0.286 20 0 BBADLO O=C(Cn1cccn1)NCCc1[nH]cc[nH+]1 ZINC000128726884 182068962 /nfs/dbraw/zinc/06/89/62/182068962.db2.gz JMEDJCBYUSVHEU-UHFFFAOYSA-N 1 2 219.248 -0.035 20 0 BBADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CSC(=O)N1 ZINC000128727553 591155800 /nfs/dbraw/zinc/15/58/00/591155800.db2.gz XMQNGCKPMWAAMT-LURJTMIESA-N 1 2 240.288 -0.107 20 0 BBADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1CSC(=O)N1 ZINC000128727778 591156451 /nfs/dbraw/zinc/15/64/51/591156451.db2.gz XMQNGCKPMWAAMT-ZCFIWIBFSA-N 1 2 240.288 -0.107 20 0 BBADLO CC[C@@H](C)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000128988848 386044509 /nfs/dbraw/zinc/04/45/09/386044509.db2.gz BOMWWVCWYGBZKK-MNOVXSKESA-N 1 2 244.335 -0.158 20 0 BBADLO CC[C@H](C)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000128989029 171252070 /nfs/dbraw/zinc/25/20/70/171252070.db2.gz BOMWWVCWYGBZKK-QWRGUYRKSA-N 1 2 244.335 -0.158 20 0 BBADLO CC[C@@H](C)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000128989242 386044995 /nfs/dbraw/zinc/04/49/95/386044995.db2.gz BOMWWVCWYGBZKK-GHMZBOCLSA-N 1 2 244.335 -0.158 20 0 BBADLO CC[C@H](C)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000128989471 171250531 /nfs/dbraw/zinc/25/05/31/171250531.db2.gz BOMWWVCWYGBZKK-WDEREUQCSA-N 1 2 244.335 -0.158 20 0 BBADLO CC[N@@H+](CCCO)Cc1nc(N)nc(N)n1 ZINC000129168158 387763537 /nfs/dbraw/zinc/76/35/37/387763537.db2.gz LEQQLMPEMAJAIY-UHFFFAOYSA-N 1 2 226.284 -0.760 20 0 BBADLO CC[N@H+](CCCO)Cc1nc(N)nc(N)n1 ZINC000129168158 387763532 /nfs/dbraw/zinc/76/35/32/387763532.db2.gz LEQQLMPEMAJAIY-UHFFFAOYSA-N 1 2 226.284 -0.760 20 0 BBADLO COC(=O)CC[N@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000129182919 384985419 /nfs/dbraw/zinc/98/54/19/384985419.db2.gz PYZKUZCWFBCLJJ-HTQZYQBOSA-N 1 2 231.248 -0.842 20 0 BBADLO COC(=O)CC[N@@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000129182919 384985416 /nfs/dbraw/zinc/98/54/16/384985416.db2.gz PYZKUZCWFBCLJJ-HTQZYQBOSA-N 1 2 231.248 -0.842 20 0 BBADLO COC(=O)CC[N@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000129183133 386062068 /nfs/dbraw/zinc/06/20/68/386062068.db2.gz PYZKUZCWFBCLJJ-JGVFFNPUSA-N 1 2 231.248 -0.842 20 0 BBADLO COC(=O)CC[N@@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000129183133 386062060 /nfs/dbraw/zinc/06/20/60/386062060.db2.gz PYZKUZCWFBCLJJ-JGVFFNPUSA-N 1 2 231.248 -0.842 20 0 BBADLO CC(CO)(CO)NC(=O)CCn1cc[nH+]c1 ZINC000129327658 387767059 /nfs/dbraw/zinc/76/70/59/387767059.db2.gz YFEJQRSKFYEQSA-UHFFFAOYSA-N 1 2 227.264 -0.867 20 0 BBADLO CCS(=O)(=O)CC[N@@H+](C)CCOCCO ZINC000129533070 591321513 /nfs/dbraw/zinc/32/15/13/591321513.db2.gz DBYIHWXQHPRSMC-UHFFFAOYSA-N 1 2 239.337 -0.638 20 0 BBADLO CCS(=O)(=O)CC[N@H+](C)CCOCCO ZINC000129533070 591321511 /nfs/dbraw/zinc/32/15/11/591321511.db2.gz DBYIHWXQHPRSMC-UHFFFAOYSA-N 1 2 239.337 -0.638 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@H+]1CC(=O)N1CCCC1 ZINC000129702666 358594355 /nfs/dbraw/zinc/59/43/55/358594355.db2.gz VFCDMFNZEWKRKU-MNOVXSKESA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CC(=O)N1CCCC1 ZINC000129702666 358594352 /nfs/dbraw/zinc/59/43/52/358594352.db2.gz VFCDMFNZEWKRKU-MNOVXSKESA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H]1CO[C@H](CO)C[N@H+]1CC(=O)N1CCCC1 ZINC000129702850 358594170 /nfs/dbraw/zinc/59/41/70/358594170.db2.gz VFCDMFNZEWKRKU-QWRGUYRKSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H]1CO[C@H](CO)C[N@@H+]1CC(=O)N1CCCC1 ZINC000129702850 358594163 /nfs/dbraw/zinc/59/41/63/358594163.db2.gz VFCDMFNZEWKRKU-QWRGUYRKSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CC(=O)N1CCCC1 ZINC000129703053 358594111 /nfs/dbraw/zinc/59/41/11/358594111.db2.gz VFCDMFNZEWKRKU-GHMZBOCLSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CC(=O)N1CCCC1 ZINC000129703053 358594106 /nfs/dbraw/zinc/59/41/06/358594106.db2.gz VFCDMFNZEWKRKU-GHMZBOCLSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H]1CO[C@@H](CO)C[N@H+]1CC(=O)N1CCCC1 ZINC000129703277 358594303 /nfs/dbraw/zinc/59/43/03/358594303.db2.gz VFCDMFNZEWKRKU-WDEREUQCSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CC(=O)N1CCCC1 ZINC000129703277 358594299 /nfs/dbraw/zinc/59/42/99/358594299.db2.gz VFCDMFNZEWKRKU-WDEREUQCSA-N 1 2 242.319 -0.310 20 0 BBADLO CCN(CC)C(=O)C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000129705766 358594058 /nfs/dbraw/zinc/59/40/58/358594058.db2.gz NVUSOEYVPDTUJN-WDEREUQCSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(CC)C(=O)C[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000129705766 358594055 /nfs/dbraw/zinc/59/40/55/358594055.db2.gz NVUSOEYVPDTUJN-WDEREUQCSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000129705998 358593881 /nfs/dbraw/zinc/59/38/81/358593881.db2.gz NVUSOEYVPDTUJN-QWRGUYRKSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000129705998 358593877 /nfs/dbraw/zinc/59/38/77/358593877.db2.gz NVUSOEYVPDTUJN-QWRGUYRKSA-N 1 2 244.335 -0.064 20 0 BBADLO C[C@@H](CNC(=O)N(C)CCO)[NH+]1CCOCC1 ZINC000129712557 386101013 /nfs/dbraw/zinc/10/10/13/386101013.db2.gz CEBWETUODDDXCD-JTQLQIEISA-N 1 2 245.323 -0.659 20 0 BBADLO C[C@H](CNC(=O)N(C)CCO)[NH+]1CCOCC1 ZINC000129712761 386100845 /nfs/dbraw/zinc/10/08/45/386100845.db2.gz CEBWETUODDDXCD-SNVBAGLBSA-N 1 2 245.323 -0.659 20 0 BBADLO COC[C@H](O)C[NH2+][C@@](C)(C(=O)OC)C1CC1 ZINC000129752661 388869745 /nfs/dbraw/zinc/86/97/45/388869745.db2.gz CUJWYUQTOSSZQJ-MWLCHTKSSA-N 1 2 231.292 -0.075 20 0 BBADLO COC[C@H](O)C[NH2+][C@](C)(C(=O)OC)C1CC1 ZINC000129752864 388870006 /nfs/dbraw/zinc/87/00/06/388870006.db2.gz CUJWYUQTOSSZQJ-KOLCDFICSA-N 1 2 231.292 -0.075 20 0 BBADLO Cn1nccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000129775712 173092989 /nfs/dbraw/zinc/09/29/89/173092989.db2.gz NUGZASXUSLOBIT-UHFFFAOYSA-N 1 2 244.320 -0.644 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@H+]1CC(=O)NC(C)(C)C ZINC000129801086 358598220 /nfs/dbraw/zinc/59/82/20/358598220.db2.gz ANEIUYUSVIPCAX-ZJUUUORDSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CC(=O)NC(C)(C)C ZINC000129801086 358598217 /nfs/dbraw/zinc/59/82/17/358598217.db2.gz ANEIUYUSVIPCAX-ZJUUUORDSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@H]1CO[C@H](CO)C[N@H+]1CC(=O)NC(C)(C)C ZINC000129801276 358597792 /nfs/dbraw/zinc/59/77/92/358597792.db2.gz ANEIUYUSVIPCAX-UWVGGRQHSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@H]1CO[C@H](CO)C[N@@H+]1CC(=O)NC(C)(C)C ZINC000129801276 358597785 /nfs/dbraw/zinc/59/77/85/358597785.db2.gz ANEIUYUSVIPCAX-UWVGGRQHSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CC(=O)NC(C)(C)C ZINC000129801519 358598325 /nfs/dbraw/zinc/59/83/25/358598325.db2.gz ANEIUYUSVIPCAX-NXEZZACHSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CC(=O)NC(C)(C)C ZINC000129801519 358598323 /nfs/dbraw/zinc/59/83/23/358598323.db2.gz ANEIUYUSVIPCAX-NXEZZACHSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@H]1CO[C@@H](CO)C[N@H+]1CC(=O)NC(C)(C)C ZINC000129801735 358598156 /nfs/dbraw/zinc/59/81/56/358598156.db2.gz ANEIUYUSVIPCAX-VHSXEESVSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CC(=O)NC(C)(C)C ZINC000129801735 358598153 /nfs/dbraw/zinc/59/81/53/358598153.db2.gz ANEIUYUSVIPCAX-VHSXEESVSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@H+]1CC(=O)N(C)C1CC1 ZINC000129816696 358599102 /nfs/dbraw/zinc/59/91/02/358599102.db2.gz QONHBPJTUPXLFC-KOLCDFICSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CC(=O)N(C)C1CC1 ZINC000129816696 358599099 /nfs/dbraw/zinc/59/90/99/358599099.db2.gz QONHBPJTUPXLFC-KOLCDFICSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@H]1CO[C@H](CO)C[N@H+]1CC(=O)N(C)C1CC1 ZINC000129816881 358598845 /nfs/dbraw/zinc/59/88/45/358598845.db2.gz QONHBPJTUPXLFC-ONGXEEELSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@H]1CO[C@H](CO)C[N@@H+]1CC(=O)N(C)C1CC1 ZINC000129816881 358598841 /nfs/dbraw/zinc/59/88/41/358598841.db2.gz QONHBPJTUPXLFC-ONGXEEELSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CC(=O)N(C)C1CC1 ZINC000129817073 358599204 /nfs/dbraw/zinc/59/92/04/358599204.db2.gz QONHBPJTUPXLFC-MWLCHTKSSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CC(=O)N(C)C1CC1 ZINC000129817073 358599203 /nfs/dbraw/zinc/59/92/03/358599203.db2.gz QONHBPJTUPXLFC-MWLCHTKSSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@H]1CO[C@@H](CO)C[N@H+]1CC(=O)N(C)C1CC1 ZINC000129817318 358599053 /nfs/dbraw/zinc/59/90/53/358599053.db2.gz QONHBPJTUPXLFC-GXSJLCMTSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CC(=O)N(C)C1CC1 ZINC000129817318 358599047 /nfs/dbraw/zinc/59/90/47/358599047.db2.gz QONHBPJTUPXLFC-GXSJLCMTSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CCO ZINC000129820469 386130494 /nfs/dbraw/zinc/13/04/94/386130494.db2.gz BTHYDGSMTSHTLA-JTQLQIEISA-N 1 2 245.323 -0.659 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CCO ZINC000129820660 386130397 /nfs/dbraw/zinc/13/03/97/386130397.db2.gz BTHYDGSMTSHTLA-SNVBAGLBSA-N 1 2 245.323 -0.659 20 0 BBADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000129826888 358599243 /nfs/dbraw/zinc/59/92/43/358599243.db2.gz PVFJHASZRVJBHB-MNOVXSKESA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000129826888 358599240 /nfs/dbraw/zinc/59/92/40/358599240.db2.gz PVFJHASZRVJBHB-MNOVXSKESA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000129827103 358598871 /nfs/dbraw/zinc/59/88/71/358598871.db2.gz PVFJHASZRVJBHB-QWRGUYRKSA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000129827103 358598868 /nfs/dbraw/zinc/59/88/68/358598868.db2.gz PVFJHASZRVJBHB-QWRGUYRKSA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)N(C)C(=O)C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000129827331 358598980 /nfs/dbraw/zinc/59/89/80/358598980.db2.gz PVFJHASZRVJBHB-GHMZBOCLSA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000129827331 358598978 /nfs/dbraw/zinc/59/89/78/358598978.db2.gz PVFJHASZRVJBHB-GHMZBOCLSA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)N(C)C(=O)C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000129827586 358599211 /nfs/dbraw/zinc/59/92/11/358599211.db2.gz PVFJHASZRVJBHB-WDEREUQCSA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000129827586 358599209 /nfs/dbraw/zinc/59/92/09/358599209.db2.gz PVFJHASZRVJBHB-WDEREUQCSA-N 1 2 244.335 -0.065 20 0 BBADLO Cn1nccc1S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000129869837 410388910 /nfs/dbraw/zinc/38/89/10/410388910.db2.gz PPKPNDOHKNVXNW-UHFFFAOYSA-N 1 2 241.276 -0.378 20 0 BBADLO Cn1nccc1S(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000129870526 357003878 /nfs/dbraw/zinc/00/38/78/357003878.db2.gz GRFJUZXDYKMTJE-UHFFFAOYSA-N 1 2 241.276 -0.378 20 0 BBADLO Cn1nccc1S(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000129870526 357003875 /nfs/dbraw/zinc/00/38/75/357003875.db2.gz GRFJUZXDYKMTJE-UHFFFAOYSA-N 1 2 241.276 -0.378 20 0 BBADLO Cn1ncc2c1nc[nH+]c2NC(C)(CO)CO ZINC000129876073 385196790 /nfs/dbraw/zinc/19/67/90/385196790.db2.gz NWHJBJMXZGKZDM-UHFFFAOYSA-N 1 2 237.263 -0.482 20 0 BBADLO CNC(=O)[C@@H]1C[N@@H+](Cc2cnoc2C)CCO1 ZINC000130165677 325019506 /nfs/dbraw/zinc/01/95/06/325019506.db2.gz JMRCEEPGBMPUNC-JTQLQIEISA-N 1 2 239.275 -0.070 20 0 BBADLO CNC(=O)[C@@H]1C[N@H+](Cc2cnoc2C)CCO1 ZINC000130165677 325019503 /nfs/dbraw/zinc/01/95/03/325019503.db2.gz JMRCEEPGBMPUNC-JTQLQIEISA-N 1 2 239.275 -0.070 20 0 BBADLO CNC(=O)[C@H]1C[N@@H+](Cc2cnoc2C)CCO1 ZINC000130165897 325020445 /nfs/dbraw/zinc/02/04/45/325020445.db2.gz JMRCEEPGBMPUNC-SNVBAGLBSA-N 1 2 239.275 -0.070 20 0 BBADLO CNC(=O)[C@H]1C[N@H+](Cc2cnoc2C)CCO1 ZINC000130165897 325020441 /nfs/dbraw/zinc/02/04/41/325020441.db2.gz JMRCEEPGBMPUNC-SNVBAGLBSA-N 1 2 239.275 -0.070 20 0 BBADLO COC[C@H](Nc1cc[nH+]c(C)n1)C(N)=O ZINC000130185353 591446219 /nfs/dbraw/zinc/44/62/19/591446219.db2.gz ZWRSMCZSFOMVQE-ZETCQYMHSA-N 1 2 210.237 -0.303 20 0 BBADLO COC[C@@H](Nc1cc[nH+]c(C)n1)C(N)=O ZINC000130185574 591447361 /nfs/dbraw/zinc/44/73/61/591447361.db2.gz ZWRSMCZSFOMVQE-SSDOTTSWSA-N 1 2 210.237 -0.303 20 0 BBADLO CCN(C)C(=O)CC[NH+]1CCS(=O)CC1 ZINC000130395884 325048226 /nfs/dbraw/zinc/04/82/26/325048226.db2.gz OCFBJEFOFLSZSE-UHFFFAOYSA-N 1 2 232.349 -0.081 20 0 BBADLO O=C(Cc1ccoc1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000130469402 358627453 /nfs/dbraw/zinc/62/74/53/358627453.db2.gz ILFKYDFYNVIDOD-GFCCVEGCSA-N 1 2 249.314 -0.062 20 0 BBADLO O=C(Cc1ccoc1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000130469607 358627586 /nfs/dbraw/zinc/62/75/86/358627586.db2.gz ILFKYDFYNVIDOD-LBPRGKRZSA-N 1 2 249.314 -0.062 20 0 BBADLO CCN(C)C(=O)CC[N@H+]1CCN(C)C(=O)C1 ZINC000130504084 325058735 /nfs/dbraw/zinc/05/87/35/325058735.db2.gz TWWWFQZCJSXDGH-UHFFFAOYSA-N 1 2 227.308 -0.371 20 0 BBADLO CCN(C)C(=O)CC[N@@H+]1CCN(C)C(=O)C1 ZINC000130504084 325058733 /nfs/dbraw/zinc/05/87/33/325058733.db2.gz TWWWFQZCJSXDGH-UHFFFAOYSA-N 1 2 227.308 -0.371 20 0 BBADLO O[C@@H]1C[N@H+](Cc2cn3ccsc3n2)C[C@@H]1O ZINC000130696779 358639179 /nfs/dbraw/zinc/63/91/79/358639179.db2.gz NOSSXKUDIBLFBL-DTORHVGOSA-N 1 2 239.300 -0.067 20 0 BBADLO O[C@@H]1C[N@@H+](Cc2cn3ccsc3n2)C[C@@H]1O ZINC000130696779 358639175 /nfs/dbraw/zinc/63/91/75/358639175.db2.gz NOSSXKUDIBLFBL-DTORHVGOSA-N 1 2 239.300 -0.067 20 0 BBADLO COC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000130789913 325088178 /nfs/dbraw/zinc/08/81/78/325088178.db2.gz MEPNEJYDRQYGTO-JGVFFNPUSA-N 1 2 214.265 -0.207 20 0 BBADLO COC(=O)C[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000130790114 325087993 /nfs/dbraw/zinc/08/79/93/325087993.db2.gz MEPNEJYDRQYGTO-YUMQZZPRSA-N 1 2 214.265 -0.207 20 0 BBADLO COC(=O)C[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000130790292 325088243 /nfs/dbraw/zinc/08/82/43/325088243.db2.gz MEPNEJYDRQYGTO-HTQZYQBOSA-N 1 2 214.265 -0.207 20 0 BBADLO COC(=O)C[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000130790482 325088385 /nfs/dbraw/zinc/08/83/85/325088385.db2.gz MEPNEJYDRQYGTO-SFYZADRCSA-N 1 2 214.265 -0.207 20 0 BBADLO Cc1nc(CN2C[C@H]3OCC[N@H+](C)[C@@H]3C2)no1 ZINC000131023035 388708824 /nfs/dbraw/zinc/70/88/24/388708824.db2.gz OHOVWWVEYIIDRF-NXEZZACHSA-N 1 2 238.291 -0.107 20 0 BBADLO Cc1nc(CN2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)no1 ZINC000131023035 388708821 /nfs/dbraw/zinc/70/88/21/388708821.db2.gz OHOVWWVEYIIDRF-NXEZZACHSA-N 1 2 238.291 -0.107 20 0 BBADLO Cc1nc(CN2C[C@H]3OCC[N@H+](C)[C@H]3C2)no1 ZINC000131023246 388711926 /nfs/dbraw/zinc/71/19/26/388711926.db2.gz OHOVWWVEYIIDRF-VHSXEESVSA-N 1 2 238.291 -0.107 20 0 BBADLO Cc1nc(CN2C[C@H]3OCC[N@@H+](C)[C@H]3C2)no1 ZINC000131023246 388711923 /nfs/dbraw/zinc/71/19/23/388711923.db2.gz OHOVWWVEYIIDRF-VHSXEESVSA-N 1 2 238.291 -0.107 20 0 BBADLO Cc1c[nH]c(NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000131060734 388731318 /nfs/dbraw/zinc/73/13/18/388731318.db2.gz AFHVDMZNBVVICZ-QMMMGPOBSA-N 1 2 224.264 -0.013 20 0 BBADLO Cc1c[nH]c(NC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000131060734 388731315 /nfs/dbraw/zinc/73/13/15/388731315.db2.gz AFHVDMZNBVVICZ-QMMMGPOBSA-N 1 2 224.264 -0.013 20 0 BBADLO Cc1c[nH]c(NC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000131060929 388731344 /nfs/dbraw/zinc/73/13/44/388731344.db2.gz AFHVDMZNBVVICZ-MRVPVSSYSA-N 1 2 224.264 -0.013 20 0 BBADLO Cc1c[nH]c(NC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC000131060929 388731343 /nfs/dbraw/zinc/73/13/43/388731343.db2.gz AFHVDMZNBVVICZ-MRVPVSSYSA-N 1 2 224.264 -0.013 20 0 BBADLO C[N@H+]1CCO[C@H](CNC(=O)c2ccnnc2)C1 ZINC000131125366 173107162 /nfs/dbraw/zinc/10/71/62/173107162.db2.gz TVDWZTOCIPPXAY-SNVBAGLBSA-N 1 2 236.275 -0.463 20 0 BBADLO C[N@@H+]1CCO[C@H](CNC(=O)c2ccnnc2)C1 ZINC000131125366 173107161 /nfs/dbraw/zinc/10/71/61/173107161.db2.gz TVDWZTOCIPPXAY-SNVBAGLBSA-N 1 2 236.275 -0.463 20 0 BBADLO C[N@H+]1CCO[C@@H](CNC(=O)c2ccnnc2)C1 ZINC000131125561 173103476 /nfs/dbraw/zinc/10/34/76/173103476.db2.gz TVDWZTOCIPPXAY-JTQLQIEISA-N 1 2 236.275 -0.463 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccnnc2)C1 ZINC000131125561 173103472 /nfs/dbraw/zinc/10/34/72/173103472.db2.gz TVDWZTOCIPPXAY-JTQLQIEISA-N 1 2 236.275 -0.463 20 0 BBADLO CNC(=O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000131300833 173272418 /nfs/dbraw/zinc/27/24/18/173272418.db2.gz LREVREHIUCTQQA-UHFFFAOYSA-N 1 2 201.270 -0.682 20 0 BBADLO CNC(=O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000131300833 173272416 /nfs/dbraw/zinc/27/24/16/173272416.db2.gz LREVREHIUCTQQA-UHFFFAOYSA-N 1 2 201.270 -0.682 20 0 BBADLO CCNC(=O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000131308621 170054968 /nfs/dbraw/zinc/05/49/68/170054968.db2.gz UMPJWTSNNFSPEH-UHFFFAOYSA-N 1 2 215.297 -0.292 20 0 BBADLO CCNC(=O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000131308621 170054967 /nfs/dbraw/zinc/05/49/67/170054967.db2.gz UMPJWTSNNFSPEH-UHFFFAOYSA-N 1 2 215.297 -0.292 20 0 BBADLO COc1cc[nH+]cc1NC(=O)Cn1cnnn1 ZINC000131398649 325145114 /nfs/dbraw/zinc/14/51/14/325145114.db2.gz DYOMGIWWWVBKCP-UHFFFAOYSA-N 1 2 234.219 -0.285 20 0 BBADLO CN(C)C(=O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000131426016 172363682 /nfs/dbraw/zinc/36/36/82/172363682.db2.gz FFJCWIBIZQQXCJ-UHFFFAOYSA-N 1 2 215.297 -0.340 20 0 BBADLO CN(C)C(=O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000131426016 172363680 /nfs/dbraw/zinc/36/36/80/172363680.db2.gz FFJCWIBIZQQXCJ-UHFFFAOYSA-N 1 2 215.297 -0.340 20 0 BBADLO COCCN1CC[N@H+]([C@@H](C)COC)CC1=O ZINC000131519608 358680981 /nfs/dbraw/zinc/68/09/81/358680981.db2.gz NAPGITXYQWXMSF-JTQLQIEISA-N 1 2 230.308 -0.188 20 0 BBADLO COCCN1CC[N@@H+]([C@@H](C)COC)CC1=O ZINC000131519608 358680976 /nfs/dbraw/zinc/68/09/76/358680976.db2.gz NAPGITXYQWXMSF-JTQLQIEISA-N 1 2 230.308 -0.188 20 0 BBADLO COCCN1CC[N@H+]([C@H](C)COC)CC1=O ZINC000131519793 358680323 /nfs/dbraw/zinc/68/03/23/358680323.db2.gz NAPGITXYQWXMSF-SNVBAGLBSA-N 1 2 230.308 -0.188 20 0 BBADLO COCCN1CC[N@@H+]([C@H](C)COC)CC1=O ZINC000131519793 358680318 /nfs/dbraw/zinc/68/03/18/358680318.db2.gz NAPGITXYQWXMSF-SNVBAGLBSA-N 1 2 230.308 -0.188 20 0 BBADLO COCCN1CC[N@@H+](C[C@H](C)CO)CC1=O ZINC000131533479 490643903 /nfs/dbraw/zinc/64/39/03/490643903.db2.gz VTBWCCAZIMLJKH-JTQLQIEISA-N 1 2 230.308 -0.595 20 0 BBADLO COCCN1CC[N@H+](C[C@H](C)CO)CC1=O ZINC000131533479 490643899 /nfs/dbraw/zinc/64/38/99/490643899.db2.gz VTBWCCAZIMLJKH-JTQLQIEISA-N 1 2 230.308 -0.595 20 0 BBADLO COCCN1CC[N@@H+](C[C@@H](C)CO)CC1=O ZINC000131533686 490643721 /nfs/dbraw/zinc/64/37/21/490643721.db2.gz VTBWCCAZIMLJKH-SNVBAGLBSA-N 1 2 230.308 -0.595 20 0 BBADLO COCCN1CC[N@H+](C[C@@H](C)CO)CC1=O ZINC000131533686 490643714 /nfs/dbraw/zinc/64/37/14/490643714.db2.gz VTBWCCAZIMLJKH-SNVBAGLBSA-N 1 2 230.308 -0.595 20 0 BBADLO COCCN1CC[N@@H+](C[C@@H]2CCCO2)CC1=O ZINC000131635243 358688209 /nfs/dbraw/zinc/68/82/09/358688209.db2.gz BJUYCDOTFQREIH-NSHDSACASA-N 1 2 242.319 -0.044 20 0 BBADLO COCCN1CC[N@H+](C[C@@H]2CCCO2)CC1=O ZINC000131635243 358688207 /nfs/dbraw/zinc/68/82/07/358688207.db2.gz BJUYCDOTFQREIH-NSHDSACASA-N 1 2 242.319 -0.044 20 0 BBADLO COCCN1CC[N@@H+](C[C@H]2CCCO2)CC1=O ZINC000131635483 358687831 /nfs/dbraw/zinc/68/78/31/358687831.db2.gz BJUYCDOTFQREIH-LLVKDONJSA-N 1 2 242.319 -0.044 20 0 BBADLO COCCN1CC[N@H+](C[C@H]2CCCO2)CC1=O ZINC000131635483 358687827 /nfs/dbraw/zinc/68/78/27/358687827.db2.gz BJUYCDOTFQREIH-LLVKDONJSA-N 1 2 242.319 -0.044 20 0 BBADLO COCCN1CC[N@@H+](CCCCO)CC1=O ZINC000131757921 358692761 /nfs/dbraw/zinc/69/27/61/358692761.db2.gz HBNVYBGHMYXKNJ-UHFFFAOYSA-N 1 2 230.308 -0.451 20 0 BBADLO COCCN1CC[N@H+](CCCCO)CC1=O ZINC000131757921 358692759 /nfs/dbraw/zinc/69/27/59/358692759.db2.gz HBNVYBGHMYXKNJ-UHFFFAOYSA-N 1 2 230.308 -0.451 20 0 BBADLO COC(=O)C[C@@H]1C[N@@H+](CCO)CCO1 ZINC000131864519 344237359 /nfs/dbraw/zinc/23/73/59/344237359.db2.gz JFKWUUSGMPWNST-MRVPVSSYSA-N 1 2 203.238 -0.757 20 0 BBADLO COC(=O)C[C@@H]1C[N@H+](CCO)CCO1 ZINC000131864519 344237356 /nfs/dbraw/zinc/23/73/56/344237356.db2.gz JFKWUUSGMPWNST-MRVPVSSYSA-N 1 2 203.238 -0.757 20 0 BBADLO COC(=O)C[C@H]1C[N@@H+](CCO)CCO1 ZINC000131864716 344237409 /nfs/dbraw/zinc/23/74/09/344237409.db2.gz JFKWUUSGMPWNST-QMMMGPOBSA-N 1 2 203.238 -0.757 20 0 BBADLO COC(=O)C[C@H]1C[N@H+](CCO)CCO1 ZINC000131864716 344237407 /nfs/dbraw/zinc/23/74/07/344237407.db2.gz JFKWUUSGMPWNST-QMMMGPOBSA-N 1 2 203.238 -0.757 20 0 BBADLO CCONC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000131876869 591672905 /nfs/dbraw/zinc/67/29/05/591672905.db2.gz GOKAPCNOZMZKRD-QMMMGPOBSA-N 1 2 217.269 -0.846 20 0 BBADLO CCC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)CCO1 ZINC000132057929 191024452 /nfs/dbraw/zinc/02/44/52/191024452.db2.gz RNVNDRWJRSIEPW-MRVPVSSYSA-N 1 2 229.280 -0.318 20 0 BBADLO CCC[C@@H]1C[N@H+](CC(=O)NC(N)=O)CCO1 ZINC000132057929 191024449 /nfs/dbraw/zinc/02/44/49/191024449.db2.gz RNVNDRWJRSIEPW-MRVPVSSYSA-N 1 2 229.280 -0.318 20 0 BBADLO CCC[C@H]1C[N@@H+](CC(=O)NC(N)=O)CCO1 ZINC000132058145 191024048 /nfs/dbraw/zinc/02/40/48/191024048.db2.gz RNVNDRWJRSIEPW-QMMMGPOBSA-N 1 2 229.280 -0.318 20 0 BBADLO CCC[C@H]1C[N@H+](CC(=O)NC(N)=O)CCO1 ZINC000132058145 191024046 /nfs/dbraw/zinc/02/40/46/191024046.db2.gz RNVNDRWJRSIEPW-QMMMGPOBSA-N 1 2 229.280 -0.318 20 0 BBADLO COC(=O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000132089064 358705907 /nfs/dbraw/zinc/70/59/07/358705907.db2.gz KMSYEJZJKDLSGW-UHFFFAOYSA-N 1 2 217.269 -0.638 20 0 BBADLO COC(=O)C[N@H+](C)CCNC(=O)N(C)C ZINC000132089064 358705906 /nfs/dbraw/zinc/70/59/06/358705906.db2.gz KMSYEJZJKDLSGW-UHFFFAOYSA-N 1 2 217.269 -0.638 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000132095043 371752329 /nfs/dbraw/zinc/75/23/29/371752329.db2.gz HFWVWXFDAAJQOQ-HRDYMLBCSA-N 1 2 243.307 -0.962 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000132095043 371752325 /nfs/dbraw/zinc/75/23/25/371752325.db2.gz HFWVWXFDAAJQOQ-HRDYMLBCSA-N 1 2 243.307 -0.962 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000132095273 371752728 /nfs/dbraw/zinc/75/27/28/371752728.db2.gz HFWVWXFDAAJQOQ-VGMNWLOBSA-N 1 2 243.307 -0.962 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000132095273 371752724 /nfs/dbraw/zinc/75/27/24/371752724.db2.gz HFWVWXFDAAJQOQ-VGMNWLOBSA-N 1 2 243.307 -0.962 20 0 BBADLO CNC(=O)C[N@H+]1CCN(C)C(=O)C1(C)C ZINC000132375725 325212999 /nfs/dbraw/zinc/21/29/99/325212999.db2.gz CRXMDNDXMLAWMR-UHFFFAOYSA-N 1 2 213.281 -0.715 20 0 BBADLO CNC(=O)C[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000132375725 325212997 /nfs/dbraw/zinc/21/29/97/325212997.db2.gz CRXMDNDXMLAWMR-UHFFFAOYSA-N 1 2 213.281 -0.715 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)N(CCO)C2CC2)C1 ZINC000132397651 173105637 /nfs/dbraw/zinc/10/56/37/173105637.db2.gz CFZKPLVRALTAGY-JTQLQIEISA-N 1 2 228.292 -0.700 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)N(CCO)C2CC2)C1 ZINC000132397651 173105635 /nfs/dbraw/zinc/10/56/35/173105635.db2.gz CFZKPLVRALTAGY-JTQLQIEISA-N 1 2 228.292 -0.700 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)N(CCO)C2CC2)C1 ZINC000132397848 173099553 /nfs/dbraw/zinc/09/95/53/173099553.db2.gz CFZKPLVRALTAGY-SNVBAGLBSA-N 1 2 228.292 -0.700 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)N(CCO)C2CC2)C1 ZINC000132397848 173099551 /nfs/dbraw/zinc/09/95/51/173099551.db2.gz CFZKPLVRALTAGY-SNVBAGLBSA-N 1 2 228.292 -0.700 20 0 BBADLO CCNC(=O)N1CC[NH+](CCOCCO)CC1 ZINC000132405046 358722498 /nfs/dbraw/zinc/72/24/98/358722498.db2.gz SEZJMSPGFSMEGV-UHFFFAOYSA-N 1 2 245.323 -0.658 20 0 BBADLO CCOCC[N@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000132436567 344301831 /nfs/dbraw/zinc/30/18/31/344301831.db2.gz HMYFAYZCVIQKCU-RKDXNWHRSA-N 1 2 217.265 -0.369 20 0 BBADLO CCOCC[N@@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000132436567 344301829 /nfs/dbraw/zinc/30/18/29/344301829.db2.gz HMYFAYZCVIQKCU-RKDXNWHRSA-N 1 2 217.265 -0.369 20 0 BBADLO CCOCC[N@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000132436755 344301592 /nfs/dbraw/zinc/30/15/92/344301592.db2.gz HMYFAYZCVIQKCU-DTWKUNHWSA-N 1 2 217.265 -0.369 20 0 BBADLO CCOCC[N@@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000132436755 344301591 /nfs/dbraw/zinc/30/15/91/344301591.db2.gz HMYFAYZCVIQKCU-DTWKUNHWSA-N 1 2 217.265 -0.369 20 0 BBADLO CCC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC)CCO1 ZINC000132444462 191033212 /nfs/dbraw/zinc/03/32/12/191033212.db2.gz QIDWQWQCFDWULC-SECBINFHSA-N 1 2 243.307 -0.057 20 0 BBADLO CCC[C@@H]1C[N@H+](CC(=O)NC(=O)NC)CCO1 ZINC000132444462 191033211 /nfs/dbraw/zinc/03/32/11/191033211.db2.gz QIDWQWQCFDWULC-SECBINFHSA-N 1 2 243.307 -0.057 20 0 BBADLO CCC[C@H]1C[N@@H+](CC(=O)NC(=O)NC)CCO1 ZINC000132444639 191033285 /nfs/dbraw/zinc/03/32/85/191033285.db2.gz QIDWQWQCFDWULC-VIFPVBQESA-N 1 2 243.307 -0.057 20 0 BBADLO CCC[C@H]1C[N@H+](CC(=O)NC(=O)NC)CCO1 ZINC000132444639 191033283 /nfs/dbraw/zinc/03/32/83/191033283.db2.gz QIDWQWQCFDWULC-VIFPVBQESA-N 1 2 243.307 -0.057 20 0 BBADLO Cn1cnn(C[N@@H+](C)C[C@@H]2CCCOC2)c1=O ZINC000132518607 591714677 /nfs/dbraw/zinc/71/46/77/591714677.db2.gz SGBYYVBCIBHCGJ-JTQLQIEISA-N 1 2 240.307 -0.102 20 0 BBADLO Cn1cnn(C[N@H+](C)C[C@@H]2CCCOC2)c1=O ZINC000132518607 591714673 /nfs/dbraw/zinc/71/46/73/591714673.db2.gz SGBYYVBCIBHCGJ-JTQLQIEISA-N 1 2 240.307 -0.102 20 0 BBADLO Cn1cnn(C[N@@H+](C)C[C@H]2CCCOC2)c1=O ZINC000132518802 591714973 /nfs/dbraw/zinc/71/49/73/591714973.db2.gz SGBYYVBCIBHCGJ-SNVBAGLBSA-N 1 2 240.307 -0.102 20 0 BBADLO Cn1cnn(C[N@H+](C)C[C@H]2CCCOC2)c1=O ZINC000132518802 591714971 /nfs/dbraw/zinc/71/49/71/591714971.db2.gz SGBYYVBCIBHCGJ-SNVBAGLBSA-N 1 2 240.307 -0.102 20 0 BBADLO CN(C)C(=O)C[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000132626428 325231028 /nfs/dbraw/zinc/23/10/28/325231028.db2.gz CISVAUUXDPNNOB-UWVGGRQHSA-N 1 2 239.319 -0.182 20 0 BBADLO CN(C)C(=O)C[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000132626428 325231025 /nfs/dbraw/zinc/23/10/25/325231025.db2.gz CISVAUUXDPNNOB-UWVGGRQHSA-N 1 2 239.319 -0.182 20 0 BBADLO CN(C)C(=O)C[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000132626641 325230858 /nfs/dbraw/zinc/23/08/58/325230858.db2.gz CISVAUUXDPNNOB-ZJUUUORDSA-N 1 2 239.319 -0.182 20 0 BBADLO CN(C)C(=O)C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000132626641 325230856 /nfs/dbraw/zinc/23/08/56/325230856.db2.gz CISVAUUXDPNNOB-ZJUUUORDSA-N 1 2 239.319 -0.182 20 0 BBADLO CC1(C(=O)NC[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000132702112 398341034 /nfs/dbraw/zinc/34/10/34/398341034.db2.gz BPNHMWYBOPGHRT-JTQLQIEISA-N 1 2 242.319 -0.404 20 0 BBADLO CC1(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000132702276 386248231 /nfs/dbraw/zinc/24/82/31/386248231.db2.gz BPNHMWYBOPGHRT-SNVBAGLBSA-N 1 2 242.319 -0.404 20 0 BBADLO C[C@@H](C[S@](C)=O)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000132703703 711978783 /nfs/dbraw/zinc/97/87/83/711978783.db2.gz GKFHCONDMCZJNO-KOSWAMCASA-N 1 2 232.349 -0.036 20 0 BBADLO C[C@@H](C[S@](C)=O)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000132703703 711978782 /nfs/dbraw/zinc/97/87/82/711978782.db2.gz GKFHCONDMCZJNO-KOSWAMCASA-N 1 2 232.349 -0.036 20 0 BBADLO C[C@H](C[S@](C)=O)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000132703902 325239241 /nfs/dbraw/zinc/23/92/41/325239241.db2.gz GKFHCONDMCZJNO-CEFVDNRUSA-N 1 2 232.349 -0.036 20 0 BBADLO C[C@H](C[S@](C)=O)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000132703902 325239239 /nfs/dbraw/zinc/23/92/39/325239239.db2.gz GKFHCONDMCZJNO-CEFVDNRUSA-N 1 2 232.349 -0.036 20 0 BBADLO C[C@@H](C[S@@](C)=O)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000132704104 711978756 /nfs/dbraw/zinc/97/87/56/711978756.db2.gz GKFHCONDMCZJNO-UTEYVOQOSA-N 1 2 232.349 -0.036 20 0 BBADLO C[C@@H](C[S@@](C)=O)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000132704104 711978755 /nfs/dbraw/zinc/97/87/55/711978755.db2.gz GKFHCONDMCZJNO-UTEYVOQOSA-N 1 2 232.349 -0.036 20 0 BBADLO C[C@H](C[S@@](C)=O)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000132704231 345340046 /nfs/dbraw/zinc/34/00/46/345340046.db2.gz GKFHCONDMCZJNO-OLBFVZFUSA-N 1 2 232.349 -0.036 20 0 BBADLO C[C@H](C[S@@](C)=O)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000132704231 345340045 /nfs/dbraw/zinc/34/00/45/345340045.db2.gz GKFHCONDMCZJNO-OLBFVZFUSA-N 1 2 232.349 -0.036 20 0 BBADLO COC[C@H]1CCC[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000132718507 591731733 /nfs/dbraw/zinc/73/17/33/591731733.db2.gz HJTLZYXULHJHER-JTQLQIEISA-N 1 2 240.307 -0.102 20 0 BBADLO COC[C@H]1CCC[N@H+](Cn2ncn(C)c2=O)C1 ZINC000132718507 591731731 /nfs/dbraw/zinc/73/17/31/591731731.db2.gz HJTLZYXULHJHER-JTQLQIEISA-N 1 2 240.307 -0.102 20 0 BBADLO COC[C@@H]1CCC[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000132718732 591731754 /nfs/dbraw/zinc/73/17/54/591731754.db2.gz HJTLZYXULHJHER-SNVBAGLBSA-N 1 2 240.307 -0.102 20 0 BBADLO COC[C@@H]1CCC[N@H+](Cn2ncn(C)c2=O)C1 ZINC000132718732 591731752 /nfs/dbraw/zinc/73/17/52/591731752.db2.gz HJTLZYXULHJHER-SNVBAGLBSA-N 1 2 240.307 -0.102 20 0 BBADLO OC[C@@H](O)C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000132731759 711635455 /nfs/dbraw/zinc/63/54/55/711635455.db2.gz QWMIUNXIAIYXDZ-QMMMGPOBSA-N 1 2 242.241 -0.481 20 0 BBADLO OC[C@H](O)C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000132731982 711978723 /nfs/dbraw/zinc/97/87/23/711978723.db2.gz QWMIUNXIAIYXDZ-MRVPVSSYSA-N 1 2 242.241 -0.481 20 0 BBADLO C[C@@H]1C[N@@H+](CCCS(N)(=O)=O)CCO1 ZINC000132790484 344307264 /nfs/dbraw/zinc/30/72/64/344307264.db2.gz BPYYFFYFTSAAQA-MRVPVSSYSA-N 1 2 222.310 -0.614 20 0 BBADLO C[C@@H]1C[N@H+](CCCS(N)(=O)=O)CCO1 ZINC000132790484 344307263 /nfs/dbraw/zinc/30/72/63/344307263.db2.gz BPYYFFYFTSAAQA-MRVPVSSYSA-N 1 2 222.310 -0.614 20 0 BBADLO C[C@H]1C[N@@H+](CCCS(N)(=O)=O)CCO1 ZINC000132790691 344307464 /nfs/dbraw/zinc/30/74/64/344307464.db2.gz BPYYFFYFTSAAQA-QMMMGPOBSA-N 1 2 222.310 -0.614 20 0 BBADLO C[C@H]1C[N@H+](CCCS(N)(=O)=O)CCO1 ZINC000132790691 344307463 /nfs/dbraw/zinc/30/74/63/344307463.db2.gz BPYYFFYFTSAAQA-QMMMGPOBSA-N 1 2 222.310 -0.614 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCCS(N)(=O)=O ZINC000132792296 344307369 /nfs/dbraw/zinc/30/73/69/344307369.db2.gz YJAMCGYCXUBEQE-MRVPVSSYSA-N 1 2 222.310 -0.614 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCCS(N)(=O)=O ZINC000132792296 344307366 /nfs/dbraw/zinc/30/73/66/344307366.db2.gz YJAMCGYCXUBEQE-MRVPVSSYSA-N 1 2 222.310 -0.614 20 0 BBADLO C[C@@H]1C[C@H](C(=O)N2CC[NH+](CCO)CC2)CO1 ZINC000132893237 398308473 /nfs/dbraw/zinc/30/84/73/398308473.db2.gz MTPRGYUJPPACQB-MNOVXSKESA-N 1 2 242.319 -0.452 20 0 BBADLO C[C@H]1C[C@H](C(=O)N2CC[NH+](CCO)CC2)CO1 ZINC000132893428 388372085 /nfs/dbraw/zinc/37/20/85/388372085.db2.gz MTPRGYUJPPACQB-QWRGUYRKSA-N 1 2 242.319 -0.452 20 0 BBADLO C[C@@H]1C[C@@H](C(=O)N2CC[NH+](CCO)CC2)CO1 ZINC000132893624 388371260 /nfs/dbraw/zinc/37/12/60/388371260.db2.gz MTPRGYUJPPACQB-GHMZBOCLSA-N 1 2 242.319 -0.452 20 0 BBADLO C[C@H]1C[C@@H](C(=O)N2CC[NH+](CCO)CC2)CO1 ZINC000132893818 388372398 /nfs/dbraw/zinc/37/23/98/388372398.db2.gz MTPRGYUJPPACQB-WDEREUQCSA-N 1 2 242.319 -0.452 20 0 BBADLO NC(=O)C[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000132974166 325257920 /nfs/dbraw/zinc/25/79/20/325257920.db2.gz BVIASTGMPZTPOF-HTQZYQBOSA-N 1 2 211.265 -0.785 20 0 BBADLO NC(=O)C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000132974166 325257919 /nfs/dbraw/zinc/25/79/19/325257919.db2.gz BVIASTGMPZTPOF-HTQZYQBOSA-N 1 2 211.265 -0.785 20 0 BBADLO NC(=O)C[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000132974380 325257737 /nfs/dbraw/zinc/25/77/37/325257737.db2.gz BVIASTGMPZTPOF-SFYZADRCSA-N 1 2 211.265 -0.785 20 0 BBADLO NC(=O)C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000132974380 325257732 /nfs/dbraw/zinc/25/77/32/325257732.db2.gz BVIASTGMPZTPOF-SFYZADRCSA-N 1 2 211.265 -0.785 20 0 BBADLO NC(=O)C[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000132974602 325257902 /nfs/dbraw/zinc/25/79/02/325257902.db2.gz BVIASTGMPZTPOF-JGVFFNPUSA-N 1 2 211.265 -0.785 20 0 BBADLO NC(=O)C[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000132974602 325257901 /nfs/dbraw/zinc/25/79/01/325257901.db2.gz BVIASTGMPZTPOF-JGVFFNPUSA-N 1 2 211.265 -0.785 20 0 BBADLO NC(=O)C[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000132974785 325257892 /nfs/dbraw/zinc/25/78/92/325257892.db2.gz BVIASTGMPZTPOF-YUMQZZPRSA-N 1 2 211.265 -0.785 20 0 BBADLO NC(=O)C[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000132974785 325257891 /nfs/dbraw/zinc/25/78/91/325257891.db2.gz BVIASTGMPZTPOF-YUMQZZPRSA-N 1 2 211.265 -0.785 20 0 BBADLO COCC[N@@H+](CCCNC(C)=O)CC(=O)OC ZINC000132986034 358741148 /nfs/dbraw/zinc/74/11/48/358741148.db2.gz DRWBALKYDUODSN-UHFFFAOYSA-N 1 2 246.307 -0.366 20 0 BBADLO COCC[N@H+](CCCNC(C)=O)CC(=O)OC ZINC000132986034 358741146 /nfs/dbraw/zinc/74/11/46/358741146.db2.gz DRWBALKYDUODSN-UHFFFAOYSA-N 1 2 246.307 -0.366 20 0 BBADLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccnnc3)C[C@@H]21 ZINC000133041250 358744446 /nfs/dbraw/zinc/74/44/46/358744446.db2.gz XJTCHOALYYHOPD-WDEREUQCSA-N 1 2 248.286 -0.368 20 0 BBADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccnnc3)C[C@@H]21 ZINC000133041250 358744442 /nfs/dbraw/zinc/74/44/42/358744442.db2.gz XJTCHOALYYHOPD-WDEREUQCSA-N 1 2 248.286 -0.368 20 0 BBADLO C[NH+]1CCN(C(=O)c2ccnnc2)CC1 ZINC000133049407 173073261 /nfs/dbraw/zinc/07/32/61/173073261.db2.gz PSAWOQHCHWLWCC-UHFFFAOYSA-N 1 2 206.249 -0.136 20 0 BBADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)CCOCCO ZINC000133074075 191036120 /nfs/dbraw/zinc/03/61/20/191036120.db2.gz YABMMLRCXMSMKS-VIFPVBQESA-N 1 2 239.337 -0.640 20 0 BBADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)CCOCCO ZINC000133074075 191036118 /nfs/dbraw/zinc/03/61/18/191036118.db2.gz YABMMLRCXMSMKS-VIFPVBQESA-N 1 2 239.337 -0.640 20 0 BBADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)CCOCCO ZINC000133074281 345359032 /nfs/dbraw/zinc/35/90/32/345359032.db2.gz YABMMLRCXMSMKS-SECBINFHSA-N 1 2 239.337 -0.640 20 0 BBADLO C[C@H](CS(C)(=O)=O)[N@H+](C)CCOCCO ZINC000133074281 345359029 /nfs/dbraw/zinc/35/90/29/345359029.db2.gz YABMMLRCXMSMKS-SECBINFHSA-N 1 2 239.337 -0.640 20 0 BBADLO CC(C)OC[C@H](O)C[N@H+]1CCN(C)C(=O)C1 ZINC000133085439 371984112 /nfs/dbraw/zinc/98/41/12/371984112.db2.gz OYGSMLOYFQPKCJ-SNVBAGLBSA-N 1 2 230.308 -0.454 20 0 BBADLO CC(C)OC[C@H](O)C[N@@H+]1CCN(C)C(=O)C1 ZINC000133085439 371984106 /nfs/dbraw/zinc/98/41/06/371984106.db2.gz OYGSMLOYFQPKCJ-SNVBAGLBSA-N 1 2 230.308 -0.454 20 0 BBADLO CC(C)OC[C@@H](O)C[N@H+]1CCN(C)C(=O)C1 ZINC000133085634 345359695 /nfs/dbraw/zinc/35/96/95/345359695.db2.gz OYGSMLOYFQPKCJ-JTQLQIEISA-N 1 2 230.308 -0.454 20 0 BBADLO CC(C)OC[C@@H](O)C[N@@H+]1CCN(C)C(=O)C1 ZINC000133085634 345359694 /nfs/dbraw/zinc/35/96/94/345359694.db2.gz OYGSMLOYFQPKCJ-JTQLQIEISA-N 1 2 230.308 -0.454 20 0 BBADLO CC(C)COC[C@H](O)C[N@H+]1CCN(C)C(=O)C1 ZINC000133107889 371990175 /nfs/dbraw/zinc/99/01/75/371990175.db2.gz ATGGMOUTZIQHOU-LLVKDONJSA-N 1 2 244.335 -0.206 20 0 BBADLO CC(C)COC[C@H](O)C[N@@H+]1CCN(C)C(=O)C1 ZINC000133107889 371990172 /nfs/dbraw/zinc/99/01/72/371990172.db2.gz ATGGMOUTZIQHOU-LLVKDONJSA-N 1 2 244.335 -0.206 20 0 BBADLO CC(C)COC[C@@H](O)C[N@H+]1CCN(C)C(=O)C1 ZINC000133108112 371989778 /nfs/dbraw/zinc/98/97/78/371989778.db2.gz ATGGMOUTZIQHOU-NSHDSACASA-N 1 2 244.335 -0.206 20 0 BBADLO CC(C)COC[C@@H](O)C[N@@H+]1CCN(C)C(=O)C1 ZINC000133108112 371989775 /nfs/dbraw/zinc/98/97/75/371989775.db2.gz ATGGMOUTZIQHOU-NSHDSACASA-N 1 2 244.335 -0.206 20 0 BBADLO CC[N@@H+](CC(=O)NCc1n[nH]c(=O)[nH]1)C1CC1 ZINC000133108473 387778836 /nfs/dbraw/zinc/77/88/36/387778836.db2.gz AMGNCWFHVAUGDD-UHFFFAOYSA-N 1 2 239.279 -0.802 20 0 BBADLO CC[N@H+](CC(=O)NCc1n[nH]c(=O)[nH]1)C1CC1 ZINC000133108473 387778832 /nfs/dbraw/zinc/77/88/32/387778832.db2.gz AMGNCWFHVAUGDD-UHFFFAOYSA-N 1 2 239.279 -0.802 20 0 BBADLO CC[C@](C)([NH2+]Cc1nnnn1C(C)C)C(N)=O ZINC000133202151 358747668 /nfs/dbraw/zinc/74/76/68/358747668.db2.gz DSDJWNBKUDYRKA-JTQLQIEISA-N 1 2 240.311 -0.002 20 0 BBADLO CC[C@@](C)([NH2+]Cc1nnnn1C(C)C)C(N)=O ZINC000133202343 358748223 /nfs/dbraw/zinc/74/82/23/358748223.db2.gz DSDJWNBKUDYRKA-SNVBAGLBSA-N 1 2 240.311 -0.002 20 0 BBADLO Nc1nc(NC[C@H](O)CO)[nH+]c2ccccc12 ZINC000133428263 386321276 /nfs/dbraw/zinc/32/12/76/386321276.db2.gz IUPXALXMEHDRLU-ZETCQYMHSA-N 1 2 234.259 -0.023 20 0 BBADLO Nc1nc(NC[C@@H](O)CO)[nH+]c2ccccc12 ZINC000133428468 386323092 /nfs/dbraw/zinc/32/30/92/386323092.db2.gz IUPXALXMEHDRLU-SSDOTTSWSA-N 1 2 234.259 -0.023 20 0 BBADLO CCNC(=O)C[N@@H+](CC)[C@@H]1CCN(C)C1=O ZINC000133428763 170057842 /nfs/dbraw/zinc/05/78/42/170057842.db2.gz UIYACDKDVHEHCN-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CCNC(=O)C[N@H+](CC)[C@@H]1CCN(C)C1=O ZINC000133428763 170057840 /nfs/dbraw/zinc/05/78/40/170057840.db2.gz UIYACDKDVHEHCN-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CCNC(=O)C[N@@H+](CC)[C@H]1CCN(C)C1=O ZINC000133428996 170057428 /nfs/dbraw/zinc/05/74/28/170057428.db2.gz UIYACDKDVHEHCN-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO CCNC(=O)C[N@H+](CC)[C@H]1CCN(C)C1=O ZINC000133428996 170057427 /nfs/dbraw/zinc/05/74/27/170057427.db2.gz UIYACDKDVHEHCN-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO COC[C@H]1CCC[N@H+]1Cn1ncn(C)c1=O ZINC000133438036 591791493 /nfs/dbraw/zinc/79/14/93/591791493.db2.gz NXWBVKQYDOOYQU-SECBINFHSA-N 1 2 226.280 -0.350 20 0 BBADLO COC[C@H]1CCC[N@@H+]1Cn1ncn(C)c1=O ZINC000133438036 591791489 /nfs/dbraw/zinc/79/14/89/591791489.db2.gz NXWBVKQYDOOYQU-SECBINFHSA-N 1 2 226.280 -0.350 20 0 BBADLO COC[C@@H]1CCC[N@H+]1Cn1ncn(C)c1=O ZINC000133438243 591791753 /nfs/dbraw/zinc/79/17/53/591791753.db2.gz NXWBVKQYDOOYQU-VIFPVBQESA-N 1 2 226.280 -0.350 20 0 BBADLO COC[C@@H]1CCC[N@@H+]1Cn1ncn(C)c1=O ZINC000133438243 591791752 /nfs/dbraw/zinc/79/17/52/591791752.db2.gz NXWBVKQYDOOYQU-VIFPVBQESA-N 1 2 226.280 -0.350 20 0 BBADLO Cn1cnn(C[N@@H+](C)C[C@@H]2CCOC2)c1=O ZINC000133453822 591797223 /nfs/dbraw/zinc/79/72/23/591797223.db2.gz XZFQETUPHZYHQU-VIFPVBQESA-N 1 2 226.280 -0.492 20 0 BBADLO Cn1cnn(C[N@H+](C)C[C@@H]2CCOC2)c1=O ZINC000133453822 591797220 /nfs/dbraw/zinc/79/72/20/591797220.db2.gz XZFQETUPHZYHQU-VIFPVBQESA-N 1 2 226.280 -0.492 20 0 BBADLO Cn1cnn(C[N@@H+](C)C[C@H]2CCOC2)c1=O ZINC000133454028 591797234 /nfs/dbraw/zinc/79/72/34/591797234.db2.gz XZFQETUPHZYHQU-SECBINFHSA-N 1 2 226.280 -0.492 20 0 BBADLO Cn1cnn(C[N@H+](C)C[C@H]2CCOC2)c1=O ZINC000133454028 591797232 /nfs/dbraw/zinc/79/72/32/591797232.db2.gz XZFQETUPHZYHQU-SECBINFHSA-N 1 2 226.280 -0.492 20 0 BBADLO Cn1cnn(C[N@H+]2CC[C@]3(CCOC3)C2)c1=O ZINC000133632659 591843230 /nfs/dbraw/zinc/84/32/30/591843230.db2.gz CGAMCRCYODGBCN-NSHDSACASA-N 1 2 238.291 -0.348 20 0 BBADLO Cn1cnn(C[N@@H+]2CC[C@]3(CCOC3)C2)c1=O ZINC000133632659 591843227 /nfs/dbraw/zinc/84/32/27/591843227.db2.gz CGAMCRCYODGBCN-NSHDSACASA-N 1 2 238.291 -0.348 20 0 BBADLO Cn1cnn(C[N@H+]2CC[C@@]3(CCOC3)C2)c1=O ZINC000133632846 591844171 /nfs/dbraw/zinc/84/41/71/591844171.db2.gz CGAMCRCYODGBCN-LLVKDONJSA-N 1 2 238.291 -0.348 20 0 BBADLO Cn1cnn(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1=O ZINC000133632846 591844169 /nfs/dbraw/zinc/84/41/69/591844169.db2.gz CGAMCRCYODGBCN-LLVKDONJSA-N 1 2 238.291 -0.348 20 0 BBADLO Cc1cc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)nn1C ZINC000133634333 178145401 /nfs/dbraw/zinc/14/54/01/178145401.db2.gz CFPHYHWAYKQCNO-VIFPVBQESA-N 1 2 238.291 -0.002 20 0 BBADLO Cc1cc(NC(=O)[C@@H]2C[N@H+](C)CCO2)nn1C ZINC000133634333 178145399 /nfs/dbraw/zinc/14/53/99/178145399.db2.gz CFPHYHWAYKQCNO-VIFPVBQESA-N 1 2 238.291 -0.002 20 0 BBADLO Cc1cc(NC(=O)[C@H]2C[N@@H+](C)CCO2)nn1C ZINC000133634526 178149181 /nfs/dbraw/zinc/14/91/81/178149181.db2.gz CFPHYHWAYKQCNO-SECBINFHSA-N 1 2 238.291 -0.002 20 0 BBADLO Cc1cc(NC(=O)[C@H]2C[N@H+](C)CCO2)nn1C ZINC000133634526 178149180 /nfs/dbraw/zinc/14/91/80/178149180.db2.gz CFPHYHWAYKQCNO-SECBINFHSA-N 1 2 238.291 -0.002 20 0 BBADLO C[C@@H](CO)[N@@H+](C)Cc1nnnn1C1CC1 ZINC000133687817 384262186 /nfs/dbraw/zinc/26/21/86/384262186.db2.gz WLIIOGQFEYPGQG-ZETCQYMHSA-N 1 2 211.269 -0.179 20 0 BBADLO C[C@@H](CO)[N@H+](C)Cc1nnnn1C1CC1 ZINC000133687817 384262182 /nfs/dbraw/zinc/26/21/82/384262182.db2.gz WLIIOGQFEYPGQG-ZETCQYMHSA-N 1 2 211.269 -0.179 20 0 BBADLO C[C@H](CO)[N@@H+](C)Cc1nnnn1C1CC1 ZINC000133688033 345383622 /nfs/dbraw/zinc/38/36/22/345383622.db2.gz WLIIOGQFEYPGQG-SSDOTTSWSA-N 1 2 211.269 -0.179 20 0 BBADLO C[C@H](CO)[N@H+](C)Cc1nnnn1C1CC1 ZINC000133688033 345383621 /nfs/dbraw/zinc/38/36/21/345383621.db2.gz WLIIOGQFEYPGQG-SSDOTTSWSA-N 1 2 211.269 -0.179 20 0 BBADLO C[N@@H+](CC(=O)OCC(N)=O)[C@@H]1CCSC1 ZINC000133689274 591848714 /nfs/dbraw/zinc/84/87/14/591848714.db2.gz OMVYCIYVVBFZBU-SSDOTTSWSA-N 1 2 232.305 -0.548 20 0 BBADLO C[N@H+](CC(=O)OCC(N)=O)[C@@H]1CCSC1 ZINC000133689274 591848712 /nfs/dbraw/zinc/84/87/12/591848712.db2.gz OMVYCIYVVBFZBU-SSDOTTSWSA-N 1 2 232.305 -0.548 20 0 BBADLO C[N@@H+](CC(=O)OCC(N)=O)[C@H]1CCSC1 ZINC000133689492 591848551 /nfs/dbraw/zinc/84/85/51/591848551.db2.gz OMVYCIYVVBFZBU-ZETCQYMHSA-N 1 2 232.305 -0.548 20 0 BBADLO C[N@H+](CC(=O)OCC(N)=O)[C@H]1CCSC1 ZINC000133689492 591848547 /nfs/dbraw/zinc/84/85/47/591848547.db2.gz OMVYCIYVVBFZBU-ZETCQYMHSA-N 1 2 232.305 -0.548 20 0 BBADLO C[C@H](OC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(N)=O ZINC000133723368 591851821 /nfs/dbraw/zinc/85/18/21/591851821.db2.gz CSIXTZIBHPMJOO-JGVFFNPUSA-N 1 2 246.332 -0.159 20 0 BBADLO C[C@H](OC(=O)C[N@H+](C)[C@@H]1CCSC1)C(N)=O ZINC000133723368 591851820 /nfs/dbraw/zinc/85/18/20/591851820.db2.gz CSIXTZIBHPMJOO-JGVFFNPUSA-N 1 2 246.332 -0.159 20 0 BBADLO C[C@@H](OC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(N)=O ZINC000133723560 591851314 /nfs/dbraw/zinc/85/13/14/591851314.db2.gz CSIXTZIBHPMJOO-HTQZYQBOSA-N 1 2 246.332 -0.159 20 0 BBADLO C[C@@H](OC(=O)C[N@H+](C)[C@@H]1CCSC1)C(N)=O ZINC000133723560 591851310 /nfs/dbraw/zinc/85/13/10/591851310.db2.gz CSIXTZIBHPMJOO-HTQZYQBOSA-N 1 2 246.332 -0.159 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000133898380 173287015 /nfs/dbraw/zinc/28/70/15/173287015.db2.gz XFRVKPFJKBWLFR-UHFFFAOYSA-N 1 2 244.295 -0.972 20 0 BBADLO CNC(=O)NC(=O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000133898380 173287014 /nfs/dbraw/zinc/28/70/14/173287014.db2.gz XFRVKPFJKBWLFR-UHFFFAOYSA-N 1 2 244.295 -0.972 20 0 BBADLO CC(C)(C)[N@@H+](CC(N)=O)CC(=O)NC1CC1 ZINC000134004119 398240050 /nfs/dbraw/zinc/24/00/50/398240050.db2.gz ZKKDETPJTZZUEU-UHFFFAOYSA-N 1 2 227.308 -0.149 20 0 BBADLO CC(C)(C)[N@H+](CC(N)=O)CC(=O)NC1CC1 ZINC000134004119 398240047 /nfs/dbraw/zinc/24/00/47/398240047.db2.gz ZKKDETPJTZZUEU-UHFFFAOYSA-N 1 2 227.308 -0.149 20 0 BBADLO NC(=O)C[N@H+]1CCCC2(C1)OCCO2 ZINC000134031633 353151282 /nfs/dbraw/zinc/15/12/82/353151282.db2.gz AKDXETKFQMEAAC-UHFFFAOYSA-N 1 2 200.238 -0.689 20 0 BBADLO NC(=O)C[N@@H+]1CCCC2(C1)OCCO2 ZINC000134031633 353151278 /nfs/dbraw/zinc/15/12/78/353151278.db2.gz AKDXETKFQMEAAC-UHFFFAOYSA-N 1 2 200.238 -0.689 20 0 BBADLO CNC(=O)C[N@H+]1CCCC2(C1)OCCO2 ZINC000134047471 372152123 /nfs/dbraw/zinc/15/21/23/372152123.db2.gz VZRJAQHKATZOAH-UHFFFAOYSA-N 1 2 214.265 -0.429 20 0 BBADLO CNC(=O)C[N@@H+]1CCCC2(C1)OCCO2 ZINC000134047471 372152117 /nfs/dbraw/zinc/15/21/17/372152117.db2.gz VZRJAQHKATZOAH-UHFFFAOYSA-N 1 2 214.265 -0.429 20 0 BBADLO CN(C)C(=O)C[N@H+]1CCCC2(C1)OCCO2 ZINC000134080981 591885258 /nfs/dbraw/zinc/88/52/58/591885258.db2.gz OXIROWKXTXRNDV-UHFFFAOYSA-N 1 2 228.292 -0.087 20 0 BBADLO CN(C)C(=O)C[N@@H+]1CCCC2(C1)OCCO2 ZINC000134080981 591885256 /nfs/dbraw/zinc/88/52/56/591885256.db2.gz OXIROWKXTXRNDV-UHFFFAOYSA-N 1 2 228.292 -0.087 20 0 BBADLO NC(=O)NC(=O)C[N@H+]1CCCC2(C1)OCCO2 ZINC000134107243 591887277 /nfs/dbraw/zinc/88/72/77/591887277.db2.gz LMBGWPVBJONIFT-UHFFFAOYSA-N 1 2 243.263 -0.980 20 0 BBADLO NC(=O)NC(=O)C[N@@H+]1CCCC2(C1)OCCO2 ZINC000134107243 591887275 /nfs/dbraw/zinc/88/72/75/591887275.db2.gz LMBGWPVBJONIFT-UHFFFAOYSA-N 1 2 243.263 -0.980 20 0 BBADLO COC(=O)C[N@@H+](C)CCNC(=O)C(C)C ZINC000134140473 325345255 /nfs/dbraw/zinc/34/52/55/325345255.db2.gz JUBIFTXKVJSLBM-UHFFFAOYSA-N 1 2 216.281 -0.137 20 0 BBADLO COC(=O)C[N@H+](C)CCNC(=O)C(C)C ZINC000134140473 325345253 /nfs/dbraw/zinc/34/52/53/325345253.db2.gz JUBIFTXKVJSLBM-UHFFFAOYSA-N 1 2 216.281 -0.137 20 0 BBADLO CC(C)CONC[C@H](O)C[NH+]1CCOCC1 ZINC000134326792 591919615 /nfs/dbraw/zinc/91/96/15/591919615.db2.gz GPKMYJHBDFNKLD-NSHDSACASA-N 1 2 232.324 -0.143 20 0 BBADLO CC(C)CONC[C@@H](O)C[NH+]1CCOCC1 ZINC000134326816 591920099 /nfs/dbraw/zinc/92/00/99/591920099.db2.gz GPKMYJHBDFNKLD-LLVKDONJSA-N 1 2 232.324 -0.143 20 0 BBADLO O=C(CN1CC[NH2+]CC1)NOCC(F)(F)F ZINC000134361449 591921881 /nfs/dbraw/zinc/92/18/81/591921881.db2.gz RBWMBCXBEUVVBZ-UHFFFAOYSA-N 1 2 241.213 -0.498 20 0 BBADLO O=C(C[C@H]1COCC[NH2+]1)NOCC(F)(F)F ZINC000134361789 591922528 /nfs/dbraw/zinc/92/25/28/591922528.db2.gz MFIOFVAICBIBEW-LURJTMIESA-N 1 2 242.197 -0.025 20 0 BBADLO O=C(C[C@@H]1COCC[NH2+]1)NOCC(F)(F)F ZINC000134361807 591922014 /nfs/dbraw/zinc/92/20/14/591922014.db2.gz MFIOFVAICBIBEW-ZCFIWIBFSA-N 1 2 242.197 -0.025 20 0 BBADLO CN1N=C(C(=O)NCCc2[nH]cc[nH+]2)CCC1=O ZINC000134495450 591931237 /nfs/dbraw/zinc/93/12/37/591931237.db2.gz RUDVATVWEKURSG-UHFFFAOYSA-N 1 2 249.274 -0.323 20 0 BBADLO CCC[N@@H+](CC(=O)NC)[C@@H]1CCS(=O)(=O)C1 ZINC000134671570 169096521 /nfs/dbraw/zinc/09/65/21/169096521.db2.gz FCQMNOTVBOATDU-SECBINFHSA-N 1 2 248.348 -0.369 20 0 BBADLO CCC[N@H+](CC(=O)NC)[C@@H]1CCS(=O)(=O)C1 ZINC000134671570 169096518 /nfs/dbraw/zinc/09/65/18/169096518.db2.gz FCQMNOTVBOATDU-SECBINFHSA-N 1 2 248.348 -0.369 20 0 BBADLO CCC[N@@H+](CC(=O)NC)[C@H]1CCS(=O)(=O)C1 ZINC000134671597 169096307 /nfs/dbraw/zinc/09/63/07/169096307.db2.gz FCQMNOTVBOATDU-VIFPVBQESA-N 1 2 248.348 -0.369 20 0 BBADLO CCC[N@H+](CC(=O)NC)[C@H]1CCS(=O)(=O)C1 ZINC000134671597 169096305 /nfs/dbraw/zinc/09/63/05/169096305.db2.gz FCQMNOTVBOATDU-VIFPVBQESA-N 1 2 248.348 -0.369 20 0 BBADLO CC[N@H+]1CCO[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC000134692460 342877493 /nfs/dbraw/zinc/87/74/93/342877493.db2.gz WNWHUNXTGLUDFA-MRVPVSSYSA-N 1 2 239.279 -0.745 20 0 BBADLO CC[N@@H+]1CCO[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC000134692460 342877492 /nfs/dbraw/zinc/87/74/92/342877492.db2.gz WNWHUNXTGLUDFA-MRVPVSSYSA-N 1 2 239.279 -0.745 20 0 BBADLO CC[N@H+]1CCO[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC000134692460 342877491 /nfs/dbraw/zinc/87/74/91/342877491.db2.gz WNWHUNXTGLUDFA-MRVPVSSYSA-N 1 2 239.279 -0.745 20 0 BBADLO CC[N@@H+]1CCO[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC000134692460 342877489 /nfs/dbraw/zinc/87/74/89/342877489.db2.gz WNWHUNXTGLUDFA-MRVPVSSYSA-N 1 2 239.279 -0.745 20 0 BBADLO CC[N@H+]1CCO[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC000134692484 342877614 /nfs/dbraw/zinc/87/76/14/342877614.db2.gz WNWHUNXTGLUDFA-QMMMGPOBSA-N 1 2 239.279 -0.745 20 0 BBADLO CC[N@@H+]1CCO[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC000134692484 342877613 /nfs/dbraw/zinc/87/76/13/342877613.db2.gz WNWHUNXTGLUDFA-QMMMGPOBSA-N 1 2 239.279 -0.745 20 0 BBADLO CC[N@H+]1CCO[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC000134692484 342877612 /nfs/dbraw/zinc/87/76/12/342877612.db2.gz WNWHUNXTGLUDFA-QMMMGPOBSA-N 1 2 239.279 -0.745 20 0 BBADLO CC[N@@H+]1CCO[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC000134692484 342877611 /nfs/dbraw/zinc/87/76/11/342877611.db2.gz WNWHUNXTGLUDFA-QMMMGPOBSA-N 1 2 239.279 -0.745 20 0 BBADLO O=C(NCCCF)NCC[NH+]1CCOCC1 ZINC000134737165 325374504 /nfs/dbraw/zinc/37/45/04/325374504.db2.gz ZWMUWAHOUSJVAX-UHFFFAOYSA-N 1 2 233.287 -0.023 20 0 BBADLO C[C@H]([NH2+]Cc1cn(C)nn1)C(=O)N1CCCC1 ZINC000134771024 358804718 /nfs/dbraw/zinc/80/47/18/358804718.db2.gz AYVMKLQZPXTCOB-VIFPVBQESA-N 1 2 237.307 -0.084 20 0 BBADLO C[C@@H]([NH2+]Cc1cn(C)nn1)C(=O)N1CCCC1 ZINC000134771047 358805140 /nfs/dbraw/zinc/80/51/40/358805140.db2.gz AYVMKLQZPXTCOB-SECBINFHSA-N 1 2 237.307 -0.084 20 0 BBADLO C[NH+]1CCN(C(=O)c2ncccn2)CC1 ZINC000134790057 591950271 /nfs/dbraw/zinc/95/02/71/591950271.db2.gz DSEODIJVXOSGPN-UHFFFAOYSA-N 1 2 206.249 -0.136 20 0 BBADLO COc1c(N)nc[nH+]c1N1CCNC(=O)C1 ZINC000134809080 343195400 /nfs/dbraw/zinc/19/54/00/343195400.db2.gz RVKGCNLDLBMJMQ-UHFFFAOYSA-N 1 2 223.236 -0.996 20 0 BBADLO COc1c(N)[nH+]cnc1N1CCNC(=O)C1 ZINC000134809080 343195399 /nfs/dbraw/zinc/19/53/99/343195399.db2.gz RVKGCNLDLBMJMQ-UHFFFAOYSA-N 1 2 223.236 -0.996 20 0 BBADLO COc1c(N)nc[nH+]c1NCC(=O)N(C)C ZINC000134822032 343195523 /nfs/dbraw/zinc/19/55/23/343195523.db2.gz HMBREHFMRYVOJF-UHFFFAOYSA-N 1 2 225.252 -0.433 20 0 BBADLO COc1c(N)[nH+]cnc1NCC(=O)N(C)C ZINC000134822032 343195522 /nfs/dbraw/zinc/19/55/22/343195522.db2.gz HMBREHFMRYVOJF-UHFFFAOYSA-N 1 2 225.252 -0.433 20 0 BBADLO CNC(=O)CN(C)c1[nH+]cnc(N)c1OC ZINC000134823268 343195678 /nfs/dbraw/zinc/19/56/78/343195678.db2.gz WNMDVODOKAJEIZ-UHFFFAOYSA-N 1 2 225.252 -0.750 20 0 BBADLO CNC(=O)CN(C)c1nc[nH+]c(N)c1OC ZINC000134823268 343195676 /nfs/dbraw/zinc/19/56/76/343195676.db2.gz WNMDVODOKAJEIZ-UHFFFAOYSA-N 1 2 225.252 -0.750 20 0 BBADLO COc1c(N)nc[nH+]c1N(C)CC(=O)N(C)C ZINC000134823400 343195670 /nfs/dbraw/zinc/19/56/70/343195670.db2.gz MVDVEIPLOANJAX-UHFFFAOYSA-N 1 2 239.279 -0.408 20 0 BBADLO COc1c(N)[nH+]cnc1N(C)CC(=O)N(C)C ZINC000134823400 343195668 /nfs/dbraw/zinc/19/56/68/343195668.db2.gz MVDVEIPLOANJAX-UHFFFAOYSA-N 1 2 239.279 -0.408 20 0 BBADLO COc1c(N)nc[nH+]c1NCCNC(C)=O ZINC000134827731 343195318 /nfs/dbraw/zinc/19/53/18/343195318.db2.gz HLGOYEPRUHABDX-UHFFFAOYSA-N 1 2 225.252 -0.385 20 0 BBADLO COc1c(N)[nH+]cnc1NCCNC(C)=O ZINC000134827731 343195315 /nfs/dbraw/zinc/19/53/15/343195315.db2.gz HLGOYEPRUHABDX-UHFFFAOYSA-N 1 2 225.252 -0.385 20 0 BBADLO CCNC(=O)CNc1[nH+]cnc(N)c1OC ZINC000134828746 488000217 /nfs/dbraw/zinc/00/02/17/488000217.db2.gz HSRHNODBUFFNMG-UHFFFAOYSA-N 1 2 225.252 -0.385 20 0 BBADLO CCNC(=O)CNc1nc[nH+]c(N)c1OC ZINC000134828746 488000211 /nfs/dbraw/zinc/00/02/11/488000211.db2.gz HSRHNODBUFFNMG-UHFFFAOYSA-N 1 2 225.252 -0.385 20 0 BBADLO COc1c(N)nc[nH+]c1NCC(=O)NC1CC1 ZINC000134829062 343195478 /nfs/dbraw/zinc/19/54/78/343195478.db2.gz QVXYWNLTMSIIBS-UHFFFAOYSA-N 1 2 237.263 -0.242 20 0 BBADLO COc1c(N)[nH+]cnc1NCC(=O)NC1CC1 ZINC000134829062 343195477 /nfs/dbraw/zinc/19/54/77/343195477.db2.gz QVXYWNLTMSIIBS-UHFFFAOYSA-N 1 2 237.263 -0.242 20 0 BBADLO COc1c(N)nc[nH+]c1NCCS(C)(=O)=O ZINC000134834284 591953345 /nfs/dbraw/zinc/95/33/45/591953345.db2.gz KXSVWPPSEWTIHO-UHFFFAOYSA-N 1 2 246.292 -0.476 20 0 BBADLO COc1c(N)nc[nH+]c1NC[C@@H]1COCCO1 ZINC000134835100 343196131 /nfs/dbraw/zinc/19/61/31/343196131.db2.gz KDPAXIOXCRAXBK-SSDOTTSWSA-N 1 2 240.263 -0.105 20 0 BBADLO COc1c(N)[nH+]cnc1NC[C@@H]1COCCO1 ZINC000134835100 343196128 /nfs/dbraw/zinc/19/61/28/343196128.db2.gz KDPAXIOXCRAXBK-SSDOTTSWSA-N 1 2 240.263 -0.105 20 0 BBADLO COc1c(N)nc[nH+]c1NC[C@H]1COCCO1 ZINC000134835122 343196026 /nfs/dbraw/zinc/19/60/26/343196026.db2.gz KDPAXIOXCRAXBK-ZETCQYMHSA-N 1 2 240.263 -0.105 20 0 BBADLO COc1c(N)[nH+]cnc1NC[C@H]1COCCO1 ZINC000134835122 343196024 /nfs/dbraw/zinc/19/60/24/343196024.db2.gz KDPAXIOXCRAXBK-ZETCQYMHSA-N 1 2 240.263 -0.105 20 0 BBADLO COc1c(N)nc[nH+]c1N1CCS(=O)CC1 ZINC000134853995 343191354 /nfs/dbraw/zinc/19/13/54/343191354.db2.gz PEKLHNGUJBJRHD-UHFFFAOYSA-N 1 2 242.304 -0.364 20 0 BBADLO CCNC(=O)CN(C)c1[nH+]cnc(N)c1OC ZINC000134854334 488001089 /nfs/dbraw/zinc/00/10/89/488001089.db2.gz DBBWAZLBESXPKG-UHFFFAOYSA-N 1 2 239.279 -0.360 20 0 BBADLO CCNC(=O)CN(C)c1nc[nH+]c(N)c1OC ZINC000134854334 488001084 /nfs/dbraw/zinc/00/10/84/488001084.db2.gz DBBWAZLBESXPKG-UHFFFAOYSA-N 1 2 239.279 -0.360 20 0 BBADLO CNC(=O)CCNc1[nH+]cnc(N)c1OC ZINC000134868541 345424211 /nfs/dbraw/zinc/42/42/11/345424211.db2.gz FAHUZOCIXVRJIZ-UHFFFAOYSA-N 1 2 225.252 -0.385 20 0 BBADLO CNC(=O)CCNc1nc[nH+]c(N)c1OC ZINC000134868541 345424207 /nfs/dbraw/zinc/42/42/07/345424207.db2.gz FAHUZOCIXVRJIZ-UHFFFAOYSA-N 1 2 225.252 -0.385 20 0 BBADLO COc1c(N)nc[nH+]c1N(C)C[C@H](C)O ZINC000134876578 487540227 /nfs/dbraw/zinc/54/02/27/487540227.db2.gz SZIJSUKQHRITSL-LURJTMIESA-N 1 2 212.253 -0.116 20 0 BBADLO COc1c(N)[nH+]cnc1N(C)C[C@H](C)O ZINC000134876578 487540222 /nfs/dbraw/zinc/54/02/22/487540222.db2.gz SZIJSUKQHRITSL-LURJTMIESA-N 1 2 212.253 -0.116 20 0 BBADLO COc1c(N)nc[nH+]c1N(C)C[C@@H](C)O ZINC000134876596 487540031 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COc1c(N)nc[nH+]c1NC[C@@](C)(O)CO ZINC000134915305 343191682 /nfs/dbraw/zinc/19/16/82/343191682.db2.gz OQRWUTMEXARRAP-SECBINFHSA-N 1 2 228.252 -0.777 20 0 BBADLO COc1c(N)[nH+]cnc1NC[C@@](C)(O)CO ZINC000134915305 343191680 /nfs/dbraw/zinc/19/16/80/343191680.db2.gz OQRWUTMEXARRAP-SECBINFHSA-N 1 2 228.252 -0.777 20 0 BBADLO COc1c(N)nc[nH+]c1NC[C@](C)(O)CO ZINC000134915323 343191999 /nfs/dbraw/zinc/19/19/99/343191999.db2.gz OQRWUTMEXARRAP-VIFPVBQESA-N 1 2 228.252 -0.777 20 0 BBADLO COc1c(N)[nH+]cnc1NC[C@](C)(O)CO ZINC000134915323 343191997 /nfs/dbraw/zinc/19/19/97/343191997.db2.gz OQRWUTMEXARRAP-VIFPVBQESA-N 1 2 228.252 -0.777 20 0 BBADLO COc1c(N)nc[nH+]c1NCCc1ncn(C)n1 ZINC000134924518 343192505 /nfs/dbraw/zinc/19/25/05/343192505.db2.gz WUERUHKJVGRMGS-UHFFFAOYSA-N 1 2 249.278 -0.150 20 0 BBADLO COc1c(N)[nH+]cnc1NCCc1ncn(C)n1 ZINC000134924518 343192502 /nfs/dbraw/zinc/19/25/02/343192502.db2.gz WUERUHKJVGRMGS-UHFFFAOYSA-N 1 2 249.278 -0.150 20 0 BBADLO CC(C)S(=O)(=O)CC(=O)N1CC([NH+](C)C)C1 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/nfs/dbraw/zinc/21/18/40/384211840.db2.gz BJPKKRBPLCKSRS-SECBINFHSA-N 1 2 228.292 -0.258 20 0 BBADLO COC[C@H](C)NC(=S)NN1CC[NH+](C)CC1 ZINC000135757719 711660798 /nfs/dbraw/zinc/66/07/98/711660798.db2.gz NLMJXANRDGSVIT-VIFPVBQESA-N 1 2 246.380 -0.352 20 0 BBADLO COC[C@@H](C)NC(=S)NN1CC[NH+](C)CC1 ZINC000135757755 711660910 /nfs/dbraw/zinc/66/09/10/711660910.db2.gz NLMJXANRDGSVIT-SECBINFHSA-N 1 2 246.380 -0.352 20 0 BBADLO C[N@@H+](Cc1nccc(N)n1)CC(C)(CO)CO ZINC000135923514 323030623 /nfs/dbraw/zinc/03/06/23/323030623.db2.gz YDLZIGZXAJJOSU-UHFFFAOYSA-N 1 2 240.307 -0.519 20 0 BBADLO C[N@H+](Cc1nccc(N)n1)CC(C)(CO)CO ZINC000135923514 323030622 /nfs/dbraw/zinc/03/06/22/323030622.db2.gz YDLZIGZXAJJOSU-UHFFFAOYSA-N 1 2 240.307 -0.519 20 0 BBADLO CN(Cc1[nH]cc[nH+]1)CC(C)(CO)CO ZINC000135947509 388515228 /nfs/dbraw/zinc/51/52/28/388515228.db2.gz PECCEXVTDRZTJJ-UHFFFAOYSA-N 1 2 213.281 -0.168 20 0 BBADLO C[N@@H+](Cc1ncc[nH]1)CC(C)(CO)CO ZINC000135947509 388515227 /nfs/dbraw/zinc/51/52/27/388515227.db2.gz PECCEXVTDRZTJJ-UHFFFAOYSA-N 1 2 213.281 -0.168 20 0 BBADLO C[N@H+](Cc1ncc[nH]1)CC(C)(CO)CO ZINC000135947509 388515225 /nfs/dbraw/zinc/51/52/25/388515225.db2.gz PECCEXVTDRZTJJ-UHFFFAOYSA-N 1 2 213.281 -0.168 20 0 BBADLO CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000136008806 358861142 /nfs/dbraw/zinc/86/11/42/358861142.db2.gz ZCQFEFPMMFSMLT-QMMMGPOBSA-N 1 2 201.270 -0.364 20 0 BBADLO CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000136008839 358860487 /nfs/dbraw/zinc/86/04/87/358860487.db2.gz ZCQFEFPMMFSMLT-MRVPVSSYSA-N 1 2 201.270 -0.364 20 0 BBADLO O=C(NCCC[NH+]1CCOCC1)C1CC(=O)C1 ZINC000136047357 388519563 /nfs/dbraw/zinc/51/95/63/388519563.db2.gz CRQVCZBIJYVJLV-UHFFFAOYSA-N 1 2 240.303 -0.196 20 0 BBADLO Cc1nnc(C[N@@H+](C)CC(C)(CO)CO)n1C ZINC000136055140 386569532 /nfs/dbraw/zinc/56/95/32/386569532.db2.gz CXWBNHPRPAKDQM-UHFFFAOYSA-N 1 2 242.323 -0.454 20 0 BBADLO Cc1nnc(C[N@H+](C)CC(C)(CO)CO)n1C ZINC000136055140 386569521 /nfs/dbraw/zinc/56/95/21/386569521.db2.gz CXWBNHPRPAKDQM-UHFFFAOYSA-N 1 2 242.323 -0.454 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)C ZINC000136139671 323180906 /nfs/dbraw/zinc/18/09/06/323180906.db2.gz BLEZCVROHAPBES-VIFPVBQESA-N 1 2 215.297 -0.022 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)C ZINC000136139708 388524848 /nfs/dbraw/zinc/52/48/48/388524848.db2.gz BLEZCVROHAPBES-SECBINFHSA-N 1 2 215.297 -0.022 20 0 BBADLO COC(C[NH+]1CCN(C(=O)N(C)C)CC1)OC ZINC000136718819 592149154 /nfs/dbraw/zinc/14/91/54/592149154.db2.gz OGVXEUJIKZLXFS-UHFFFAOYSA-N 1 2 245.323 -0.096 20 0 BBADLO CCNC(=O)N1CC[NH+](CC(OC)OC)CC1 ZINC000136726043 585021467 /nfs/dbraw/zinc/02/14/67/585021467.db2.gz ZBWMOZRYCSEWCJ-UHFFFAOYSA-N 1 2 245.323 -0.048 20 0 BBADLO COCCN1CC[NH+](CC(OC)OC)CC1 ZINC000136735367 592150927 /nfs/dbraw/zinc/15/09/27/592150927.db2.gz WDRQUPVYYMLXHE-UHFFFAOYSA-N 1 2 232.324 -0.131 20 0 BBADLO COCC(=O)N1CC[NH+](CC(OC)OC)CC1 ZINC000136740921 632558154 /nfs/dbraw/zinc/55/81/54/632558154.db2.gz OXPDOLZSZWSHDK-UHFFFAOYSA-N 1 2 246.307 -0.604 20 0 BBADLO COCC[N@H+](CC(=O)N(C)C)CC(OC)OC ZINC000136740962 592150519 /nfs/dbraw/zinc/15/05/19/592150519.db2.gz SLLVVOGIHJYDBU-UHFFFAOYSA-N 1 2 248.323 -0.358 20 0 BBADLO COCC[N@@H+](CC(=O)N(C)C)CC(OC)OC ZINC000136740962 592150516 /nfs/dbraw/zinc/15/05/16/592150516.db2.gz SLLVVOGIHJYDBU-UHFFFAOYSA-N 1 2 248.323 -0.358 20 0 BBADLO COC(C[N@@H+](C)CC(=O)N1CCOCC1)OC ZINC000136759793 592150891 /nfs/dbraw/zinc/15/08/91/592150891.db2.gz OIDLJFRSFYFPBY-UHFFFAOYSA-N 1 2 246.307 -0.604 20 0 BBADLO COC(C[N@H+](C)CC(=O)N1CCOCC1)OC ZINC000136759793 592150889 /nfs/dbraw/zinc/15/08/89/592150889.db2.gz OIDLJFRSFYFPBY-UHFFFAOYSA-N 1 2 246.307 -0.604 20 0 BBADLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)CO)CC2)S1 ZINC000137258532 592164690 /nfs/dbraw/zinc/16/46/90/592164690.db2.gz VQGLJGZEDFJAEW-MRVPVSSYSA-N 1 2 243.332 -0.386 20 0 BBADLO C[C@H]1C[NH+]=C(N2CCN(C(=O)CO)CC2)S1 ZINC000137258576 592164753 /nfs/dbraw/zinc/16/47/53/592164753.db2.gz VQGLJGZEDFJAEW-QMMMGPOBSA-N 1 2 243.332 -0.386 20 0 BBADLO CSCC[N@@H+](C)Cc1nc(N)nc(N)n1 ZINC000138234384 398269468 /nfs/dbraw/zinc/26/94/68/398269468.db2.gz AZUJESUOFSYXJT-UHFFFAOYSA-N 1 2 228.325 -0.169 20 0 BBADLO CSCC[N@H+](C)Cc1nc(N)nc(N)n1 ZINC000138234384 398269467 /nfs/dbraw/zinc/26/94/67/398269467.db2.gz AZUJESUOFSYXJT-UHFFFAOYSA-N 1 2 228.325 -0.169 20 0 BBADLO CNC(=O)C[N@@H+](C)CC(=O)N(C)C1CC1 ZINC000138331033 353866400 /nfs/dbraw/zinc/86/64/00/353866400.db2.gz LDFMSEZULZQWLF-UHFFFAOYSA-N 1 2 213.281 -0.715 20 0 BBADLO CNC(=O)C[N@H+](C)CC(=O)N(C)C1CC1 ZINC000138331033 353866397 /nfs/dbraw/zinc/86/63/97/353866397.db2.gz LDFMSEZULZQWLF-UHFFFAOYSA-N 1 2 213.281 -0.715 20 0 BBADLO Cn1ccc(C(=O)NCC[NH+]2CCOCC2)n1 ZINC000138437690 360704777 /nfs/dbraw/zinc/70/47/77/360704777.db2.gz QDAJWRZPNXPGSU-UHFFFAOYSA-N 1 2 238.291 -0.518 20 0 BBADLO C[C@@H]1[C@H](C)OCC[N@H+]1CC(=O)N1CCNC1=O ZINC000139209916 387839182 /nfs/dbraw/zinc/83/91/82/387839182.db2.gz GMWKIAJJVXDKGK-BDAKNGLRSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC(=O)N1CCNC1=O ZINC000139209916 387839177 /nfs/dbraw/zinc/83/91/77/387839177.db2.gz GMWKIAJJVXDKGK-BDAKNGLRSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@@H]1OCC[N@@H+](CC(=O)N2CCNC2=O)[C@H]1C ZINC000139210026 387840018 /nfs/dbraw/zinc/84/00/18/387840018.db2.gz GMWKIAJJVXDKGK-IUCAKERBSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@@H]1OCC[N@H+](CC(=O)N2CCNC2=O)[C@H]1C ZINC000139210026 387840016 /nfs/dbraw/zinc/84/00/16/387840016.db2.gz GMWKIAJJVXDKGK-IUCAKERBSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@H]1OCC[N@@H+](CC(=O)N2CCNC2=O)[C@@H]1C ZINC000139210136 177398379 /nfs/dbraw/zinc/39/83/79/177398379.db2.gz GMWKIAJJVXDKGK-RKDXNWHRSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@H]1OCC[N@H+](CC(=O)N2CCNC2=O)[C@@H]1C ZINC000139210136 177398376 /nfs/dbraw/zinc/39/83/76/177398376.db2.gz GMWKIAJJVXDKGK-RKDXNWHRSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@H]1OCC[N@@H+](CC(=O)N2CCNC2=O)[C@H]1C ZINC000139210263 387839837 /nfs/dbraw/zinc/83/98/37/387839837.db2.gz GMWKIAJJVXDKGK-DTWKUNHWSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@H]1OCC[N@H+](CC(=O)N2CCNC2=O)[C@H]1C ZINC000139210263 387839832 /nfs/dbraw/zinc/83/98/32/387839832.db2.gz GMWKIAJJVXDKGK-DTWKUNHWSA-N 1 2 241.291 -0.353 20 0 BBADLO COC(=O)[C@H](C)[N@@H+](C)CCN1CCOC1=O ZINC000139589555 592417150 /nfs/dbraw/zinc/41/71/50/592417150.db2.gz SXWZWBPLAKANTC-QMMMGPOBSA-N 1 2 230.264 -0.068 20 0 BBADLO COC(=O)[C@H](C)[N@H+](C)CCN1CCOC1=O ZINC000139589555 592417148 /nfs/dbraw/zinc/41/71/48/592417148.db2.gz SXWZWBPLAKANTC-QMMMGPOBSA-N 1 2 230.264 -0.068 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+](C)CCN1CCOC1=O ZINC000139589639 592417091 /nfs/dbraw/zinc/41/70/91/592417091.db2.gz SXWZWBPLAKANTC-MRVPVSSYSA-N 1 2 230.264 -0.068 20 0 BBADLO COC(=O)[C@@H](C)[N@H+](C)CCN1CCOC1=O ZINC000139589639 592417090 /nfs/dbraw/zinc/41/70/90/592417090.db2.gz SXWZWBPLAKANTC-MRVPVSSYSA-N 1 2 230.264 -0.068 20 0 BBADLO CCNC(=O)C[N@@H+](C)CC(=O)N(C)C1CC1 ZINC000139942733 343068281 /nfs/dbraw/zinc/06/82/81/343068281.db2.gz RTCYUZHGFYGFMN-UHFFFAOYSA-N 1 2 227.308 -0.325 20 0 BBADLO CCNC(=O)C[N@H+](C)CC(=O)N(C)C1CC1 ZINC000139942733 343068279 /nfs/dbraw/zinc/06/82/79/343068279.db2.gz RTCYUZHGFYGFMN-UHFFFAOYSA-N 1 2 227.308 -0.325 20 0 BBADLO CC[C@H](NC(=O)Cn1cnnn1)c1[nH]cc[nH+]1 ZINC000140714008 358926175 /nfs/dbraw/zinc/92/61/75/358926175.db2.gz YSDVCQKXYPMAFR-ZETCQYMHSA-N 1 2 235.251 -0.336 20 0 BBADLO CC[C@@H](NC(=O)Cn1cnnn1)c1[nH]cc[nH+]1 ZINC000140714200 358925824 /nfs/dbraw/zinc/92/58/24/358925824.db2.gz YSDVCQKXYPMAFR-SSDOTTSWSA-N 1 2 235.251 -0.336 20 0 BBADLO CC(C)C(=O)N1CC[NH+](CCOCCO)CC1 ZINC000140891000 345824538 /nfs/dbraw/zinc/82/45/38/345824538.db2.gz INXWXCDJWRVTLL-UHFFFAOYSA-N 1 2 244.335 -0.205 20 0 BBADLO CCOC(=O)C[N@@H+](CCOC)CCC(=O)NC ZINC000142893403 345877932 /nfs/dbraw/zinc/87/79/32/345877932.db2.gz UDTCJXHFNQVHAI-UHFFFAOYSA-N 1 2 246.307 -0.366 20 0 BBADLO CCOC(=O)C[N@H+](CCOC)CCC(=O)NC ZINC000142893403 345877929 /nfs/dbraw/zinc/87/79/29/345877929.db2.gz UDTCJXHFNQVHAI-UHFFFAOYSA-N 1 2 246.307 -0.366 20 0 BBADLO COCC[NH+]1CCN(CC(C)=O)CC1 ZINC000144691195 487498986 /nfs/dbraw/zinc/49/89/86/487498986.db2.gz ZXKNVMQRGVDTAK-UHFFFAOYSA-N 1 2 200.282 -0.161 20 0 BBADLO COCCOCC[NH+]1CCN(CC(C)=O)CC1 ZINC000147191414 487974167 /nfs/dbraw/zinc/97/41/67/487974167.db2.gz GTENVSXIPOVZFX-UHFFFAOYSA-N 1 2 244.335 -0.144 20 0 BBADLO COCCOCC[N@H+]1CCO[C@H](C(=O)OC)C1 ZINC000147497288 174354921 /nfs/dbraw/zinc/35/49/21/174354921.db2.gz GUKOTESJEXEHSR-JTQLQIEISA-N 1 2 247.291 -0.477 20 0 BBADLO COCCOCC[N@@H+]1CCO[C@H](C(=O)OC)C1 ZINC000147497288 174354920 /nfs/dbraw/zinc/35/49/20/174354920.db2.gz GUKOTESJEXEHSR-JTQLQIEISA-N 1 2 247.291 -0.477 20 0 BBADLO COCCOCC[N@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000147497494 174354806 /nfs/dbraw/zinc/35/48/06/174354806.db2.gz GUKOTESJEXEHSR-SNVBAGLBSA-N 1 2 247.291 -0.477 20 0 BBADLO COCCOCC[N@@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000147497494 174354804 /nfs/dbraw/zinc/35/48/04/174354804.db2.gz GUKOTESJEXEHSR-SNVBAGLBSA-N 1 2 247.291 -0.477 20 0 BBADLO CON1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000147664390 582607942 /nfs/dbraw/zinc/60/79/42/582607942.db2.gz BGDSCCYIMNEWPB-UHFFFAOYSA-N 1 2 227.308 -0.212 20 0 BBADLO CON1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000147667664 583690579 /nfs/dbraw/zinc/69/05/79/583690579.db2.gz LNLFYJMECWFRDU-UHFFFAOYSA-N 1 2 215.297 -0.310 20 0 BBADLO CC(=O)N1CC[C@H]([NH+]2CCN(CCO)CC2)C1 ZINC000148250372 711482143 /nfs/dbraw/zinc/48/21/43/711482143.db2.gz PCEAKLKIGSRRLX-LBPRGKRZSA-N 1 2 241.335 -0.783 20 0 BBADLO CC(=O)N1CC[C@@H]([NH+]2CCN(CCO)CC2)C1 ZINC000148250570 711040153 /nfs/dbraw/zinc/04/01/53/711040153.db2.gz PCEAKLKIGSRRLX-GFCCVEGCSA-N 1 2 241.335 -0.783 20 0 BBADLO CC[C@@H](C[NH+]1CCOCC1)NC(N)=O ZINC000148809246 712355736 /nfs/dbraw/zinc/35/57/36/712355736.db2.gz NXZSRFIYIWRYNQ-QMMMGPOBSA-N 1 2 201.270 -0.235 20 0 BBADLO CC[C@H](C[NH+]1CCOCC1)NC(N)=O ZINC000148809440 712355754 /nfs/dbraw/zinc/35/57/54/712355754.db2.gz NXZSRFIYIWRYNQ-MRVPVSSYSA-N 1 2 201.270 -0.235 20 0 BBADLO COC[C@H](O)C[N@H+]1CCO[C@H](CC(=O)OC)C1 ZINC000148813694 384470750 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/nfs/dbraw/zinc/63/56/22/386635622.db2.gz UOMPBFSPQZBXCG-VIFPVBQESA-N 1 2 217.265 -0.367 20 0 BBADLO COC(=O)C[C@H]1C[N@H+](CCCO)CCO1 ZINC000148821075 386635618 /nfs/dbraw/zinc/63/56/18/386635618.db2.gz UOMPBFSPQZBXCG-VIFPVBQESA-N 1 2 217.265 -0.367 20 0 BBADLO COCC[N@H+]1CCO[C@H](CC(=O)OC)C1 ZINC000148824182 386661500 /nfs/dbraw/zinc/66/15/00/386661500.db2.gz FLIOGLACZYDWGG-SECBINFHSA-N 1 2 217.265 -0.103 20 0 BBADLO COCC[N@@H+]1CCO[C@H](CC(=O)OC)C1 ZINC000148824182 386661493 /nfs/dbraw/zinc/66/14/93/386661493.db2.gz FLIOGLACZYDWGG-SECBINFHSA-N 1 2 217.265 -0.103 20 0 BBADLO COCC[N@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC000148824399 387636455 /nfs/dbraw/zinc/63/64/55/387636455.db2.gz FLIOGLACZYDWGG-VIFPVBQESA-N 1 2 217.265 -0.103 20 0 BBADLO COCC[N@@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC000148824399 387636452 /nfs/dbraw/zinc/63/64/52/387636452.db2.gz FLIOGLACZYDWGG-VIFPVBQESA-N 1 2 217.265 -0.103 20 0 BBADLO CNC(=O)CC[N@H+]1CCO[C@H](CC(=O)OC)C1 ZINC000148855402 384475252 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359750168 /nfs/dbraw/zinc/75/01/68/359750168.db2.gz XZEWOVNTKMPDOI-LLVKDONJSA-N 1 2 242.319 -0.044 20 0 BBADLO CN1CC[N@H+](CCOC[C@H]2CCCO2)CC1=O ZINC000152592247 359750166 /nfs/dbraw/zinc/75/01/66/359750166.db2.gz XZEWOVNTKMPDOI-LLVKDONJSA-N 1 2 242.319 -0.044 20 0 BBADLO O=C(CO)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000152640344 325278389 /nfs/dbraw/zinc/27/83/89/325278389.db2.gz VJNPVKYRIUTIGP-UHFFFAOYSA-N 1 2 224.264 -0.954 20 0 BBADLO O=C(CO)N1CC[NH+](CCOCC2CC2)CC1 ZINC000152731718 344684718 /nfs/dbraw/zinc/68/47/18/344684718.db2.gz XABJESFYUVWUBI-UHFFFAOYSA-N 1 2 242.319 -0.451 20 0 BBADLO COC(=O)CC[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000152752971 344686503 /nfs/dbraw/zinc/68/65/03/344686503.db2.gz BQFWIVIBBNTMKJ-VIFPVBQESA-N 1 2 244.291 -0.926 20 0 BBADLO COC(=O)CC[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000152753066 344686826 /nfs/dbraw/zinc/68/68/26/344686826.db2.gz BQFWIVIBBNTMKJ-SECBINFHSA-N 1 2 244.291 -0.926 20 0 BBADLO O=C1NC[C@H]2C[N@@H+](C/C=C/Cl)CCN2C1=O ZINC000152834733 385216520 /nfs/dbraw/zinc/21/65/20/385216520.db2.gz VQOMARBCSPXBBR-CMLYIYFCSA-N 1 2 243.694 -0.619 20 0 BBADLO O=C1NC[C@H]2C[N@H+](C/C=C/Cl)CCN2C1=O ZINC000152834733 385216509 /nfs/dbraw/zinc/21/65/09/385216509.db2.gz VQOMARBCSPXBBR-CMLYIYFCSA-N 1 2 243.694 -0.619 20 0 BBADLO O=C1NC[C@@H]2C[N@@H+](C/C=C/Cl)CCN2C1=O ZINC000152834850 385215100 /nfs/dbraw/zinc/21/51/00/385215100.db2.gz VQOMARBCSPXBBR-FHKCNRDCSA-N 1 2 243.694 -0.619 20 0 BBADLO O=C1NC[C@@H]2C[N@H+](C/C=C/Cl)CCN2C1=O ZINC000152834850 385215096 /nfs/dbraw/zinc/21/50/96/385215096.db2.gz VQOMARBCSPXBBR-FHKCNRDCSA-N 1 2 243.694 -0.619 20 0 BBADLO CCCCOCC[NH+]1CCN(C(=O)CO)CC1 ZINC000152841034 323048862 /nfs/dbraw/zinc/04/88/62/323048862.db2.gz JILXMYAXMRJAMZ-UHFFFAOYSA-N 1 2 244.335 -0.060 20 0 BBADLO CCOCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000152955428 344727217 /nfs/dbraw/zinc/72/72/17/344727217.db2.gz JKEIHBMSALIAEZ-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO CCOCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000152955428 344727216 /nfs/dbraw/zinc/72/72/16/344727216.db2.gz JKEIHBMSALIAEZ-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO C[N@H+]1CCO[C@H]2CN(C(=O)C3CC3)C[C@@H]21 ZINC000153000696 388349553 /nfs/dbraw/zinc/34/95/53/388349553.db2.gz YRCADYJXVLGGPA-UWVGGRQHSA-N 1 2 210.277 -0.062 20 0 BBADLO C[N@@H+]1CCO[C@H]2CN(C(=O)C3CC3)C[C@@H]21 ZINC000153000696 388349552 /nfs/dbraw/zinc/34/95/52/388349552.db2.gz YRCADYJXVLGGPA-UWVGGRQHSA-N 1 2 210.277 -0.062 20 0 BBADLO C[N@H+]1CCO[C@@H]2CN(C(=O)C3CC3)C[C@@H]21 ZINC000153000842 344731881 /nfs/dbraw/zinc/73/18/81/344731881.db2.gz YRCADYJXVLGGPA-VHSXEESVSA-N 1 2 210.277 -0.062 20 0 BBADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)C3CC3)C[C@@H]21 ZINC000153000842 344731877 /nfs/dbraw/zinc/73/18/77/344731877.db2.gz YRCADYJXVLGGPA-VHSXEESVSA-N 1 2 210.277 -0.062 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@H+]1CCN1CCCC1=O ZINC000153021143 201218049 /nfs/dbraw/zinc/21/80/49/201218049.db2.gz MNPCXYCIVXNHGW-MNOVXSKESA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CCN1CCCC1=O ZINC000153021143 201218048 /nfs/dbraw/zinc/21/80/48/201218048.db2.gz MNPCXYCIVXNHGW-MNOVXSKESA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H]1CO[C@H](CO)C[N@H+]1CCN1CCCC1=O ZINC000153021239 201218166 /nfs/dbraw/zinc/21/81/66/201218166.db2.gz MNPCXYCIVXNHGW-QWRGUYRKSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H]1CO[C@H](CO)C[N@@H+]1CCN1CCCC1=O ZINC000153021239 201218164 /nfs/dbraw/zinc/21/81/64/201218164.db2.gz MNPCXYCIVXNHGW-QWRGUYRKSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CCN1CCCC1=O ZINC000153021368 201218278 /nfs/dbraw/zinc/21/82/78/201218278.db2.gz MNPCXYCIVXNHGW-GHMZBOCLSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCN1CCCC1=O ZINC000153021368 201218275 /nfs/dbraw/zinc/21/82/75/201218275.db2.gz MNPCXYCIVXNHGW-GHMZBOCLSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H]1CO[C@@H](CO)C[N@H+]1CCN1CCCC1=O ZINC000153021475 201217671 /nfs/dbraw/zinc/21/76/71/201217671.db2.gz MNPCXYCIVXNHGW-WDEREUQCSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CCN1CCCC1=O ZINC000153021475 201217668 /nfs/dbraw/zinc/21/76/68/201217668.db2.gz MNPCXYCIVXNHGW-WDEREUQCSA-N 1 2 242.319 -0.310 20 0 BBADLO CN(CC(F)F)C(=O)CN1CC[NH2+]CC1=O ZINC000153398258 201236122 /nfs/dbraw/zinc/23/61/22/201236122.db2.gz MBMHGUYIDJSDGR-UHFFFAOYSA-N 1 2 235.234 -0.858 20 0 BBADLO O=C(NCC[NH+]1CCOCC1)c1ccnnc1 ZINC000153589357 182187732 /nfs/dbraw/zinc/18/77/32/182187732.db2.gz JSRMEPDCHIBEBQ-UHFFFAOYSA-N 1 2 236.275 -0.461 20 0 BBADLO Cc1ccc(C[NH+]2CCN(CC(N)=O)CC2)cn1 ZINC000153719045 344959587 /nfs/dbraw/zinc/95/95/87/344959587.db2.gz WYKZHZXGUPDZQN-UHFFFAOYSA-N 1 2 248.330 -0.007 20 0 BBADLO NC(=O)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000154142681 326132551 /nfs/dbraw/zinc/13/25/51/326132551.db2.gz MDAJKWFCLPUJCP-VIFPVBQESA-N 1 2 236.275 -0.393 20 0 BBADLO NC(=O)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000154142791 326132847 /nfs/dbraw/zinc/13/28/47/326132847.db2.gz MDAJKWFCLPUJCP-SECBINFHSA-N 1 2 236.275 -0.393 20 0 BBADLO CNC(=O)NC(=O)C[N@H+]1CCOC2(CCC2)C1 ZINC000154145941 345017175 /nfs/dbraw/zinc/01/71/75/345017175.db2.gz YZGHEPWZVNKUDB-UHFFFAOYSA-N 1 2 241.291 -0.303 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+]1CCOC2(CCC2)C1 ZINC000154145941 345017173 /nfs/dbraw/zinc/01/71/73/345017173.db2.gz YZGHEPWZVNKUDB-UHFFFAOYSA-N 1 2 241.291 -0.303 20 0 BBADLO CC(=O)NCC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000154154497 632828696 /nfs/dbraw/zinc/82/86/96/632828696.db2.gz QIRWEHRJBPQJEX-VIFPVBQESA-N 1 2 244.291 -0.614 20 0 BBADLO CC(=O)NCC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000154154580 641972428 /nfs/dbraw/zinc/97/24/28/641972428.db2.gz QIRWEHRJBPQJEX-SECBINFHSA-N 1 2 244.291 -0.614 20 0 BBADLO CS(=O)(=O)NCC[N@H+]1CCOC2(CCC2)C1 ZINC000154290782 345024165 /nfs/dbraw/zinc/02/41/65/345024165.db2.gz MNMVVMSGYRBWJU-UHFFFAOYSA-N 1 2 248.348 -0.210 20 0 BBADLO CS(=O)(=O)NCC[N@@H+]1CCOC2(CCC2)C1 ZINC000154290782 345024162 /nfs/dbraw/zinc/02/41/62/345024162.db2.gz MNMVVMSGYRBWJU-UHFFFAOYSA-N 1 2 248.348 -0.210 20 0 BBADLO NC(=O)NC(=O)C[N@H+]1CCOC2(CCC2)C1 ZINC000154301154 345025985 /nfs/dbraw/zinc/02/59/85/345025985.db2.gz DDOABZFVXDTTKD-UHFFFAOYSA-N 1 2 227.264 -0.564 20 0 BBADLO NC(=O)NC(=O)C[N@@H+]1CCOC2(CCC2)C1 ZINC000154301154 345025980 /nfs/dbraw/zinc/02/59/80/345025980.db2.gz DDOABZFVXDTTKD-UHFFFAOYSA-N 1 2 227.264 -0.564 20 0 BBADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCOC2(CCC2)C1 ZINC000154349397 384610313 /nfs/dbraw/zinc/61/03/13/384610313.db2.gz PCUXWQCIKHTATK-QMMMGPOBSA-N 1 2 241.291 -0.175 20 0 BBADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCOC2(CCC2)C1 ZINC000154349397 384610306 /nfs/dbraw/zinc/61/03/06/384610306.db2.gz PCUXWQCIKHTATK-QMMMGPOBSA-N 1 2 241.291 -0.175 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CCOC2(CCC2)C1 ZINC000154349493 384611696 /nfs/dbraw/zinc/61/16/96/384611696.db2.gz PCUXWQCIKHTATK-MRVPVSSYSA-N 1 2 241.291 -0.175 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCOC2(CCC2)C1 ZINC000154349493 384611690 /nfs/dbraw/zinc/61/16/90/384611690.db2.gz PCUXWQCIKHTATK-MRVPVSSYSA-N 1 2 241.291 -0.175 20 0 BBADLO CC[N@@H+](CCOCCO)CCS(C)(=O)=O ZINC000154408986 642068399 /nfs/dbraw/zinc/06/83/99/642068399.db2.gz FKOOMCUTLFTVQW-UHFFFAOYSA-N 1 2 239.337 -0.638 20 0 BBADLO CC[N@H+](CCOCCO)CCS(C)(=O)=O ZINC000154408986 642068394 /nfs/dbraw/zinc/06/83/94/642068394.db2.gz FKOOMCUTLFTVQW-UHFFFAOYSA-N 1 2 239.337 -0.638 20 0 BBADLO COc1ccc(C(=O)N2CC[NH+](C)CC2)nn1 ZINC000154579661 175057057 /nfs/dbraw/zinc/05/70/57/175057057.db2.gz FALFHHCARIHEDW-UHFFFAOYSA-N 1 2 236.275 -0.127 20 0 BBADLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cnnn1C ZINC000154776924 173297734 /nfs/dbraw/zinc/29/77/34/173297734.db2.gz MDEDAFRHQUQROB-JTQLQIEISA-N 1 2 237.307 -0.084 20 0 BBADLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cnnn1C ZINC000154776924 173297733 /nfs/dbraw/zinc/29/77/33/173297733.db2.gz MDEDAFRHQUQROB-JTQLQIEISA-N 1 2 237.307 -0.084 20 0 BBADLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cnnn1C ZINC000154777037 173305945 /nfs/dbraw/zinc/30/59/45/173305945.db2.gz MDEDAFRHQUQROB-SNVBAGLBSA-N 1 2 237.307 -0.084 20 0 BBADLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cnnn1C ZINC000154777037 173305944 /nfs/dbraw/zinc/30/59/44/173305944.db2.gz MDEDAFRHQUQROB-SNVBAGLBSA-N 1 2 237.307 -0.084 20 0 BBADLO C[C@@H](CCO)NC(=O)NCCn1cc[nH+]c1 ZINC000154844895 385360124 /nfs/dbraw/zinc/36/01/24/385360124.db2.gz YRBZUMCISXLDIO-VIFPVBQESA-N 1 2 226.280 -0.047 20 0 BBADLO C[C@H](CCO)NC(=O)NCCn1cc[nH+]c1 ZINC000154845004 385359789 /nfs/dbraw/zinc/35/97/89/385359789.db2.gz YRBZUMCISXLDIO-SECBINFHSA-N 1 2 226.280 -0.047 20 0 BBADLO O=C(C[NH+](CCO)CCO)Nc1ccncc1 ZINC000154922155 326173780 /nfs/dbraw/zinc/17/37/80/326173780.db2.gz OHLTVDHXMDOFAX-UHFFFAOYSA-N 1 2 239.275 -0.693 20 0 BBADLO CCCOC(=O)[C@@H](C)[NH+](CCO)CCO ZINC000154927741 642311877 /nfs/dbraw/zinc/31/18/77/642311877.db2.gz ULGXSXLHCFVHNI-SECBINFHSA-N 1 2 219.281 -0.385 20 0 BBADLO CCCOC(=O)[C@H](C)[NH+](CCO)CCO ZINC000154927845 642310898 /nfs/dbraw/zinc/31/08/98/642310898.db2.gz ULGXSXLHCFVHNI-VIFPVBQESA-N 1 2 219.281 -0.385 20 0 BBADLO CCc1cc(=O)[nH]c(C[NH+](CCO)CCO)n1 ZINC000154929274 385367463 /nfs/dbraw/zinc/36/74/63/385367463.db2.gz JHCVXAUTEBACBL-UHFFFAOYSA-N 1 2 241.291 -0.469 20 0 BBADLO CCNC(=O)C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000154948050 345060891 /nfs/dbraw/zinc/06/08/91/345060891.db2.gz ZMZCGILEGXKFID-SECBINFHSA-N 1 2 227.308 -0.277 20 0 BBADLO CCNC(=O)C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000154948050 345060890 /nfs/dbraw/zinc/06/08/90/345060890.db2.gz ZMZCGILEGXKFID-SECBINFHSA-N 1 2 227.308 -0.277 20 0 BBADLO CCNC(=O)C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000154948153 345061310 /nfs/dbraw/zinc/06/13/10/345061310.db2.gz ZMZCGILEGXKFID-VIFPVBQESA-N 1 2 227.308 -0.277 20 0 BBADLO CCNC(=O)C[N@H+](C)[C@H]1CCCCNC1=O ZINC000154948153 345061308 /nfs/dbraw/zinc/06/13/08/345061308.db2.gz ZMZCGILEGXKFID-VIFPVBQESA-N 1 2 227.308 -0.277 20 0 BBADLO CC(=O)NCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000154965908 385367491 /nfs/dbraw/zinc/36/74/91/385367491.db2.gz YOHLJZARKBSAQY-UHFFFAOYSA-N 1 2 238.291 -0.132 20 0 BBADLO C[N@@H+](CC(=O)NC(N)=O)Cc1cccnc1 ZINC000155101725 326185351 /nfs/dbraw/zinc/18/53/51/326185351.db2.gz OLXASVZMZUYMAH-UHFFFAOYSA-N 1 2 222.248 -0.292 20 0 BBADLO C[N@H+](CC(=O)NC(N)=O)Cc1cccnc1 ZINC000155101725 326185348 /nfs/dbraw/zinc/18/53/48/326185348.db2.gz OLXASVZMZUYMAH-UHFFFAOYSA-N 1 2 222.248 -0.292 20 0 BBADLO C[N@H+]1CCO[C@H](CNC(=O)CC[S@](C)=O)C1 ZINC000155190588 345070518 /nfs/dbraw/zinc/07/05/18/345070518.db2.gz HXWOMVQAAFYMJN-JDNHERCYSA-N 1 2 248.348 -0.798 20 0 BBADLO C[N@@H+]1CCO[C@H](CNC(=O)CC[S@](C)=O)C1 ZINC000155190588 345070516 /nfs/dbraw/zinc/07/05/16/345070516.db2.gz HXWOMVQAAFYMJN-JDNHERCYSA-N 1 2 248.348 -0.798 20 0 BBADLO C[N@H+]1CCO[C@@H](CNC(=O)CC[S@](C)=O)C1 ZINC000155190708 345071263 /nfs/dbraw/zinc/07/12/63/345071263.db2.gz HXWOMVQAAFYMJN-XXFAHNHDSA-N 1 2 248.348 -0.798 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNC(=O)CC[S@](C)=O)C1 ZINC000155190708 345071261 /nfs/dbraw/zinc/07/12/61/345071261.db2.gz HXWOMVQAAFYMJN-XXFAHNHDSA-N 1 2 248.348 -0.798 20 0 BBADLO C[NH+](C)CC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000155499839 326197375 /nfs/dbraw/zinc/19/73/75/326197375.db2.gz HNGBMLTULKMDQT-UHFFFAOYSA-N 1 2 248.348 -0.416 20 0 BBADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCC(C)=O ZINC000155714565 345098652 /nfs/dbraw/zinc/09/86/52/345098652.db2.gz VCBOBNGCYZKDDA-BDAKNGLRSA-N 1 2 215.249 -0.426 20 0 BBADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCC(C)=O ZINC000155714565 345098649 /nfs/dbraw/zinc/09/86/49/345098649.db2.gz VCBOBNGCYZKDDA-BDAKNGLRSA-N 1 2 215.249 -0.426 20 0 BBADLO C[C@@H]1[C@H](C)OCC[N@H+]1CC(=O)N1CCOCC1 ZINC000156012041 345120647 /nfs/dbraw/zinc/12/06/47/345120647.db2.gz KIHSZOPVTNGYEA-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC(=O)N1CCOCC1 ZINC000156012041 345120644 /nfs/dbraw/zinc/12/06/44/345120644.db2.gz KIHSZOPVTNGYEA-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@@H]1OCC[N@@H+](CC(=O)N2CCOCC2)[C@H]1C ZINC000156012158 345120614 /nfs/dbraw/zinc/12/06/14/345120614.db2.gz KIHSZOPVTNGYEA-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@@H]1OCC[N@H+](CC(=O)N2CCOCC2)[C@H]1C ZINC000156012158 345120612 /nfs/dbraw/zinc/12/06/12/345120612.db2.gz KIHSZOPVTNGYEA-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@H]1OCC[N@@H+](CC(=O)N2CCOCC2)[C@@H]1C ZINC000156012268 345120935 /nfs/dbraw/zinc/12/09/35/345120935.db2.gz KIHSZOPVTNGYEA-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@H]1OCC[N@H+](CC(=O)N2CCOCC2)[C@@H]1C ZINC000156012268 345120931 /nfs/dbraw/zinc/12/09/31/345120931.db2.gz KIHSZOPVTNGYEA-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@H]1OCC[N@@H+](CC(=O)N2CCOCC2)[C@H]1C ZINC000156012391 345120982 /nfs/dbraw/zinc/12/09/82/345120982.db2.gz KIHSZOPVTNGYEA-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@H]1OCC[N@H+](CC(=O)N2CCOCC2)[C@H]1C ZINC000156012391 345120979 /nfs/dbraw/zinc/12/09/79/345120979.db2.gz KIHSZOPVTNGYEA-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO CC(C)[C@@H](C(=O)NCc1n[nH]c(=O)[nH]1)[NH+](C)C ZINC000156057019 345122024 /nfs/dbraw/zinc/12/20/24/345122024.db2.gz VHUIMRQCDMVPOU-QMMMGPOBSA-N 1 2 241.295 -0.700 20 0 BBADLO CCNC(=O)NC(=O)C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000156109406 201398747 /nfs/dbraw/zinc/39/87/47/201398747.db2.gz HWYACTZKUGQPAT-DTWKUNHWSA-N 1 2 243.307 -0.059 20 0 BBADLO CCNC(=O)NC(=O)C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000156109406 201398742 /nfs/dbraw/zinc/39/87/42/201398742.db2.gz HWYACTZKUGQPAT-DTWKUNHWSA-N 1 2 243.307 -0.059 20 0 BBADLO CCNC(=O)NC(=O)C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156109536 351772819 /nfs/dbraw/zinc/77/28/19/351772819.db2.gz HWYACTZKUGQPAT-IUCAKERBSA-N 1 2 243.307 -0.059 20 0 BBADLO CCNC(=O)NC(=O)C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156109536 351772817 /nfs/dbraw/zinc/77/28/17/351772817.db2.gz HWYACTZKUGQPAT-IUCAKERBSA-N 1 2 243.307 -0.059 20 0 BBADLO C[C@@H]1[C@H](C)OCC[N@H+]1CCNS(C)(=O)=O ZINC000156220648 206075245 /nfs/dbraw/zinc/07/52/45/206075245.db2.gz BKCKWSNHSWTUPM-BDAKNGLRSA-N 1 2 236.337 -0.355 20 0 BBADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CCNS(C)(=O)=O ZINC000156220648 206075240 /nfs/dbraw/zinc/07/52/40/206075240.db2.gz BKCKWSNHSWTUPM-BDAKNGLRSA-N 1 2 236.337 -0.355 20 0 BBADLO C[C@@H]1OCC[N@@H+](CCNS(C)(=O)=O)[C@H]1C ZINC000156220785 206074915 /nfs/dbraw/zinc/07/49/15/206074915.db2.gz BKCKWSNHSWTUPM-IUCAKERBSA-N 1 2 236.337 -0.355 20 0 BBADLO C[C@@H]1OCC[N@H+](CCNS(C)(=O)=O)[C@H]1C ZINC000156220785 206074907 /nfs/dbraw/zinc/07/49/07/206074907.db2.gz BKCKWSNHSWTUPM-IUCAKERBSA-N 1 2 236.337 -0.355 20 0 BBADLO C[C@H]1OCC[N@@H+](CCNS(C)(=O)=O)[C@@H]1C ZINC000156220917 384871640 /nfs/dbraw/zinc/87/16/40/384871640.db2.gz BKCKWSNHSWTUPM-RKDXNWHRSA-N 1 2 236.337 -0.355 20 0 BBADLO C[C@H]1OCC[N@H+](CCNS(C)(=O)=O)[C@@H]1C ZINC000156220917 384871635 /nfs/dbraw/zinc/87/16/35/384871635.db2.gz BKCKWSNHSWTUPM-RKDXNWHRSA-N 1 2 236.337 -0.355 20 0 BBADLO C[C@H]1OCC[N@@H+](CCNS(C)(=O)=O)[C@H]1C ZINC000156221015 384872648 /nfs/dbraw/zinc/87/26/48/384872648.db2.gz BKCKWSNHSWTUPM-DTWKUNHWSA-N 1 2 236.337 -0.355 20 0 BBADLO C[C@H]1OCC[N@H+](CCNS(C)(=O)=O)[C@H]1C ZINC000156221015 384872646 /nfs/dbraw/zinc/87/26/46/384872646.db2.gz BKCKWSNHSWTUPM-DTWKUNHWSA-N 1 2 236.337 -0.355 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCN1CCCC1=O ZINC000156372024 385038771 /nfs/dbraw/zinc/03/87/71/385038771.db2.gz BETUKTPXLIQRNX-SNVBAGLBSA-N 1 2 239.319 -0.181 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@H+]1CCN1CCCC1=O ZINC000156372024 385038769 /nfs/dbraw/zinc/03/87/69/385038769.db2.gz BETUKTPXLIQRNX-SNVBAGLBSA-N 1 2 239.319 -0.181 20 0 BBADLO CC[C@H]1C(=O)NCC[N@@H+]1CCN1CCCC1=O ZINC000156372158 385038790 /nfs/dbraw/zinc/03/87/90/385038790.db2.gz BETUKTPXLIQRNX-JTQLQIEISA-N 1 2 239.319 -0.181 20 0 BBADLO CC[C@H]1C(=O)NCC[N@H+]1CCN1CCCC1=O ZINC000156372158 385038784 /nfs/dbraw/zinc/03/87/84/385038784.db2.gz BETUKTPXLIQRNX-JTQLQIEISA-N 1 2 239.319 -0.181 20 0 BBADLO C[C@@H]1CCO[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000156457912 384870779 /nfs/dbraw/zinc/87/07/79/384870779.db2.gz JDYZUKREPMDGLU-MNOVXSKESA-N 1 2 242.319 -0.140 20 0 BBADLO COC(=O)CNC(=O)C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000156468789 345162309 /nfs/dbraw/zinc/16/23/09/345162309.db2.gz BLEQMSLUDBOUQB-BDAKNGLRSA-N 1 2 244.291 -0.615 20 0 BBADLO COC(=O)CNC(=O)C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000156468789 345162307 /nfs/dbraw/zinc/16/23/07/345162307.db2.gz BLEQMSLUDBOUQB-BDAKNGLRSA-N 1 2 244.291 -0.615 20 0 BBADLO COC(=O)CNC(=O)C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156468916 345162219 /nfs/dbraw/zinc/16/22/19/345162219.db2.gz BLEQMSLUDBOUQB-IUCAKERBSA-N 1 2 244.291 -0.615 20 0 BBADLO COC(=O)CNC(=O)C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156468916 345162216 /nfs/dbraw/zinc/16/22/16/345162216.db2.gz BLEQMSLUDBOUQB-IUCAKERBSA-N 1 2 244.291 -0.615 20 0 BBADLO COC(=O)CNC(=O)C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000156469040 345162480 /nfs/dbraw/zinc/16/24/80/345162480.db2.gz BLEQMSLUDBOUQB-RKDXNWHRSA-N 1 2 244.291 -0.615 20 0 BBADLO COC(=O)CNC(=O)C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000156469040 345162477 /nfs/dbraw/zinc/16/24/77/345162477.db2.gz BLEQMSLUDBOUQB-RKDXNWHRSA-N 1 2 244.291 -0.615 20 0 BBADLO COC(=O)CNC(=O)C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000156469156 345162460 /nfs/dbraw/zinc/16/24/60/345162460.db2.gz BLEQMSLUDBOUQB-DTWKUNHWSA-N 1 2 244.291 -0.615 20 0 BBADLO COC(=O)CNC(=O)C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000156469156 345162458 /nfs/dbraw/zinc/16/24/58/345162458.db2.gz BLEQMSLUDBOUQB-DTWKUNHWSA-N 1 2 244.291 -0.615 20 0 BBADLO CNC(=O)NC(=O)C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000156480967 383873164 /nfs/dbraw/zinc/87/31/64/383873164.db2.gz LVLBNNGKSYSOLC-SFYZADRCSA-N 1 2 229.280 -0.449 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000156480967 383873155 /nfs/dbraw/zinc/87/31/55/383873155.db2.gz LVLBNNGKSYSOLC-SFYZADRCSA-N 1 2 229.280 -0.449 20 0 BBADLO CNC(=O)NC(=O)C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156481084 383873963 /nfs/dbraw/zinc/87/39/63/383873963.db2.gz LVLBNNGKSYSOLC-YUMQZZPRSA-N 1 2 229.280 -0.449 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156481084 383873954 /nfs/dbraw/zinc/87/39/54/383873954.db2.gz LVLBNNGKSYSOLC-YUMQZZPRSA-N 1 2 229.280 -0.449 20 0 BBADLO CNC(=O)NC(=O)C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000156481210 383873096 /nfs/dbraw/zinc/87/30/96/383873096.db2.gz LVLBNNGKSYSOLC-HTQZYQBOSA-N 1 2 229.280 -0.449 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000156481210 383873090 /nfs/dbraw/zinc/87/30/90/383873090.db2.gz LVLBNNGKSYSOLC-HTQZYQBOSA-N 1 2 229.280 -0.449 20 0 BBADLO CNC(=O)NC(=O)C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000156481327 385454317 /nfs/dbraw/zinc/45/43/17/385454317.db2.gz LVLBNNGKSYSOLC-JGVFFNPUSA-N 1 2 229.280 -0.449 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000156481327 385454315 /nfs/dbraw/zinc/45/43/15/385454315.db2.gz LVLBNNGKSYSOLC-JGVFFNPUSA-N 1 2 229.280 -0.449 20 0 BBADLO CC[C@@H](C)OCC(=O)N1CC[NH+](CCO)CC1 ZINC000156550796 345175090 /nfs/dbraw/zinc/17/50/90/345175090.db2.gz BYDXOGXODLUCPT-LLVKDONJSA-N 1 2 244.335 -0.062 20 0 BBADLO CC[C@H](C)OCC(=O)N1CC[NH+](CCO)CC1 ZINC000156550921 385457994 /nfs/dbraw/zinc/45/79/94/385457994.db2.gz BYDXOGXODLUCPT-NSHDSACASA-N 1 2 244.335 -0.062 20 0 BBADLO C[C@@H]1[C@H](C)OCC[N@H+]1CC(=O)NC(N)=O ZINC000156553709 384089375 /nfs/dbraw/zinc/08/93/75/384089375.db2.gz IJANMDQLQAYDEK-RQJHMYQMSA-N 1 2 215.253 -0.710 20 0 BBADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC(=O)NC(N)=O ZINC000156553709 384089371 /nfs/dbraw/zinc/08/93/71/384089371.db2.gz IJANMDQLQAYDEK-RQJHMYQMSA-N 1 2 215.253 -0.710 20 0 BBADLO C[C@@H]1OCC[N@@H+](CC(=O)NC(N)=O)[C@H]1C ZINC000156553839 384089660 /nfs/dbraw/zinc/08/96/60/384089660.db2.gz IJANMDQLQAYDEK-BQBZGAKWSA-N 1 2 215.253 -0.710 20 0 BBADLO C[C@@H]1OCC[N@H+](CC(=O)NC(N)=O)[C@H]1C ZINC000156553839 384089653 /nfs/dbraw/zinc/08/96/53/384089653.db2.gz IJANMDQLQAYDEK-BQBZGAKWSA-N 1 2 215.253 -0.710 20 0 BBADLO C[C@H]1OCC[N@@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC000156553961 387998514 /nfs/dbraw/zinc/99/85/14/387998514.db2.gz IJANMDQLQAYDEK-RNFRBKRXSA-N 1 2 215.253 -0.710 20 0 BBADLO C[C@H]1OCC[N@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC000156553961 387998512 /nfs/dbraw/zinc/99/85/12/387998512.db2.gz IJANMDQLQAYDEK-RNFRBKRXSA-N 1 2 215.253 -0.710 20 0 BBADLO C[C@H]1OCC[N@@H+](CC(=O)NC(N)=O)[C@H]1C ZINC000156554084 384088985 /nfs/dbraw/zinc/08/89/85/384088985.db2.gz IJANMDQLQAYDEK-NKWVEPMBSA-N 1 2 215.253 -0.710 20 0 BBADLO C[C@H]1OCC[N@H+](CC(=O)NC(N)=O)[C@H]1C ZINC000156554084 384088983 /nfs/dbraw/zinc/08/89/83/384088983.db2.gz IJANMDQLQAYDEK-NKWVEPMBSA-N 1 2 215.253 -0.710 20 0 BBADLO C[N@H+](Cc1nc(N)nc(N)n1)C[C@H](O)C1CC1 ZINC000156606244 538790998 /nfs/dbraw/zinc/79/09/98/538790998.db2.gz AJBDYTLCZMRUEZ-ZETCQYMHSA-N 1 2 238.295 -0.761 20 0 BBADLO C[N@@H+](Cc1nc(N)nc(N)n1)C[C@H](O)C1CC1 ZINC000156606244 538790993 /nfs/dbraw/zinc/79/09/93/538790993.db2.gz AJBDYTLCZMRUEZ-ZETCQYMHSA-N 1 2 238.295 -0.761 20 0 BBADLO C[N@H+](Cc1nc(N)nc(N)n1)C[C@@H](O)C1CC1 ZINC000156606381 538791491 /nfs/dbraw/zinc/79/14/91/538791491.db2.gz AJBDYTLCZMRUEZ-SSDOTTSWSA-N 1 2 238.295 -0.761 20 0 BBADLO C[N@@H+](Cc1nc(N)nc(N)n1)C[C@@H](O)C1CC1 ZINC000156606381 538791485 /nfs/dbraw/zinc/79/14/85/538791485.db2.gz AJBDYTLCZMRUEZ-SSDOTTSWSA-N 1 2 238.295 -0.761 20 0 BBADLO C[C@@H]1CCC[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000156633704 388012767 /nfs/dbraw/zinc/01/27/67/388012767.db2.gz IRNLRCCFKPWGFF-ZJUUUORDSA-N 1 2 239.319 -0.277 20 0 BBADLO C[C@H]1CCC[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000156633833 388013653 /nfs/dbraw/zinc/01/36/53/388013653.db2.gz IRNLRCCFKPWGFF-UWVGGRQHSA-N 1 2 239.319 -0.277 20 0 BBADLO C[C@@H]1CCC[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000156633964 388012338 /nfs/dbraw/zinc/01/23/38/388012338.db2.gz IRNLRCCFKPWGFF-NXEZZACHSA-N 1 2 239.319 -0.277 20 0 BBADLO C[C@H]1CCC[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000156634073 191116660 /nfs/dbraw/zinc/11/66/60/191116660.db2.gz IRNLRCCFKPWGFF-VHSXEESVSA-N 1 2 239.319 -0.277 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)N[C@@]2(C)CCOC2)C1 ZINC000156784523 388034556 /nfs/dbraw/zinc/03/45/56/388034556.db2.gz AVSVMIDURBGRCB-ONGXEEELSA-N 1 2 228.292 -0.388 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@]2(C)CCOC2)C1 ZINC000156784523 388034555 /nfs/dbraw/zinc/03/45/55/388034555.db2.gz AVSVMIDURBGRCB-ONGXEEELSA-N 1 2 228.292 -0.388 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)N[C@]2(C)CCOC2)C1 ZINC000156784652 384878073 /nfs/dbraw/zinc/87/80/73/384878073.db2.gz AVSVMIDURBGRCB-GXSJLCMTSA-N 1 2 228.292 -0.388 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)N[C@]2(C)CCOC2)C1 ZINC000156784652 384878070 /nfs/dbraw/zinc/87/80/70/384878070.db2.gz AVSVMIDURBGRCB-GXSJLCMTSA-N 1 2 228.292 -0.388 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CCOC2)C1 ZINC000156784789 388034244 /nfs/dbraw/zinc/03/42/44/388034244.db2.gz AVSVMIDURBGRCB-KOLCDFICSA-N 1 2 228.292 -0.388 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CCOC2)C1 ZINC000156784789 388034238 /nfs/dbraw/zinc/03/42/38/388034238.db2.gz AVSVMIDURBGRCB-KOLCDFICSA-N 1 2 228.292 -0.388 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)N[C@]2(C)CCOC2)C1 ZINC000156784929 384875611 /nfs/dbraw/zinc/87/56/11/384875611.db2.gz AVSVMIDURBGRCB-MWLCHTKSSA-N 1 2 228.292 -0.388 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@]2(C)CCOC2)C1 ZINC000156784929 384875603 /nfs/dbraw/zinc/87/56/03/384875603.db2.gz AVSVMIDURBGRCB-MWLCHTKSSA-N 1 2 228.292 -0.388 20 0 BBADLO CNc1cc(N2CCN3C(=O)NC[C@@H]3C2)[nH+]cn1 ZINC000156787498 640504176 /nfs/dbraw/zinc/50/41/76/640504176.db2.gz FCUPCDZQYPFMMA-MRVPVSSYSA-N 1 2 248.290 -0.268 20 0 BBADLO CNc1cc(N2CCN3C(=O)NC[C@@H]3C2)nc[nH+]1 ZINC000156787498 640504165 /nfs/dbraw/zinc/50/41/65/640504165.db2.gz FCUPCDZQYPFMMA-MRVPVSSYSA-N 1 2 248.290 -0.268 20 0 BBADLO CNc1cc(N2CCN3C(=O)NC[C@H]3C2)[nH+]cn1 ZINC000156787654 640503994 /nfs/dbraw/zinc/50/39/94/640503994.db2.gz FCUPCDZQYPFMMA-QMMMGPOBSA-N 1 2 248.290 -0.268 20 0 BBADLO CNc1cc(N2CCN3C(=O)NC[C@H]3C2)nc[nH+]1 ZINC000156787654 640503989 /nfs/dbraw/zinc/50/39/89/640503989.db2.gz FCUPCDZQYPFMMA-QMMMGPOBSA-N 1 2 248.290 -0.268 20 0 BBADLO CCCNC(=O)C[N@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000156798202 384965301 /nfs/dbraw/zinc/96/53/01/384965301.db2.gz PKVDRPSKDXHSTN-MNOVXSKESA-N 1 2 244.335 -0.016 20 0 BBADLO CCCNC(=O)C[N@@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000156798202 384965293 /nfs/dbraw/zinc/96/52/93/384965293.db2.gz PKVDRPSKDXHSTN-MNOVXSKESA-N 1 2 244.335 -0.016 20 0 BBADLO CCCNC(=O)C[N@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000156798337 384963334 /nfs/dbraw/zinc/96/33/34/384963334.db2.gz PKVDRPSKDXHSTN-GHMZBOCLSA-N 1 2 244.335 -0.016 20 0 BBADLO CCCNC(=O)C[N@@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000156798337 384963331 /nfs/dbraw/zinc/96/33/31/384963331.db2.gz PKVDRPSKDXHSTN-GHMZBOCLSA-N 1 2 244.335 -0.016 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+](CCO)Cc1cccnc1 ZINC000156821146 326243548 /nfs/dbraw/zinc/24/35/48/326243548.db2.gz IFICIHKDAFURJB-VIFPVBQESA-N 1 2 223.276 -0.250 20 0 BBADLO C[C@@H](C(N)=O)[N@H+](CCO)Cc1cccnc1 ZINC000156821146 326243546 /nfs/dbraw/zinc/24/35/46/326243546.db2.gz IFICIHKDAFURJB-VIFPVBQESA-N 1 2 223.276 -0.250 20 0 BBADLO C[C@H](C(N)=O)[N@@H+](CCO)Cc1cccnc1 ZINC000156821291 326243554 /nfs/dbraw/zinc/24/35/54/326243554.db2.gz IFICIHKDAFURJB-SECBINFHSA-N 1 2 223.276 -0.250 20 0 BBADLO C[C@H](C(N)=O)[N@H+](CCO)Cc1cccnc1 ZINC000156821291 326243552 /nfs/dbraw/zinc/24/35/52/326243552.db2.gz IFICIHKDAFURJB-SECBINFHSA-N 1 2 223.276 -0.250 20 0 BBADLO CC(C)NC(=O)C[N@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000156836389 384984898 /nfs/dbraw/zinc/98/48/98/384984898.db2.gz ZATROHTVMRDCEG-MNOVXSKESA-N 1 2 244.335 -0.017 20 0 BBADLO CC(C)NC(=O)C[N@@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000156836389 384984896 /nfs/dbraw/zinc/98/48/96/384984896.db2.gz ZATROHTVMRDCEG-MNOVXSKESA-N 1 2 244.335 -0.017 20 0 BBADLO CC(C)NC(=O)C[N@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000156836546 384986019 /nfs/dbraw/zinc/98/60/19/384986019.db2.gz ZATROHTVMRDCEG-GHMZBOCLSA-N 1 2 244.335 -0.017 20 0 BBADLO CC(C)NC(=O)C[N@@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000156836546 384986015 /nfs/dbraw/zinc/98/60/15/384986015.db2.gz ZATROHTVMRDCEG-GHMZBOCLSA-N 1 2 244.335 -0.017 20 0 BBADLO COC(=O)[C@H](C)[NH2+]C[C@]1(OC)CCOC1 ZINC000156847855 371505980 /nfs/dbraw/zinc/50/59/80/371505980.db2.gz BZDKQAVFQVQNNQ-WCBMZHEXSA-N 1 2 217.265 -0.057 20 0 BBADLO COC(=O)[C@@H](C)[NH2+]C[C@]1(OC)CCOC1 ZINC000156848001 371506586 /nfs/dbraw/zinc/50/65/86/371506586.db2.gz BZDKQAVFQVQNNQ-PSASIEDQSA-N 1 2 217.265 -0.057 20 0 BBADLO COC(=O)[C@H](C)[NH2+]C[C@@]1(OC)CCOC1 ZINC000156848134 371506518 /nfs/dbraw/zinc/50/65/18/371506518.db2.gz BZDKQAVFQVQNNQ-WPRPVWTQSA-N 1 2 217.265 -0.057 20 0 BBADLO COC(=O)[C@@H](C)[NH2+]C[C@@]1(OC)CCOC1 ZINC000156848265 371506212 /nfs/dbraw/zinc/50/62/12/371506212.db2.gz BZDKQAVFQVQNNQ-SCZZXKLOSA-N 1 2 217.265 -0.057 20 0 BBADLO CCNC(=O)C[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000156851510 326245170 /nfs/dbraw/zinc/24/51/70/326245170.db2.gz YHHLEVBRPNQTGQ-UWVGGRQHSA-N 1 2 239.319 -0.135 20 0 BBADLO CCNC(=O)C[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000156851510 326245168 /nfs/dbraw/zinc/24/51/68/326245168.db2.gz YHHLEVBRPNQTGQ-UWVGGRQHSA-N 1 2 239.319 -0.135 20 0 BBADLO CCNC(=O)C[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000156851675 326245181 /nfs/dbraw/zinc/24/51/81/326245181.db2.gz YHHLEVBRPNQTGQ-ZJUUUORDSA-N 1 2 239.319 -0.135 20 0 BBADLO CCNC(=O)C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000156851675 326245180 /nfs/dbraw/zinc/24/51/80/326245180.db2.gz YHHLEVBRPNQTGQ-ZJUUUORDSA-N 1 2 239.319 -0.135 20 0 BBADLO CNC(=O)C[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000156858605 326245278 /nfs/dbraw/zinc/24/52/78/326245278.db2.gz ZLEJQYQILIUXCU-IUCAKERBSA-N 1 2 225.292 -0.525 20 0 BBADLO CNC(=O)C[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000156858605 326245276 /nfs/dbraw/zinc/24/52/76/326245276.db2.gz ZLEJQYQILIUXCU-IUCAKERBSA-N 1 2 225.292 -0.525 20 0 BBADLO CNC(=O)C[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000156858760 326245300 /nfs/dbraw/zinc/24/53/00/326245300.db2.gz ZLEJQYQILIUXCU-BDAKNGLRSA-N 1 2 225.292 -0.525 20 0 BBADLO CNC(=O)C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000156858760 326245299 /nfs/dbraw/zinc/24/52/99/326245299.db2.gz ZLEJQYQILIUXCU-BDAKNGLRSA-N 1 2 225.292 -0.525 20 0 BBADLO C[C@H](O)C[C@@H]1COCC[N@H+]1CC(=O)NC1CC1 ZINC000156968535 136213777 /nfs/dbraw/zinc/21/37/77/136213777.db2.gz KKBVWGINMCBLBJ-GXSJLCMTSA-N 1 2 242.319 -0.263 20 0 BBADLO C[C@H](O)C[C@@H]1COCC[N@@H+]1CC(=O)NC1CC1 ZINC000156968535 136213776 /nfs/dbraw/zinc/21/37/76/136213776.db2.gz KKBVWGINMCBLBJ-GXSJLCMTSA-N 1 2 242.319 -0.263 20 0 BBADLO C[C@@H](O)C[C@@H]1COCC[N@H+]1CC(=O)NC1CC1 ZINC000156968681 136213622 /nfs/dbraw/zinc/21/36/22/136213622.db2.gz KKBVWGINMCBLBJ-MWLCHTKSSA-N 1 2 242.319 -0.263 20 0 BBADLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1CC(=O)NC1CC1 ZINC000156968681 136213621 /nfs/dbraw/zinc/21/36/21/136213621.db2.gz KKBVWGINMCBLBJ-MWLCHTKSSA-N 1 2 242.319 -0.263 20 0 BBADLO C[C@H](O)C[C@H]1COCC[N@H+]1CC(=O)NC1CC1 ZINC000156968817 136213714 /nfs/dbraw/zinc/21/37/14/136213714.db2.gz KKBVWGINMCBLBJ-ONGXEEELSA-N 1 2 242.319 -0.263 20 0 BBADLO C[C@H](O)C[C@H]1COCC[N@@H+]1CC(=O)NC1CC1 ZINC000156968817 136213713 /nfs/dbraw/zinc/21/37/13/136213713.db2.gz KKBVWGINMCBLBJ-ONGXEEELSA-N 1 2 242.319 -0.263 20 0 BBADLO C[C@@H](O)C[C@H]1COCC[N@H+]1CC(=O)NC1CC1 ZINC000156968970 136213686 /nfs/dbraw/zinc/21/36/86/136213686.db2.gz KKBVWGINMCBLBJ-KOLCDFICSA-N 1 2 242.319 -0.263 20 0 BBADLO C[C@@H](O)C[C@H]1COCC[N@@H+]1CC(=O)NC1CC1 ZINC000156968970 136213685 /nfs/dbraw/zinc/21/36/85/136213685.db2.gz KKBVWGINMCBLBJ-KOLCDFICSA-N 1 2 242.319 -0.263 20 0 BBADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCC(C)=O ZINC000156987670 640558741 /nfs/dbraw/zinc/55/87/41/640558741.db2.gz VCBOBNGCYZKDDA-IUCAKERBSA-N 1 2 215.249 -0.426 20 0 BBADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCC(C)=O ZINC000156987670 640558736 /nfs/dbraw/zinc/55/87/36/640558736.db2.gz VCBOBNGCYZKDDA-IUCAKERBSA-N 1 2 215.249 -0.426 20 0 BBADLO COCCNC(=O)CNc1cc(C)[nH+]cn1 ZINC000157139057 385081941 /nfs/dbraw/zinc/08/19/41/385081941.db2.gz ZQUCSKTZIZAGHO-UHFFFAOYSA-N 1 2 224.264 -0.040 20 0 BBADLO COC(=O)C[C@@H]1C[N@@H+](C[C@H](C)O)CCO1 ZINC000157241949 397934062 /nfs/dbraw/zinc/93/40/62/397934062.db2.gz ZEUWSCCRYFCCTP-DTWKUNHWSA-N 1 2 217.265 -0.369 20 0 BBADLO COC(=O)C[C@@H]1C[N@H+](C[C@H](C)O)CCO1 ZINC000157241949 397934059 /nfs/dbraw/zinc/93/40/59/397934059.db2.gz ZEUWSCCRYFCCTP-DTWKUNHWSA-N 1 2 217.265 -0.369 20 0 BBADLO COC(=O)C[C@@H]1C[N@@H+](C[C@@H](C)O)CCO1 ZINC000157242099 397933938 /nfs/dbraw/zinc/93/39/38/397933938.db2.gz ZEUWSCCRYFCCTP-RKDXNWHRSA-N 1 2 217.265 -0.369 20 0 BBADLO COC(=O)C[C@@H]1C[N@H+](C[C@@H](C)O)CCO1 ZINC000157242099 397933936 /nfs/dbraw/zinc/93/39/36/397933936.db2.gz ZEUWSCCRYFCCTP-RKDXNWHRSA-N 1 2 217.265 -0.369 20 0 BBADLO COC(=O)C[C@@H]1C[N@@H+](CC(OC)OC)CCO1 ZINC000157253283 385115722 /nfs/dbraw/zinc/11/57/22/385115722.db2.gz TVEDJQVCLUNTTB-SECBINFHSA-N 1 2 247.291 -0.131 20 0 BBADLO COC(=O)C[C@@H]1C[N@H+](CC(OC)OC)CCO1 ZINC000157253283 385115718 /nfs/dbraw/zinc/11/57/18/385115718.db2.gz TVEDJQVCLUNTTB-SECBINFHSA-N 1 2 247.291 -0.131 20 0 BBADLO COC(=O)C[C@H]1C[N@@H+](CC(OC)OC)CCO1 ZINC000157253440 385117415 /nfs/dbraw/zinc/11/74/15/385117415.db2.gz TVEDJQVCLUNTTB-VIFPVBQESA-N 1 2 247.291 -0.131 20 0 BBADLO COC(=O)C[C@H]1C[N@H+](CC(OC)OC)CCO1 ZINC000157253440 385117411 /nfs/dbraw/zinc/11/74/11/385117411.db2.gz TVEDJQVCLUNTTB-VIFPVBQESA-N 1 2 247.291 -0.131 20 0 BBADLO CCN(CC)C(=O)C[NH2+]Cc1cn(C)nn1 ZINC000157339159 640666519 /nfs/dbraw/zinc/66/65/19/640666519.db2.gz KKCAFLAPHDOTIN-UHFFFAOYSA-N 1 2 225.296 -0.227 20 0 BBADLO C[C@@H]1CCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000157339927 386074181 /nfs/dbraw/zinc/07/41/81/386074181.db2.gz QQBNRJBGJGNRDH-SECBINFHSA-N 1 2 225.292 -0.571 20 0 BBADLO C[C@H]1CCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000157340074 386074278 /nfs/dbraw/zinc/07/42/78/386074278.db2.gz QQBNRJBGJGNRDH-VIFPVBQESA-N 1 2 225.292 -0.571 20 0 BBADLO COCCNC(=O)CNc1cc[nH+]c(C)n1 ZINC000157351745 174321156 /nfs/dbraw/zinc/32/11/56/174321156.db2.gz HDNUOYQHBGMGBW-UHFFFAOYSA-N 1 2 224.264 -0.040 20 0 BBADLO CNC(=O)C[N@@H+](C)CCNC(=O)C(C)C ZINC000157470976 385503705 /nfs/dbraw/zinc/50/37/05/385503705.db2.gz URCWLTNJCIZXDI-UHFFFAOYSA-N 1 2 215.297 -0.564 20 0 BBADLO CNC(=O)C[N@H+](C)CCNC(=O)C(C)C ZINC000157470976 385503703 /nfs/dbraw/zinc/50/37/03/385503703.db2.gz URCWLTNJCIZXDI-UHFFFAOYSA-N 1 2 215.297 -0.564 20 0 BBADLO CC(C)C(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC000157472621 385187783 /nfs/dbraw/zinc/18/77/83/385187783.db2.gz WLIYAWRWIMRTFB-UHFFFAOYSA-N 1 2 229.324 -0.221 20 0 BBADLO CC(C)C(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC000157472621 385187775 /nfs/dbraw/zinc/18/77/75/385187775.db2.gz WLIYAWRWIMRTFB-UHFFFAOYSA-N 1 2 229.324 -0.221 20 0 BBADLO C[C@H](O)C[C@@H]1COCC[N@H+]1CC(=O)N(C)C ZINC000157481432 385190960 /nfs/dbraw/zinc/19/09/60/385190960.db2.gz FGESURGKAWDUEV-VHSXEESVSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@H](O)C[C@@H]1COCC[N@@H+]1CC(=O)N(C)C ZINC000157481432 385190957 /nfs/dbraw/zinc/19/09/57/385190957.db2.gz FGESURGKAWDUEV-VHSXEESVSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@@H](O)C[C@@H]1COCC[N@H+]1CC(=O)N(C)C ZINC000157481580 385191197 /nfs/dbraw/zinc/19/11/97/385191197.db2.gz FGESURGKAWDUEV-NXEZZACHSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1CC(=O)N(C)C ZINC000157481580 385191193 /nfs/dbraw/zinc/19/11/93/385191193.db2.gz FGESURGKAWDUEV-NXEZZACHSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@H](O)C[C@H]1COCC[N@H+]1CC(=O)N(C)C ZINC000157481730 385192446 /nfs/dbraw/zinc/19/24/46/385192446.db2.gz FGESURGKAWDUEV-UWVGGRQHSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@H](O)C[C@H]1COCC[N@@H+]1CC(=O)N(C)C ZINC000157481730 385192442 /nfs/dbraw/zinc/19/24/42/385192442.db2.gz FGESURGKAWDUEV-UWVGGRQHSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@@H](O)C[C@H]1COCC[N@H+]1CC(=O)N(C)C ZINC000157481860 385190977 /nfs/dbraw/zinc/19/09/77/385190977.db2.gz FGESURGKAWDUEV-ZJUUUORDSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@@H](O)C[C@H]1COCC[N@@H+]1CC(=O)N(C)C ZINC000157481860 385190971 /nfs/dbraw/zinc/19/09/71/385190971.db2.gz FGESURGKAWDUEV-ZJUUUORDSA-N 1 2 230.308 -0.454 20 0 BBADLO COC(=O)[C@H](C)[N@@H+](C)CC(C)(CO)CO ZINC000157496443 346382960 /nfs/dbraw/zinc/38/29/60/346382960.db2.gz AKNRDOVXCRKIKC-QMMMGPOBSA-N 1 2 219.281 -0.529 20 0 BBADLO COC(=O)[C@H](C)[N@H+](C)CC(C)(CO)CO ZINC000157496443 346382958 /nfs/dbraw/zinc/38/29/58/346382958.db2.gz AKNRDOVXCRKIKC-QMMMGPOBSA-N 1 2 219.281 -0.529 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+](C)CC(C)(CO)CO ZINC000157496611 342734811 /nfs/dbraw/zinc/73/48/11/342734811.db2.gz AKNRDOVXCRKIKC-MRVPVSSYSA-N 1 2 219.281 -0.529 20 0 BBADLO COC(=O)[C@@H](C)[N@H+](C)CC(C)(CO)CO ZINC000157496611 342734810 /nfs/dbraw/zinc/73/48/10/342734810.db2.gz AKNRDOVXCRKIKC-MRVPVSSYSA-N 1 2 219.281 -0.529 20 0 BBADLO C[N@@H+](CC(C)(CO)CO)[C@@H]1CCOC1=O ZINC000157513152 641620660 /nfs/dbraw/zinc/62/06/60/641620660.db2.gz UJXPYAPZUGIOLU-MRVPVSSYSA-N 1 2 217.265 -0.775 20 0 BBADLO C[N@H+](CC(C)(CO)CO)[C@@H]1CCOC1=O ZINC000157513152 641620654 /nfs/dbraw/zinc/62/06/54/641620654.db2.gz UJXPYAPZUGIOLU-MRVPVSSYSA-N 1 2 217.265 -0.775 20 0 BBADLO C[N@@H+](CC(C)(CO)CO)[C@H]1CCOC1=O ZINC000157513297 641620152 /nfs/dbraw/zinc/62/01/52/641620152.db2.gz UJXPYAPZUGIOLU-QMMMGPOBSA-N 1 2 217.265 -0.775 20 0 BBADLO C[N@H+](CC(C)(CO)CO)[C@H]1CCOC1=O ZINC000157513297 641620144 /nfs/dbraw/zinc/62/01/44/641620144.db2.gz UJXPYAPZUGIOLU-QMMMGPOBSA-N 1 2 217.265 -0.775 20 0 BBADLO CCOC(=O)C[N@@H+](C)CC(C)(CO)CO ZINC000157520415 353453061 /nfs/dbraw/zinc/45/30/61/353453061.db2.gz PISOVEXUKQTPTO-UHFFFAOYSA-N 1 2 219.281 -0.528 20 0 BBADLO CCOC(=O)C[N@H+](C)CC(C)(CO)CO ZINC000157520415 353453060 /nfs/dbraw/zinc/45/30/60/353453060.db2.gz PISOVEXUKQTPTO-UHFFFAOYSA-N 1 2 219.281 -0.528 20 0 BBADLO COC(=O)C[N@@H+](C)CC(C)(CO)CO ZINC000157531085 386500532 /nfs/dbraw/zinc/50/05/32/386500532.db2.gz FJABMLZPBHCYHF-UHFFFAOYSA-N 1 2 205.254 -0.918 20 0 BBADLO COC(=O)C[N@H+](C)CC(C)(CO)CO ZINC000157531085 386500525 /nfs/dbraw/zinc/50/05/25/386500525.db2.gz FJABMLZPBHCYHF-UHFFFAOYSA-N 1 2 205.254 -0.918 20 0 BBADLO CCOC(=O)[C@@H](C)[N@@H+](C)CC(C)(CO)CO ZINC000157532853 326280869 /nfs/dbraw/zinc/28/08/69/326280869.db2.gz FXYLQJWBPRKILD-SECBINFHSA-N 1 2 233.308 -0.139 20 0 BBADLO CCOC(=O)[C@@H](C)[N@H+](C)CC(C)(CO)CO ZINC000157532853 326280868 /nfs/dbraw/zinc/28/08/68/326280868.db2.gz FXYLQJWBPRKILD-SECBINFHSA-N 1 2 233.308 -0.139 20 0 BBADLO 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CCNC(=O)C[N@@H+](C)CCNC(=O)C(C)C ZINC000157741754 326293839 /nfs/dbraw/zinc/29/38/39/326293839.db2.gz BDCZWRUTIKNPDR-UHFFFAOYSA-N 1 2 229.324 -0.174 20 0 BBADLO CCNC(=O)C[N@H+](C)CCNC(=O)C(C)C ZINC000157741754 326293837 /nfs/dbraw/zinc/29/38/37/326293837.db2.gz BDCZWRUTIKNPDR-UHFFFAOYSA-N 1 2 229.324 -0.174 20 0 BBADLO COC(=O)C[C@H]1CSCC[N@H+]1[C@@H](C)C(N)=O ZINC000157921573 385536326 /nfs/dbraw/zinc/53/63/26/385536326.db2.gz AMCXTDYAZYENCY-YUMQZZPRSA-N 1 2 246.332 -0.159 20 0 BBADLO COC(=O)C[C@H]1CSCC[N@@H+]1[C@@H](C)C(N)=O ZINC000157921573 385536321 /nfs/dbraw/zinc/53/63/21/385536321.db2.gz AMCXTDYAZYENCY-YUMQZZPRSA-N 1 2 246.332 -0.159 20 0 BBADLO COC(=O)C[C@H]1CSCC[N@H+]1[C@H](C)C(N)=O ZINC000157921712 385311244 /nfs/dbraw/zinc/31/12/44/385311244.db2.gz AMCXTDYAZYENCY-SFYZADRCSA-N 1 2 246.332 -0.159 20 0 BBADLO COC(=O)C[C@H]1CSCC[N@@H+]1[C@H](C)C(N)=O ZINC000157921712 385311240 /nfs/dbraw/zinc/31/12/40/385311240.db2.gz AMCXTDYAZYENCY-SFYZADRCSA-N 1 2 246.332 -0.159 20 0 BBADLO 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20 0 BBADLO OC[C@@H]1COCC[N@H+]1CCn1cccn1 ZINC000159251464 488014954 /nfs/dbraw/zinc/01/49/54/488014954.db2.gz UBRXDPATYAMRHD-SNVBAGLBSA-N 1 2 211.265 -0.424 20 0 BBADLO OC[C@@H]1COCC[N@@H+]1CCn1cccn1 ZINC000159251464 488014951 /nfs/dbraw/zinc/01/49/51/488014951.db2.gz UBRXDPATYAMRHD-SNVBAGLBSA-N 1 2 211.265 -0.424 20 0 BBADLO OC[C@@H]1COCC[N@H+]1CCn1ccnc1 ZINC000159286172 538876330 /nfs/dbraw/zinc/87/63/30/538876330.db2.gz AHVSWVYOMFGEIP-SNVBAGLBSA-N 1 2 211.265 -0.424 20 0 BBADLO OC[C@@H]1COCC[N@@H+]1CCn1ccnc1 ZINC000159286172 538876326 /nfs/dbraw/zinc/87/63/26/538876326.db2.gz AHVSWVYOMFGEIP-SNVBAGLBSA-N 1 2 211.265 -0.424 20 0 BBADLO COCCOCC[N@H+]1CCOC[C@H]1CO ZINC000159288571 488019948 /nfs/dbraw/zinc/01/99/48/488019948.db2.gz XNMFAJFGBJWHNV-SNVBAGLBSA-N 1 2 219.281 -0.658 20 0 BBADLO COCCOCC[N@@H+]1CCOC[C@H]1CO ZINC000159288571 488019942 /nfs/dbraw/zinc/01/99/42/488019942.db2.gz XNMFAJFGBJWHNV-SNVBAGLBSA-N 1 2 219.281 -0.658 20 0 BBADLO Cn1c[nH+]cc1CN1CCOC[C@H]1CO ZINC000159295295 488019541 /nfs/dbraw/zinc/01/95/41/488019541.db2.gz QCLHVTRNKBKFLW-SNVBAGLBSA-N 1 2 211.265 -0.387 20 0 BBADLO C[C@@H]1CCO[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000160284699 176191322 /nfs/dbraw/zinc/19/13/22/176191322.db2.gz YJVISSULWIHXDO-MNOVXSKESA-N 1 2 242.319 -0.452 20 0 BBADLO Cn1nccc1C[NH+]1CCC[C@@H]1C(N)=O ZINC000160352974 636276544 /nfs/dbraw/zinc/27/65/44/636276544.db2.gz JJTZBMFMZLIPKI-SECBINFHSA-N 1 2 208.265 -0.130 20 0 BBADLO COCCCNC(=O)C[N@@H+](C)CC(OC)OC ZINC000160524945 643668405 /nfs/dbraw/zinc/66/84/05/643668405.db2.gz HLXWYIFQVLEWMB-UHFFFAOYSA-N 1 2 248.323 -0.310 20 0 BBADLO COCCCNC(=O)C[N@H+](C)CC(OC)OC ZINC000160524945 643668391 /nfs/dbraw/zinc/66/83/91/643668391.db2.gz HLXWYIFQVLEWMB-UHFFFAOYSA-N 1 2 248.323 -0.310 20 0 BBADLO CN1CC[C@H]([N@H+]2CCC3(C2)OCCO3)C1=O ZINC000160725277 711809788 /nfs/dbraw/zinc/80/97/88/711809788.db2.gz LCIYAOMHXFRDEO-VIFPVBQESA-N 1 2 226.276 -0.334 20 0 BBADLO CN1CC[C@H]([N@@H+]2CCC3(C2)OCCO3)C1=O ZINC000160725277 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ZINC000163729741 372040766 /nfs/dbraw/zinc/04/07/66/372040766.db2.gz ANUKHZPXKWOMHQ-UTLUCORTSA-N 1 2 229.276 -0.226 20 0 BBADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H]1CCCO1 ZINC000163729741 372040761 /nfs/dbraw/zinc/04/07/61/372040761.db2.gz ANUKHZPXKWOMHQ-UTLUCORTSA-N 1 2 229.276 -0.226 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1C[C@@H]1CCCO1 ZINC000163729875 640414265 /nfs/dbraw/zinc/41/42/65/640414265.db2.gz ANUKHZPXKWOMHQ-KXUCPTDWSA-N 1 2 229.276 -0.226 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1C[C@@H]1CCCO1 ZINC000163729875 640414261 /nfs/dbraw/zinc/41/42/61/640414261.db2.gz ANUKHZPXKWOMHQ-KXUCPTDWSA-N 1 2 229.276 -0.226 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)CN1Cc1c[nH+]cn1C ZINC000163735687 385041930 /nfs/dbraw/zinc/04/19/30/385041930.db2.gz MTYAPSYWOBXARM-NXEZZACHSA-N 1 2 239.275 -0.472 20 0 BBADLO COC(=O)[C@H]1C[C@H](O)CN1Cc1c[nH+]cn1C ZINC000163735818 385038366 /nfs/dbraw/zinc/03/83/66/385038366.db2.gz MTYAPSYWOBXARM-VHSXEESVSA-N 1 2 239.275 -0.472 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)CN1Cc1[nH+]ccn1C ZINC000163746770 345613421 /nfs/dbraw/zinc/61/34/21/345613421.db2.gz VCVNQFQNIWLRMV-RKDXNWHRSA-N 1 2 239.275 -0.472 20 0 BBADLO COC(=O)[C@H]1C[C@H](O)CN1Cc1[nH+]ccn1C ZINC000163746915 345614848 /nfs/dbraw/zinc/61/48/48/345614848.db2.gz VCVNQFQNIWLRMV-DTWKUNHWSA-N 1 2 239.275 -0.472 20 0 BBADLO CC1(C)C[N@@H+](CC(=O)N2CCC2)C[C@H](CO)O1 ZINC000163763930 135085542 /nfs/dbraw/zinc/08/55/42/135085542.db2.gz HLPOEGIMVDHIQV-SNVBAGLBSA-N 1 2 242.319 -0.310 20 0 BBADLO CC1(C)C[N@H+](CC(=O)N2CCC2)C[C@H](CO)O1 ZINC000163763930 135085540 /nfs/dbraw/zinc/08/55/40/135085540.db2.gz HLPOEGIMVDHIQV-SNVBAGLBSA-N 1 2 242.319 -0.310 20 0 BBADLO CC1(C)C[N@@H+](CC(=O)N2CCC2)C[C@@H](CO)O1 ZINC000163764055 135085624 /nfs/dbraw/zinc/08/56/24/135085624.db2.gz HLPOEGIMVDHIQV-JTQLQIEISA-N 1 2 242.319 -0.310 20 0 BBADLO CC1(C)C[N@H+](CC(=O)N2CCC2)C[C@@H](CO)O1 ZINC000163764055 135085622 /nfs/dbraw/zinc/08/56/22/135085622.db2.gz HLPOEGIMVDHIQV-JTQLQIEISA-N 1 2 242.319 -0.310 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CC(OC)OC ZINC000163767560 135096679 /nfs/dbraw/zinc/09/66/79/135096679.db2.gz CLEDSYGMQWXGPN-HTQZYQBOSA-N 1 2 233.264 -0.787 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CC(OC)OC ZINC000163767560 135096677 /nfs/dbraw/zinc/09/66/77/135096677.db2.gz CLEDSYGMQWXGPN-HTQZYQBOSA-N 1 2 233.264 -0.787 20 0 BBADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CC(OC)OC ZINC000163767682 135096501 /nfs/dbraw/zinc/09/65/01/135096501.db2.gz CLEDSYGMQWXGPN-JGVFFNPUSA-N 1 2 233.264 -0.787 20 0 BBADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CC(OC)OC ZINC000163767682 135096499 /nfs/dbraw/zinc/09/64/99/135096499.db2.gz CLEDSYGMQWXGPN-JGVFFNPUSA-N 1 2 233.264 -0.787 20 0 BBADLO CCCNC(=O)C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000163774816 351935936 /nfs/dbraw/zinc/93/59/36/351935936.db2.gz VRLDHYNDPMKQHH-SNVBAGLBSA-N 1 2 244.335 -0.016 20 0 BBADLO CCCNC(=O)C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000163774816 351935932 /nfs/dbraw/zinc/93/59/32/351935932.db2.gz VRLDHYNDPMKQHH-SNVBAGLBSA-N 1 2 244.335 -0.016 20 0 BBADLO CCCNC(=O)C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000163774956 351946224 /nfs/dbraw/zinc/94/62/24/351946224.db2.gz VRLDHYNDPMKQHH-JTQLQIEISA-N 1 2 244.335 -0.016 20 0 BBADLO CCCNC(=O)C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000163774956 351946220 /nfs/dbraw/zinc/94/62/20/351946220.db2.gz VRLDHYNDPMKQHH-JTQLQIEISA-N 1 2 244.335 -0.016 20 0 BBADLO COC(=O)CCC[N@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000163776421 351999705 /nfs/dbraw/zinc/99/97/05/351999705.db2.gz AFAYNUIPGZQRJB-RKDXNWHRSA-N 1 2 245.275 -0.452 20 0 BBADLO COC(=O)CCC[N@@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000163776421 351999702 /nfs/dbraw/zinc/99/97/02/351999702.db2.gz AFAYNUIPGZQRJB-RKDXNWHRSA-N 1 2 245.275 -0.452 20 0 BBADLO COC(=O)CCC[N@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000163776558 385879477 /nfs/dbraw/zinc/87/94/77/385879477.db2.gz AFAYNUIPGZQRJB-DTWKUNHWSA-N 1 2 245.275 -0.452 20 0 BBADLO COC(=O)CCC[N@@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000163776558 385879472 /nfs/dbraw/zinc/87/94/72/385879472.db2.gz AFAYNUIPGZQRJB-DTWKUNHWSA-N 1 2 245.275 -0.452 20 0 BBADLO COCCOCC[N@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000163784844 386627604 /nfs/dbraw/zinc/62/76/04/386627604.db2.gz PYSFSJMGQQIGHO-NXEZZACHSA-N 1 2 247.291 -0.742 20 0 BBADLO COCCOCC[N@@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000163784844 386627596 /nfs/dbraw/zinc/62/75/96/386627596.db2.gz PYSFSJMGQQIGHO-NXEZZACHSA-N 1 2 247.291 -0.742 20 0 BBADLO COCCOCC[N@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000163784974 398102782 /nfs/dbraw/zinc/10/27/82/398102782.db2.gz PYSFSJMGQQIGHO-VHSXEESVSA-N 1 2 247.291 -0.742 20 0 BBADLO COCCOCC[N@@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000163784974 398102779 /nfs/dbraw/zinc/10/27/79/398102779.db2.gz PYSFSJMGQQIGHO-VHSXEESVSA-N 1 2 247.291 -0.742 20 0 BBADLO CC1(C)C[N@@H+](CC(=O)NC2CC2)C[C@H](CO)O1 ZINC000163788452 352369186 /nfs/dbraw/zinc/36/91/86/352369186.db2.gz XNAMDEUMCZGGSI-SNVBAGLBSA-N 1 2 242.319 -0.263 20 0 BBADLO CC1(C)C[N@H+](CC(=O)NC2CC2)C[C@H](CO)O1 ZINC000163788452 352369182 /nfs/dbraw/zinc/36/91/82/352369182.db2.gz XNAMDEUMCZGGSI-SNVBAGLBSA-N 1 2 242.319 -0.263 20 0 BBADLO CC1(C)C[N@@H+](CC(=O)NC2CC2)C[C@@H](CO)O1 ZINC000163788576 136290040 /nfs/dbraw/zinc/29/00/40/136290040.db2.gz XNAMDEUMCZGGSI-JTQLQIEISA-N 1 2 242.319 -0.263 20 0 BBADLO CC1(C)C[N@H+](CC(=O)NC2CC2)C[C@@H](CO)O1 ZINC000163788576 136290039 /nfs/dbraw/zinc/29/00/39/136290039.db2.gz XNAMDEUMCZGGSI-JTQLQIEISA-N 1 2 242.319 -0.263 20 0 BBADLO COC(=O)[C@@H]1C[C@H](O)CN1CCn1cc[nH+]c1 ZINC000163807939 536528492 /nfs/dbraw/zinc/52/84/92/536528492.db2.gz KQWVJJPDRWCYOO-UWVGGRQHSA-N 1 2 239.275 -0.509 20 0 BBADLO COC(=O)[C@H]1C[C@H](O)CN1CCn1cc[nH+]c1 ZINC000163808029 135208123 /nfs/dbraw/zinc/20/81/23/135208123.db2.gz KQWVJJPDRWCYOO-VHSXEESVSA-N 1 2 239.275 -0.509 20 0 BBADLO COC(=O)[C@@H]1C[C@@H](O)CN1CCn1cc[nH+]c1 ZINC000163808122 135207992 /nfs/dbraw/zinc/20/79/92/135207992.db2.gz KQWVJJPDRWCYOO-ZJUUUORDSA-N 1 2 239.275 -0.509 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)CN1CCn1cc[nH+]c1 ZINC000163808219 135207335 /nfs/dbraw/zinc/20/73/35/135207335.db2.gz KQWVJJPDRWCYOO-NXEZZACHSA-N 1 2 239.275 -0.509 20 0 BBADLO CC(C)NC(=O)C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000163819545 135207556 /nfs/dbraw/zinc/20/75/56/135207556.db2.gz LAQVXYPURGQBJZ-SNVBAGLBSA-N 1 2 244.335 -0.017 20 0 BBADLO CC(C)NC(=O)C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000163819545 135207555 /nfs/dbraw/zinc/20/75/55/135207555.db2.gz LAQVXYPURGQBJZ-SNVBAGLBSA-N 1 2 244.335 -0.017 20 0 BBADLO CC(C)NC(=O)C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000163819671 135207497 /nfs/dbraw/zinc/20/74/97/135207497.db2.gz LAQVXYPURGQBJZ-JTQLQIEISA-N 1 2 244.335 -0.017 20 0 BBADLO CC(C)NC(=O)C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000163819671 135207495 /nfs/dbraw/zinc/20/74/95/135207495.db2.gz LAQVXYPURGQBJZ-JTQLQIEISA-N 1 2 244.335 -0.017 20 0 BBADLO CN1CC[C@@H]([N@H+]2C[C@H](CO)OC(C)(C)C2)C1=O ZINC000163829326 536452206 /nfs/dbraw/zinc/45/22/06/536452206.db2.gz NZCHDOSLRWDHAI-NXEZZACHSA-N 1 2 242.319 -0.311 20 0 BBADLO CN1CC[C@@H]([N@@H+]2C[C@H](CO)OC(C)(C)C2)C1=O ZINC000163829326 536452204 /nfs/dbraw/zinc/45/22/04/536452204.db2.gz NZCHDOSLRWDHAI-NXEZZACHSA-N 1 2 242.319 -0.311 20 0 BBADLO CN1CC[C@@H]([N@H+]2C[C@@H](CO)OC(C)(C)C2)C1=O ZINC000163829452 536452859 /nfs/dbraw/zinc/45/28/59/536452859.db2.gz NZCHDOSLRWDHAI-VHSXEESVSA-N 1 2 242.319 -0.311 20 0 BBADLO CN1CC[C@@H]([N@@H+]2C[C@@H](CO)OC(C)(C)C2)C1=O ZINC000163829452 536452857 /nfs/dbraw/zinc/45/28/57/536452857.db2.gz NZCHDOSLRWDHAI-VHSXEESVSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000163859748 135207320 /nfs/dbraw/zinc/20/73/20/135207320.db2.gz QMKSXZIXYJBUEG-VHSXEESVSA-N 1 2 244.335 -0.065 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000163859748 135207319 /nfs/dbraw/zinc/20/73/19/135207319.db2.gz QMKSXZIXYJBUEG-VHSXEESVSA-N 1 2 244.335 -0.065 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000163859886 135207777 /nfs/dbraw/zinc/20/77/77/135207777.db2.gz QMKSXZIXYJBUEG-NXEZZACHSA-N 1 2 244.335 -0.065 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000163859886 135207775 /nfs/dbraw/zinc/20/77/75/135207775.db2.gz QMKSXZIXYJBUEG-NXEZZACHSA-N 1 2 244.335 -0.065 20 0 BBADLO CCN(C)C(=O)C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000163864692 135207467 /nfs/dbraw/zinc/20/74/67/135207467.db2.gz QCQLEUBTKZRKEK-SNVBAGLBSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000163864692 135207465 /nfs/dbraw/zinc/20/74/65/135207465.db2.gz QCQLEUBTKZRKEK-SNVBAGLBSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(C)C(=O)C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000163864804 535721131 /nfs/dbraw/zinc/72/11/31/535721131.db2.gz QCQLEUBTKZRKEK-JTQLQIEISA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000163864804 535721125 /nfs/dbraw/zinc/72/11/25/535721125.db2.gz QCQLEUBTKZRKEK-JTQLQIEISA-N 1 2 244.335 -0.064 20 0 BBADLO CO[C@@H](C)CN1CC[NH+](CCO)CC1 ZINC000164048247 388138602 /nfs/dbraw/zinc/13/86/02/388138602.db2.gz NGRLLKLRICPMFI-JTQLQIEISA-N 1 2 202.298 -0.369 20 0 BBADLO CO[C@H](C)CN1CC[NH+](CCO)CC1 ZINC000164048355 388138120 /nfs/dbraw/zinc/13/81/20/388138120.db2.gz NGRLLKLRICPMFI-SNVBAGLBSA-N 1 2 202.298 -0.369 20 0 BBADLO C[C@@H]1CN(S(N)(=O)=O)C[C@H](C)[N@@H+]1C ZINC000164129859 135213508 /nfs/dbraw/zinc/21/35/08/135213508.db2.gz DVHUJNBQDIODOG-KNVOCYPGSA-N 1 2 207.299 -0.786 20 0 BBADLO C[C@@H]1CN(S(N)(=O)=O)C[C@H](C)[N@H+]1C ZINC000164129859 135213506 /nfs/dbraw/zinc/21/35/06/135213506.db2.gz DVHUJNBQDIODOG-KNVOCYPGSA-N 1 2 207.299 -0.786 20 0 BBADLO C[C@H]1CN(S(N)(=O)=O)C[C@H](C)[NH+]1C ZINC000164129984 135212902 /nfs/dbraw/zinc/21/29/02/135212902.db2.gz DVHUJNBQDIODOG-BQBZGAKWSA-N 1 2 207.299 -0.786 20 0 BBADLO C[C@@H]1CN(S(N)(=O)=O)C[C@@H](C)[NH+]1C ZINC000164130116 135213487 /nfs/dbraw/zinc/21/34/87/135213487.db2.gz DVHUJNBQDIODOG-RNFRBKRXSA-N 1 2 207.299 -0.786 20 0 BBADLO COCCN(CCO)C(=O)CCn1cc[nH+]c1 ZINC000164140503 135214410 /nfs/dbraw/zinc/21/44/10/135214410.db2.gz BBYGPJSTBZASTK-UHFFFAOYSA-N 1 2 241.291 -0.260 20 0 BBADLO CNC(=S)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000164428825 346605017 /nfs/dbraw/zinc/60/50/17/346605017.db2.gz JJYNUQDDBBYBGJ-SSDOTTSWSA-N 1 2 203.311 -0.589 20 0 BBADLO CNC(=S)NC[C@@H]1C[N@H+](C)CCO1 ZINC000164428825 346605013 /nfs/dbraw/zinc/60/50/13/346605013.db2.gz JJYNUQDDBBYBGJ-SSDOTTSWSA-N 1 2 203.311 -0.589 20 0 BBADLO CNC(=S)NC[C@H]1C[N@@H+](C)CCO1 ZINC000164428946 346604526 /nfs/dbraw/zinc/60/45/26/346604526.db2.gz JJYNUQDDBBYBGJ-ZETCQYMHSA-N 1 2 203.311 -0.589 20 0 BBADLO CNC(=S)NC[C@H]1C[N@H+](C)CCO1 ZINC000164428946 346604524 /nfs/dbraw/zinc/60/45/24/346604524.db2.gz JJYNUQDDBBYBGJ-ZETCQYMHSA-N 1 2 203.311 -0.589 20 0 BBADLO C[C@@H](C(=O)NCC(F)(F)C[NH3+])S(C)(=O)=O ZINC000164883593 388249094 /nfs/dbraw/zinc/24/90/94/388249094.db2.gz OWMNNIAZCXYIOA-YFKPBYRVSA-N 1 2 244.263 -0.870 20 0 BBADLO C[C@H](C(=O)NCC(F)(F)C[NH3+])S(C)(=O)=O ZINC000164883715 386353939 /nfs/dbraw/zinc/35/39/39/386353939.db2.gz OWMNNIAZCXYIOA-RXMQYKEDSA-N 1 2 244.263 -0.870 20 0 BBADLO CS(=O)(=O)CCC(=O)NCC(F)(F)C[NH3+] ZINC000164907957 487850763 /nfs/dbraw/zinc/85/07/63/487850763.db2.gz MEMMHVONFAYLDS-UHFFFAOYSA-N 1 2 244.263 -0.869 20 0 BBADLO [NH3+]CC(F)(F)CNS(=O)(=O)c1c[nH]cn1 ZINC000164914187 385322198 /nfs/dbraw/zinc/32/21/98/385322198.db2.gz ZNJRAMSVPDHUSX-UHFFFAOYSA-N 1 2 240.235 -0.718 20 0 BBADLO [NH3+]CC(F)(F)CNS(=O)(=O)CC1CC1 ZINC000164914331 385322340 /nfs/dbraw/zinc/32/23/40/385322340.db2.gz SJSWNQQCBWGPFM-UHFFFAOYSA-N 1 2 228.264 -0.090 20 0 BBADLO [NH3+]CC(F)(F)CNS(=O)(=O)N1CCCC1 ZINC000164914693 385323330 /nfs/dbraw/zinc/32/33/30/385323330.db2.gz LYHNNMMYVRCECG-UHFFFAOYSA-N 1 2 243.279 -0.489 20 0 BBADLO [NH3+]CC(F)(F)CNS(=O)(=O)C1CC1 ZINC000164915283 385322495 /nfs/dbraw/zinc/32/24/95/385322495.db2.gz FLCRGNMPHFKNCQ-UHFFFAOYSA-N 1 2 214.237 -0.338 20 0 BBADLO COCCS(=O)(=O)NCC(F)(F)C[NH3+] ZINC000164915766 385323659 /nfs/dbraw/zinc/32/36/59/385323659.db2.gz QEXOUDHADFBACB-UHFFFAOYSA-N 1 2 232.252 -0.854 20 0 BBADLO CCCS(=O)(=O)NCC(F)(F)C[NH3+] ZINC000164916144 385323080 /nfs/dbraw/zinc/32/30/80/385323080.db2.gz CURNEZVFGVKQEL-UHFFFAOYSA-N 1 2 216.253 -0.090 20 0 BBADLO CC(C)N(C)S(=O)(=O)NCC(F)(F)C[NH3+] ZINC000164916819 385322586 /nfs/dbraw/zinc/32/25/86/385322586.db2.gz KOQKMMSSMHGLEE-UHFFFAOYSA-N 1 2 245.295 -0.245 20 0 BBADLO COCCCS(=O)(=O)NCC(F)(F)C[NH3+] ZINC000164916965 385321808 /nfs/dbraw/zinc/32/18/08/385321808.db2.gz AZHOMPZYYUFDAE-UHFFFAOYSA-N 1 2 246.279 -0.464 20 0 BBADLO CCN(CC)S(=O)(=O)NCC(F)(F)C[NH3+] ZINC000164917630 388249870 /nfs/dbraw/zinc/24/98/70/388249870.db2.gz OACJLPHVTPUBGC-UHFFFAOYSA-N 1 2 245.295 -0.243 20 0 BBADLO CCOCCS(=O)(=O)NCC(F)(F)C[NH3+] ZINC000164920663 385323521 /nfs/dbraw/zinc/32/35/21/385323521.db2.gz XXTGRBWWVQEPLY-UHFFFAOYSA-N 1 2 246.279 -0.464 20 0 BBADLO O=c1cc(NCC[NH+]2CCOCC2)nc[nH]1 ZINC000165177599 640546653 /nfs/dbraw/zinc/54/66/53/640546653.db2.gz ULPNDOIARJDQRN-UHFFFAOYSA-N 1 2 224.264 -0.486 20 0 BBADLO Cc1ccncc1NC(=O)CN1CC[NH2+]CC1=O ZINC000165526286 203384648 /nfs/dbraw/zinc/38/46/48/203384648.db2.gz IJDVATFJYOLBAV-UHFFFAOYSA-N 1 2 248.286 -0.240 20 0 BBADLO COc1c(N)nc[nH+]c1N1CC[C@H](CO)C1 ZINC000166172913 488058862 /nfs/dbraw/zinc/05/88/62/488058862.db2.gz XJDFVBHHDMIXAA-ZETCQYMHSA-N 1 2 224.264 -0.114 20 0 BBADLO COc1c(N)[nH+]cnc1N1CC[C@H](CO)C1 ZINC000166172913 488058859 /nfs/dbraw/zinc/05/88/59/488058859.db2.gz XJDFVBHHDMIXAA-ZETCQYMHSA-N 1 2 224.264 -0.114 20 0 BBADLO COc1c(N)nc[nH+]c1N1CC[C@@H](CO)C1 ZINC000166173053 488058872 /nfs/dbraw/zinc/05/88/72/488058872.db2.gz XJDFVBHHDMIXAA-SSDOTTSWSA-N 1 2 224.264 -0.114 20 0 BBADLO COc1c(N)[nH+]cnc1N1CC[C@@H](CO)C1 ZINC000166173053 488058870 /nfs/dbraw/zinc/05/88/70/488058870.db2.gz XJDFVBHHDMIXAA-SSDOTTSWSA-N 1 2 224.264 -0.114 20 0 BBADLO COCC[N@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000166340477 388254570 /nfs/dbraw/zinc/25/45/70/388254570.db2.gz CODRVVOJVJYEJS-HTQZYQBOSA-N 1 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-0.047 20 0 BBADLO C[C@@H]1[C@H](C)OCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000166995130 355952293 /nfs/dbraw/zinc/95/22/93/355952293.db2.gz MTNXSQQFHANAFD-VWYCJHECSA-N 1 2 242.319 -0.047 20 0 BBADLO C[C@@H]1OCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC000166995242 355951887 /nfs/dbraw/zinc/95/18/87/355951887.db2.gz MTNXSQQFHANAFD-DCAQKATOSA-N 1 2 242.319 -0.047 20 0 BBADLO C[C@@H]1OCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC000166995242 355951884 /nfs/dbraw/zinc/95/18/84/355951884.db2.gz MTNXSQQFHANAFD-DCAQKATOSA-N 1 2 242.319 -0.047 20 0 BBADLO C[C@H]1OCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H]1C ZINC000166995329 355951587 /nfs/dbraw/zinc/95/15/87/355951587.db2.gz MTNXSQQFHANAFD-MXWKQRLJSA-N 1 2 242.319 -0.047 20 0 BBADLO C[C@H]1OCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H]1C ZINC000166995329 355951582 /nfs/dbraw/zinc/95/15/82/355951582.db2.gz MTNXSQQFHANAFD-MXWKQRLJSA-N 1 2 242.319 -0.047 20 0 BBADLO C[C@H]1OCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC000166995433 355952116 /nfs/dbraw/zinc/95/21/16/355952116.db2.gz MTNXSQQFHANAFD-AXFHLTTASA-N 1 2 242.319 -0.047 20 0 BBADLO C[C@H]1OCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC000166995433 355952114 /nfs/dbraw/zinc/95/21/14/355952114.db2.gz MTNXSQQFHANAFD-AXFHLTTASA-N 1 2 242.319 -0.047 20 0 BBADLO CCOC(=O)C[C@H](O)C[N@H+]1CCNC(=O)[C@@H]1C ZINC000167017522 346696235 /nfs/dbraw/zinc/69/62/35/346696235.db2.gz OAWRWEGRCQUXEH-IUCAKERBSA-N 1 2 244.291 -0.879 20 0 BBADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000167017522 346696231 /nfs/dbraw/zinc/69/62/31/346696231.db2.gz OAWRWEGRCQUXEH-IUCAKERBSA-N 1 2 244.291 -0.879 20 0 BBADLO CCOC(=O)C[C@@H](O)C[N@H+]1CCNC(=O)[C@@H]1C ZINC000167017636 346183546 /nfs/dbraw/zinc/18/35/46/346183546.db2.gz OAWRWEGRCQUXEH-DTWKUNHWSA-N 1 2 244.291 -0.879 20 0 BBADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000167017636 346183544 /nfs/dbraw/zinc/18/35/44/346183544.db2.gz OAWRWEGRCQUXEH-DTWKUNHWSA-N 1 2 244.291 -0.879 20 0 BBADLO CCOC(=O)C[C@H](O)C[N@H+]1CCCNC(=O)C1 ZINC000167028218 633124130 /nfs/dbraw/zinc/12/41/30/633124130.db2.gz BFSUJRHGBIDTIC-VIFPVBQESA-N 1 2 244.291 -0.878 20 0 BBADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCCNC(=O)C1 ZINC000167028218 633124126 /nfs/dbraw/zinc/12/41/26/633124126.db2.gz BFSUJRHGBIDTIC-VIFPVBQESA-N 1 2 244.291 -0.878 20 0 BBADLO CCOC(=O)C[C@@H](O)C[N@H+]1CCCNC(=O)C1 ZINC000167028326 633123722 /nfs/dbraw/zinc/12/37/22/633123722.db2.gz BFSUJRHGBIDTIC-SECBINFHSA-N 1 2 244.291 -0.878 20 0 BBADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCCNC(=O)C1 ZINC000167028326 633123717 /nfs/dbraw/zinc/12/37/17/633123717.db2.gz BFSUJRHGBIDTIC-SECBINFHSA-N 1 2 244.291 -0.878 20 0 BBADLO O=C(CO)N1CCN(c2cccc[nH+]2)CC1 ZINC000167552867 346276230 /nfs/dbraw/zinc/27/62/30/346276230.db2.gz IHRFFOCGLAZUSD-UHFFFAOYSA-N 1 2 221.260 -0.278 20 0 BBADLO CCC[N@H+](CC(=O)OCC)C[C@H](O)CO ZINC000167724314 633132531 /nfs/dbraw/zinc/13/25/31/633132531.db2.gz DLMNIBXBHPVEBZ-VIFPVBQESA-N 1 2 219.281 -0.385 20 0 BBADLO CCC[N@@H+](CC(=O)OCC)C[C@H](O)CO ZINC000167724314 633132526 /nfs/dbraw/zinc/13/25/26/633132526.db2.gz DLMNIBXBHPVEBZ-VIFPVBQESA-N 1 2 219.281 -0.385 20 0 BBADLO CCC[N@H+](CC(=O)OCC)C[C@@H](O)CO ZINC000167724419 640742135 /nfs/dbraw/zinc/74/21/35/640742135.db2.gz DLMNIBXBHPVEBZ-SECBINFHSA-N 1 2 219.281 -0.385 20 0 BBADLO CCC[N@@H+](CC(=O)OCC)C[C@@H](O)CO ZINC000167724419 640742131 /nfs/dbraw/zinc/74/21/31/640742131.db2.gz DLMNIBXBHPVEBZ-SECBINFHSA-N 1 2 219.281 -0.385 20 0 BBADLO CCOC(=O)C[N@@H+](C[C@H](O)CO)C(C)C ZINC000167724605 134153558 /nfs/dbraw/zinc/15/35/58/134153558.db2.gz UTHOUGYLAROXMH-VIFPVBQESA-N 1 2 219.281 -0.387 20 0 BBADLO CCOC(=O)C[N@H+](C[C@H](O)CO)C(C)C ZINC000167724605 134153557 /nfs/dbraw/zinc/15/35/57/134153557.db2.gz UTHOUGYLAROXMH-VIFPVBQESA-N 1 2 219.281 -0.387 20 0 BBADLO CCOC(=O)C[N@@H+](C[C@@H](O)CO)C(C)C ZINC000167724713 535668610 /nfs/dbraw/zinc/66/86/10/535668610.db2.gz UTHOUGYLAROXMH-SECBINFHSA-N 1 2 219.281 -0.387 20 0 BBADLO CCOC(=O)C[N@H+](C[C@@H](O)CO)C(C)C ZINC000167724713 535668606 /nfs/dbraw/zinc/66/86/06/535668606.db2.gz UTHOUGYLAROXMH-SECBINFHSA-N 1 2 219.281 -0.387 20 0 BBADLO COC(=O)[C@H]1CCCC[N@H+]1C[C@@H](O)CO ZINC000167726730 640742519 /nfs/dbraw/zinc/74/25/19/640742519.db2.gz TXHALXPWNBPEDV-RKDXNWHRSA-N 1 2 217.265 -0.633 20 0 BBADLO COC(=O)[C@H]1CCCC[N@@H+]1C[C@@H](O)CO ZINC000167726730 640742517 /nfs/dbraw/zinc/74/25/17/640742517.db2.gz TXHALXPWNBPEDV-RKDXNWHRSA-N 1 2 217.265 -0.633 20 0 BBADLO CC[C@H]([NH2+]CCN1CCOCC1)C(=O)OC ZINC000168233089 535901134 /nfs/dbraw/zinc/90/11/34/535901134.db2.gz VIMBHKAPNFXKFG-JTQLQIEISA-N 1 2 230.308 -0.140 20 0 BBADLO CC[C@@H]([NH2+]CCN1CCOCC1)C(=O)OC ZINC000168233167 134160543 /nfs/dbraw/zinc/16/05/43/134160543.db2.gz VIMBHKAPNFXKFG-SNVBAGLBSA-N 1 2 230.308 -0.140 20 0 BBADLO CCOC(=O)COCC[N@H+]1CCOC[C@H]1CO ZINC000168266468 346731962 /nfs/dbraw/zinc/73/19/62/346731962.db2.gz YSXJPOJXJZQADC-SNVBAGLBSA-N 1 2 247.291 -0.741 20 0 BBADLO CCOC(=O)COCC[N@@H+]1CCOC[C@H]1CO ZINC000168266468 346731961 /nfs/dbraw/zinc/73/19/61/346731961.db2.gz YSXJPOJXJZQADC-SNVBAGLBSA-N 1 2 247.291 -0.741 20 0 BBADLO CC[C@H]([NH2+]CCCC(N)=O)C(=O)OC ZINC000168305761 535900273 /nfs/dbraw/zinc/90/02/73/535900273.db2.gz ZNGFOOSZVMTKGR-ZETCQYMHSA-N 1 2 202.254 -0.207 20 0 BBADLO CC[C@@H]([NH2+]CCCC(N)=O)C(=O)OC ZINC000168305871 535803469 /nfs/dbraw/zinc/80/34/69/535803469.db2.gz ZNGFOOSZVMTKGR-SSDOTTSWSA-N 1 2 202.254 -0.207 20 0 BBADLO CC[C@H]([NH2+]CCc1ncn(C)n1)C(=O)OC ZINC000168389274 134197492 /nfs/dbraw/zinc/19/74/92/134197492.db2.gz TVTISLUJCZHFKO-QMMMGPOBSA-N 1 2 226.280 -0.101 20 0 BBADLO CC[C@@H]([NH2+]CCc1ncn(C)n1)C(=O)OC ZINC000168389382 535804305 /nfs/dbraw/zinc/80/43/05/535804305.db2.gz TVTISLUJCZHFKO-MRVPVSSYSA-N 1 2 226.280 -0.101 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@H+]1CCN1CCNC1=O ZINC000168604879 134231611 /nfs/dbraw/zinc/23/16/11/134231611.db2.gz CGYCZUOGJISYGY-ZJUUUORDSA-N 1 2 243.307 -0.907 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CCN1CCNC1=O ZINC000168604879 134231610 /nfs/dbraw/zinc/23/16/10/134231610.db2.gz CGYCZUOGJISYGY-ZJUUUORDSA-N 1 2 243.307 -0.907 20 0 BBADLO C[C@H]1CO[C@H](CO)C[N@H+]1CCN1CCNC1=O ZINC000168604975 134231504 /nfs/dbraw/zinc/23/15/04/134231504.db2.gz CGYCZUOGJISYGY-UWVGGRQHSA-N 1 2 243.307 -0.907 20 0 BBADLO C[C@H]1CO[C@H](CO)C[N@@H+]1CCN1CCNC1=O ZINC000168604975 134231503 /nfs/dbraw/zinc/23/15/03/134231503.db2.gz CGYCZUOGJISYGY-UWVGGRQHSA-N 1 2 243.307 -0.907 20 0 BBADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CCN1CCNC1=O ZINC000168605073 134231532 /nfs/dbraw/zinc/23/15/32/134231532.db2.gz CGYCZUOGJISYGY-NXEZZACHSA-N 1 2 243.307 -0.907 20 0 BBADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCN1CCNC1=O ZINC000168605073 134231531 /nfs/dbraw/zinc/23/15/31/134231531.db2.gz CGYCZUOGJISYGY-NXEZZACHSA-N 1 2 243.307 -0.907 20 0 BBADLO C[C@H]1CO[C@@H](CO)C[N@H+]1CCN1CCNC1=O ZINC000168605178 134231717 /nfs/dbraw/zinc/23/17/17/134231717.db2.gz CGYCZUOGJISYGY-VHSXEESVSA-N 1 2 243.307 -0.907 20 0 BBADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CCN1CCNC1=O ZINC000168605178 134231716 /nfs/dbraw/zinc/23/17/16/134231716.db2.gz CGYCZUOGJISYGY-VHSXEESVSA-N 1 2 243.307 -0.907 20 0 BBADLO C[C@@H]1CO[C@H](CO)CN1CC[NH+]1CCOCC1 ZINC000168638933 134236543 /nfs/dbraw/zinc/23/65/43/134236543.db2.gz FCZZLMJNXPTQKD-NEPJUHHUSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@H]1CO[C@H](CO)CN1CC[NH+]1CCOCC1 ZINC000168639025 134236398 /nfs/dbraw/zinc/23/63/98/134236398.db2.gz FCZZLMJNXPTQKD-RYUDHWBXSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@@H]1CO[C@@H](CO)CN1CC[NH+]1CCOCC1 ZINC000168639122 134236566 /nfs/dbraw/zinc/23/65/66/134236566.db2.gz FCZZLMJNXPTQKD-VXGBXAGGSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@H]1CO[C@@H](CO)CN1CC[NH+]1CCOCC1 ZINC000168639211 134236502 /nfs/dbraw/zinc/23/65/02/134236502.db2.gz FCZZLMJNXPTQKD-NWDGAFQWSA-N 1 2 244.335 -0.600 20 0 BBADLO C[NH+]1CCN(C(=O)c2ccc(C(N)=O)nc2)CC1 ZINC000168644815 387887478 /nfs/dbraw/zinc/88/74/78/387887478.db2.gz ZDVBYVZRMDPHJF-UHFFFAOYSA-N 1 2 248.286 -0.432 20 0 BBADLO CO[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000168655929 387894436 /nfs/dbraw/zinc/89/44/36/387894436.db2.gz OZEHGVADRISGEP-DTWKUNHWSA-N 1 2 216.281 -0.532 20 0 BBADLO CO[C@@H](C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000168655929 387894433 /nfs/dbraw/zinc/89/44/33/387894433.db2.gz OZEHGVADRISGEP-DTWKUNHWSA-N 1 2 216.281 -0.532 20 0 BBADLO CO[C@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000168656034 136269688 /nfs/dbraw/zinc/26/96/88/136269688.db2.gz OZEHGVADRISGEP-RKDXNWHRSA-N 1 2 216.281 -0.532 20 0 BBADLO CO[C@H](C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000168656034 136269687 /nfs/dbraw/zinc/26/96/87/136269687.db2.gz OZEHGVADRISGEP-RKDXNWHRSA-N 1 2 216.281 -0.532 20 0 BBADLO CO[C@@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000168656113 536858495 /nfs/dbraw/zinc/85/84/95/536858495.db2.gz OZEHGVADRISGEP-IUCAKERBSA-N 1 2 216.281 -0.532 20 0 BBADLO CO[C@@H](C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000168656113 536858488 /nfs/dbraw/zinc/85/84/88/536858488.db2.gz OZEHGVADRISGEP-IUCAKERBSA-N 1 2 216.281 -0.532 20 0 BBADLO CO[C@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000168656207 387894069 /nfs/dbraw/zinc/89/40/69/387894069.db2.gz OZEHGVADRISGEP-BDAKNGLRSA-N 1 2 216.281 -0.532 20 0 BBADLO CO[C@H](C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000168656207 387894065 /nfs/dbraw/zinc/89/40/65/387894065.db2.gz OZEHGVADRISGEP-BDAKNGLRSA-N 1 2 216.281 -0.532 20 0 BBADLO Cc1cncc(NC(=O)CN2CC[NH2+]CC2=O)c1 ZINC000168684762 385380584 /nfs/dbraw/zinc/38/05/84/385380584.db2.gz IJFJAVCOBMMKNM-UHFFFAOYSA-N 1 2 248.286 -0.240 20 0 BBADLO C[C@@H](C(N)=O)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000168745824 134247617 /nfs/dbraw/zinc/24/76/17/134247617.db2.gz QZJLXGAFCSOQNY-JGVFFNPUSA-N 1 2 211.265 -0.833 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000168745824 134247616 /nfs/dbraw/zinc/24/76/16/134247616.db2.gz QZJLXGAFCSOQNY-JGVFFNPUSA-N 1 2 211.265 -0.833 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000168745914 134247842 /nfs/dbraw/zinc/24/78/42/134247842.db2.gz QZJLXGAFCSOQNY-HTQZYQBOSA-N 1 2 211.265 -0.833 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000168745914 134247841 /nfs/dbraw/zinc/24/78/41/134247841.db2.gz QZJLXGAFCSOQNY-HTQZYQBOSA-N 1 2 211.265 -0.833 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000168746028 535453362 /nfs/dbraw/zinc/45/33/62/535453362.db2.gz QMJCBFSXDZPHPC-BDAKNGLRSA-N 1 2 225.292 -0.443 20 0 BBADLO CC[C@@H](C(N)=O)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000168746028 535453359 /nfs/dbraw/zinc/45/33/59/535453359.db2.gz QMJCBFSXDZPHPC-BDAKNGLRSA-N 1 2 225.292 -0.443 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000168746111 134247597 /nfs/dbraw/zinc/24/75/97/134247597.db2.gz QMJCBFSXDZPHPC-RKDXNWHRSA-N 1 2 225.292 -0.443 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000168746111 134247596 /nfs/dbraw/zinc/24/75/96/134247596.db2.gz QMJCBFSXDZPHPC-RKDXNWHRSA-N 1 2 225.292 -0.443 20 0 BBADLO O=c1ccccn1CC[N@@H+]1CCOC[C@H]1CO ZINC000168849199 487546287 /nfs/dbraw/zinc/54/62/87/487546287.db2.gz MORBYTYRXBQIQI-LLVKDONJSA-N 1 2 238.287 -0.459 20 0 BBADLO O=c1ccccn1CC[N@H+]1CCOC[C@H]1CO ZINC000168849199 487546284 /nfs/dbraw/zinc/54/62/84/487546284.db2.gz MORBYTYRXBQIQI-LLVKDONJSA-N 1 2 238.287 -0.459 20 0 BBADLO COC(=O)[C@@H]1CN(Cc2c[nH+]cn2C)CCO1 ZINC000168888403 134247501 /nfs/dbraw/zinc/24/75/01/134247501.db2.gz POGVPZYBLOFXPW-JTQLQIEISA-N 1 2 239.275 -0.206 20 0 BBADLO COC(=O)[C@H]1CN(Cc2c[nH+]cn2C)CCO1 ZINC000168888499 134247400 /nfs/dbraw/zinc/24/74/00/134247400.db2.gz POGVPZYBLOFXPW-SNVBAGLBSA-N 1 2 239.275 -0.206 20 0 BBADLO CCC[C@H](O)C(=O)N1CC[NH+](C)CC1 ZINC000169163459 643636223 /nfs/dbraw/zinc/63/62/23/643636223.db2.gz CVHQEUVSKHZXLV-VIFPVBQESA-N 1 2 200.282 -0.079 20 0 BBADLO CS(=O)(=O)N1CC[NH+](CCCF)CC1 ZINC000169221585 365101366 /nfs/dbraw/zinc/10/13/66/365101366.db2.gz IQDTVNJOEFFWPI-UHFFFAOYSA-N 1 2 224.301 -0.077 20 0 BBADLO O=C(CC[NH+]1CCOCC1)N1CCC(=O)CC1 ZINC000169819691 640878883 /nfs/dbraw/zinc/87/88/83/640878883.db2.gz FFPUDFIETTXACO-UHFFFAOYSA-N 1 2 240.303 -0.100 20 0 BBADLO O=C(Cc1cc[nH]n1)NCC[NH+]1CCOCC1 ZINC000170000182 397961338 /nfs/dbraw/zinc/96/13/38/397961338.db2.gz AGGONYUIXGHOPJ-UHFFFAOYSA-N 1 2 238.291 -0.599 20 0 BBADLO CC[C@@](C)(OC)C(=O)N1CC[NH+](CCO)CC1 ZINC000170229476 357270299 /nfs/dbraw/zinc/27/02/99/357270299.db2.gz FTDKIVVLKAYJBS-GFCCVEGCSA-N 1 2 244.335 -0.062 20 0 BBADLO CC[C@](C)(OC)C(=O)N1CC[NH+](CCO)CC1 ZINC000170229478 357270450 /nfs/dbraw/zinc/27/04/50/357270450.db2.gz FTDKIVVLKAYJBS-LBPRGKRZSA-N 1 2 244.335 -0.062 20 0 BBADLO Cc1cnc(C(=O)N2CC[NH+](CCO)CC2)o1 ZINC000170242217 388468054 /nfs/dbraw/zinc/46/80/54/388468054.db2.gz VWBRSBCHDIFGBJ-UHFFFAOYSA-N 1 2 239.275 -0.267 20 0 BBADLO CCC1(C(=O)N2CC[NH+](CCO)CC2)COC1 ZINC000170244739 640894043 /nfs/dbraw/zinc/89/40/43/640894043.db2.gz SPGPKXVOMPSQHT-UHFFFAOYSA-N 1 2 242.319 -0.451 20 0 BBADLO NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000170314896 398011991 /nfs/dbraw/zinc/01/19/91/398011991.db2.gz LMCHXCQTMKMSGY-UHFFFAOYSA-N 1 2 234.259 -0.785 20 0 BBADLO CNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000170390788 388085957 /nfs/dbraw/zinc/08/59/57/388085957.db2.gz FVXUJIVJXSFNGS-UHFFFAOYSA-N 1 2 248.286 -0.524 20 0 BBADLO O=C(Nc1ccon1)N1CC[NH+](CCO)CC1 ZINC000170588563 182389001 /nfs/dbraw/zinc/38/90/01/182389001.db2.gz HMRFERKDUFUANB-UHFFFAOYSA-N 1 2 240.263 -0.184 20 0 BBADLO C[C@@H](C(N)=O)[NH+]1CCN(c2cccnn2)CC1 ZINC000170650396 134252807 /nfs/dbraw/zinc/25/28/07/134252807.db2.gz IFMYDTLMWJIQSY-VIFPVBQESA-N 1 2 235.291 -0.528 20 0 BBADLO C[C@H](C(N)=O)[NH+]1CCN(c2cccnn2)CC1 ZINC000170650397 134253129 /nfs/dbraw/zinc/25/31/29/134253129.db2.gz IFMYDTLMWJIQSY-SECBINFHSA-N 1 2 235.291 -0.528 20 0 BBADLO CN(C)C(=O)C[NH+]1CCN(c2cccnn2)CC1 ZINC000170650595 385437057 /nfs/dbraw/zinc/43/70/57/385437057.db2.gz IYAXUPRQGGXTOZ-UHFFFAOYSA-N 1 2 249.318 -0.313 20 0 BBADLO NC(=O)C[NH+]1CCN(c2cccnn2)CC1 ZINC000170650759 134253228 /nfs/dbraw/zinc/25/32/28/134253228.db2.gz NEHSRWMDHFLECP-UHFFFAOYSA-N 1 2 221.264 -0.916 20 0 BBADLO CCOCCS(=O)(=O)NCCn1cc[nH+]c1 ZINC000170655820 385438453 /nfs/dbraw/zinc/43/84/53/385438453.db2.gz HEQCOWOBCQJQQF-UHFFFAOYSA-N 1 2 247.320 -0.161 20 0 BBADLO C[N@H+]1CCO[C@H](CNC(=O)c2csnn2)C1 ZINC000170683935 173107224 /nfs/dbraw/zinc/10/72/24/173107224.db2.gz ORKDBPZGTSTIBN-SSDOTTSWSA-N 1 2 242.304 -0.402 20 0 BBADLO C[N@@H+]1CCO[C@H](CNC(=O)c2csnn2)C1 ZINC000170683935 173107221 /nfs/dbraw/zinc/10/72/21/173107221.db2.gz ORKDBPZGTSTIBN-SSDOTTSWSA-N 1 2 242.304 -0.402 20 0 BBADLO C[N@H+]1CCO[C@@H](CNC(=O)c2csnn2)C1 ZINC000170683937 173102542 /nfs/dbraw/zinc/10/25/42/173102542.db2.gz ORKDBPZGTSTIBN-ZETCQYMHSA-N 1 2 242.304 -0.402 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNC(=O)c2csnn2)C1 ZINC000170683937 173102539 /nfs/dbraw/zinc/10/25/39/173102539.db2.gz ORKDBPZGTSTIBN-ZETCQYMHSA-N 1 2 242.304 -0.402 20 0 BBADLO CC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C(N)=O ZINC000170698066 134252866 /nfs/dbraw/zinc/25/28/66/134252866.db2.gz DQGWVEXJUMBCJY-DTWKUNHWSA-N 1 2 227.308 -0.149 20 0 BBADLO CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000170698066 134252865 /nfs/dbraw/zinc/25/28/65/134252865.db2.gz DQGWVEXJUMBCJY-DTWKUNHWSA-N 1 2 227.308 -0.149 20 0 BBADLO COCCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000170739890 134252842 /nfs/dbraw/zinc/25/28/42/134252842.db2.gz GBJRZBMCIJHTRW-UHFFFAOYSA-N 1 2 245.323 -0.394 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2nc(N)nc(N)n2)CCCO1 ZINC000170771810 346446718 /nfs/dbraw/zinc/44/67/18/346446718.db2.gz BFNHSADCQUWINF-SSDOTTSWSA-N 1 2 238.295 -0.353 20 0 BBADLO C[C@@H]1C[N@H+](Cc2nc(N)nc(N)n2)CCCO1 ZINC000170771810 346446715 /nfs/dbraw/zinc/44/67/15/346446715.db2.gz BFNHSADCQUWINF-SSDOTTSWSA-N 1 2 238.295 -0.353 20 0 BBADLO C[C@H]1C[N@@H+](Cc2nc(N)nc(N)n2)CCCO1 ZINC000170771812 346447040 /nfs/dbraw/zinc/44/70/40/346447040.db2.gz BFNHSADCQUWINF-ZETCQYMHSA-N 1 2 238.295 -0.353 20 0 BBADLO C[C@H]1C[N@H+](Cc2nc(N)nc(N)n2)CCCO1 ZINC000170771812 346447036 /nfs/dbraw/zinc/44/70/36/346447036.db2.gz BFNHSADCQUWINF-ZETCQYMHSA-N 1 2 238.295 -0.353 20 0 BBADLO CNC(=O)CC[N@@H+](C)Cc1nnnn1C(C)C ZINC000170781166 134254201 /nfs/dbraw/zinc/25/42/01/134254201.db2.gz WCWHINHKZWODPR-UHFFFAOYSA-N 1 2 240.311 -0.178 20 0 BBADLO CNC(=O)CC[N@H+](C)Cc1nnnn1C(C)C ZINC000170781166 134254200 /nfs/dbraw/zinc/25/42/00/134254200.db2.gz WCWHINHKZWODPR-UHFFFAOYSA-N 1 2 240.311 -0.178 20 0 BBADLO CNC(=O)CC[N@@H+](C)Cc1nccn1C ZINC000170782946 134254081 /nfs/dbraw/zinc/25/40/81/134254081.db2.gz QIBPGSQBVZRHTH-UHFFFAOYSA-N 1 2 210.281 -0.012 20 0 BBADLO CNC(=O)CC[N@H+](C)Cc1nccn1C ZINC000170782946 134254080 /nfs/dbraw/zinc/25/40/80/134254080.db2.gz QIBPGSQBVZRHTH-UHFFFAOYSA-N 1 2 210.281 -0.012 20 0 BBADLO CO[C@@H]1CCC[N@@H+](Cc2nc(N)nc(N)n2)C1 ZINC000170820170 346454892 /nfs/dbraw/zinc/45/48/92/346454892.db2.gz IBPQOMYLNQOWCO-SSDOTTSWSA-N 1 2 238.295 -0.353 20 0 BBADLO CO[C@@H]1CCC[N@H+](Cc2nc(N)nc(N)n2)C1 ZINC000170820170 346454888 /nfs/dbraw/zinc/45/48/88/346454888.db2.gz IBPQOMYLNQOWCO-SSDOTTSWSA-N 1 2 238.295 -0.353 20 0 BBADLO CO[C@H]1CCC[N@@H+](Cc2nc(N)nc(N)n2)C1 ZINC000170820172 346454960 /nfs/dbraw/zinc/45/49/60/346454960.db2.gz IBPQOMYLNQOWCO-ZETCQYMHSA-N 1 2 238.295 -0.353 20 0 BBADLO CO[C@H]1CCC[N@H+](Cc2nc(N)nc(N)n2)C1 ZINC000170820172 346454956 /nfs/dbraw/zinc/45/49/56/346454956.db2.gz IBPQOMYLNQOWCO-ZETCQYMHSA-N 1 2 238.295 -0.353 20 0 BBADLO CCOCCC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000170850860 385450978 /nfs/dbraw/zinc/45/09/78/385450978.db2.gz GLGCAETYTFWXNS-SNVBAGLBSA-N 1 2 230.308 -0.140 20 0 BBADLO CCOCCC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000170850860 385450973 /nfs/dbraw/zinc/45/09/73/385450973.db2.gz GLGCAETYTFWXNS-SNVBAGLBSA-N 1 2 230.308 -0.140 20 0 BBADLO CCOCCC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000170850862 134254126 /nfs/dbraw/zinc/25/41/26/134254126.db2.gz GLGCAETYTFWXNS-JTQLQIEISA-N 1 2 230.308 -0.140 20 0 BBADLO CCOCCC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000170850862 134254125 /nfs/dbraw/zinc/25/41/25/134254125.db2.gz GLGCAETYTFWXNS-JTQLQIEISA-N 1 2 230.308 -0.140 20 0 BBADLO CNC(=O)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000170859352 364532461 /nfs/dbraw/zinc/53/24/61/364532461.db2.gz GRBBFIFQPUSZFM-UHFFFAOYSA-N 1 2 232.243 -0.190 20 0 BBADLO C[C@H](NC(=O)c1ccc2[nH+]ccn2c1)C(N)=O ZINC000170862415 346464382 /nfs/dbraw/zinc/46/43/82/346464382.db2.gz NLERAJBIDRVZCS-ZETCQYMHSA-N 1 2 232.243 -0.062 20 0 BBADLO C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)C(N)=O ZINC000170862418 346464043 /nfs/dbraw/zinc/46/40/43/346464043.db2.gz NLERAJBIDRVZCS-SSDOTTSWSA-N 1 2 232.243 -0.062 20 0 BBADLO COCC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170865928 134254102 /nfs/dbraw/zinc/25/41/02/134254102.db2.gz VZFDVKBCXUBHJC-UHFFFAOYSA-N 1 2 230.308 -0.140 20 0 BBADLO COCC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170865928 134254101 /nfs/dbraw/zinc/25/41/01/134254101.db2.gz VZFDVKBCXUBHJC-UHFFFAOYSA-N 1 2 230.308 -0.140 20 0 BBADLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCCCO ZINC000170870880 346467702 /nfs/dbraw/zinc/46/77/02/346467702.db2.gz GBMYCQOONKBXSF-SECBINFHSA-N 1 2 244.291 -0.878 20 0 BBADLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCCCO ZINC000170870880 346467699 /nfs/dbraw/zinc/46/76/99/346467699.db2.gz GBMYCQOONKBXSF-SECBINFHSA-N 1 2 244.291 -0.878 20 0 BBADLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCCCO ZINC000170870882 346467945 /nfs/dbraw/zinc/46/79/45/346467945.db2.gz GBMYCQOONKBXSF-VIFPVBQESA-N 1 2 244.291 -0.878 20 0 BBADLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCCCO ZINC000170870882 346467944 /nfs/dbraw/zinc/46/79/44/346467944.db2.gz GBMYCQOONKBXSF-VIFPVBQESA-N 1 2 244.291 -0.878 20 0 BBADLO CC1(C)COCC[N@H+]1CCNS(C)(=O)=O ZINC000170885088 388113218 /nfs/dbraw/zinc/11/32/18/388113218.db2.gz AMSDQHZRECDLRP-UHFFFAOYSA-N 1 2 236.337 -0.354 20 0 BBADLO CC1(C)COCC[N@@H+]1CCNS(C)(=O)=O ZINC000170885088 388113214 /nfs/dbraw/zinc/11/32/14/388113214.db2.gz AMSDQHZRECDLRP-UHFFFAOYSA-N 1 2 236.337 -0.354 20 0 BBADLO COC(=O)CNC(=O)C[N@H+]1CCS[C@H](C)C1 ZINC000170901678 134254912 /nfs/dbraw/zinc/25/49/12/134254912.db2.gz DDOARANGJNYDPZ-MRVPVSSYSA-N 1 2 246.332 -0.287 20 0 BBADLO COC(=O)CNC(=O)C[N@@H+]1CCS[C@H](C)C1 ZINC000170901678 134254911 /nfs/dbraw/zinc/25/49/11/134254911.db2.gz DDOARANGJNYDPZ-MRVPVSSYSA-N 1 2 246.332 -0.287 20 0 BBADLO COC(=O)CNC(=O)C[N@H+]1CCS[C@@H](C)C1 ZINC000170901680 134254878 /nfs/dbraw/zinc/25/48/78/134254878.db2.gz DDOARANGJNYDPZ-QMMMGPOBSA-N 1 2 246.332 -0.287 20 0 BBADLO COC(=O)CNC(=O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000170901680 134254877 /nfs/dbraw/zinc/25/48/77/134254877.db2.gz DDOARANGJNYDPZ-QMMMGPOBSA-N 1 2 246.332 -0.287 20 0 BBADLO COCCCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000170924745 134255489 /nfs/dbraw/zinc/25/54/89/134255489.db2.gz UQVTUNXYKBNQLN-SNVBAGLBSA-N 1 2 245.323 -0.347 20 0 BBADLO COCCCNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000170924745 134255488 /nfs/dbraw/zinc/25/54/88/134255488.db2.gz UQVTUNXYKBNQLN-SNVBAGLBSA-N 1 2 245.323 -0.347 20 0 BBADLO COCCCNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000170924747 134255262 /nfs/dbraw/zinc/25/52/62/134255262.db2.gz UQVTUNXYKBNQLN-JTQLQIEISA-N 1 2 245.323 -0.347 20 0 BBADLO COCCCNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000170924747 134255261 /nfs/dbraw/zinc/25/52/61/134255261.db2.gz UQVTUNXYKBNQLN-JTQLQIEISA-N 1 2 245.323 -0.347 20 0 BBADLO CCNC(=O)C[N@H+]1CCC[C@@H]1C(=O)NC ZINC000170928624 388575786 /nfs/dbraw/zinc/57/57/86/388575786.db2.gz GTAJSEPHNMHWGX-MRVPVSSYSA-N 1 2 213.281 -0.667 20 0 BBADLO CCNC(=O)C[N@@H+]1CCC[C@@H]1C(=O)NC ZINC000170928624 388575785 /nfs/dbraw/zinc/57/57/85/388575785.db2.gz GTAJSEPHNMHWGX-MRVPVSSYSA-N 1 2 213.281 -0.667 20 0 BBADLO CCNC(=O)C[N@H+]1CCC[C@H]1C(=O)NC ZINC000170928626 388115423 /nfs/dbraw/zinc/11/54/23/388115423.db2.gz GTAJSEPHNMHWGX-QMMMGPOBSA-N 1 2 213.281 -0.667 20 0 BBADLO CCNC(=O)C[N@@H+]1CCC[C@H]1C(=O)NC ZINC000170928626 388115421 /nfs/dbraw/zinc/11/54/21/388115421.db2.gz GTAJSEPHNMHWGX-QMMMGPOBSA-N 1 2 213.281 -0.667 20 0 BBADLO CCNC(=O)C[N@H+]1CCCC[C@@H]1C(=O)NC ZINC000170929551 388115938 /nfs/dbraw/zinc/11/59/38/388115938.db2.gz GXIYXDJETYVABN-SECBINFHSA-N 1 2 227.308 -0.277 20 0 BBADLO CCNC(=O)C[N@@H+]1CCCC[C@@H]1C(=O)NC ZINC000170929551 388115937 /nfs/dbraw/zinc/11/59/37/388115937.db2.gz GXIYXDJETYVABN-SECBINFHSA-N 1 2 227.308 -0.277 20 0 BBADLO CCNC(=O)C[N@H+]1CCCC[C@H]1C(=O)NC ZINC000170929552 388115649 /nfs/dbraw/zinc/11/56/49/388115649.db2.gz GXIYXDJETYVABN-VIFPVBQESA-N 1 2 227.308 -0.277 20 0 BBADLO CCNC(=O)C[N@@H+]1CCCC[C@H]1C(=O)NC ZINC000170929552 388115647 /nfs/dbraw/zinc/11/56/47/388115647.db2.gz GXIYXDJETYVABN-VIFPVBQESA-N 1 2 227.308 -0.277 20 0 BBADLO C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)CCO1 ZINC000170958004 134255935 /nfs/dbraw/zinc/25/59/35/134255935.db2.gz MQGRHRYJSSZSBP-MRVPVSSYSA-N 1 2 222.310 -0.744 20 0 BBADLO C[C@@H]1C[N@H+](CCNS(C)(=O)=O)CCO1 ZINC000170958004 134255934 /nfs/dbraw/zinc/25/59/34/134255934.db2.gz MQGRHRYJSSZSBP-MRVPVSSYSA-N 1 2 222.310 -0.744 20 0 BBADLO C[C@H]1C[N@@H+](CCNS(C)(=O)=O)CCO1 ZINC000170958006 134255784 /nfs/dbraw/zinc/25/57/84/134255784.db2.gz MQGRHRYJSSZSBP-QMMMGPOBSA-N 1 2 222.310 -0.744 20 0 BBADLO C[C@H]1C[N@H+](CCNS(C)(=O)=O)CCO1 ZINC000170958006 134255783 /nfs/dbraw/zinc/25/57/83/134255783.db2.gz MQGRHRYJSSZSBP-QMMMGPOBSA-N 1 2 222.310 -0.744 20 0 BBADLO CC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)CCO1 ZINC000170958142 388115605 /nfs/dbraw/zinc/11/56/05/388115605.db2.gz GMZBOCQIDMEYRH-SECBINFHSA-N 1 2 236.337 -0.354 20 0 BBADLO CC[C@@H]1C[N@H+](CCNS(C)(=O)=O)CCO1 ZINC000170958142 388115603 /nfs/dbraw/zinc/11/56/03/388115603.db2.gz GMZBOCQIDMEYRH-SECBINFHSA-N 1 2 236.337 -0.354 20 0 BBADLO CC[C@H]1C[N@@H+](CCNS(C)(=O)=O)CCO1 ZINC000170958143 384532948 /nfs/dbraw/zinc/53/29/48/384532948.db2.gz GMZBOCQIDMEYRH-VIFPVBQESA-N 1 2 236.337 -0.354 20 0 BBADLO CC[C@H]1C[N@H+](CCNS(C)(=O)=O)CCO1 ZINC000170958143 384532939 /nfs/dbraw/zinc/53/29/39/384532939.db2.gz GMZBOCQIDMEYRH-VIFPVBQESA-N 1 2 236.337 -0.354 20 0 BBADLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCSC ZINC000171014516 536314830 /nfs/dbraw/zinc/31/48/30/536314830.db2.gz XRJFEWVVGAZBET-MRVPVSSYSA-N 1 2 246.332 -0.287 20 0 BBADLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCSC ZINC000171014516 536314827 /nfs/dbraw/zinc/31/48/27/536314827.db2.gz XRJFEWVVGAZBET-MRVPVSSYSA-N 1 2 246.332 -0.287 20 0 BBADLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCSC ZINC000171014519 536348234 /nfs/dbraw/zinc/34/82/34/536348234.db2.gz XRJFEWVVGAZBET-QMMMGPOBSA-N 1 2 246.332 -0.287 20 0 BBADLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCSC ZINC000171014519 536348232 /nfs/dbraw/zinc/34/82/32/536348232.db2.gz XRJFEWVVGAZBET-QMMMGPOBSA-N 1 2 246.332 -0.287 20 0 BBADLO NS(=O)(=O)NCCCNc1cccc[nH+]1 ZINC000171043887 384545706 /nfs/dbraw/zinc/54/57/06/384545706.db2.gz DKXTVBRRALLFFH-UHFFFAOYSA-N 1 2 230.293 -0.323 20 0 BBADLO CC[C@@H](C(N)=O)[NH+]1CCN(CCOC)CC1 ZINC000171052096 535452523 /nfs/dbraw/zinc/45/25/23/535452523.db2.gz SQORCEAWIFWUHO-JTQLQIEISA-N 1 2 229.324 -0.486 20 0 BBADLO CC[C@H](C(N)=O)[NH+]1CCN(CCOC)CC1 ZINC000171052100 134256481 /nfs/dbraw/zinc/25/64/81/134256481.db2.gz SQORCEAWIFWUHO-SNVBAGLBSA-N 1 2 229.324 -0.486 20 0 BBADLO O=C(C[N@H+]1CCNC(=O)CC1)Nc1ccncc1 ZINC000171054601 361285175 /nfs/dbraw/zinc/28/51/75/361285175.db2.gz AMLDIDNOOMZWQO-UHFFFAOYSA-N 1 2 248.286 -0.158 20 0 BBADLO O=C(C[N@@H+]1CCNC(=O)CC1)Nc1ccncc1 ZINC000171054601 361285172 /nfs/dbraw/zinc/28/51/72/361285172.db2.gz AMLDIDNOOMZWQO-UHFFFAOYSA-N 1 2 248.286 -0.158 20 0 BBADLO CC[C@@H](C(N)=O)[NH+]1CCN(c2cnccn2)CC1 ZINC000171077186 535454371 /nfs/dbraw/zinc/45/43/71/535454371.db2.gz VVASMZRWJMVCSC-JTQLQIEISA-N 1 2 249.318 -0.138 20 0 BBADLO CC[C@H](C(N)=O)[NH+]1CCN(c2cnccn2)CC1 ZINC000171077190 134257201 /nfs/dbraw/zinc/25/72/01/134257201.db2.gz VVASMZRWJMVCSC-SNVBAGLBSA-N 1 2 249.318 -0.138 20 0 BBADLO CC[C@@H](C(N)=O)[N@@H+](C)CC(=O)NCCCOC ZINC000171080038 361325526 /nfs/dbraw/zinc/32/55/26/361325526.db2.gz ZQVOJAKUYFBTLO-VIFPVBQESA-N 1 2 245.323 -0.665 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+](C)CC(=O)NCCCOC ZINC000171080038 361325520 /nfs/dbraw/zinc/32/55/20/361325520.db2.gz ZQVOJAKUYFBTLO-VIFPVBQESA-N 1 2 245.323 -0.665 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+](C)CC(=O)NCCCOC ZINC000171080041 361325418 /nfs/dbraw/zinc/32/54/18/361325418.db2.gz ZQVOJAKUYFBTLO-SECBINFHSA-N 1 2 245.323 -0.665 20 0 BBADLO CC[C@H](C(N)=O)[N@H+](C)CC(=O)NCCCOC ZINC000171080041 361325411 /nfs/dbraw/zinc/32/54/11/361325411.db2.gz ZQVOJAKUYFBTLO-SECBINFHSA-N 1 2 245.323 -0.665 20 0 BBADLO CC[C@H](C)NC(=O)C[N@@H+](C)CC(=O)N(C)C ZINC000171081162 134257137 /nfs/dbraw/zinc/25/71/37/134257137.db2.gz LEBBLILHYWBUDR-VIFPVBQESA-N 1 2 229.324 -0.079 20 0 BBADLO CC[C@H](C)NC(=O)C[N@H+](C)CC(=O)N(C)C ZINC000171081162 134257136 /nfs/dbraw/zinc/25/71/36/134257136.db2.gz LEBBLILHYWBUDR-VIFPVBQESA-N 1 2 229.324 -0.079 20 0 BBADLO CC[C@@H](C(N)=O)[NH+]1CCN(c2cccnn2)CC1 ZINC000171082127 385466882 /nfs/dbraw/zinc/46/68/82/385466882.db2.gz HBCBTEYGAAYZKW-JTQLQIEISA-N 1 2 249.318 -0.138 20 0 BBADLO CC[C@H](C(N)=O)[NH+]1CCN(c2cccnn2)CC1 ZINC000171082132 385467366 /nfs/dbraw/zinc/46/73/66/385467366.db2.gz HBCBTEYGAAYZKW-SNVBAGLBSA-N 1 2 249.318 -0.138 20 0 BBADLO NC(=O)CN1CC[NH+](Cc2cccnc2)CC1 ZINC000171146151 181233375 /nfs/dbraw/zinc/23/33/75/181233375.db2.gz DGLLSYQUPJXORK-UHFFFAOYSA-N 1 2 234.303 -0.316 20 0 BBADLO COC(=O)[C@@H]1C[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000171188149 385472854 /nfs/dbraw/zinc/47/28/54/385472854.db2.gz ZCVYLOLPKOIWEJ-DTWKUNHWSA-N 1 2 237.259 -0.192 20 0 BBADLO COC(=O)[C@H]1C[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000171188154 385473303 /nfs/dbraw/zinc/47/33/03/385473303.db2.gz ZCVYLOLPKOIWEJ-IUCAKERBSA-N 1 2 237.259 -0.192 20 0 BBADLO COC(=O)[C@@H]1C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000171188159 385473825 /nfs/dbraw/zinc/47/38/25/385473825.db2.gz ZCVYLOLPKOIWEJ-RKDXNWHRSA-N 1 2 237.259 -0.192 20 0 BBADLO COC(=O)[C@H]1C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000171188164 385472704 /nfs/dbraw/zinc/47/27/04/385472704.db2.gz ZCVYLOLPKOIWEJ-BDAKNGLRSA-N 1 2 237.259 -0.192 20 0 BBADLO CNC(=O)CCN(C)c1[nH+]cnc2c1cnn2C ZINC000171217144 173251588 /nfs/dbraw/zinc/25/15/88/173251588.db2.gz LRBQDUYPBNTKBU-UHFFFAOYSA-N 1 2 248.290 -0.064 20 0 BBADLO O=S(=O)(NCCC[NH+]1CCOCC1)C1CC1 ZINC000171329423 388124326 /nfs/dbraw/zinc/12/43/26/388124326.db2.gz RJRNVMKFGBKVDY-UHFFFAOYSA-N 1 2 248.348 -0.210 20 0 BBADLO COCCC(=O)NCC[NH+]1CCOCC1 ZINC000171349278 134256724 /nfs/dbraw/zinc/25/67/24/134256724.db2.gz ZLOBPLPWIJUARW-UHFFFAOYSA-N 1 2 216.281 -0.529 20 0 BBADLO CCNC(=O)C[NH+]1CCN(c2cccnn2)CC1 ZINC000171351387 385479125 /nfs/dbraw/zinc/47/91/25/385479125.db2.gz LDADVZRAUSVFHK-UHFFFAOYSA-N 1 2 249.318 -0.265 20 0 BBADLO COCCC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000171373983 134256660 /nfs/dbraw/zinc/25/66/60/134256660.db2.gz FDEABCHYRIOVSF-JTQLQIEISA-N 1 2 230.308 -0.140 20 0 BBADLO COCCC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000171373990 134256850 /nfs/dbraw/zinc/25/68/50/134256850.db2.gz FDEABCHYRIOVSF-SNVBAGLBSA-N 1 2 230.308 -0.140 20 0 BBADLO COCCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000171379172 536838588 /nfs/dbraw/zinc/83/85/88/536838588.db2.gz RSLJZZIRSHUXBL-JTQLQIEISA-N 1 2 230.308 -0.140 20 0 BBADLO COCCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000171379178 134256566 /nfs/dbraw/zinc/25/65/66/134256566.db2.gz RSLJZZIRSHUXBL-SNVBAGLBSA-N 1 2 230.308 -0.140 20 0 BBADLO CNC(=O)[C@@H]1CCC[N@H+]1CCCS(C)(=O)=O ZINC000171380646 134256743 /nfs/dbraw/zinc/25/67/43/134256743.db2.gz BQBHKLQVWIVZAR-VIFPVBQESA-N 1 2 248.348 -0.369 20 0 BBADLO CNC(=O)[C@@H]1CCC[N@@H+]1CCCS(C)(=O)=O ZINC000171380646 134256742 /nfs/dbraw/zinc/25/67/42/134256742.db2.gz BQBHKLQVWIVZAR-VIFPVBQESA-N 1 2 248.348 -0.369 20 0 BBADLO CNC(=O)[C@H]1CCC[N@H+]1CCCS(C)(=O)=O ZINC000171380652 134256736 /nfs/dbraw/zinc/25/67/36/134256736.db2.gz BQBHKLQVWIVZAR-SECBINFHSA-N 1 2 248.348 -0.369 20 0 BBADLO CNC(=O)[C@H]1CCC[N@@H+]1CCCS(C)(=O)=O ZINC000171380652 134256735 /nfs/dbraw/zinc/25/67/35/134256735.db2.gz BQBHKLQVWIVZAR-SECBINFHSA-N 1 2 248.348 -0.369 20 0 BBADLO COC(=O)[C@@H]1C[N@@H+](CCCNC(C)=O)CCO1 ZINC000171398657 365195884 /nfs/dbraw/zinc/19/58/84/365195884.db2.gz YSPXVIGQNALCER-JTQLQIEISA-N 1 2 244.291 -0.614 20 0 BBADLO COC(=O)[C@@H]1C[N@H+](CCCNC(C)=O)CCO1 ZINC000171398657 365195878 /nfs/dbraw/zinc/19/58/78/365195878.db2.gz YSPXVIGQNALCER-JTQLQIEISA-N 1 2 244.291 -0.614 20 0 BBADLO COC(=O)[C@H]1C[N@@H+](CCCNC(C)=O)CCO1 ZINC000171398663 365196590 /nfs/dbraw/zinc/19/65/90/365196590.db2.gz YSPXVIGQNALCER-SNVBAGLBSA-N 1 2 244.291 -0.614 20 0 BBADLO COC(=O)[C@H]1C[N@H+](CCCNC(C)=O)CCO1 ZINC000171398663 365196585 /nfs/dbraw/zinc/19/65/85/365196585.db2.gz YSPXVIGQNALCER-SNVBAGLBSA-N 1 2 244.291 -0.614 20 0 BBADLO CNC(=O)C[N@H+]1CCCC[C@@H]1C(=O)NC ZINC000171401475 365196678 /nfs/dbraw/zinc/19/66/78/365196678.db2.gz TWDJJNMJVUTGSN-MRVPVSSYSA-N 1 2 213.281 -0.667 20 0 BBADLO CNC(=O)C[N@@H+]1CCCC[C@@H]1C(=O)NC ZINC000171401475 365196674 /nfs/dbraw/zinc/19/66/74/365196674.db2.gz TWDJJNMJVUTGSN-MRVPVSSYSA-N 1 2 213.281 -0.667 20 0 BBADLO CNC(=O)C[N@H+]1CCCC[C@H]1C(=O)NC ZINC000171401480 346819117 /nfs/dbraw/zinc/81/91/17/346819117.db2.gz TWDJJNMJVUTGSN-QMMMGPOBSA-N 1 2 213.281 -0.667 20 0 BBADLO CNC(=O)C[N@@H+]1CCCC[C@H]1C(=O)NC ZINC000171401480 346819114 /nfs/dbraw/zinc/81/91/14/346819114.db2.gz TWDJJNMJVUTGSN-QMMMGPOBSA-N 1 2 213.281 -0.667 20 0 BBADLO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N(C)C ZINC000171401818 372569330 /nfs/dbraw/zinc/56/93/30/372569330.db2.gz RZRJEYBRHPVGOM-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N(C)C ZINC000171401818 372569325 /nfs/dbraw/zinc/56/93/25/372569325.db2.gz RZRJEYBRHPVGOM-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)N(C)C ZINC000171401823 372569278 /nfs/dbraw/zinc/56/92/78/372569278.db2.gz RZRJEYBRHPVGOM-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N(C)C ZINC000171401823 372569274 /nfs/dbraw/zinc/56/92/74/372569274.db2.gz RZRJEYBRHPVGOM-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CO[C@@H](C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000171416714 372575182 /nfs/dbraw/zinc/57/51/82/372575182.db2.gz XXHUWWUKMSAOND-JTQLQIEISA-N 1 2 230.308 -0.188 20 0 BBADLO CO[C@H](C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000171416718 372574848 /nfs/dbraw/zinc/57/48/48/372574848.db2.gz XXHUWWUKMSAOND-SNVBAGLBSA-N 1 2 230.308 -0.188 20 0 BBADLO CCOCC(=O)N(C)CC[NH+]1CCOCC1 ZINC000171418662 365197287 /nfs/dbraw/zinc/19/72/87/365197287.db2.gz ZXBWAHMBFGIYER-UHFFFAOYSA-N 1 2 230.308 -0.187 20 0 BBADLO CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCOC1 ZINC000171419132 372574408 /nfs/dbraw/zinc/57/44/08/372574408.db2.gz XMNZKEMYKTUBNU-LLVKDONJSA-N 1 2 242.319 -0.187 20 0 BBADLO CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCOC1 ZINC000171419136 372575032 /nfs/dbraw/zinc/57/50/32/372575032.db2.gz XMNZKEMYKTUBNU-NSHDSACASA-N 1 2 242.319 -0.187 20 0 BBADLO COCCC(=O)N(C)CC[NH+]1CCOCC1 ZINC000171419579 372574721 /nfs/dbraw/zinc/57/47/21/372574721.db2.gz AFTYFTMXMCYQQZ-UHFFFAOYSA-N 1 2 230.308 -0.187 20 0 BBADLO CC[C@@H](C(=O)OC)[N@H+]1CCNC(=O)CC1 ZINC000171505187 535449312 /nfs/dbraw/zinc/44/93/12/535449312.db2.gz RDFPKTCBQIDOSW-QMMMGPOBSA-N 1 2 214.265 -0.240 20 0 BBADLO CC[C@@H](C(=O)OC)[N@@H+]1CCNC(=O)CC1 ZINC000171505187 535449306 /nfs/dbraw/zinc/44/93/06/535449306.db2.gz RDFPKTCBQIDOSW-QMMMGPOBSA-N 1 2 214.265 -0.240 20 0 BBADLO CC[C@H](C(=O)OC)[N@H+]1CCNC(=O)CC1 ZINC000171505191 536104098 /nfs/dbraw/zinc/10/40/98/536104098.db2.gz RDFPKTCBQIDOSW-MRVPVSSYSA-N 1 2 214.265 -0.240 20 0 BBADLO CC[C@H](C(=O)OC)[N@@H+]1CCNC(=O)CC1 ZINC000171505191 536104095 /nfs/dbraw/zinc/10/40/95/536104095.db2.gz RDFPKTCBQIDOSW-MRVPVSSYSA-N 1 2 214.265 -0.240 20 0 BBADLO COC[C@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000171535932 536827173 /nfs/dbraw/zinc/82/71/73/536827173.db2.gz RACGJMIQQGZESF-VHSXEESVSA-N 1 2 230.308 -0.284 20 0 BBADLO COC[C@H](C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000171535932 536827165 /nfs/dbraw/zinc/82/71/65/536827165.db2.gz RACGJMIQQGZESF-VHSXEESVSA-N 1 2 230.308 -0.284 20 0 BBADLO COC[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000171535934 134258927 /nfs/dbraw/zinc/25/89/27/134258927.db2.gz RACGJMIQQGZESF-NXEZZACHSA-N 1 2 230.308 -0.284 20 0 BBADLO COC[C@@H](C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000171535934 134258926 /nfs/dbraw/zinc/25/89/26/134258926.db2.gz RACGJMIQQGZESF-NXEZZACHSA-N 1 2 230.308 -0.284 20 0 BBADLO COC[C@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000171535939 536828188 /nfs/dbraw/zinc/82/81/88/536828188.db2.gz RACGJMIQQGZESF-UWVGGRQHSA-N 1 2 230.308 -0.284 20 0 BBADLO COC[C@H](C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000171535939 536828183 /nfs/dbraw/zinc/82/81/83/536828183.db2.gz RACGJMIQQGZESF-UWVGGRQHSA-N 1 2 230.308 -0.284 20 0 BBADLO COC[C@@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000171535941 134259035 /nfs/dbraw/zinc/25/90/35/134259035.db2.gz RACGJMIQQGZESF-ZJUUUORDSA-N 1 2 230.308 -0.284 20 0 BBADLO COC[C@@H](C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000171535941 134259034 /nfs/dbraw/zinc/25/90/34/134259034.db2.gz RACGJMIQQGZESF-ZJUUUORDSA-N 1 2 230.308 -0.284 20 0 BBADLO COC(C)(C)C(=O)NCC[NH+]1CCOCC1 ZINC000171584843 134259311 /nfs/dbraw/zinc/25/93/11/134259311.db2.gz DCEYHHNEIYCUHD-UHFFFAOYSA-N 1 2 230.308 -0.140 20 0 BBADLO COC(C)(C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000171600773 134259119 /nfs/dbraw/zinc/25/91/19/134259119.db2.gz COXOXHGJFWQJRL-SECBINFHSA-N 1 2 230.308 -0.142 20 0 BBADLO COC(C)(C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000171600773 134259118 /nfs/dbraw/zinc/25/91/18/134259118.db2.gz COXOXHGJFWQJRL-SECBINFHSA-N 1 2 230.308 -0.142 20 0 BBADLO COC(C)(C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000171600777 134259227 /nfs/dbraw/zinc/25/92/27/134259227.db2.gz COXOXHGJFWQJRL-VIFPVBQESA-N 1 2 230.308 -0.142 20 0 BBADLO COC(C)(C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000171600777 134259226 /nfs/dbraw/zinc/25/92/26/134259226.db2.gz COXOXHGJFWQJRL-VIFPVBQESA-N 1 2 230.308 -0.142 20 0 BBADLO CCONC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000171604321 640994883 /nfs/dbraw/zinc/99/48/83/640994883.db2.gz KXJGRGLMJXQBMX-JTQLQIEISA-N 1 2 244.339 -0.127 20 0 BBADLO CCONC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000171604325 640995166 /nfs/dbraw/zinc/99/51/66/640995166.db2.gz KXJGRGLMJXQBMX-SNVBAGLBSA-N 1 2 244.339 -0.127 20 0 BBADLO O=C(c1ccc2[nH+]ccn2c1)N1CCNC(=O)C1 ZINC000171668708 385504661 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CCOCC[N@H+](CC)Cc1nc(N)nc(N)n1 ZINC000173350305 170395975 /nfs/dbraw/zinc/39/59/75/170395975.db2.gz ZMEVQZOAGXUAML-UHFFFAOYSA-N 1 2 240.311 -0.106 20 0 BBADLO CCN(C)S(=O)(=O)NCCn1cc[nH+]c1 ZINC000173485034 384684188 /nfs/dbraw/zinc/68/41/88/384684188.db2.gz BNARWISMUHGWGP-UHFFFAOYSA-N 1 2 232.309 -0.331 20 0 BBADLO C[C@@H]1CSCC[N@H+]1Cc1nc(N)nc(N)n1 ZINC000173492277 176351170 /nfs/dbraw/zinc/35/11/70/176351170.db2.gz BWNPYIBWRZBWON-ZCFIWIBFSA-N 1 2 240.336 -0.027 20 0 BBADLO C[C@@H]1CSCC[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000173492277 176351168 /nfs/dbraw/zinc/35/11/68/176351168.db2.gz BWNPYIBWRZBWON-ZCFIWIBFSA-N 1 2 240.336 -0.027 20 0 BBADLO C[C@H]1CSCC[N@H+]1Cc1nc(N)nc(N)n1 ZINC000173492289 177305040 /nfs/dbraw/zinc/30/50/40/177305040.db2.gz BWNPYIBWRZBWON-LURJTMIESA-N 1 2 240.336 -0.027 20 0 BBADLO C[C@H]1CSCC[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000173492289 177305038 /nfs/dbraw/zinc/30/50/38/177305038.db2.gz BWNPYIBWRZBWON-LURJTMIESA-N 1 2 240.336 -0.027 20 0 BBADLO C[C@@H](O)C[N@H+]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000173574367 388355919 /nfs/dbraw/zinc/35/59/19/388355919.db2.gz XQQHNQHWJBIVRJ-RKDXNWHRSA-N 1 2 236.337 -0.667 20 0 BBADLO C[C@@H](O)C[N@@H+]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000173574367 388355917 /nfs/dbraw/zinc/35/59/17/388355917.db2.gz XQQHNQHWJBIVRJ-RKDXNWHRSA-N 1 2 236.337 -0.667 20 0 BBADLO C[C@@H](O)C[N@H+]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000173574379 388356147 /nfs/dbraw/zinc/35/61/47/388356147.db2.gz XQQHNQHWJBIVRJ-DTWKUNHWSA-N 1 2 236.337 -0.667 20 0 BBADLO C[C@@H](O)C[N@@H+]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000173574379 388356145 /nfs/dbraw/zinc/35/61/45/388356145.db2.gz XQQHNQHWJBIVRJ-DTWKUNHWSA-N 1 2 236.337 -0.667 20 0 BBADLO Cc1nnc([C@@H]2C[N@@H+](CCCO)CCO2)[nH]1 ZINC000173661882 388360024 /nfs/dbraw/zinc/36/00/24/388360024.db2.gz ZPRLCHCYADJXAI-VIFPVBQESA-N 1 2 226.280 -0.131 20 0 BBADLO Cc1nnc([C@@H]2C[N@H+](CCCO)CCO2)[nH]1 ZINC000173661882 388360021 /nfs/dbraw/zinc/36/00/21/388360021.db2.gz ZPRLCHCYADJXAI-VIFPVBQESA-N 1 2 226.280 -0.131 20 0 BBADLO Cc1nnc([C@H]2C[N@@H+](CCCO)CCO2)[nH]1 ZINC000173661897 388359882 /nfs/dbraw/zinc/35/98/82/388359882.db2.gz ZPRLCHCYADJXAI-SECBINFHSA-N 1 2 226.280 -0.131 20 0 BBADLO Cc1nnc([C@H]2C[N@H+](CCCO)CCO2)[nH]1 ZINC000173661897 388359880 /nfs/dbraw/zinc/35/98/80/388359880.db2.gz ZPRLCHCYADJXAI-SECBINFHSA-N 1 2 226.280 -0.131 20 0 BBADLO CS(=O)(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000173753774 134275071 /nfs/dbraw/zinc/27/50/71/134275071.db2.gz GMEKOAISDXCABU-SNVBAGLBSA-N 1 2 248.348 -0.257 20 0 BBADLO CS(=O)(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000173753784 134275075 /nfs/dbraw/zinc/27/50/75/134275075.db2.gz GMEKOAISDXCABU-JTQLQIEISA-N 1 2 248.348 -0.257 20 0 BBADLO C[C@H]([NH2+]CC(N)=O)c1nnnn1-c1ccccc1 ZINC000173823733 365448836 /nfs/dbraw/zinc/44/88/36/365448836.db2.gz CVNPOQBKZLLYRV-QMMMGPOBSA-N 1 2 246.274 -0.202 20 0 BBADLO C[C@@H]([NH2+]CC(N)=O)c1nnnn1-c1ccccc1 ZINC000173823745 365448271 /nfs/dbraw/zinc/44/82/71/365448271.db2.gz CVNPOQBKZLLYRV-MRVPVSSYSA-N 1 2 246.274 -0.202 20 0 BBADLO Cn1nccc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000174441756 388399460 /nfs/dbraw/zinc/39/94/60/388399460.db2.gz OHSDHKYJRNOHPJ-QMMMGPOBSA-N 1 2 224.264 -0.311 20 0 BBADLO Cn1nccc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000174441756 388399456 /nfs/dbraw/zinc/39/94/56/388399456.db2.gz OHSDHKYJRNOHPJ-QMMMGPOBSA-N 1 2 224.264 -0.311 20 0 BBADLO Cn1nccc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000174441769 134281944 /nfs/dbraw/zinc/28/19/44/134281944.db2.gz OHSDHKYJRNOHPJ-MRVPVSSYSA-N 1 2 224.264 -0.311 20 0 BBADLO Cn1nccc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000174441769 134281943 /nfs/dbraw/zinc/28/19/43/134281943.db2.gz OHSDHKYJRNOHPJ-MRVPVSSYSA-N 1 2 224.264 -0.311 20 0 BBADLO Cn1ccc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000174472433 173106552 /nfs/dbraw/zinc/10/65/52/173106552.db2.gz STERWPQNGSTYKK-QMMMGPOBSA-N 1 2 224.264 -0.311 20 0 BBADLO Cn1ccc(NC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000174472433 173106550 /nfs/dbraw/zinc/10/65/50/173106550.db2.gz STERWPQNGSTYKK-QMMMGPOBSA-N 1 2 224.264 -0.311 20 0 BBADLO Cn1ccc(NC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000174472449 173099681 /nfs/dbraw/zinc/09/96/81/173099681.db2.gz STERWPQNGSTYKK-MRVPVSSYSA-N 1 2 224.264 -0.311 20 0 BBADLO Cn1ccc(NC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC000174472449 173099680 /nfs/dbraw/zinc/09/96/80/173099680.db2.gz STERWPQNGSTYKK-MRVPVSSYSA-N 1 2 224.264 -0.311 20 0 BBADLO COCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174491943 134282228 /nfs/dbraw/zinc/28/22/28/134282228.db2.gz MDJXXJBIQCLRHU-LLVKDONJSA-N 1 2 242.319 -0.044 20 0 BBADLO COCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174491956 134282032 /nfs/dbraw/zinc/28/20/32/134282032.db2.gz MDJXXJBIQCLRHU-NSHDSACASA-N 1 2 242.319 -0.044 20 0 BBADLO C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)CO1 ZINC000174577684 134282825 /nfs/dbraw/zinc/28/28/25/134282825.db2.gz HZOMPIDRCCPBNN-MXWKQRLJSA-N 1 2 242.319 -0.047 20 0 BBADLO C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)CO1 ZINC000174577684 134282824 /nfs/dbraw/zinc/28/28/24/134282824.db2.gz HZOMPIDRCCPBNN-MXWKQRLJSA-N 1 2 242.319 -0.047 20 0 BBADLO C[C@@H]1CO[C@@H](C)CN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000174577695 134282679 /nfs/dbraw/zinc/28/26/79/134282679.db2.gz HZOMPIDRCCPBNN-VWYCJHECSA-N 1 2 242.319 -0.047 20 0 BBADLO C[C@@H]1CO[C@@H](C)CN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000174577695 134282678 /nfs/dbraw/zinc/28/26/78/134282678.db2.gz HZOMPIDRCCPBNN-VWYCJHECSA-N 1 2 242.319 -0.047 20 0 BBADLO C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](C)CO1 ZINC000174577712 134282847 /nfs/dbraw/zinc/28/28/47/134282847.db2.gz HZOMPIDRCCPBNN-AXFHLTTASA-N 1 2 242.319 -0.047 20 0 BBADLO C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](C)CO1 ZINC000174577712 134282846 /nfs/dbraw/zinc/28/28/46/134282846.db2.gz HZOMPIDRCCPBNN-AXFHLTTASA-N 1 2 242.319 -0.047 20 0 BBADLO C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](C)CO1 ZINC000174577724 134282951 /nfs/dbraw/zinc/28/29/51/134282951.db2.gz HZOMPIDRCCPBNN-DCAQKATOSA-N 1 2 242.319 -0.047 20 0 BBADLO C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](C)CO1 ZINC000174577724 134282950 /nfs/dbraw/zinc/28/29/50/134282950.db2.gz HZOMPIDRCCPBNN-DCAQKATOSA-N 1 2 242.319 -0.047 20 0 BBADLO Cn1cc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC000174598413 388406203 /nfs/dbraw/zinc/40/62/03/388406203.db2.gz IITPAPLPPKTSOJ-VIFPVBQESA-N 1 2 224.264 -0.311 20 0 BBADLO Cn1cc(NC(=O)[C@@H]2C[N@H+](C)CCO2)cn1 ZINC000174598413 388406200 /nfs/dbraw/zinc/40/62/00/388406200.db2.gz IITPAPLPPKTSOJ-VIFPVBQESA-N 1 2 224.264 -0.311 20 0 BBADLO Cn1cc(NC(=O)[C@H]2C[N@@H+](C)CCO2)cn1 ZINC000174598422 388406305 /nfs/dbraw/zinc/40/63/05/388406305.db2.gz IITPAPLPPKTSOJ-SECBINFHSA-N 1 2 224.264 -0.311 20 0 BBADLO Cn1cc(NC(=O)[C@H]2C[N@H+](C)CCO2)cn1 ZINC000174598422 388406303 /nfs/dbraw/zinc/40/63/03/388406303.db2.gz IITPAPLPPKTSOJ-SECBINFHSA-N 1 2 224.264 -0.311 20 0 BBADLO Cc1nc(N2CCN(CC(N)=O)CC2)cc[nH+]1 ZINC000174674982 384825366 /nfs/dbraw/zinc/82/53/66/384825366.db2.gz IFKRVTGDYPNMDE-UHFFFAOYSA-N 1 2 235.291 -0.608 20 0 BBADLO COC(=O)C[C@@H]1CSCC[N@H+]1CC(N)=O ZINC000174732418 134283164 /nfs/dbraw/zinc/28/31/64/134283164.db2.gz QFUIWQOHHCXFPH-SSDOTTSWSA-N 1 2 232.305 -0.548 20 0 BBADLO COC(=O)C[C@@H]1CSCC[N@@H+]1CC(N)=O ZINC000174732418 134283163 /nfs/dbraw/zinc/28/31/63/134283163.db2.gz QFUIWQOHHCXFPH-SSDOTTSWSA-N 1 2 232.305 -0.548 20 0 BBADLO COC(=O)C[C@H]1CSCC[N@H+]1CC(N)=O ZINC000174732427 536357731 /nfs/dbraw/zinc/35/77/31/536357731.db2.gz QFUIWQOHHCXFPH-ZETCQYMHSA-N 1 2 232.305 -0.548 20 0 BBADLO COC(=O)C[C@H]1CSCC[N@@H+]1CC(N)=O ZINC000174732427 536357727 /nfs/dbraw/zinc/35/77/27/536357727.db2.gz QFUIWQOHHCXFPH-ZETCQYMHSA-N 1 2 232.305 -0.548 20 0 BBADLO C[N@H+]1CCO[C@H](CNC(=O)NCC(F)F)C1 ZINC000174748470 134283343 /nfs/dbraw/zinc/28/33/43/134283343.db2.gz ORAVHHWEYCKAJD-SSDOTTSWSA-N 1 2 237.250 -0.119 20 0 BBADLO C[N@@H+]1CCO[C@H](CNC(=O)NCC(F)F)C1 ZINC000174748470 134283342 /nfs/dbraw/zinc/28/33/42/134283342.db2.gz ORAVHHWEYCKAJD-SSDOTTSWSA-N 1 2 237.250 -0.119 20 0 BBADLO C[N@H+]1CCO[C@@H](CNC(=O)NCC(F)F)C1 ZINC000174748482 134283224 /nfs/dbraw/zinc/28/32/24/134283224.db2.gz ORAVHHWEYCKAJD-ZETCQYMHSA-N 1 2 237.250 -0.119 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNC(=O)NCC(F)F)C1 ZINC000174748482 134283223 /nfs/dbraw/zinc/28/32/23/134283223.db2.gz ORAVHHWEYCKAJD-ZETCQYMHSA-N 1 2 237.250 -0.119 20 0 BBADLO COC(=O)[C@@H]1C[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000174759032 536514864 /nfs/dbraw/zinc/51/48/64/536514864.db2.gz UEPCBJWULWZJFO-JGVFFNPUSA-N 1 2 237.259 -0.123 20 0 BBADLO COC(=O)[C@H]1C[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000174759041 134283405 /nfs/dbraw/zinc/28/34/05/134283405.db2.gz UEPCBJWULWZJFO-YUMQZZPRSA-N 1 2 237.259 -0.123 20 0 BBADLO COC(=O)[C@@H]1C[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000174759052 134283340 /nfs/dbraw/zinc/28/33/40/134283340.db2.gz UEPCBJWULWZJFO-HTQZYQBOSA-N 1 2 237.259 -0.123 20 0 BBADLO COC(=O)[C@H]1C[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000174759060 134283366 /nfs/dbraw/zinc/28/33/66/134283366.db2.gz UEPCBJWULWZJFO-SFYZADRCSA-N 1 2 237.259 -0.123 20 0 BBADLO C[N@@H+](CC(N)=O)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174784353 134283580 /nfs/dbraw/zinc/28/35/80/134283580.db2.gz FPGFXZKMPFTTAZ-BDAKNGLRSA-N 1 2 248.348 -0.241 20 0 BBADLO C[N@H+](CC(N)=O)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174784353 134283579 /nfs/dbraw/zinc/28/35/79/134283579.db2.gz FPGFXZKMPFTTAZ-BDAKNGLRSA-N 1 2 248.348 -0.241 20 0 BBADLO C[N@@H+](CC(N)=O)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174784365 134283509 /nfs/dbraw/zinc/28/35/09/134283509.db2.gz FPGFXZKMPFTTAZ-IUCAKERBSA-N 1 2 248.348 -0.241 20 0 BBADLO C[N@H+](CC(N)=O)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174784365 134283508 /nfs/dbraw/zinc/28/35/08/134283508.db2.gz FPGFXZKMPFTTAZ-IUCAKERBSA-N 1 2 248.348 -0.241 20 0 BBADLO CN(CCC[NH+]1CCOCC1)Cc1nnc[nH]1 ZINC000174809198 384366537 /nfs/dbraw/zinc/36/65/37/384366537.db2.gz OPVDATAIMDAZGY-UHFFFAOYSA-N 1 2 239.323 -0.041 20 0 BBADLO CN(CCC[NH+]1CCOCC1)Cc1nc[nH]n1 ZINC000174809198 384366525 /nfs/dbraw/zinc/36/65/25/384366525.db2.gz OPVDATAIMDAZGY-UHFFFAOYSA-N 1 2 239.323 -0.041 20 0 BBADLO CCOC(=O)C[NH+]1CCC(NC(N)=O)CC1 ZINC000174914926 535673679 /nfs/dbraw/zinc/67/36/79/535673679.db2.gz PPPICYVZOIYFBH-UHFFFAOYSA-N 1 2 229.280 -0.318 20 0 BBADLO C[C@@H]1C(=O)NCCN1c1[nH+]cnc2c1cnn2C ZINC000174922332 388419089 /nfs/dbraw/zinc/41/90/89/388419089.db2.gz UTSCDQOYIPYRMU-SSDOTTSWSA-N 1 2 246.274 -0.312 20 0 BBADLO C[C@H]1C(=O)NCCN1c1[nH+]cnc2c1cnn2C ZINC000174922353 388419293 /nfs/dbraw/zinc/41/92/93/388419293.db2.gz UTSCDQOYIPYRMU-ZETCQYMHSA-N 1 2 246.274 -0.312 20 0 BBADLO C[C@@H](C(N)=O)[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000174926435 388419402 /nfs/dbraw/zinc/41/94/02/388419402.db2.gz ZBZJDFQXYULWLS-VIFPVBQESA-N 1 2 237.307 -0.584 20 0 BBADLO C[C@H](C(N)=O)[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000174926454 388419096 /nfs/dbraw/zinc/41/90/96/388419096.db2.gz ZBZJDFQXYULWLS-SECBINFHSA-N 1 2 237.307 -0.584 20 0 BBADLO Cn1cc(N2CC[NH+](CC(N)=O)CC2)cn1 ZINC000174943228 388419812 /nfs/dbraw/zinc/41/98/12/388419812.db2.gz YAYMKSLSAHJGLO-UHFFFAOYSA-N 1 2 223.280 -0.973 20 0 BBADLO CNC(=O)C[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000175291870 173274664 /nfs/dbraw/zinc/27/46/64/173274664.db2.gz MWWWUMSJQPFSJE-UHFFFAOYSA-N 1 2 237.307 -0.712 20 0 BBADLO NC(=O)CCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000175442461 134287040 /nfs/dbraw/zinc/28/70/40/134287040.db2.gz NEGYUXHMCFSVCS-UHFFFAOYSA-N 1 2 232.243 -0.061 20 0 BBADLO CSCC[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000175446260 343008886 /nfs/dbraw/zinc/00/88/86/343008886.db2.gz ICGGCNBGKCLNJV-UHFFFAOYSA-N 1 2 238.378 -0.073 20 0 BBADLO COCCOCC[N@H+]1CCNC(=O)C1 ZINC000175524200 536502432 /nfs/dbraw/zinc/50/24/32/536502432.db2.gz GYJUJPDAKPJEOP-UHFFFAOYSA-N 1 2 202.254 -0.919 20 0 BBADLO COCCOCC[N@@H+]1CCNC(=O)C1 ZINC000175524200 536502429 /nfs/dbraw/zinc/50/24/29/536502429.db2.gz GYJUJPDAKPJEOP-UHFFFAOYSA-N 1 2 202.254 -0.919 20 0 BBADLO COCCOCC[N@H+]1CCN(C)C(=O)C1 ZINC000175709706 384948762 /nfs/dbraw/zinc/94/87/62/384948762.db2.gz SAJBGVVXVCRAJV-UHFFFAOYSA-N 1 2 216.281 -0.577 20 0 BBADLO COCCOCC[N@@H+]1CCN(C)C(=O)C1 ZINC000175709706 384948757 /nfs/dbraw/zinc/94/87/57/384948757.db2.gz SAJBGVVXVCRAJV-UHFFFAOYSA-N 1 2 216.281 -0.577 20 0 BBADLO Cc1nc(N2CCN3C(=O)NC[C@@H]3C2)cc[nH+]1 ZINC000175781798 384957245 /nfs/dbraw/zinc/95/72/45/384957245.db2.gz GDEWZOQRUSQOAE-SECBINFHSA-N 1 2 233.275 -0.001 20 0 BBADLO Cc1nc(N2CCN3C(=O)NC[C@H]3C2)cc[nH+]1 ZINC000175781821 384956334 /nfs/dbraw/zinc/95/63/34/384956334.db2.gz GDEWZOQRUSQOAE-VIFPVBQESA-N 1 2 233.275 -0.001 20 0 BBADLO CC[NH+]1CCN(C(=O)CCc2nc[nH]n2)CC1 ZINC000175842697 535616542 /nfs/dbraw/zinc/61/65/42/535616542.db2.gz YYPVQCVCDRXZRC-UHFFFAOYSA-N 1 2 237.307 -0.099 20 0 BBADLO CCCNC(=O)C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175899985 134288452 /nfs/dbraw/zinc/28/84/52/134288452.db2.gz DUEDIPUQBVLYLB-SECBINFHSA-N 1 2 240.307 -0.778 20 0 BBADLO CCCNC(=O)C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175899985 134288451 /nfs/dbraw/zinc/28/84/51/134288451.db2.gz DUEDIPUQBVLYLB-SECBINFHSA-N 1 2 240.307 -0.778 20 0 BBADLO CCCNC(=O)C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000175899999 134288274 /nfs/dbraw/zinc/28/82/74/134288274.db2.gz DUEDIPUQBVLYLB-VIFPVBQESA-N 1 2 240.307 -0.778 20 0 BBADLO CCCNC(=O)C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000175899999 134288273 /nfs/dbraw/zinc/28/82/73/134288273.db2.gz DUEDIPUQBVLYLB-VIFPVBQESA-N 1 2 240.307 -0.778 20 0 BBADLO CC[C@@H](C(=O)OC)[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175907916 535449340 /nfs/dbraw/zinc/44/93/40/535449340.db2.gz SWWUYVVPKVOWFL-BDAKNGLRSA-N 1 2 241.291 -0.353 20 0 BBADLO CC[C@@H](C(=O)OC)[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175907916 535449336 /nfs/dbraw/zinc/44/93/36/535449336.db2.gz SWWUYVVPKVOWFL-BDAKNGLRSA-N 1 2 241.291 -0.353 20 0 BBADLO CC[C@H](C(=O)OC)[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175907929 536101536 /nfs/dbraw/zinc/10/15/36/536101536.db2.gz SWWUYVVPKVOWFL-RKDXNWHRSA-N 1 2 241.291 -0.353 20 0 BBADLO CC[C@H](C(=O)OC)[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175907929 536101530 /nfs/dbraw/zinc/10/15/30/536101530.db2.gz SWWUYVVPKVOWFL-RKDXNWHRSA-N 1 2 241.291 -0.353 20 0 BBADLO CCOCCNC(=O)C[N@@H+](C)CC(=O)N(C)C ZINC000175914797 384515097 /nfs/dbraw/zinc/51/50/97/384515097.db2.gz SNWFSAYLJFRALI-UHFFFAOYSA-N 1 2 245.323 -0.841 20 0 BBADLO CCOCCNC(=O)C[N@H+](C)CC(=O)N(C)C ZINC000175914797 384515094 /nfs/dbraw/zinc/51/50/94/384515094.db2.gz SNWFSAYLJFRALI-UHFFFAOYSA-N 1 2 245.323 -0.841 20 0 BBADLO CC(C)NC(=O)C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175918900 134288459 /nfs/dbraw/zinc/28/84/59/134288459.db2.gz OVCHNZMHHKJMBD-SECBINFHSA-N 1 2 240.307 -0.780 20 0 BBADLO CC(C)NC(=O)C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175918900 134288458 /nfs/dbraw/zinc/28/84/58/134288458.db2.gz OVCHNZMHHKJMBD-SECBINFHSA-N 1 2 240.307 -0.780 20 0 BBADLO CC(C)NC(=O)C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000175918917 134288179 /nfs/dbraw/zinc/28/81/79/134288179.db2.gz OVCHNZMHHKJMBD-VIFPVBQESA-N 1 2 240.307 -0.780 20 0 BBADLO CC(C)NC(=O)C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000175918917 134288178 /nfs/dbraw/zinc/28/81/78/134288178.db2.gz OVCHNZMHHKJMBD-VIFPVBQESA-N 1 2 240.307 -0.780 20 0 BBADLO CCOCCNC(=O)C[N@H+]1CCC[C@@H]1C(N)=O ZINC000175957593 384517071 /nfs/dbraw/zinc/51/70/71/384517071.db2.gz ATMXYHORXYQEPG-SECBINFHSA-N 1 2 243.307 -0.911 20 0 BBADLO CCOCCNC(=O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000175957593 384517064 /nfs/dbraw/zinc/51/70/64/384517064.db2.gz ATMXYHORXYQEPG-SECBINFHSA-N 1 2 243.307 -0.911 20 0 BBADLO CCOCCNC(=O)C[N@H+]1CCC[C@H]1C(N)=O ZINC000175957609 384518331 /nfs/dbraw/zinc/51/83/31/384518331.db2.gz ATMXYHORXYQEPG-VIFPVBQESA-N 1 2 243.307 -0.911 20 0 BBADLO CCOCCNC(=O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000175957609 384518327 /nfs/dbraw/zinc/51/83/27/384518327.db2.gz ATMXYHORXYQEPG-VIFPVBQESA-N 1 2 243.307 -0.911 20 0 BBADLO COC(C)(C)C(=O)N1CC[NH+](CCO)CC1 ZINC000176390626 385106260 /nfs/dbraw/zinc/10/62/60/385106260.db2.gz JBAZPFBJFMUGLT-UHFFFAOYSA-N 1 2 230.308 -0.452 20 0 BBADLO CC(C)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000176576369 134292858 /nfs/dbraw/zinc/29/28/58/134292858.db2.gz RJDZDFYWWQPIHU-NSHDSACASA-N 1 2 244.335 -0.206 20 0 BBADLO CC(C)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000176576378 134292911 /nfs/dbraw/zinc/29/29/11/134292911.db2.gz RJDZDFYWWQPIHU-LLVKDONJSA-N 1 2 244.335 -0.206 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000176925036 134295043 /nfs/dbraw/zinc/29/50/43/134295043.db2.gz UHMPLMJHSBYHDK-DTWKUNHWSA-N 1 2 240.307 -0.828 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000176925036 134295042 /nfs/dbraw/zinc/29/50/42/134295042.db2.gz UHMPLMJHSBYHDK-DTWKUNHWSA-N 1 2 240.307 -0.828 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000176925050 134294808 /nfs/dbraw/zinc/29/48/08/134294808.db2.gz UHMPLMJHSBYHDK-RKDXNWHRSA-N 1 2 240.307 -0.828 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000176925050 134294807 /nfs/dbraw/zinc/29/48/07/134294807.db2.gz UHMPLMJHSBYHDK-RKDXNWHRSA-N 1 2 240.307 -0.828 20 0 BBADLO C[C@@H]1C(=O)NCCN1Cc1c[nH+]cn1C ZINC000177041114 176046237 /nfs/dbraw/zinc/04/62/37/176046237.db2.gz SLXXRNFULOWGSY-MRVPVSSYSA-N 1 2 208.265 -0.260 20 0 BBADLO C[C@H]1C(=O)NCCN1Cc1c[nH+]cn1C ZINC000177041133 177060219 /nfs/dbraw/zinc/06/02/19/177060219.db2.gz SLXXRNFULOWGSY-QMMMGPOBSA-N 1 2 208.265 -0.260 20 0 BBADLO Cn1c[nH+]cc1CN1CCN(C)C(=O)C1 ZINC000177124278 173090704 /nfs/dbraw/zinc/09/07/04/173090704.db2.gz AXZQDTNGBHXMEG-UHFFFAOYSA-N 1 2 208.265 -0.306 20 0 BBADLO CN(C)C(=O)C[N@@H+](C)Cc1cnccn1 ZINC000177238825 134296616 /nfs/dbraw/zinc/29/66/16/134296616.db2.gz CNFCZDRVVACQNT-UHFFFAOYSA-N 1 2 208.265 -0.003 20 0 BBADLO CN(C)C(=O)C[N@H+](C)Cc1cnccn1 ZINC000177238825 134296615 /nfs/dbraw/zinc/29/66/15/134296615.db2.gz CNFCZDRVVACQNT-UHFFFAOYSA-N 1 2 208.265 -0.003 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H](C(N)=O)O1 ZINC000177252067 384933106 /nfs/dbraw/zinc/93/31/06/384933106.db2.gz IWUNPJYVSFYXGR-PSASIEDQSA-N 1 2 238.291 -0.505 20 0 BBADLO C[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H](C(N)=O)O1 ZINC000177252067 384933098 /nfs/dbraw/zinc/93/30/98/384933098.db2.gz IWUNPJYVSFYXGR-PSASIEDQSA-N 1 2 238.291 -0.505 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H](C(N)=O)O1 ZINC000177252087 384930639 /nfs/dbraw/zinc/93/06/39/384930639.db2.gz IWUNPJYVSFYXGR-SCZZXKLOSA-N 1 2 238.291 -0.505 20 0 BBADLO C[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H](C(N)=O)O1 ZINC000177252087 384930632 /nfs/dbraw/zinc/93/06/32/384930632.db2.gz IWUNPJYVSFYXGR-SCZZXKLOSA-N 1 2 238.291 -0.505 20 0 BBADLO CC(C)N1CC[C@H]([N@H+]2CCNC(=O)CC2)C1=O ZINC000177671262 134300825 /nfs/dbraw/zinc/30/08/25/134300825.db2.gz ZEIOCBFHYZXVGM-JTQLQIEISA-N 1 2 239.319 -0.182 20 0 BBADLO CC(C)N1CC[C@H]([N@@H+]2CCNC(=O)CC2)C1=O ZINC000177671262 134300824 /nfs/dbraw/zinc/30/08/24/134300824.db2.gz ZEIOCBFHYZXVGM-JTQLQIEISA-N 1 2 239.319 -0.182 20 0 BBADLO CC(C)N1CC[C@@H]([N@H+]2CCNC(=O)CC2)C1=O ZINC000177671276 535228123 /nfs/dbraw/zinc/22/81/23/535228123.db2.gz ZEIOCBFHYZXVGM-SNVBAGLBSA-N 1 2 239.319 -0.182 20 0 BBADLO CC(C)N1CC[C@@H]([N@@H+]2CCNC(=O)CC2)C1=O ZINC000177671276 535228121 /nfs/dbraw/zinc/22/81/21/535228121.db2.gz ZEIOCBFHYZXVGM-SNVBAGLBSA-N 1 2 239.319 -0.182 20 0 BBADLO COc1ncnc2c1C[N@@H+](CCO)CC2 ZINC000177697949 346936183 /nfs/dbraw/zinc/93/61/83/346936183.db2.gz QTSUQEZCCYAPFS-UHFFFAOYSA-N 1 2 209.249 -0.164 20 0 BBADLO COc1ncnc2c1C[N@H+](CCO)CC2 ZINC000177697949 346936179 /nfs/dbraw/zinc/93/61/79/346936179.db2.gz QTSUQEZCCYAPFS-UHFFFAOYSA-N 1 2 209.249 -0.164 20 0 BBADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)CCO ZINC000177722302 346937167 /nfs/dbraw/zinc/93/71/67/346937167.db2.gz ATUKWIGEROQXBJ-MRVPVSSYSA-N 1 2 209.311 -0.266 20 0 BBADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)CCO ZINC000177722302 346937166 /nfs/dbraw/zinc/93/71/66/346937166.db2.gz ATUKWIGEROQXBJ-MRVPVSSYSA-N 1 2 209.311 -0.266 20 0 BBADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)CCO ZINC000177722317 346937239 /nfs/dbraw/zinc/93/72/39/346937239.db2.gz ATUKWIGEROQXBJ-QMMMGPOBSA-N 1 2 209.311 -0.266 20 0 BBADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)CCO ZINC000177722317 346937238 /nfs/dbraw/zinc/93/72/38/346937238.db2.gz ATUKWIGEROQXBJ-QMMMGPOBSA-N 1 2 209.311 -0.266 20 0 BBADLO C[C@@H](CS(C)(=O)=O)[N@@H+](CCO)C1CC1 ZINC000177722863 346937144 /nfs/dbraw/zinc/93/71/44/346937144.db2.gz DSARGWFMLMVHRB-QMMMGPOBSA-N 1 2 221.322 -0.124 20 0 BBADLO C[C@@H](CS(C)(=O)=O)[N@H+](CCO)C1CC1 ZINC000177722863 346937141 /nfs/dbraw/zinc/93/71/41/346937141.db2.gz DSARGWFMLMVHRB-QMMMGPOBSA-N 1 2 221.322 -0.124 20 0 BBADLO C[C@H](CS(C)(=O)=O)[N@@H+](CCO)C1CC1 ZINC000177722873 346937065 /nfs/dbraw/zinc/93/70/65/346937065.db2.gz DSARGWFMLMVHRB-MRVPVSSYSA-N 1 2 221.322 -0.124 20 0 BBADLO C[C@H](CS(C)(=O)=O)[N@H+](CCO)C1CC1 ZINC000177722873 346937062 /nfs/dbraw/zinc/93/70/62/346937062.db2.gz DSARGWFMLMVHRB-MRVPVSSYSA-N 1 2 221.322 -0.124 20 0 BBADLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1CCO ZINC000177733279 134300098 /nfs/dbraw/zinc/30/00/98/134300098.db2.gz QDZSOKCVOXLICK-HTQZYQBOSA-N 1 2 203.238 -0.759 20 0 BBADLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1CCO ZINC000177733279 134300097 /nfs/dbraw/zinc/30/00/97/134300097.db2.gz QDZSOKCVOXLICK-HTQZYQBOSA-N 1 2 203.238 -0.759 20 0 BBADLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1CCO ZINC000177733295 346937745 /nfs/dbraw/zinc/93/77/45/346937745.db2.gz QDZSOKCVOXLICK-JGVFFNPUSA-N 1 2 203.238 -0.759 20 0 BBADLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1CCO ZINC000177733295 346937743 /nfs/dbraw/zinc/93/77/43/346937743.db2.gz QDZSOKCVOXLICK-JGVFFNPUSA-N 1 2 203.238 -0.759 20 0 BBADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1CCO ZINC000177733309 346937767 /nfs/dbraw/zinc/93/77/67/346937767.db2.gz QDZSOKCVOXLICK-SFYZADRCSA-N 1 2 203.238 -0.759 20 0 BBADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1CCO ZINC000177733309 346937764 /nfs/dbraw/zinc/93/77/64/346937764.db2.gz QDZSOKCVOXLICK-SFYZADRCSA-N 1 2 203.238 -0.759 20 0 BBADLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1CCO ZINC000177733325 346938300 /nfs/dbraw/zinc/93/83/00/346938300.db2.gz QDZSOKCVOXLICK-YUMQZZPRSA-N 1 2 203.238 -0.759 20 0 BBADLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1CCO ZINC000177733325 346938297 /nfs/dbraw/zinc/93/82/97/346938297.db2.gz QDZSOKCVOXLICK-YUMQZZPRSA-N 1 2 203.238 -0.759 20 0 BBADLO NS(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177786233 134300084 /nfs/dbraw/zinc/30/00/84/134300084.db2.gz JVCBOLVEBNCVMV-UHFFFAOYSA-N 1 2 226.261 -0.373 20 0 BBADLO CC[C@@H](C(=O)NCCS(C)(=O)=O)[NH+](C)C ZINC000177948958 632909605 /nfs/dbraw/zinc/90/96/05/632909605.db2.gz VLIGUVVXEKGJNZ-QMMMGPOBSA-N 1 2 236.337 -0.513 20 0 BBADLO CC[C@H](C(=O)NCCS(C)(=O)=O)[NH+](C)C ZINC000177948970 711504006 /nfs/dbraw/zinc/50/40/06/711504006.db2.gz VLIGUVVXEKGJNZ-MRVPVSSYSA-N 1 2 236.337 -0.513 20 0 BBADLO C[C@]1(O)CC[N@@H+](CC(=O)Nc2nncs2)C1 ZINC000177979089 385314890 /nfs/dbraw/zinc/31/48/90/385314890.db2.gz MYQOLNKQOSOXON-VIFPVBQESA-N 1 2 242.304 -0.067 20 0 BBADLO C[C@]1(O)CC[N@H+](CC(=O)Nc2nncs2)C1 ZINC000177979089 385314887 /nfs/dbraw/zinc/31/48/87/385314887.db2.gz MYQOLNKQOSOXON-VIFPVBQESA-N 1 2 242.304 -0.067 20 0 BBADLO C[C@@]1(O)CC[N@@H+](CC(=O)Nc2nncs2)C1 ZINC000177979101 385313871 /nfs/dbraw/zinc/31/38/71/385313871.db2.gz MYQOLNKQOSOXON-SECBINFHSA-N 1 2 242.304 -0.067 20 0 BBADLO C[C@@]1(O)CC[N@H+](CC(=O)Nc2nncs2)C1 ZINC000177979101 385313866 /nfs/dbraw/zinc/31/38/66/385313866.db2.gz MYQOLNKQOSOXON-SECBINFHSA-N 1 2 242.304 -0.067 20 0 BBADLO Cn1cnc(C(=O)NCC[NH+]2CCOCC2)c1 ZINC000178154809 385339186 /nfs/dbraw/zinc/33/91/86/385339186.db2.gz FLDLDEPKTKRQLW-UHFFFAOYSA-N 1 2 238.291 -0.518 20 0 BBADLO COC(=O)N1CC([NH2+]Cc2ncc[nH]2)C1 ZINC000178170977 385203491 /nfs/dbraw/zinc/20/34/91/385203491.db2.gz BENCLOACROXYHB-UHFFFAOYSA-N 1 2 210.237 -0.050 20 0 BBADLO CCN(C)C(=O)CC[N@H+]1CCNC(=O)C1 ZINC000178183572 385203663 /nfs/dbraw/zinc/20/36/63/385203663.db2.gz RKJZTHLBNXXFBU-UHFFFAOYSA-N 1 2 213.281 -0.713 20 0 BBADLO CCN(C)C(=O)CC[N@@H+]1CCNC(=O)C1 ZINC000178183572 385203658 /nfs/dbraw/zinc/20/36/58/385203658.db2.gz RKJZTHLBNXXFBU-UHFFFAOYSA-N 1 2 213.281 -0.713 20 0 BBADLO O=C1NCC[C@H]1[NH+]1CCN(c2ncccn2)CC1 ZINC000178183664 385341975 /nfs/dbraw/zinc/34/19/75/385341975.db2.gz MEUZFJNBDLNMDK-SNVBAGLBSA-N 1 2 247.302 -0.513 20 0 BBADLO O=C1NCC[C@@H]1[NH+]1CCN(c2ncccn2)CC1 ZINC000178183678 385341278 /nfs/dbraw/zinc/34/12/78/385341278.db2.gz MEUZFJNBDLNMDK-JTQLQIEISA-N 1 2 247.302 -0.513 20 0 BBADLO CCN(C)C(=O)CC[N@@H+](C)CC(=O)OC ZINC000178187133 366102682 /nfs/dbraw/zinc/10/26/82/366102682.db2.gz KRLPOBQBTHGEJH-UHFFFAOYSA-N 1 2 216.281 -0.040 20 0 BBADLO CCN(C)C(=O)CC[N@H+](C)CC(=O)OC ZINC000178187133 366102673 /nfs/dbraw/zinc/10/26/73/366102673.db2.gz KRLPOBQBTHGEJH-UHFFFAOYSA-N 1 2 216.281 -0.040 20 0 BBADLO O=C1NCC[C@H]1[NH+]1CCN(c2cnccn2)CC1 ZINC000178193434 385343678 /nfs/dbraw/zinc/34/36/78/385343678.db2.gz ZDDOWSSITMOVHV-SNVBAGLBSA-N 1 2 247.302 -0.513 20 0 BBADLO O=C1NCC[C@@H]1[NH+]1CCN(c2cnccn2)CC1 ZINC000178193445 385344607 /nfs/dbraw/zinc/34/46/07/385344607.db2.gz ZDDOWSSITMOVHV-JTQLQIEISA-N 1 2 247.302 -0.513 20 0 BBADLO O=C1NCC[C@H]1[NH+]1CCN(c2cccnn2)CC1 ZINC000178196018 134304771 /nfs/dbraw/zinc/30/47/71/134304771.db2.gz JBBOSGFRKNPRDV-SNVBAGLBSA-N 1 2 247.302 -0.513 20 0 BBADLO O=C1NCC[C@@H]1[NH+]1CCN(c2cccnn2)CC1 ZINC000178196031 134304729 /nfs/dbraw/zinc/30/47/29/134304729.db2.gz JBBOSGFRKNPRDV-JTQLQIEISA-N 1 2 247.302 -0.513 20 0 BBADLO COC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CCO1 ZINC000178204954 385207351 /nfs/dbraw/zinc/20/73/51/385207351.db2.gz ZZCLMLXDDXGHSK-DTWKUNHWSA-N 1 2 214.265 -0.778 20 0 BBADLO COC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CCO1 ZINC000178204954 385207340 /nfs/dbraw/zinc/20/73/40/385207340.db2.gz ZZCLMLXDDXGHSK-DTWKUNHWSA-N 1 2 214.265 -0.778 20 0 BBADLO COC[C@H]1C[N@H+]([C@@H]2CCNC2=O)CCO1 ZINC000178204968 385207608 /nfs/dbraw/zinc/20/76/08/385207608.db2.gz ZZCLMLXDDXGHSK-RKDXNWHRSA-N 1 2 214.265 -0.778 20 0 BBADLO COC[C@H]1C[N@@H+]([C@@H]2CCNC2=O)CCO1 ZINC000178204968 385207601 /nfs/dbraw/zinc/20/76/01/385207601.db2.gz ZZCLMLXDDXGHSK-RKDXNWHRSA-N 1 2 214.265 -0.778 20 0 BBADLO Cn1cc(N2CC[NH+]([C@@H]3CCNC3=O)CC2)cn1 ZINC000178207176 134305150 /nfs/dbraw/zinc/30/51/50/134305150.db2.gz RCJFJCAREBKSSL-LLVKDONJSA-N 1 2 249.318 -0.569 20 0 BBADLO Cn1cc(N2CC[NH+]([C@H]3CCNC3=O)CC2)cn1 ZINC000178207186 134305102 /nfs/dbraw/zinc/30/51/02/134305102.db2.gz RCJFJCAREBKSSL-NSHDSACASA-N 1 2 249.318 -0.569 20 0 BBADLO O=C1NCC[C@H]1[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000178208419 366104440 /nfs/dbraw/zinc/10/44/40/366104440.db2.gz IBLSHSSSWIKPKC-HTRCEHHLSA-N 1 2 238.209 -0.126 20 0 BBADLO O=C1NCC[C@H]1[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000178208419 366104433 /nfs/dbraw/zinc/10/44/33/366104433.db2.gz IBLSHSSSWIKPKC-HTRCEHHLSA-N 1 2 238.209 -0.126 20 0 BBADLO O=C1NCC[C@@H]1[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000178208429 366104368 /nfs/dbraw/zinc/10/43/68/366104368.db2.gz IBLSHSSSWIKPKC-POYBYMJQSA-N 1 2 238.209 -0.126 20 0 BBADLO O=C1NCC[C@@H]1[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000178208429 366104358 /nfs/dbraw/zinc/10/43/58/366104358.db2.gz IBLSHSSSWIKPKC-POYBYMJQSA-N 1 2 238.209 -0.126 20 0 BBADLO CC(C)S(=O)(=O)CC[N@@H+](C)CCO ZINC000178210008 633003773 /nfs/dbraw/zinc/00/37/73/633003773.db2.gz VBVWAYZETUBMSJ-UHFFFAOYSA-N 1 2 209.311 -0.266 20 0 BBADLO CC(C)S(=O)(=O)CC[N@H+](C)CCO ZINC000178210008 633003769 /nfs/dbraw/zinc/00/37/69/633003769.db2.gz VBVWAYZETUBMSJ-UHFFFAOYSA-N 1 2 209.311 -0.266 20 0 BBADLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCCF ZINC000178257641 346950294 /nfs/dbraw/zinc/95/02/94/346950294.db2.gz QLLRNOLQEIJENK-MRVPVSSYSA-N 1 2 232.255 -0.291 20 0 BBADLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCCF ZINC000178257641 346950290 /nfs/dbraw/zinc/95/02/90/346950290.db2.gz QLLRNOLQEIJENK-MRVPVSSYSA-N 1 2 232.255 -0.291 20 0 BBADLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCCF ZINC000178257654 536347722 /nfs/dbraw/zinc/34/77/22/536347722.db2.gz QLLRNOLQEIJENK-QMMMGPOBSA-N 1 2 232.255 -0.291 20 0 BBADLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCCF ZINC000178257654 536347719 /nfs/dbraw/zinc/34/77/19/536347719.db2.gz QLLRNOLQEIJENK-QMMMGPOBSA-N 1 2 232.255 -0.291 20 0 BBADLO Cn1cc(C[N@@H+](C)[C@@H]2CCNC2=O)cn1 ZINC000178283592 385226973 /nfs/dbraw/zinc/22/69/73/385226973.db2.gz XMSLWIPWOXOKJR-SECBINFHSA-N 1 2 208.265 -0.260 20 0 BBADLO Cn1cc(C[N@H+](C)[C@@H]2CCNC2=O)cn1 ZINC000178283592 385226963 /nfs/dbraw/zinc/22/69/63/385226963.db2.gz XMSLWIPWOXOKJR-SECBINFHSA-N 1 2 208.265 -0.260 20 0 BBADLO Cn1cc(C[N@@H+](C)[C@H]2CCNC2=O)cn1 ZINC000178283609 385227623 /nfs/dbraw/zinc/22/76/23/385227623.db2.gz XMSLWIPWOXOKJR-VIFPVBQESA-N 1 2 208.265 -0.260 20 0 BBADLO Cn1cc(C[N@H+](C)[C@H]2CCNC2=O)cn1 ZINC000178283609 385227616 /nfs/dbraw/zinc/22/76/16/385227616.db2.gz XMSLWIPWOXOKJR-VIFPVBQESA-N 1 2 208.265 -0.260 20 0 BBADLO CCN(CC)C(=O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC000178283981 535426597 /nfs/dbraw/zinc/42/65/97/535426597.db2.gz VMNXJXHGZCZEQU-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CCN(CC)C(=O)C[N@H+](C)[C@@H]1CCNC1=O ZINC000178283981 535426594 /nfs/dbraw/zinc/42/65/94/535426594.db2.gz VMNXJXHGZCZEQU-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CCN(CC)C(=O)C[N@@H+](C)[C@H]1CCNC1=O ZINC000178283992 134305777 /nfs/dbraw/zinc/30/57/77/134305777.db2.gz VMNXJXHGZCZEQU-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO CCN(CC)C(=O)C[N@H+](C)[C@H]1CCNC1=O ZINC000178283992 134305776 /nfs/dbraw/zinc/30/57/76/134305776.db2.gz VMNXJXHGZCZEQU-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO CCNC(=O)N1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000178284623 366112386 /nfs/dbraw/zinc/11/23/86/366112386.db2.gz JAROFEOPNHFXBV-SECBINFHSA-N 1 2 240.307 -0.778 20 0 BBADLO CCNC(=O)N1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000178284638 366111876 /nfs/dbraw/zinc/11/18/76/366111876.db2.gz JAROFEOPNHFXBV-VIFPVBQESA-N 1 2 240.307 -0.778 20 0 BBADLO O=C1NCC[C@H]1[N@H+]1CCC2(C1)OCCO2 ZINC000178302228 633221942 /nfs/dbraw/zinc/22/19/42/633221942.db2.gz PBTATUALOFCYSV-MRVPVSSYSA-N 1 2 212.249 -0.676 20 0 BBADLO O=C1NCC[C@H]1[N@@H+]1CCC2(C1)OCCO2 ZINC000178302228 633221936 /nfs/dbraw/zinc/22/19/36/633221936.db2.gz PBTATUALOFCYSV-MRVPVSSYSA-N 1 2 212.249 -0.676 20 0 BBADLO O=C1NCC[C@@H]1[N@H+]1CCC2(C1)OCCO2 ZINC000178302245 633221587 /nfs/dbraw/zinc/22/15/87/633221587.db2.gz PBTATUALOFCYSV-QMMMGPOBSA-N 1 2 212.249 -0.676 20 0 BBADLO O=C1NCC[C@@H]1[N@@H+]1CCC2(C1)OCCO2 ZINC000178302245 633221585 /nfs/dbraw/zinc/22/15/85/633221585.db2.gz PBTATUALOFCYSV-QMMMGPOBSA-N 1 2 212.249 -0.676 20 0 BBADLO CCOC(=O)C(C)(C)[NH2+]C[C@H](O)COC ZINC000178602942 385302431 /nfs/dbraw/zinc/30/24/31/385302431.db2.gz YSUBWIHOGYFBDG-QMMMGPOBSA-N 1 2 219.281 -0.075 20 0 BBADLO CSCCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178606231 134312045 /nfs/dbraw/zinc/31/20/45/134312045.db2.gz GXTPXOKIZHZUMF-SNVBAGLBSA-N 1 2 243.376 -0.145 20 0 BBADLO CSCCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178606238 134312159 /nfs/dbraw/zinc/31/21/59/134312159.db2.gz GXTPXOKIZHZUMF-JTQLQIEISA-N 1 2 243.376 -0.145 20 0 BBADLO C[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178621855 134312236 /nfs/dbraw/zinc/31/22/36/134312236.db2.gz BOMUYKPWDYQKFK-MXWKQRLJSA-N 1 2 223.320 -0.242 20 0 BBADLO C[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178621862 538953392 /nfs/dbraw/zinc/95/33/92/538953392.db2.gz BOMUYKPWDYQKFK-AXFHLTTASA-N 1 2 223.320 -0.242 20 0 BBADLO C[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178621873 134312108 /nfs/dbraw/zinc/31/21/08/134312108.db2.gz BOMUYKPWDYQKFK-GMTAPVOTSA-N 1 2 223.320 -0.242 20 0 BBADLO COCCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178632054 134312541 /nfs/dbraw/zinc/31/25/41/134312541.db2.gz SESOROFNRIKPTQ-SNVBAGLBSA-N 1 2 227.308 -0.861 20 0 BBADLO COCCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178632064 134312453 /nfs/dbraw/zinc/31/24/53/134312453.db2.gz SESOROFNRIKPTQ-JTQLQIEISA-N 1 2 227.308 -0.861 20 0 BBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1CCCO1 ZINC000178635568 134312588 /nfs/dbraw/zinc/31/25/88/134312588.db2.gz FBGGUFVNJYGFOK-GHMZBOCLSA-N 1 2 239.319 -0.719 20 0 BBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1CCCO1 ZINC000178635579 134312625 /nfs/dbraw/zinc/31/26/25/134312625.db2.gz FBGGUFVNJYGFOK-MNOVXSKESA-N 1 2 239.319 -0.719 20 0 BBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1CCCO1 ZINC000178635588 134312583 /nfs/dbraw/zinc/31/25/83/134312583.db2.gz FBGGUFVNJYGFOK-WDEREUQCSA-N 1 2 239.319 -0.719 20 0 BBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1CCCO1 ZINC000178635600 134312374 /nfs/dbraw/zinc/31/23/74/134312374.db2.gz FBGGUFVNJYGFOK-QWRGUYRKSA-N 1 2 239.319 -0.719 20 0 BBADLO CS[C@@H](C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178639527 134312592 /nfs/dbraw/zinc/31/25/92/134312592.db2.gz UELMPXGSYKNKQG-VHSXEESVSA-N 1 2 243.376 -0.146 20 0 BBADLO CS[C@H](C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178639542 134312422 /nfs/dbraw/zinc/31/24/22/134312422.db2.gz UELMPXGSYKNKQG-NXEZZACHSA-N 1 2 243.376 -0.146 20 0 BBADLO CS[C@@H](C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178639554 134312300 /nfs/dbraw/zinc/31/23/00/134312300.db2.gz UELMPXGSYKNKQG-UWVGGRQHSA-N 1 2 243.376 -0.146 20 0 BBADLO CS[C@H](C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178639568 134312397 /nfs/dbraw/zinc/31/23/97/134312397.db2.gz UELMPXGSYKNKQG-ZJUUUORDSA-N 1 2 243.376 -0.146 20 0 BBADLO COCCCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178647091 134312467 /nfs/dbraw/zinc/31/24/67/134312467.db2.gz JACSLDPFAPRVLH-LLVKDONJSA-N 1 2 241.335 -0.471 20 0 BBADLO COCCCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178647106 134312533 /nfs/dbraw/zinc/31/25/33/134312533.db2.gz JACSLDPFAPRVLH-NSHDSACASA-N 1 2 241.335 -0.471 20 0 BBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1CCOC1 ZINC000178649716 134312433 /nfs/dbraw/zinc/31/24/33/134312433.db2.gz JASIHMLEZGZLMQ-GHMZBOCLSA-N 1 2 239.319 -0.861 20 0 BBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1CCOC1 ZINC000178649734 134312350 /nfs/dbraw/zinc/31/23/50/134312350.db2.gz JASIHMLEZGZLMQ-WDEREUQCSA-N 1 2 239.319 -0.861 20 0 BBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1CCOC1 ZINC000178649749 134312310 /nfs/dbraw/zinc/31/23/10/134312310.db2.gz JASIHMLEZGZLMQ-MNOVXSKESA-N 1 2 239.319 -0.861 20 0 BBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1CCOC1 ZINC000178649765 346961315 /nfs/dbraw/zinc/96/13/15/346961315.db2.gz JASIHMLEZGZLMQ-QWRGUYRKSA-N 1 2 239.319 -0.861 20 0 BBADLO Cn1cccc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178650646 385404377 /nfs/dbraw/zinc/40/43/77/385404377.db2.gz BRUVXSKGRPNZLI-LLVKDONJSA-N 1 2 248.330 -0.245 20 0 BBADLO Cn1cccc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178650656 385403564 /nfs/dbraw/zinc/40/35/64/385403564.db2.gz BRUVXSKGRPNZLI-NSHDSACASA-N 1 2 248.330 -0.245 20 0 BBADLO CSCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178653135 536922511 /nfs/dbraw/zinc/92/25/11/536922511.db2.gz NNQLYKPDKXEBCS-SECBINFHSA-N 1 2 229.349 -0.535 20 0 BBADLO CSCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178653148 134312444 /nfs/dbraw/zinc/31/24/44/134312444.db2.gz NNQLYKPDKXEBCS-VIFPVBQESA-N 1 2 229.349 -0.535 20 0 BBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccncc1 ZINC000178659046 182228179 /nfs/dbraw/zinc/22/81/79/182228179.db2.gz VHEMJDAUISOSKW-GFCCVEGCSA-N 1 2 246.314 -0.189 20 0 BBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccncc1 ZINC000178659062 182244989 /nfs/dbraw/zinc/24/49/89/182244989.db2.gz VHEMJDAUISOSKW-LBPRGKRZSA-N 1 2 246.314 -0.189 20 0 BBADLO Cc1cc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)[nH]n1 ZINC000178659925 385405443 /nfs/dbraw/zinc/40/54/43/385405443.db2.gz KTWGOCLJVYILRG-SNVBAGLBSA-N 1 2 249.318 -0.552 20 0 BBADLO Cc1cc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)[nH]n1 ZINC000178659938 385405292 /nfs/dbraw/zinc/40/52/92/385405292.db2.gz KTWGOCLJVYILRG-JTQLQIEISA-N 1 2 249.318 -0.552 20 0 BBADLO CO[C@@H](C)CC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178717945 134310409 /nfs/dbraw/zinc/31/04/09/134310409.db2.gz FCPOBULTAJXJAK-WDEREUQCSA-N 1 2 241.335 -0.473 20 0 BBADLO CO[C@H](C)CC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178717954 134310445 /nfs/dbraw/zinc/31/04/45/134310445.db2.gz FCPOBULTAJXJAK-GHMZBOCLSA-N 1 2 241.335 -0.473 20 0 BBADLO CO[C@@H](C)CC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178717967 346963862 /nfs/dbraw/zinc/96/38/62/346963862.db2.gz FCPOBULTAJXJAK-QWRGUYRKSA-N 1 2 241.335 -0.473 20 0 BBADLO CO[C@H](C)CC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178717977 346963721 /nfs/dbraw/zinc/96/37/21/346963721.db2.gz FCPOBULTAJXJAK-MNOVXSKESA-N 1 2 241.335 -0.473 20 0 BBADLO Cn1cc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cn1 ZINC000178718706 385414590 /nfs/dbraw/zinc/41/45/90/385414590.db2.gz LYJFFPNSBVXGBK-LLVKDONJSA-N 1 2 249.318 -0.850 20 0 BBADLO Cn1cc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)cn1 ZINC000178718719 385413992 /nfs/dbraw/zinc/41/39/92/385413992.db2.gz LYJFFPNSBVXGBK-NSHDSACASA-N 1 2 249.318 -0.850 20 0 BBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccc[nH]1 ZINC000178721761 538953932 /nfs/dbraw/zinc/95/39/32/538953932.db2.gz ZOSZOMZIICTNRK-SNVBAGLBSA-N 1 2 234.303 -0.256 20 0 BBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccc[nH]1 ZINC000178721774 538954118 /nfs/dbraw/zinc/95/41/18/538954118.db2.gz ZOSZOMZIICTNRK-JTQLQIEISA-N 1 2 234.303 -0.256 20 0 BBADLO CO[C@@H](C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178721934 536859217 /nfs/dbraw/zinc/85/92/17/536859217.db2.gz UAYPRRRRKXXZRY-VHSXEESVSA-N 1 2 227.308 -0.863 20 0 BBADLO CO[C@H](C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178721942 134310508 /nfs/dbraw/zinc/31/05/08/134310508.db2.gz UAYPRRRRKXXZRY-NXEZZACHSA-N 1 2 227.308 -0.863 20 0 BBADLO CO[C@@H](C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178721951 536858210 /nfs/dbraw/zinc/85/82/10/536858210.db2.gz UAYPRRRRKXXZRY-UWVGGRQHSA-N 1 2 227.308 -0.863 20 0 BBADLO CO[C@H](C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178721964 134310587 /nfs/dbraw/zinc/31/05/87/134310587.db2.gz UAYPRRRRKXXZRY-ZJUUUORDSA-N 1 2 227.308 -0.863 20 0 BBADLO CCOCCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178723988 535456400 /nfs/dbraw/zinc/45/64/00/535456400.db2.gz GBUHIGRSSTWHHD-LLVKDONJSA-N 1 2 241.335 -0.471 20 0 BBADLO CCOCCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178723996 134310583 /nfs/dbraw/zinc/31/05/83/134310583.db2.gz GBUHIGRSSTWHHD-NSHDSACASA-N 1 2 241.335 -0.471 20 0 BBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cccnc1 ZINC000178724560 182228293 /nfs/dbraw/zinc/22/82/93/182228293.db2.gz MWPBMXOIBOPZHK-GFCCVEGCSA-N 1 2 246.314 -0.189 20 0 BBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cccnc1 ZINC000178724570 182245782 /nfs/dbraw/zinc/24/57/82/182245782.db2.gz MWPBMXOIBOPZHK-LBPRGKRZSA-N 1 2 246.314 -0.189 20 0 BBADLO COC(C)(C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178725207 134310665 /nfs/dbraw/zinc/31/06/65/134310665.db2.gz NDJOBVRGDBRMNT-SNVBAGLBSA-N 1 2 241.335 -0.473 20 0 BBADLO COC(C)(C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178725218 134310533 /nfs/dbraw/zinc/31/05/33/134310533.db2.gz NDJOBVRGDBRMNT-JTQLQIEISA-N 1 2 241.335 -0.473 20 0 BBADLO Cn1nccc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178725589 385415871 /nfs/dbraw/zinc/41/58/71/385415871.db2.gz XJWNSAHNGURNED-SNVBAGLBSA-N 1 2 249.318 -0.850 20 0 BBADLO Cn1nccc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178725598 385415900 /nfs/dbraw/zinc/41/59/00/385415900.db2.gz XJWNSAHNGURNED-JTQLQIEISA-N 1 2 249.318 -0.850 20 0 BBADLO CC1(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CC1 ZINC000178725808 134310396 /nfs/dbraw/zinc/31/03/96/134310396.db2.gz DCRXYQCQNBQVHS-SNVBAGLBSA-N 1 2 223.320 -0.098 20 0 BBADLO CC1(C(=O)NC[C@H]2C[NH+]3CCN2CC3)CC1 ZINC000178725820 134310568 /nfs/dbraw/zinc/31/05/68/134310568.db2.gz DCRXYQCQNBQVHS-JTQLQIEISA-N 1 2 223.320 -0.098 20 0 BBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccon1 ZINC000178728946 182228144 /nfs/dbraw/zinc/22/81/44/182228144.db2.gz CMPHWOWTCQFUHI-SECBINFHSA-N 1 2 236.275 -0.596 20 0 BBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccon1 ZINC000178728952 182244810 /nfs/dbraw/zinc/24/48/10/182244810.db2.gz CMPHWOWTCQFUHI-VIFPVBQESA-N 1 2 236.275 -0.596 20 0 BBADLO CCCOCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178730309 134310906 /nfs/dbraw/zinc/31/09/06/134310906.db2.gz OANXNQAMWSMTMB-LLVKDONJSA-N 1 2 241.335 -0.471 20 0 BBADLO CCCOCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178730321 535228097 /nfs/dbraw/zinc/22/80/97/535228097.db2.gz OANXNQAMWSMTMB-NSHDSACASA-N 1 2 241.335 -0.471 20 0 BBADLO CCO[C@@H](C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178735466 134311122 /nfs/dbraw/zinc/31/11/22/134311122.db2.gz SJLRBRQBMMBYKQ-WDEREUQCSA-N 1 2 241.335 -0.473 20 0 BBADLO CCO[C@H](C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178735476 134310716 /nfs/dbraw/zinc/31/07/16/134310716.db2.gz SJLRBRQBMMBYKQ-GHMZBOCLSA-N 1 2 241.335 -0.473 20 0 BBADLO CCO[C@@H](C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178735483 134311040 /nfs/dbraw/zinc/31/10/40/134311040.db2.gz SJLRBRQBMMBYKQ-QWRGUYRKSA-N 1 2 241.335 -0.473 20 0 BBADLO CCO[C@H](C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178735493 134310725 /nfs/dbraw/zinc/31/07/25/134310725.db2.gz SJLRBRQBMMBYKQ-MNOVXSKESA-N 1 2 241.335 -0.473 20 0 BBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccn[nH]1 ZINC000178736238 182228280 /nfs/dbraw/zinc/22/82/80/182228280.db2.gz FIRZKVLRVHRIMK-SECBINFHSA-N 1 2 235.291 -0.861 20 0 BBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccn[nH]1 ZINC000178736246 182245522 /nfs/dbraw/zinc/24/55/22/182245522.db2.gz FIRZKVLRVHRIMK-VIFPVBQESA-N 1 2 235.291 -0.861 20 0 BBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccnnc1 ZINC000179024612 182227702 /nfs/dbraw/zinc/22/77/02/182227702.db2.gz CBMWWQZLDFWPRT-LLVKDONJSA-N 1 2 247.302 -0.794 20 0 BBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccnnc1 ZINC000179024623 182244813 /nfs/dbraw/zinc/24/48/13/182244813.db2.gz CBMWWQZLDFWPRT-NSHDSACASA-N 1 2 247.302 -0.794 20 0 BBADLO CN(C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000179044559 346732761 /nfs/dbraw/zinc/73/27/61/346732761.db2.gz FZJHUHDFHPLGGS-SECBINFHSA-N 1 2 212.297 -0.743 20 0 BBADLO CN(C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000179044571 366200837 /nfs/dbraw/zinc/20/08/37/366200837.db2.gz FZJHUHDFHPLGGS-VIFPVBQESA-N 1 2 212.297 -0.743 20 0 BBADLO C[N@H+]1CCO[C@H](CNC(=O)CC[S@](C)=O)C1 ZINC000179157912 536444089 /nfs/dbraw/zinc/44/40/89/536444089.db2.gz HXWOMVQAAFYMJN-ABKXIKBNSA-N 1 2 248.348 -0.798 20 0 BBADLO C[N@@H+]1CCO[C@H](CNC(=O)CC[S@](C)=O)C1 ZINC000179157912 536444086 /nfs/dbraw/zinc/44/40/86/536444086.db2.gz HXWOMVQAAFYMJN-ABKXIKBNSA-N 1 2 248.348 -0.798 20 0 BBADLO C[N@H+]1CCO[C@@H](CNC(=O)CC[S@](C)=O)C1 ZINC000179157928 346975482 /nfs/dbraw/zinc/97/54/82/346975482.db2.gz HXWOMVQAAFYMJN-FVMDXXJSSA-N 1 2 248.348 -0.798 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNC(=O)CC[S@](C)=O)C1 ZINC000179157928 346975480 /nfs/dbraw/zinc/97/54/80/346975480.db2.gz HXWOMVQAAFYMJN-FVMDXXJSSA-N 1 2 248.348 -0.798 20 0 BBADLO C[N@@H+](CC(=O)NC1CC1)[C@@H]1CCNC1=O ZINC000179177636 134317864 /nfs/dbraw/zinc/31/78/64/134317864.db2.gz QJAYQVRIPVICKL-MRVPVSSYSA-N 1 2 211.265 -0.915 20 0 BBADLO C[N@H+](CC(=O)NC1CC1)[C@@H]1CCNC1=O ZINC000179177636 134317863 /nfs/dbraw/zinc/31/78/63/134317863.db2.gz QJAYQVRIPVICKL-MRVPVSSYSA-N 1 2 211.265 -0.915 20 0 BBADLO C[N@@H+](CC(=O)NC1CC1)[C@H]1CCNC1=O ZINC000179177650 134318052 /nfs/dbraw/zinc/31/80/52/134318052.db2.gz QJAYQVRIPVICKL-QMMMGPOBSA-N 1 2 211.265 -0.915 20 0 BBADLO C[N@H+](CC(=O)NC1CC1)[C@H]1CCNC1=O ZINC000179177650 134318051 /nfs/dbraw/zinc/31/80/51/134318051.db2.gz QJAYQVRIPVICKL-QMMMGPOBSA-N 1 2 211.265 -0.915 20 0 BBADLO CCNC(=O)C[N@@H+](CC)[C@@H]1CCNC1=O ZINC000179192698 134318131 /nfs/dbraw/zinc/31/81/31/134318131.db2.gz WHHRCTFNCMNIEJ-MRVPVSSYSA-N 1 2 213.281 -0.667 20 0 BBADLO CCNC(=O)C[N@H+](CC)[C@@H]1CCNC1=O ZINC000179192698 134318130 /nfs/dbraw/zinc/31/81/30/134318130.db2.gz WHHRCTFNCMNIEJ-MRVPVSSYSA-N 1 2 213.281 -0.667 20 0 BBADLO CCNC(=O)C[N@@H+](CC)[C@H]1CCNC1=O ZINC000179192711 134317934 /nfs/dbraw/zinc/31/79/34/134317934.db2.gz WHHRCTFNCMNIEJ-QMMMGPOBSA-N 1 2 213.281 -0.667 20 0 BBADLO CCNC(=O)C[N@H+](CC)[C@H]1CCNC1=O ZINC000179192711 134317933 /nfs/dbraw/zinc/31/79/33/134317933.db2.gz WHHRCTFNCMNIEJ-QMMMGPOBSA-N 1 2 213.281 -0.667 20 0 BBADLO CC[N@@H+](CC(=O)NC(C)C)[C@@H]1CCNC1=O ZINC000179208881 134318575 /nfs/dbraw/zinc/31/85/75/134318575.db2.gz SMYPPWHZMFPZNN-SECBINFHSA-N 1 2 227.308 -0.279 20 0 BBADLO CC[N@H+](CC(=O)NC(C)C)[C@@H]1CCNC1=O ZINC000179208881 134318574 /nfs/dbraw/zinc/31/85/74/134318574.db2.gz SMYPPWHZMFPZNN-SECBINFHSA-N 1 2 227.308 -0.279 20 0 BBADLO CC[N@@H+](CC(=O)NC(C)C)[C@H]1CCNC1=O ZINC000179208893 134318443 /nfs/dbraw/zinc/31/84/43/134318443.db2.gz SMYPPWHZMFPZNN-VIFPVBQESA-N 1 2 227.308 -0.279 20 0 BBADLO CC[N@H+](CC(=O)NC(C)C)[C@H]1CCNC1=O ZINC000179208893 134318442 /nfs/dbraw/zinc/31/84/42/134318442.db2.gz SMYPPWHZMFPZNN-VIFPVBQESA-N 1 2 227.308 -0.279 20 0 BBADLO CCCn1c(C)nnc1C[NH+](CCO)CCO ZINC000179301285 386634495 /nfs/dbraw/zinc/63/44/95/386634495.db2.gz XJABRHXWYRDNOV-UHFFFAOYSA-N 1 2 242.323 -0.217 20 0 BBADLO Cn1cnc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000179455122 134320634 /nfs/dbraw/zinc/32/06/34/134320634.db2.gz SMKZNIUESAHFBR-SNVBAGLBSA-N 1 2 249.318 -0.850 20 0 BBADLO Cn1cnc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000179455130 134320681 /nfs/dbraw/zinc/32/06/81/134320681.db2.gz SMKZNIUESAHFBR-JTQLQIEISA-N 1 2 249.318 -0.850 20 0 BBADLO O=C1NCC[C@H]1SCC[NH+]1CCOCC1 ZINC000179477823 366263431 /nfs/dbraw/zinc/26/34/31/366263431.db2.gz LLEVNQDWMZFUBA-SECBINFHSA-N 1 2 230.333 -0.060 20 0 BBADLO O=C1NCC[C@@H]1SCC[NH+]1CCOCC1 ZINC000179477831 366263400 /nfs/dbraw/zinc/26/34/00/366263400.db2.gz LLEVNQDWMZFUBA-VIFPVBQESA-N 1 2 230.333 -0.060 20 0 BBADLO CCC[C@@H]1C(=O)NCC[N@@H+]1CCOCCO ZINC000179521552 384300773 /nfs/dbraw/zinc/30/07/73/384300773.db2.gz ZDUSCGROLCXQCH-SNVBAGLBSA-N 1 2 230.308 -0.404 20 0 BBADLO CCC[C@@H]1C(=O)NCC[N@H+]1CCOCCO ZINC000179521552 384300772 /nfs/dbraw/zinc/30/07/72/384300772.db2.gz ZDUSCGROLCXQCH-SNVBAGLBSA-N 1 2 230.308 -0.404 20 0 BBADLO CCC[C@H]1C(=O)NCC[N@@H+]1CCOCCO ZINC000179521559 384302161 /nfs/dbraw/zinc/30/21/61/384302161.db2.gz ZDUSCGROLCXQCH-JTQLQIEISA-N 1 2 230.308 -0.404 20 0 BBADLO CCC[C@H]1C(=O)NCC[N@H+]1CCOCCO ZINC000179521559 384302158 /nfs/dbraw/zinc/30/21/58/384302158.db2.gz ZDUSCGROLCXQCH-JTQLQIEISA-N 1 2 230.308 -0.404 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2CO)C1 ZINC000179623179 385378504 /nfs/dbraw/zinc/37/85/04/385378504.db2.gz QYRFUIBNFLWIBG-ZJUUUORDSA-N 1 2 228.292 -0.700 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2CO)C1 ZINC000179623179 385378502 /nfs/dbraw/zinc/37/85/02/385378502.db2.gz QYRFUIBNFLWIBG-ZJUUUORDSA-N 1 2 228.292 -0.700 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2CO)C1 ZINC000179623190 385378914 /nfs/dbraw/zinc/37/89/14/385378914.db2.gz QYRFUIBNFLWIBG-NXEZZACHSA-N 1 2 228.292 -0.700 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2CO)C1 ZINC000179623190 385378910 /nfs/dbraw/zinc/37/89/10/385378910.db2.gz QYRFUIBNFLWIBG-NXEZZACHSA-N 1 2 228.292 -0.700 20 0 BBADLO CN(CC(=O)N1CCOCC1)Cc1c[nH]c[nH+]1 ZINC000179675932 385481623 /nfs/dbraw/zinc/48/16/23/385481623.db2.gz NASXTYFCICDIKT-UHFFFAOYSA-N 1 2 238.291 -0.300 20 0 BBADLO CN(CC(=O)N1CCOCC1)Cc1c[nH+]c[nH]1 ZINC000179675932 385481622 /nfs/dbraw/zinc/48/16/22/385481622.db2.gz NASXTYFCICDIKT-UHFFFAOYSA-N 1 2 238.291 -0.300 20 0 BBADLO CCn1cc[nH+]c1CN1CCOC[C@@H]1C(N)=O ZINC000179733494 346995171 /nfs/dbraw/zinc/99/51/71/346995171.db2.gz AMQKBECSBRRGEJ-SECBINFHSA-N 1 2 238.291 -0.411 20 0 BBADLO CCn1cc[nH+]c1CN1CCOC[C@H]1C(N)=O ZINC000179733509 134320826 /nfs/dbraw/zinc/32/08/26/134320826.db2.gz AMQKBECSBRRGEJ-VIFPVBQESA-N 1 2 238.291 -0.411 20 0 BBADLO COCCCNC(=O)CN(C)Cc1c[nH]c[nH+]1 ZINC000179769583 346996036 /nfs/dbraw/zinc/99/60/36/346996036.db2.gz QECSKOJNXYESMF-UHFFFAOYSA-N 1 2 240.307 -0.006 20 0 BBADLO COCCCNC(=O)CN(C)Cc1c[nH+]c[nH]1 ZINC000179769583 346996033 /nfs/dbraw/zinc/99/60/33/346996033.db2.gz QECSKOJNXYESMF-UHFFFAOYSA-N 1 2 240.307 -0.006 20 0 BBADLO CS(=O)(=O)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000179784973 346997074 /nfs/dbraw/zinc/99/70/74/346997074.db2.gz COMPMSHYZYIBFL-UHFFFAOYSA-N 1 2 244.320 -0.513 20 0 BBADLO CS(=O)(=O)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000179784973 346997073 /nfs/dbraw/zinc/99/70/73/346997073.db2.gz COMPMSHYZYIBFL-UHFFFAOYSA-N 1 2 244.320 -0.513 20 0 BBADLO NC(=O)CN1CC[NH+](Cc2cncs2)CC1 ZINC000179832582 181232656 /nfs/dbraw/zinc/23/26/56/181232656.db2.gz YAGBAFAPYMCJRT-UHFFFAOYSA-N 1 2 240.332 -0.254 20 0 BBADLO Cn1nccc1CN1CC[NH+](CC(N)=O)CC1 ZINC000179836365 385494224 /nfs/dbraw/zinc/49/42/24/385494224.db2.gz ULRLYLWXYKOTTA-UHFFFAOYSA-N 1 2 237.307 -0.977 20 0 BBADLO Cc1ncccc1C[NH+]1CCN(CC(N)=O)CC1 ZINC000179837181 134324364 /nfs/dbraw/zinc/32/43/64/134324364.db2.gz ILQBBNVBHBUIFN-UHFFFAOYSA-N 1 2 248.330 -0.007 20 0 BBADLO Cn1cccc1C[NH+]1CCN(CC(N)=O)CC1 ZINC000179837663 385493686 /nfs/dbraw/zinc/49/36/86/385493686.db2.gz IBBBJCGOYXXLBS-UHFFFAOYSA-N 1 2 236.319 -0.372 20 0 BBADLO NC(=O)C[NH+]1CCN(Cc2cc[nH]n2)CC1 ZINC000179837946 181232481 /nfs/dbraw/zinc/23/24/81/181232481.db2.gz TVNSQKNXGQDVGQ-UHFFFAOYSA-N 1 2 223.280 -0.987 20 0 BBADLO Cc1n[nH]cc1C[NH+]1CCN(CC(N)=O)CC1 ZINC000179838000 385493841 /nfs/dbraw/zinc/49/38/41/385493841.db2.gz RLRORLQKQIXDAG-UHFFFAOYSA-N 1 2 237.307 -0.679 20 0 BBADLO COCC(=O)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000179994692 134325535 /nfs/dbraw/zinc/32/55/35/134325535.db2.gz HOFWLVDPFFQQEL-UHFFFAOYSA-N 1 2 238.291 -0.300 20 0 BBADLO COCC(=O)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000179994692 134325534 /nfs/dbraw/zinc/32/55/34/134325534.db2.gz HOFWLVDPFFQQEL-UHFFFAOYSA-N 1 2 238.291 -0.300 20 0 BBADLO CNC(=O)[C@@H]1C[N@@H+](CCC(C)=O)CCO1 ZINC000180249219 642781674 /nfs/dbraw/zinc/78/16/74/642781674.db2.gz OSSCWIJQOOLNQP-VIFPVBQESA-N 1 2 214.265 -0.588 20 0 BBADLO CNC(=O)[C@@H]1C[N@H+](CCC(C)=O)CCO1 ZINC000180249219 642781669 /nfs/dbraw/zinc/78/16/69/642781669.db2.gz OSSCWIJQOOLNQP-VIFPVBQESA-N 1 2 214.265 -0.588 20 0 BBADLO CNC(=O)[C@H]1C[N@@H+](CCC(C)=O)CCO1 ZINC000180249241 642781118 /nfs/dbraw/zinc/78/11/18/642781118.db2.gz OSSCWIJQOOLNQP-SECBINFHSA-N 1 2 214.265 -0.588 20 0 BBADLO CNC(=O)[C@H]1C[N@H+](CCC(C)=O)CCO1 ZINC000180249241 642781109 /nfs/dbraw/zinc/78/11/09/642781109.db2.gz OSSCWIJQOOLNQP-SECBINFHSA-N 1 2 214.265 -0.588 20 0 BBADLO C[C@@H](c1cnn(C)c1)[N@@H+](C)CC(=O)NC(N)=O ZINC000180367951 176037139 /nfs/dbraw/zinc/03/71/39/176037139.db2.gz AHCCKKLKPJCHLC-ZETCQYMHSA-N 1 2 239.279 -0.392 20 0 BBADLO C[C@@H](c1cnn(C)c1)[N@H+](C)CC(=O)NC(N)=O ZINC000180367951 176037136 /nfs/dbraw/zinc/03/71/36/176037136.db2.gz AHCCKKLKPJCHLC-ZETCQYMHSA-N 1 2 239.279 -0.392 20 0 BBADLO C[C@H](c1cnn(C)c1)[N@@H+](C)CC(=O)NC(N)=O ZINC000180367966 177052598 /nfs/dbraw/zinc/05/25/98/177052598.db2.gz AHCCKKLKPJCHLC-SSDOTTSWSA-N 1 2 239.279 -0.392 20 0 BBADLO C[C@H](c1cnn(C)c1)[N@H+](C)CC(=O)NC(N)=O ZINC000180367966 177052597 /nfs/dbraw/zinc/05/25/97/177052597.db2.gz AHCCKKLKPJCHLC-SSDOTTSWSA-N 1 2 239.279 -0.392 20 0 BBADLO COC(=O)C[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000180492713 366480416 /nfs/dbraw/zinc/48/04/16/366480416.db2.gz QHKNEPTUFNXZML-JTQLQIEISA-N 1 2 230.308 -0.188 20 0 BBADLO COC(=O)C[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000180492713 366480410 /nfs/dbraw/zinc/48/04/10/366480410.db2.gz QHKNEPTUFNXZML-JTQLQIEISA-N 1 2 230.308 -0.188 20 0 BBADLO COC(=O)CN(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000180492713 366480404 /nfs/dbraw/zinc/48/04/04/366480404.db2.gz QHKNEPTUFNXZML-JTQLQIEISA-N 1 2 230.308 -0.188 20 0 BBADLO COC(=O)C[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000180492729 366480024 /nfs/dbraw/zinc/48/00/24/366480024.db2.gz QHKNEPTUFNXZML-SNVBAGLBSA-N 1 2 230.308 -0.188 20 0 BBADLO COC(=O)C[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000180492729 366480015 /nfs/dbraw/zinc/48/00/15/366480015.db2.gz QHKNEPTUFNXZML-SNVBAGLBSA-N 1 2 230.308 -0.188 20 0 BBADLO COC(=O)CN(C)[C@H](C)C[NH+]1CCOCC1 ZINC000180492729 366480009 /nfs/dbraw/zinc/48/00/09/366480009.db2.gz QHKNEPTUFNXZML-SNVBAGLBSA-N 1 2 230.308 -0.188 20 0 BBADLO C[C@@H]1CN(Cc2c[nH]c[nH+]2)C[C@H](C(N)=O)O1 ZINC000180641436 134330580 /nfs/dbraw/zinc/33/05/80/134330580.db2.gz QAHYDOOYLNATRX-VXNVDRBHSA-N 1 2 224.264 -0.516 20 0 BBADLO C[C@@H]1CN(Cc2c[nH+]c[nH]2)C[C@H](C(N)=O)O1 ZINC000180641436 134330579 /nfs/dbraw/zinc/33/05/79/134330579.db2.gz QAHYDOOYLNATRX-VXNVDRBHSA-N 1 2 224.264 -0.516 20 0 BBADLO C[C@@H]1CN(Cc2c[nH]c[nH+]2)C[C@@H](C(N)=O)O1 ZINC000180641452 134330537 /nfs/dbraw/zinc/33/05/37/134330537.db2.gz QAHYDOOYLNATRX-APPZFPTMSA-N 1 2 224.264 -0.516 20 0 BBADLO C[C@@H]1CN(Cc2c[nH+]c[nH]2)C[C@@H](C(N)=O)O1 ZINC000180641452 134330536 /nfs/dbraw/zinc/33/05/36/134330536.db2.gz QAHYDOOYLNATRX-APPZFPTMSA-N 1 2 224.264 -0.516 20 0 BBADLO COC(C[N@@H+](CCCO)CC(=O)N(C)C)OC ZINC000180643106 642803483 /nfs/dbraw/zinc/80/34/83/642803483.db2.gz SIVQXIKXEGFNBJ-UHFFFAOYSA-N 1 2 248.323 -0.622 20 0 BBADLO COC(C[N@H+](CCCO)CC(=O)N(C)C)OC ZINC000180643106 642803479 /nfs/dbraw/zinc/80/34/79/642803479.db2.gz SIVQXIKXEGFNBJ-UHFFFAOYSA-N 1 2 248.323 -0.622 20 0 BBADLO C[C@@H](CN1CCOCC1)[N@H+]1CCN(C)C(=O)C1 ZINC000180670860 366530713 /nfs/dbraw/zinc/53/07/13/366530713.db2.gz PTBSJUSZFBIWRM-NSHDSACASA-N 1 2 241.335 -0.519 20 0 BBADLO C[C@@H](CN1CCOCC1)[N@@H+]1CCN(C)C(=O)C1 ZINC000180670860 366530709 /nfs/dbraw/zinc/53/07/09/366530709.db2.gz PTBSJUSZFBIWRM-NSHDSACASA-N 1 2 241.335 -0.519 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)N1CCN(C)C(=O)C1 ZINC000180670860 366530704 /nfs/dbraw/zinc/53/07/04/366530704.db2.gz PTBSJUSZFBIWRM-NSHDSACASA-N 1 2 241.335 -0.519 20 0 BBADLO C[C@H](CN1CCOCC1)[N@H+]1CCN(C)C(=O)C1 ZINC000180670874 366530535 /nfs/dbraw/zinc/53/05/35/366530535.db2.gz PTBSJUSZFBIWRM-LLVKDONJSA-N 1 2 241.335 -0.519 20 0 BBADLO C[C@H](CN1CCOCC1)[N@@H+]1CCN(C)C(=O)C1 ZINC000180670874 366530531 /nfs/dbraw/zinc/53/05/31/366530531.db2.gz PTBSJUSZFBIWRM-LLVKDONJSA-N 1 2 241.335 -0.519 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)N1CCN(C)C(=O)C1 ZINC000180670874 366530523 /nfs/dbraw/zinc/53/05/23/366530523.db2.gz PTBSJUSZFBIWRM-LLVKDONJSA-N 1 2 241.335 -0.519 20 0 BBADLO CC[C@H](CO)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000180705778 386293433 /nfs/dbraw/zinc/29/34/33/386293433.db2.gz GLOMXKUUFYZENP-NXEZZACHSA-N 1 2 245.323 -0.613 20 0 BBADLO CC[C@H](CO)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000180705778 386293428 /nfs/dbraw/zinc/29/34/28/386293428.db2.gz GLOMXKUUFYZENP-NXEZZACHSA-N 1 2 245.323 -0.613 20 0 BBADLO CC[C@H](CO)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000180705796 386294350 /nfs/dbraw/zinc/29/43/50/386294350.db2.gz GLOMXKUUFYZENP-ZJUUUORDSA-N 1 2 245.323 -0.613 20 0 BBADLO CC[C@H](CO)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000180705796 386294347 /nfs/dbraw/zinc/29/43/47/386294347.db2.gz GLOMXKUUFYZENP-ZJUUUORDSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1nnc[nH]1 ZINC000180707246 386294384 /nfs/dbraw/zinc/29/43/84/386294384.db2.gz UUJIDCLKAKJZMN-JTQLQIEISA-N 1 2 239.323 -0.043 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1nc[nH]n1 ZINC000180707246 386294382 /nfs/dbraw/zinc/29/43/82/386294382.db2.gz UUJIDCLKAKJZMN-JTQLQIEISA-N 1 2 239.323 -0.043 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)N(C)Cc1nnc[nH]1 ZINC000180707268 386293852 /nfs/dbraw/zinc/29/38/52/386293852.db2.gz UUJIDCLKAKJZMN-SNVBAGLBSA-N 1 2 239.323 -0.043 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)N(C)Cc1nc[nH]n1 ZINC000180707268 386293847 /nfs/dbraw/zinc/29/38/47/386293847.db2.gz UUJIDCLKAKJZMN-SNVBAGLBSA-N 1 2 239.323 -0.043 20 0 BBADLO C[N@H+](CC(=O)NC(N)=O)C[C@H](O)C(F)(F)F ZINC000181319637 386347858 /nfs/dbraw/zinc/34/78/58/386347858.db2.gz TWAAIPMZTSYMAR-BYPYZUCNSA-N 1 2 243.185 -0.964 20 0 BBADLO C[N@@H+](CC(=O)NC(N)=O)C[C@H](O)C(F)(F)F ZINC000181319637 386347855 /nfs/dbraw/zinc/34/78/55/386347855.db2.gz TWAAIPMZTSYMAR-BYPYZUCNSA-N 1 2 243.185 -0.964 20 0 BBADLO C[N@H+](CC(=O)NC(N)=O)C[C@@H](O)C(F)(F)F ZINC000181319658 386346547 /nfs/dbraw/zinc/34/65/47/386346547.db2.gz TWAAIPMZTSYMAR-SCSAIBSYSA-N 1 2 243.185 -0.964 20 0 BBADLO C[N@@H+](CC(=O)NC(N)=O)C[C@@H](O)C(F)(F)F ZINC000181319658 386346539 /nfs/dbraw/zinc/34/65/39/386346539.db2.gz TWAAIPMZTSYMAR-SCSAIBSYSA-N 1 2 243.185 -0.964 20 0 BBADLO COCCN1CCN(Cc2c[nH]c[nH+]2)CC1=O ZINC000181575268 174310098 /nfs/dbraw/zinc/31/00/98/174310098.db2.gz VHGURKPFWNGENC-UHFFFAOYSA-N 1 2 238.291 -0.300 20 0 BBADLO COCCN1CCN(Cc2c[nH+]c[nH]2)CC1=O ZINC000181575268 174310096 /nfs/dbraw/zinc/31/00/96/174310096.db2.gz VHGURKPFWNGENC-UHFFFAOYSA-N 1 2 238.291 -0.300 20 0 BBADLO COCC[N@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000181576558 366827818 /nfs/dbraw/zinc/82/78/18/366827818.db2.gz GERFMFMMBLEUGN-VIFPVBQESA-N 1 2 236.337 -0.402 20 0 BBADLO COCC[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000181576558 366827817 /nfs/dbraw/zinc/82/78/17/366827817.db2.gz GERFMFMMBLEUGN-VIFPVBQESA-N 1 2 236.337 -0.402 20 0 BBADLO C[C@H]1C[N@@H+](CCCO)CCN1S(C)(=O)=O ZINC000181577698 385410523 /nfs/dbraw/zinc/41/05/23/385410523.db2.gz CKGGACCHTMOGBJ-VIFPVBQESA-N 1 2 236.337 -0.666 20 0 BBADLO C[C@H]1C[N@H+](CCCO)CCN1S(C)(=O)=O ZINC000181577698 385410516 /nfs/dbraw/zinc/41/05/16/385410516.db2.gz CKGGACCHTMOGBJ-VIFPVBQESA-N 1 2 236.337 -0.666 20 0 BBADLO CC(=O)CC[N@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000181580179 642884858 /nfs/dbraw/zinc/88/48/58/642884858.db2.gz NUXBCTWWMOYEJT-VIFPVBQESA-N 1 2 248.348 -0.069 20 0 BBADLO CC(=O)CC[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000181580179 642884857 /nfs/dbraw/zinc/88/48/57/642884857.db2.gz NUXBCTWWMOYEJT-VIFPVBQESA-N 1 2 248.348 -0.069 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)Cn1ncn(C)c1=O ZINC000181648142 134338241 /nfs/dbraw/zinc/33/82/41/134338241.db2.gz APPWHZLONSIUJC-UHFFFAOYSA-N 1 2 247.258 -0.076 20 0 BBADLO NC(=O)[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000181666475 259364798 /nfs/dbraw/zinc/36/47/98/259364798.db2.gz KSCPQZCAJOIKJK-WDSKDSINSA-N 1 2 242.197 -0.904 20 0 BBADLO NC(=O)[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000181666475 259364796 /nfs/dbraw/zinc/36/47/96/259364796.db2.gz KSCPQZCAJOIKJK-WDSKDSINSA-N 1 2 242.197 -0.904 20 0 BBADLO NC(=O)[C@H]1C[N@@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000181666499 259364781 /nfs/dbraw/zinc/36/47/81/259364781.db2.gz KSCPQZCAJOIKJK-RITPCOANSA-N 1 2 242.197 -0.904 20 0 BBADLO NC(=O)[C@H]1C[N@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000181666499 259364779 /nfs/dbraw/zinc/36/47/79/259364779.db2.gz KSCPQZCAJOIKJK-RITPCOANSA-N 1 2 242.197 -0.904 20 0 BBADLO Cc1oncc1C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000181666527 366837992 /nfs/dbraw/zinc/83/79/92/366837992.db2.gz LDFYFOLREMMUQG-VIFPVBQESA-N 1 2 225.248 -0.331 20 0 BBADLO Cc1oncc1C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000181666527 366837987 /nfs/dbraw/zinc/83/79/87/366837987.db2.gz LDFYFOLREMMUQG-VIFPVBQESA-N 1 2 225.248 -0.331 20 0 BBADLO Cc1oncc1C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000181666545 366838409 /nfs/dbraw/zinc/83/84/09/366838409.db2.gz LDFYFOLREMMUQG-SECBINFHSA-N 1 2 225.248 -0.331 20 0 BBADLO Cc1oncc1C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000181666545 366838402 /nfs/dbraw/zinc/83/84/02/366838402.db2.gz LDFYFOLREMMUQG-SECBINFHSA-N 1 2 225.248 -0.331 20 0 BBADLO CCc1nnc(C[N@@H+](C)CCC(=O)NC)[nH]1 ZINC000181679104 366838242 /nfs/dbraw/zinc/83/82/42/366838242.db2.gz KJCMYQKYKFIDNE-UHFFFAOYSA-N 1 2 225.296 -0.065 20 0 BBADLO CCc1nnc(C[N@H+](C)CCC(=O)NC)[nH]1 ZINC000181679104 366838234 /nfs/dbraw/zinc/83/82/34/366838234.db2.gz KJCMYQKYKFIDNE-UHFFFAOYSA-N 1 2 225.296 -0.065 20 0 BBADLO NC(=O)[C@H]1CCC[N@H+]1C[C@H](O)C(F)(F)F ZINC000181686203 259364719 /nfs/dbraw/zinc/36/47/19/259364719.db2.gz NQAWGSRISPWUMH-RITPCOANSA-N 1 2 226.198 -0.141 20 0 BBADLO NC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000181686203 259364718 /nfs/dbraw/zinc/36/47/18/259364718.db2.gz NQAWGSRISPWUMH-RITPCOANSA-N 1 2 226.198 -0.141 20 0 BBADLO NC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)C(F)(F)F ZINC000181686226 259364769 /nfs/dbraw/zinc/36/47/69/259364769.db2.gz NQAWGSRISPWUMH-WDSKDSINSA-N 1 2 226.198 -0.141 20 0 BBADLO NC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000181686226 259364768 /nfs/dbraw/zinc/36/47/68/259364768.db2.gz NQAWGSRISPWUMH-WDSKDSINSA-N 1 2 226.198 -0.141 20 0 BBADLO NC(=O)C1([NH2+]CC(=O)Nc2nccs2)CC1 ZINC000181724156 385411687 /nfs/dbraw/zinc/41/16/87/385411687.db2.gz QFUGOSOTWVRUKT-UHFFFAOYSA-N 1 2 240.288 -0.311 20 0 BBADLO CCc1cc(=O)[nH]c(C[NH2+]C2(C(N)=O)CC2)n1 ZINC000181726504 134338772 /nfs/dbraw/zinc/33/87/72/134338772.db2.gz MQMCEBNDPUYROG-UHFFFAOYSA-N 1 2 236.275 -0.148 20 0 BBADLO Cc1oncc1C[NH+]1CCN(CC(N)=O)CC1 ZINC000181771155 366847173 /nfs/dbraw/zinc/84/71/73/366847173.db2.gz ZLZIYGHHYHZOBY-UHFFFAOYSA-N 1 2 238.291 -0.414 20 0 BBADLO Cc1cc(NC(=O)Cn2ncn(C)c2=O)cc[nH+]1 ZINC000181820530 134339987 /nfs/dbraw/zinc/33/99/87/134339987.db2.gz QLSAZFWDRGAFLZ-UHFFFAOYSA-N 1 2 247.258 -0.076 20 0 BBADLO NC(=O)[C@@H]1CCC[N@H+]1CC1OCCO1 ZINC000181994346 642937719 /nfs/dbraw/zinc/93/77/19/642937719.db2.gz FOPZGEZDASKKIT-ZETCQYMHSA-N 1 2 200.238 -0.691 20 0 BBADLO NC(=O)[C@@H]1CCC[N@@H+]1CC1OCCO1 ZINC000181994346 642937704 /nfs/dbraw/zinc/93/77/04/642937704.db2.gz FOPZGEZDASKKIT-ZETCQYMHSA-N 1 2 200.238 -0.691 20 0 BBADLO CO[C@@H](C)C[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000182000116 259375826 /nfs/dbraw/zinc/37/58/26/259375826.db2.gz HDPNWJJRSQKMSX-VIFPVBQESA-N 1 2 236.337 -0.402 20 0 BBADLO CO[C@H](C)C[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000182000133 385427532 /nfs/dbraw/zinc/42/75/32/385427532.db2.gz HDPNWJJRSQKMSX-SECBINFHSA-N 1 2 236.337 -0.402 20 0 BBADLO NC(=O)[C@@H]1CCCC[N@H+]1CC1OCCO1 ZINC000182004884 642943179 /nfs/dbraw/zinc/94/31/79/642943179.db2.gz KCSFOLAKZIJMFQ-QMMMGPOBSA-N 1 2 214.265 -0.301 20 0 BBADLO NC(=O)[C@@H]1CCCC[N@@H+]1CC1OCCO1 ZINC000182004884 642943171 /nfs/dbraw/zinc/94/31/71/642943171.db2.gz KCSFOLAKZIJMFQ-QMMMGPOBSA-N 1 2 214.265 -0.301 20 0 BBADLO NC(=O)[C@H]1CCCC[N@H+]1CC1OCCO1 ZINC000182004913 642943765 /nfs/dbraw/zinc/94/37/65/642943765.db2.gz KCSFOLAKZIJMFQ-MRVPVSSYSA-N 1 2 214.265 -0.301 20 0 BBADLO NC(=O)[C@H]1CCCC[N@@H+]1CC1OCCO1 ZINC000182004913 642943761 /nfs/dbraw/zinc/94/37/61/642943761.db2.gz KCSFOLAKZIJMFQ-MRVPVSSYSA-N 1 2 214.265 -0.301 20 0 BBADLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1C[C@H](C)OC ZINC000182007549 385628335 /nfs/dbraw/zinc/62/83/35/385628335.db2.gz VSURKGJMGQNDGN-IUCAKERBSA-N 1 2 244.291 -0.615 20 0 BBADLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1C[C@H](C)OC ZINC000182007549 385628330 /nfs/dbraw/zinc/62/83/30/385628330.db2.gz VSURKGJMGQNDGN-IUCAKERBSA-N 1 2 244.291 -0.615 20 0 BBADLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1C[C@@H](C)OC ZINC000182007571 398241039 /nfs/dbraw/zinc/24/10/39/398241039.db2.gz VSURKGJMGQNDGN-BDAKNGLRSA-N 1 2 244.291 -0.615 20 0 BBADLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1C[C@@H](C)OC ZINC000182007571 398241035 /nfs/dbraw/zinc/24/10/35/398241035.db2.gz VSURKGJMGQNDGN-BDAKNGLRSA-N 1 2 244.291 -0.615 20 0 BBADLO CCC[N@H+](CC(=O)NC)CC1OCCO1 ZINC000182070511 642950339 /nfs/dbraw/zinc/95/03/39/642950339.db2.gz LKDUUSQYPKQDKS-UHFFFAOYSA-N 1 2 216.281 -0.183 20 0 BBADLO CCC[N@@H+](CC(=O)NC)CC1OCCO1 ZINC000182070511 642950333 /nfs/dbraw/zinc/95/03/33/642950333.db2.gz LKDUUSQYPKQDKS-UHFFFAOYSA-N 1 2 216.281 -0.183 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)N2CCCO2)C1 ZINC000182081862 366866175 /nfs/dbraw/zinc/86/61/75/366866175.db2.gz JXNBZPSSBLWOCX-QMMMGPOBSA-N 1 2 200.238 -0.519 20 0 BBADLO 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CCc1nnc(NC(=O)[C@H]2C[N@@H+](C)CCO2)[nH]1 ZINC000182281178 398027722 /nfs/dbraw/zinc/02/77/22/398027722.db2.gz FFOVTPOYDUTKCZ-SSDOTTSWSA-N 1 2 239.279 -0.364 20 0 BBADLO CCc1nnc(NC(=O)[C@H]2C[N@H+](C)CCO2)[nH]1 ZINC000182281178 398027720 /nfs/dbraw/zinc/02/77/20/398027720.db2.gz FFOVTPOYDUTKCZ-SSDOTTSWSA-N 1 2 239.279 -0.364 20 0 BBADLO CCOCC[N@@H+](C)CN1CC(=O)N(C)C1=O ZINC000182295702 642997645 /nfs/dbraw/zinc/99/76/45/642997645.db2.gz DIDWITWARSJAJQ-UHFFFAOYSA-N 1 2 229.280 -0.194 20 0 BBADLO CCOCC[N@H+](C)CN1CC(=O)N(C)C1=O ZINC000182295702 642997634 /nfs/dbraw/zinc/99/76/34/642997634.db2.gz DIDWITWARSJAJQ-UHFFFAOYSA-N 1 2 229.280 -0.194 20 0 BBADLO COCCN1CC[N@@H+](C[C@H](C)OC)CC1=O ZINC000182396575 134345015 /nfs/dbraw/zinc/34/50/15/134345015.db2.gz LWCRZGMRYJUMEA-JTQLQIEISA-N 1 2 230.308 -0.188 20 0 BBADLO COCCN1CC[N@H+](C[C@H](C)OC)CC1=O ZINC000182396575 134345014 /nfs/dbraw/zinc/34/50/14/134345014.db2.gz LWCRZGMRYJUMEA-JTQLQIEISA-N 1 2 230.308 -0.188 20 0 BBADLO 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CC[C@@](C)(CCO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000182790007 171165292 /nfs/dbraw/zinc/16/52/92/171165292.db2.gz GRAWINYRYKRWIP-JQWIXIFHSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@](C)(CCO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000182790028 385707231 /nfs/dbraw/zinc/70/72/31/385707231.db2.gz GRAWINYRYKRWIP-CMPLNLGQSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@](C)(CCO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000182790028 385707224 /nfs/dbraw/zinc/70/72/24/385707224.db2.gz GRAWINYRYKRWIP-CMPLNLGQSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@@](C)(CCO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000182790037 171165505 /nfs/dbraw/zinc/16/55/05/171165505.db2.gz GRAWINYRYKRWIP-PWSUYJOCSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@@](C)(CCO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000182790037 171165501 /nfs/dbraw/zinc/16/55/01/171165501.db2.gz GRAWINYRYKRWIP-PWSUYJOCSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@](C)(CCO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000182790058 386429196 /nfs/dbraw/zinc/42/91/96/386429196.db2.gz GRAWINYRYKRWIP-ZYHUDNBSSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@](C)(CCO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000182790058 386429192 /nfs/dbraw/zinc/42/91/92/386429192.db2.gz GRAWINYRYKRWIP-ZYHUDNBSSA-N 1 2 244.335 -0.016 20 0 BBADLO CCCCC[N@@H+](CC(N)=O)CC(=O)NC ZINC000183025684 535019042 /nfs/dbraw/zinc/01/90/42/535019042.db2.gz ROZDZNVRAXULDZ-UHFFFAOYSA-N 1 2 215.297 -0.290 20 0 BBADLO CCCCC[N@H+](CC(N)=O)CC(=O)NC ZINC000183025684 535019033 /nfs/dbraw/zinc/01/90/33/535019033.db2.gz ROZDZNVRAXULDZ-UHFFFAOYSA-N 1 2 215.297 -0.290 20 0 BBADLO CCCCC[N@@H+](CC(N)=O)CC(=O)NC(N)=O ZINC000183040522 168687442 /nfs/dbraw/zinc/68/74/42/168687442.db2.gz QGFFMAAZLLAINW-UHFFFAOYSA-N 1 2 244.295 -0.841 20 0 BBADLO CCCCC[N@H+](CC(N)=O)CC(=O)NC(N)=O ZINC000183040522 168687439 /nfs/dbraw/zinc/68/74/39/168687439.db2.gz QGFFMAAZLLAINW-UHFFFAOYSA-N 1 2 244.295 -0.841 20 0 BBADLO O=C(NCCn1cc[nH+]c1)C1CC(=O)C1 ZINC000183503605 385765627 /nfs/dbraw/zinc/76/56/27/385765627.db2.gz STSFGCUQQPNBJM-UHFFFAOYSA-N 1 2 207.233 -0.022 20 0 BBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)C1CC(=O)C1 ZINC000183580902 134354245 /nfs/dbraw/zinc/35/42/45/134354245.db2.gz MALJTNKVLBWTNG-JTQLQIEISA-N 1 2 237.303 -0.919 20 0 BBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C1CC(=O)C1 ZINC000183580918 134354416 /nfs/dbraw/zinc/35/44/16/134354416.db2.gz MALJTNKVLBWTNG-SNVBAGLBSA-N 1 2 237.303 -0.919 20 0 BBADLO O=C(NC(CO)CO)c1ccc2[nH+]ccn2c1 ZINC000183627287 182087917 /nfs/dbraw/zinc/08/79/17/182087917.db2.gz XJLUUZGLPQHAKC-UHFFFAOYSA-N 1 2 235.243 -0.583 20 0 BBADLO CC[N@H+](CC(=O)NC)C[C@H](O)C(F)(F)F ZINC000183928005 398251941 /nfs/dbraw/zinc/25/19/41/398251941.db2.gz JSOVJDRUKVRPEY-LURJTMIESA-N 1 2 228.214 -0.023 20 0 BBADLO CC[N@@H+](CC(=O)NC)C[C@H](O)C(F)(F)F ZINC000183928005 398251937 /nfs/dbraw/zinc/25/19/37/398251937.db2.gz JSOVJDRUKVRPEY-LURJTMIESA-N 1 2 228.214 -0.023 20 0 BBADLO CC[N@H+](CC(=O)NC)C[C@@H](O)C(F)(F)F ZINC000183928021 385803747 /nfs/dbraw/zinc/80/37/47/385803747.db2.gz JSOVJDRUKVRPEY-ZCFIWIBFSA-N 1 2 228.214 -0.023 20 0 BBADLO CC[N@@H+](CC(=O)NC)C[C@@H](O)C(F)(F)F ZINC000183928021 385803743 /nfs/dbraw/zinc/80/37/43/385803743.db2.gz JSOVJDRUKVRPEY-ZCFIWIBFSA-N 1 2 228.214 -0.023 20 0 BBADLO CNC(=O)[C@@H]1C[N@@H+](CCOCCOC)CCO1 ZINC000184040769 134356277 /nfs/dbraw/zinc/35/62/77/134356277.db2.gz WOLIWHBPVSRKQO-JTQLQIEISA-N 1 2 246.307 -0.904 20 0 BBADLO CNC(=O)[C@@H]1C[N@H+](CCOCCOC)CCO1 ZINC000184040769 134356276 /nfs/dbraw/zinc/35/62/76/134356276.db2.gz WOLIWHBPVSRKQO-JTQLQIEISA-N 1 2 246.307 -0.904 20 0 BBADLO CNC(=O)[C@H]1C[N@@H+](CCOCCOC)CCO1 ZINC000184040786 134356319 /nfs/dbraw/zinc/35/63/19/134356319.db2.gz WOLIWHBPVSRKQO-SNVBAGLBSA-N 1 2 246.307 -0.904 20 0 BBADLO CNC(=O)[C@H]1C[N@H+](CCOCCOC)CCO1 ZINC000184040786 134356318 /nfs/dbraw/zinc/35/63/18/134356318.db2.gz WOLIWHBPVSRKQO-SNVBAGLBSA-N 1 2 246.307 -0.904 20 0 BBADLO CNC(=O)C1CN(c2cc[nH+]c(C)n2)C1 ZINC000184111067 173227966 /nfs/dbraw/zinc/22/79/66/173227966.db2.gz BMPXHPYVUMHVEU-UHFFFAOYSA-N 1 2 206.249 -0.033 20 0 BBADLO CNC(=O)C1CN(c2[nH+]cnc3c2cnn3C)C1 ZINC000184112051 173229471 /nfs/dbraw/zinc/22/94/71/173229471.db2.gz ZJPPATCRAPLJHZ-UHFFFAOYSA-N 1 2 246.274 -0.455 20 0 BBADLO COC[C@H]([NH2+]CC(=O)NC(N)=O)c1ccco1 ZINC000184570356 518092043 /nfs/dbraw/zinc/09/20/43/518092043.db2.gz MTPQCNBFJOJWPZ-ZETCQYMHSA-N 1 2 241.247 -0.248 20 0 BBADLO COC[C@@H]([NH2+]CC(=O)NC(N)=O)c1ccco1 ZINC000184570370 384620407 /nfs/dbraw/zinc/62/04/07/384620407.db2.gz MTPQCNBFJOJWPZ-SSDOTTSWSA-N 1 2 241.247 -0.248 20 0 BBADLO C[C@@H]1CCCN1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000184838852 134369209 /nfs/dbraw/zinc/36/92/09/134369209.db2.gz ARMQSOXTQBWBES-SNVBAGLBSA-N 1 2 247.364 -0.037 20 0 BBADLO C[C@H]1CCCN1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000184838871 134369345 /nfs/dbraw/zinc/36/93/45/134369345.db2.gz ARMQSOXTQBWBES-JTQLQIEISA-N 1 2 247.364 -0.037 20 0 BBADLO O=C(NCCn1cc[nH+]c1)NCC(F)(F)CO ZINC000184855139 182215550 /nfs/dbraw/zinc/21/55/50/182215550.db2.gz JLIQFRZRVUPCSC-UHFFFAOYSA-N 1 2 248.233 -0.190 20 0 BBADLO CCOC(C[N@H+]1CCO[C@H](C(N)=O)C1)OCC ZINC000184957859 535737013 /nfs/dbraw/zinc/73/70/13/535737013.db2.gz ATYQTNYMNHKOPJ-VIFPVBQESA-N 1 2 246.307 -0.428 20 0 BBADLO CCOC(C[N@@H+]1CCO[C@H](C(N)=O)C1)OCC ZINC000184957859 535737006 /nfs/dbraw/zinc/73/70/06/535737006.db2.gz ATYQTNYMNHKOPJ-VIFPVBQESA-N 1 2 246.307 -0.428 20 0 BBADLO CCOC(C[N@H+]1CCO[C@@H](C(N)=O)C1)OCC ZINC000184957879 535736526 /nfs/dbraw/zinc/73/65/26/535736526.db2.gz ATYQTNYMNHKOPJ-SECBINFHSA-N 1 2 246.307 -0.428 20 0 BBADLO CCOC(C[N@@H+]1CCO[C@@H](C(N)=O)C1)OCC ZINC000184957879 535736520 /nfs/dbraw/zinc/73/65/20/535736520.db2.gz ATYQTNYMNHKOPJ-SECBINFHSA-N 1 2 246.307 -0.428 20 0 BBADLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC(=O)N(C)C ZINC000185099013 367119912 /nfs/dbraw/zinc/11/99/12/367119912.db2.gz LYOWURRLEJBKHO-RTHLEPHNSA-N 1 2 220.338 -0.227 20 0 BBADLO C[C@@H](C[S@](C)=O)[N@H+](C)CC(=O)N(C)C ZINC000185099013 367119909 /nfs/dbraw/zinc/11/99/09/367119909.db2.gz LYOWURRLEJBKHO-RTHLEPHNSA-N 1 2 220.338 -0.227 20 0 BBADLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)N(C)C ZINC000185099026 367119450 /nfs/dbraw/zinc/11/94/50/367119450.db2.gz LYOWURRLEJBKHO-CLAHSXSESA-N 1 2 220.338 -0.227 20 0 BBADLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)N(C)C ZINC000185099026 367119445 /nfs/dbraw/zinc/11/94/45/367119445.db2.gz LYOWURRLEJBKHO-CLAHSXSESA-N 1 2 220.338 -0.227 20 0 BBADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC(=O)N(C)C ZINC000185099044 347190843 /nfs/dbraw/zinc/19/08/43/347190843.db2.gz LYOWURRLEJBKHO-RMLUDKJBSA-N 1 2 220.338 -0.227 20 0 BBADLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC(=O)N(C)C ZINC000185099044 347190840 /nfs/dbraw/zinc/19/08/40/347190840.db2.gz LYOWURRLEJBKHO-RMLUDKJBSA-N 1 2 220.338 -0.227 20 0 BBADLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)N(C)C ZINC000185099063 347190659 /nfs/dbraw/zinc/19/06/59/347190659.db2.gz LYOWURRLEJBKHO-XLKFXECMSA-N 1 2 220.338 -0.227 20 0 BBADLO C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)N(C)C ZINC000185099063 347190657 /nfs/dbraw/zinc/19/06/57/347190657.db2.gz LYOWURRLEJBKHO-XLKFXECMSA-N 1 2 220.338 -0.227 20 0 BBADLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC(=O)NC1CC1 ZINC000185129923 367119945 /nfs/dbraw/zinc/11/99/45/367119945.db2.gz MQNDGJCBENZMMU-AYVTZFPOSA-N 1 2 232.349 -0.036 20 0 BBADLO C[C@@H](C[S@](C)=O)[N@H+](C)CC(=O)NC1CC1 ZINC000185129923 367119944 /nfs/dbraw/zinc/11/99/44/367119944.db2.gz MQNDGJCBENZMMU-AYVTZFPOSA-N 1 2 232.349 -0.036 20 0 BBADLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)NC1CC1 ZINC000185129942 367119125 /nfs/dbraw/zinc/11/91/25/367119125.db2.gz MQNDGJCBENZMMU-GLEZIHRCSA-N 1 2 232.349 -0.036 20 0 BBADLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)NC1CC1 ZINC000185129942 367119118 /nfs/dbraw/zinc/11/91/18/367119118.db2.gz MQNDGJCBENZMMU-GLEZIHRCSA-N 1 2 232.349 -0.036 20 0 BBADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC(=O)NC1CC1 ZINC000185129958 367120024 /nfs/dbraw/zinc/12/00/24/367120024.db2.gz MQNDGJCBENZMMU-VXJOIVPMSA-N 1 2 232.349 -0.036 20 0 BBADLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC(=O)NC1CC1 ZINC000185129958 367120022 /nfs/dbraw/zinc/12/00/22/367120022.db2.gz MQNDGJCBENZMMU-VXJOIVPMSA-N 1 2 232.349 -0.036 20 0 BBADLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)NC1CC1 ZINC000185129975 367119749 /nfs/dbraw/zinc/11/97/49/367119749.db2.gz MQNDGJCBENZMMU-ANRSDYALSA-N 1 2 232.349 -0.036 20 0 BBADLO C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)NC1CC1 ZINC000185129975 367119745 /nfs/dbraw/zinc/11/97/45/367119745.db2.gz MQNDGJCBENZMMU-ANRSDYALSA-N 1 2 232.349 -0.036 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000185132436 173286100 /nfs/dbraw/zinc/28/61/00/173286100.db2.gz HZRLNXXLXWGSTH-GYKQLYQFSA-N 1 2 249.336 -0.859 20 0 BBADLO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000185132436 173286099 /nfs/dbraw/zinc/28/60/99/173286099.db2.gz HZRLNXXLXWGSTH-GYKQLYQFSA-N 1 2 249.336 -0.859 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000185132449 173286669 /nfs/dbraw/zinc/28/66/69/173286669.db2.gz HZRLNXXLXWGSTH-QZTNRIJFSA-N 1 2 249.336 -0.859 20 0 BBADLO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000185132449 173286668 /nfs/dbraw/zinc/28/66/68/173286668.db2.gz HZRLNXXLXWGSTH-QZTNRIJFSA-N 1 2 249.336 -0.859 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000185132465 173286539 /nfs/dbraw/zinc/28/65/39/173286539.db2.gz HZRLNXXLXWGSTH-HYORBCNSSA-N 1 2 249.336 -0.859 20 0 BBADLO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000185132465 173286538 /nfs/dbraw/zinc/28/65/38/173286538.db2.gz HZRLNXXLXWGSTH-HYORBCNSSA-N 1 2 249.336 -0.859 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000185132480 173286260 /nfs/dbraw/zinc/28/62/60/173286260.db2.gz HZRLNXXLXWGSTH-VGDKGRGNSA-N 1 2 249.336 -0.859 20 0 BBADLO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000185132480 173286259 /nfs/dbraw/zinc/28/62/59/173286259.db2.gz HZRLNXXLXWGSTH-VGDKGRGNSA-N 1 2 249.336 -0.859 20 0 BBADLO O=C1C[N@@H+](CCO[C@@H]2CCCCO2)CCN1 ZINC000185150931 386671038 /nfs/dbraw/zinc/67/10/38/386671038.db2.gz MLZMYJIVOIBWFJ-LLVKDONJSA-N 1 2 228.292 -0.039 20 0 BBADLO O=C1C[N@H+](CCO[C@@H]2CCCCO2)CCN1 ZINC000185150931 386671029 /nfs/dbraw/zinc/67/10/29/386671029.db2.gz MLZMYJIVOIBWFJ-LLVKDONJSA-N 1 2 228.292 -0.039 20 0 BBADLO O=C1C[N@@H+](CCO[C@H]2CCCCO2)CCN1 ZINC000185150947 386671092 /nfs/dbraw/zinc/67/10/92/386671092.db2.gz MLZMYJIVOIBWFJ-NSHDSACASA-N 1 2 228.292 -0.039 20 0 BBADLO O=C1C[N@H+](CCO[C@H]2CCCCO2)CCN1 ZINC000185150947 386671088 /nfs/dbraw/zinc/67/10/88/386671088.db2.gz MLZMYJIVOIBWFJ-NSHDSACASA-N 1 2 228.292 -0.039 20 0 BBADLO C[C@@H](C(N)=O)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185158759 398057215 /nfs/dbraw/zinc/05/72/15/398057215.db2.gz CBOXGCHYLJILSH-WCBMZHEXSA-N 1 2 214.265 -0.649 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185158759 398057210 /nfs/dbraw/zinc/05/72/10/398057210.db2.gz CBOXGCHYLJILSH-WCBMZHEXSA-N 1 2 214.265 -0.649 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185158777 398057789 /nfs/dbraw/zinc/05/77/89/398057789.db2.gz CBOXGCHYLJILSH-PSASIEDQSA-N 1 2 214.265 -0.649 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185158777 398057784 /nfs/dbraw/zinc/05/77/84/398057784.db2.gz CBOXGCHYLJILSH-PSASIEDQSA-N 1 2 214.265 -0.649 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185159065 134372083 /nfs/dbraw/zinc/37/20/83/134372083.db2.gz ZYNPQWYXCCGCQX-CMPLNLGQSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185159065 134372082 /nfs/dbraw/zinc/37/20/82/134372082.db2.gz ZYNPQWYXCCGCQX-CMPLNLGQSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185159081 134372214 /nfs/dbraw/zinc/37/22/14/134372214.db2.gz ZYNPQWYXCCGCQX-ZYHUDNBSSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185159081 134372213 /nfs/dbraw/zinc/37/22/13/134372213.db2.gz ZYNPQWYXCCGCQX-ZYHUDNBSSA-N 1 2 242.319 -0.046 20 0 BBADLO O=C(C[N@H+]1CCO[C@]2(CCOC2)C1)NC1CC1 ZINC000185163748 134372319 /nfs/dbraw/zinc/37/23/19/134372319.db2.gz HNARIXKODRZRDI-GFCCVEGCSA-N 1 2 240.303 -0.244 20 0 BBADLO O=C(C[N@@H+]1CCO[C@]2(CCOC2)C1)NC1CC1 ZINC000185163748 134372318 /nfs/dbraw/zinc/37/23/18/134372318.db2.gz HNARIXKODRZRDI-GFCCVEGCSA-N 1 2 240.303 -0.244 20 0 BBADLO O=C(C[N@H+]1CCO[C@@]2(CCOC2)C1)NC1CC1 ZINC000185163764 134372356 /nfs/dbraw/zinc/37/23/56/134372356.db2.gz HNARIXKODRZRDI-LBPRGKRZSA-N 1 2 240.303 -0.244 20 0 BBADLO O=C(C[N@@H+]1CCO[C@@]2(CCOC2)C1)NC1CC1 ZINC000185163764 134372355 /nfs/dbraw/zinc/37/23/55/134372355.db2.gz HNARIXKODRZRDI-LBPRGKRZSA-N 1 2 240.303 -0.244 20 0 BBADLO CCc1nc(CN2CC[NH+](CCO)CC2)n[nH]1 ZINC000185167620 367123842 /nfs/dbraw/zinc/12/38/42/367123842.db2.gz HCDWSFRGUNKVPN-UHFFFAOYSA-N 1 2 239.323 -0.523 20 0 BBADLO CN1CC[C@H]([N@H+]2CCO[C@]3(CCOC3)C2)C1=O ZINC000185169458 134372231 /nfs/dbraw/zinc/37/22/31/134372231.db2.gz SFXDFJWRZFESOF-CMPLNLGQSA-N 1 2 240.303 -0.292 20 0 BBADLO CN1CC[C@H]([N@@H+]2CCO[C@]3(CCOC3)C2)C1=O ZINC000185169458 134372230 /nfs/dbraw/zinc/37/22/30/134372230.db2.gz SFXDFJWRZFESOF-CMPLNLGQSA-N 1 2 240.303 -0.292 20 0 BBADLO CN1CC[C@@H]([N@H+]2CCO[C@]3(CCOC3)C2)C1=O ZINC000185169473 536452630 /nfs/dbraw/zinc/45/26/30/536452630.db2.gz SFXDFJWRZFESOF-ZYHUDNBSSA-N 1 2 240.303 -0.292 20 0 BBADLO CN1CC[C@@H]([N@@H+]2CCO[C@]3(CCOC3)C2)C1=O ZINC000185169473 536452628 /nfs/dbraw/zinc/45/26/28/536452628.db2.gz SFXDFJWRZFESOF-ZYHUDNBSSA-N 1 2 240.303 -0.292 20 0 BBADLO CNC(=O)C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185174057 398057574 /nfs/dbraw/zinc/05/75/74/398057574.db2.gz RMEAYPVZJSEPMG-SNVBAGLBSA-N 1 2 214.265 -0.776 20 0 BBADLO CNC(=O)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185174057 398057571 /nfs/dbraw/zinc/05/75/71/398057571.db2.gz RMEAYPVZJSEPMG-SNVBAGLBSA-N 1 2 214.265 -0.776 20 0 BBADLO CNC(=O)C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185174074 398057896 /nfs/dbraw/zinc/05/78/96/398057896.db2.gz RMEAYPVZJSEPMG-JTQLQIEISA-N 1 2 214.265 -0.776 20 0 BBADLO CNC(=O)C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185174074 398057893 /nfs/dbraw/zinc/05/78/93/398057893.db2.gz RMEAYPVZJSEPMG-JTQLQIEISA-N 1 2 214.265 -0.776 20 0 BBADLO CN(C)C(=O)C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185211631 134375358 /nfs/dbraw/zinc/37/53/58/134375358.db2.gz IYTMIXIJTNHECO-LLVKDONJSA-N 1 2 228.292 -0.434 20 0 BBADLO CN(C)C(=O)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185211631 134375357 /nfs/dbraw/zinc/37/53/57/134375357.db2.gz IYTMIXIJTNHECO-LLVKDONJSA-N 1 2 228.292 -0.434 20 0 BBADLO CN(C)C(=O)C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185211647 134375379 /nfs/dbraw/zinc/37/53/79/134375379.db2.gz IYTMIXIJTNHECO-NSHDSACASA-N 1 2 228.292 -0.434 20 0 BBADLO CN(C)C(=O)C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185211647 134375378 /nfs/dbraw/zinc/37/53/78/134375378.db2.gz IYTMIXIJTNHECO-NSHDSACASA-N 1 2 228.292 -0.434 20 0 BBADLO CCNC(=O)C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185211796 134374989 /nfs/dbraw/zinc/37/49/89/134374989.db2.gz QTCINZJKZBZZNY-LLVKDONJSA-N 1 2 228.292 -0.386 20 0 BBADLO CCNC(=O)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185211796 134374988 /nfs/dbraw/zinc/37/49/88/134374988.db2.gz QTCINZJKZBZZNY-LLVKDONJSA-N 1 2 228.292 -0.386 20 0 BBADLO CCNC(=O)C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185211812 134375074 /nfs/dbraw/zinc/37/50/74/134375074.db2.gz QTCINZJKZBZZNY-NSHDSACASA-N 1 2 228.292 -0.386 20 0 BBADLO CCNC(=O)C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185211812 134375073 /nfs/dbraw/zinc/37/50/73/134375073.db2.gz QTCINZJKZBZZNY-NSHDSACASA-N 1 2 228.292 -0.386 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185215427 535453067 /nfs/dbraw/zinc/45/30/67/535453067.db2.gz NJZZEJSXIFNQSU-GXSJLCMTSA-N 1 2 228.292 -0.258 20 0 BBADLO CC[C@@H](C(N)=O)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185215427 535453061 /nfs/dbraw/zinc/45/30/61/535453061.db2.gz NJZZEJSXIFNQSU-GXSJLCMTSA-N 1 2 228.292 -0.258 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185215444 134375276 /nfs/dbraw/zinc/37/52/76/134375276.db2.gz NJZZEJSXIFNQSU-MWLCHTKSSA-N 1 2 228.292 -0.258 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185215444 134375275 /nfs/dbraw/zinc/37/52/75/134375275.db2.gz NJZZEJSXIFNQSU-MWLCHTKSSA-N 1 2 228.292 -0.258 20 0 BBADLO CNC(=O)CC[N@@H+](C)Cc1nc(N(C)C)no1 ZINC000185256703 173249236 /nfs/dbraw/zinc/24/92/36/173249236.db2.gz IDOXOZQFWZFGSR-UHFFFAOYSA-N 1 2 241.295 -0.297 20 0 BBADLO CNC(=O)CC[N@H+](C)Cc1nc(N(C)C)no1 ZINC000185256703 173249233 /nfs/dbraw/zinc/24/92/33/173249233.db2.gz IDOXOZQFWZFGSR-UHFFFAOYSA-N 1 2 241.295 -0.297 20 0 BBADLO COC(=O)C[N@@H+](C)CCC1OCCO1 ZINC000185321107 643291510 /nfs/dbraw/zinc/29/15/10/643291510.db2.gz PMYCZLGZUMYJIC-UHFFFAOYSA-N 1 2 203.238 -0.146 20 0 BBADLO COC(=O)C[N@H+](C)CCC1OCCO1 ZINC000185321107 643291506 /nfs/dbraw/zinc/29/15/06/643291506.db2.gz PMYCZLGZUMYJIC-UHFFFAOYSA-N 1 2 203.238 -0.146 20 0 BBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C1(O)CCC1 ZINC000185373053 134377096 /nfs/dbraw/zinc/37/70/96/134377096.db2.gz BDGMKINLKRCCRT-SNVBAGLBSA-N 1 2 239.319 -0.983 20 0 BBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)C1(O)CCC1 ZINC000185373071 134377117 /nfs/dbraw/zinc/37/71/17/134377117.db2.gz BDGMKINLKRCCRT-JTQLQIEISA-N 1 2 239.319 -0.983 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCCNC(C)=O ZINC000185511619 134381225 /nfs/dbraw/zinc/38/12/25/134381225.db2.gz JKDHMDSYXIAWNJ-NXEZZACHSA-N 1 2 244.291 -0.879 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCCNC(C)=O ZINC000185511619 134381224 /nfs/dbraw/zinc/38/12/24/134381224.db2.gz JKDHMDSYXIAWNJ-NXEZZACHSA-N 1 2 244.291 -0.879 20 0 BBADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCCNC(C)=O ZINC000185511642 134381379 /nfs/dbraw/zinc/38/13/79/134381379.db2.gz JKDHMDSYXIAWNJ-ZJUUUORDSA-N 1 2 244.291 -0.879 20 0 BBADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCCNC(C)=O ZINC000185511642 134381378 /nfs/dbraw/zinc/38/13/78/134381378.db2.gz JKDHMDSYXIAWNJ-ZJUUUORDSA-N 1 2 244.291 -0.879 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCC(C)=O ZINC000185522881 711701640 /nfs/dbraw/zinc/70/16/40/711701640.db2.gz VCBOBNGCYZKDDA-RKDXNWHRSA-N 1 2 215.249 -0.426 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCC(C)=O ZINC000185522881 711701639 /nfs/dbraw/zinc/70/16/39/711701639.db2.gz VCBOBNGCYZKDDA-RKDXNWHRSA-N 1 2 215.249 -0.426 20 0 BBADLO COC(=O)C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000185886653 134399107 /nfs/dbraw/zinc/39/91/07/134399107.db2.gz PEMPKSYFBFOXHL-SNVBAGLBSA-N 1 2 214.265 -0.111 20 0 BBADLO COC(=O)C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000185886653 134399105 /nfs/dbraw/zinc/39/91/05/134399105.db2.gz PEMPKSYFBFOXHL-SNVBAGLBSA-N 1 2 214.265 -0.111 20 0 BBADLO COC(=O)C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185886671 134398466 /nfs/dbraw/zinc/39/84/66/134398466.db2.gz PEMPKSYFBFOXHL-JTQLQIEISA-N 1 2 214.265 -0.111 20 0 BBADLO COC(=O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185886671 134398465 /nfs/dbraw/zinc/39/84/65/134398465.db2.gz PEMPKSYFBFOXHL-JTQLQIEISA-N 1 2 214.265 -0.111 20 0 BBADLO C[C@]1(C(N)=O)CCCC[N@H+]1CC(=O)NC1CC1 ZINC000185892869 134398524 /nfs/dbraw/zinc/39/85/24/134398524.db2.gz TYMNUDSBHVGSOU-GFCCVEGCSA-N 1 2 239.319 -0.005 20 0 BBADLO C[C@]1(C(N)=O)CCCC[N@@H+]1CC(=O)NC1CC1 ZINC000185892869 134398522 /nfs/dbraw/zinc/39/85/22/134398522.db2.gz TYMNUDSBHVGSOU-GFCCVEGCSA-N 1 2 239.319 -0.005 20 0 BBADLO C[C@@]1(C(N)=O)CCCC[N@H+]1CC(=O)NC1CC1 ZINC000185892888 134398997 /nfs/dbraw/zinc/39/89/97/134398997.db2.gz TYMNUDSBHVGSOU-LBPRGKRZSA-N 1 2 239.319 -0.005 20 0 BBADLO C[C@@]1(C(N)=O)CCCC[N@@H+]1CC(=O)NC1CC1 ZINC000185892888 134398996 /nfs/dbraw/zinc/39/89/96/134398996.db2.gz TYMNUDSBHVGSOU-LBPRGKRZSA-N 1 2 239.319 -0.005 20 0 BBADLO CNC(=O)C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000185895463 134398509 /nfs/dbraw/zinc/39/85/09/134398509.db2.gz NMNHRLBNINRQSU-SNVBAGLBSA-N 1 2 213.281 -0.538 20 0 BBADLO CNC(=O)C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000185895463 134398508 /nfs/dbraw/zinc/39/85/08/134398508.db2.gz NMNHRLBNINRQSU-SNVBAGLBSA-N 1 2 213.281 -0.538 20 0 BBADLO CNC(=O)C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185895484 134398542 /nfs/dbraw/zinc/39/85/42/134398542.db2.gz NMNHRLBNINRQSU-JTQLQIEISA-N 1 2 213.281 -0.538 20 0 BBADLO CNC(=O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185895484 134398540 /nfs/dbraw/zinc/39/85/40/134398540.db2.gz NMNHRLBNINRQSU-JTQLQIEISA-N 1 2 213.281 -0.538 20 0 BBADLO C[C@]1(C(N)=O)CCCC[N@H+]1CCS(C)(=O)=O ZINC000185910590 134396485 /nfs/dbraw/zinc/39/64/85/134396485.db2.gz OCBUIBQETUVRIN-SNVBAGLBSA-N 1 2 248.348 -0.239 20 0 BBADLO C[C@]1(C(N)=O)CCCC[N@@H+]1CCS(C)(=O)=O ZINC000185910590 134396483 /nfs/dbraw/zinc/39/64/83/134396483.db2.gz OCBUIBQETUVRIN-SNVBAGLBSA-N 1 2 248.348 -0.239 20 0 BBADLO C[C@@]1(C(N)=O)CCCC[N@H+]1CCS(C)(=O)=O ZINC000185910610 134396246 /nfs/dbraw/zinc/39/62/46/134396246.db2.gz OCBUIBQETUVRIN-JTQLQIEISA-N 1 2 248.348 -0.239 20 0 BBADLO C[C@@]1(C(N)=O)CCCC[N@@H+]1CCS(C)(=O)=O ZINC000185910610 134396244 /nfs/dbraw/zinc/39/62/44/134396244.db2.gz OCBUIBQETUVRIN-JTQLQIEISA-N 1 2 248.348 -0.239 20 0 BBADLO COCC(=O)NC1CN(c2cc[nH+]c(C)n2)C1 ZINC000185918118 343485970 /nfs/dbraw/zinc/48/59/70/343485970.db2.gz LVLKCJZDEPPOFE-UHFFFAOYSA-N 1 2 236.275 -0.264 20 0 BBADLO CCNC(=O)C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185930992 134397271 /nfs/dbraw/zinc/39/72/71/134397271.db2.gz RZUKWMKUTIDVPN-NSHDSACASA-N 1 2 227.308 -0.148 20 0 BBADLO CCNC(=O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185930992 134397270 /nfs/dbraw/zinc/39/72/70/134397270.db2.gz RZUKWMKUTIDVPN-NSHDSACASA-N 1 2 227.308 -0.148 20 0 BBADLO CCNC(=O)C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000185931012 134397284 /nfs/dbraw/zinc/39/72/84/134397284.db2.gz RZUKWMKUTIDVPN-LLVKDONJSA-N 1 2 227.308 -0.148 20 0 BBADLO CCNC(=O)C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000185931012 134397283 /nfs/dbraw/zinc/39/72/83/134397283.db2.gz RZUKWMKUTIDVPN-LLVKDONJSA-N 1 2 227.308 -0.148 20 0 BBADLO CCOC(=O)C[NH2+]C(C)(C)CC(N)=O ZINC000186215106 385750743 /nfs/dbraw/zinc/75/07/43/385750743.db2.gz BOXQTLDQBSTINE-UHFFFAOYSA-N 1 2 202.254 -0.207 20 0 BBADLO COC(=O)[C@@]1(C)CCC[N@H+]1CC(N)=O ZINC000186354601 386731993 /nfs/dbraw/zinc/73/19/93/386731993.db2.gz NFOCBLRBVUFAJB-SECBINFHSA-N 1 2 200.238 -0.501 20 0 BBADLO COC(=O)[C@@]1(C)CCC[N@@H+]1CC(N)=O ZINC000186354601 386731987 /nfs/dbraw/zinc/73/19/87/386731987.db2.gz NFOCBLRBVUFAJB-SECBINFHSA-N 1 2 200.238 -0.501 20 0 BBADLO COC(=O)[C@]1(C)CCC[N@H+]1CC(N)=O ZINC000186354617 386733291 /nfs/dbraw/zinc/73/32/91/386733291.db2.gz NFOCBLRBVUFAJB-VIFPVBQESA-N 1 2 200.238 -0.501 20 0 BBADLO COC(=O)[C@]1(C)CCC[N@@H+]1CC(N)=O ZINC000186354617 386733288 /nfs/dbraw/zinc/73/32/88/386733288.db2.gz NFOCBLRBVUFAJB-VIFPVBQESA-N 1 2 200.238 -0.501 20 0 BBADLO CNC(=O)C[N@H+]1CCC[C@]1(C)C(=O)OC ZINC000186374324 385757121 /nfs/dbraw/zinc/75/71/21/385757121.db2.gz ALGDYWLDWNPOJD-SNVBAGLBSA-N 1 2 214.265 -0.240 20 0 BBADLO CNC(=O)C[N@@H+]1CCC[C@]1(C)C(=O)OC ZINC000186374324 385757117 /nfs/dbraw/zinc/75/71/17/385757117.db2.gz ALGDYWLDWNPOJD-SNVBAGLBSA-N 1 2 214.265 -0.240 20 0 BBADLO CNC(=O)C[N@H+]1CCC[C@@]1(C)C(=O)OC ZINC000186374344 385756963 /nfs/dbraw/zinc/75/69/63/385756963.db2.gz ALGDYWLDWNPOJD-JTQLQIEISA-N 1 2 214.265 -0.240 20 0 BBADLO CNC(=O)C[N@@H+]1CCC[C@@]1(C)C(=O)OC ZINC000186374344 385756959 /nfs/dbraw/zinc/75/69/59/385756959.db2.gz ALGDYWLDWNPOJD-JTQLQIEISA-N 1 2 214.265 -0.240 20 0 BBADLO Cn1cccc1C(=O)C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186476119 134417325 /nfs/dbraw/zinc/41/73/25/134417325.db2.gz BHEHRCRWQQKZLI-UWVGGRQHSA-N 1 2 238.287 -0.365 20 0 BBADLO Cn1cccc1C(=O)C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186476119 134417324 /nfs/dbraw/zinc/41/73/24/134417324.db2.gz BHEHRCRWQQKZLI-UWVGGRQHSA-N 1 2 238.287 -0.365 20 0 BBADLO CC(C)(C)OC(=O)C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186477432 387096980 /nfs/dbraw/zinc/09/69/80/387096980.db2.gz KADQYSICTBXDSS-IUCAKERBSA-N 1 2 231.292 -0.244 20 0 BBADLO CC(C)(C)OC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186477432 387096972 /nfs/dbraw/zinc/09/69/72/387096972.db2.gz KADQYSICTBXDSS-IUCAKERBSA-N 1 2 231.292 -0.244 20 0 BBADLO CCOC(=O)[C@@H](C)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186489695 386734677 /nfs/dbraw/zinc/73/46/77/386734677.db2.gz ZYKJKQKEYFOJOE-VGMNWLOBSA-N 1 2 217.265 -0.635 20 0 BBADLO CCOC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186489695 386734670 /nfs/dbraw/zinc/73/46/70/386734670.db2.gz ZYKJKQKEYFOJOE-VGMNWLOBSA-N 1 2 217.265 -0.635 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186489711 170267627 /nfs/dbraw/zinc/26/76/27/170267627.db2.gz ZYKJKQKEYFOJOE-CIUDSAMLSA-N 1 2 217.265 -0.635 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186489711 170267625 /nfs/dbraw/zinc/26/76/25/170267625.db2.gz ZYKJKQKEYFOJOE-CIUDSAMLSA-N 1 2 217.265 -0.635 20 0 BBADLO CCN1CC[N@@H+](CCOCCO)C(C)(C)C1=O ZINC000186516260 384848297 /nfs/dbraw/zinc/84/82/97/384848297.db2.gz ORASOHURHCLBHS-UHFFFAOYSA-N 1 2 244.335 -0.062 20 0 BBADLO CCN1CC[N@H+](CCOCCO)C(C)(C)C1=O ZINC000186516260 384848293 /nfs/dbraw/zinc/84/82/93/384848293.db2.gz ORASOHURHCLBHS-UHFFFAOYSA-N 1 2 244.335 -0.062 20 0 BBADLO CCCc1noc(C[N@H+]2C[C@@H](O)C[C@H]2CO)n1 ZINC000186522256 386735509 /nfs/dbraw/zinc/73/55/09/386735509.db2.gz ZOVTYMKSZJJVOR-IUCAKERBSA-N 1 2 241.291 -0.050 20 0 BBADLO CCCc1noc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)n1 ZINC000186522256 386735505 /nfs/dbraw/zinc/73/55/05/386735505.db2.gz ZOVTYMKSZJJVOR-IUCAKERBSA-N 1 2 241.291 -0.050 20 0 BBADLO CC(C)COC(=O)C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186525755 347236534 /nfs/dbraw/zinc/23/65/34/347236534.db2.gz BOMVLGZIGRUREF-UWVGGRQHSA-N 1 2 231.292 -0.387 20 0 BBADLO CC(C)COC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186525755 347236532 /nfs/dbraw/zinc/23/65/32/347236532.db2.gz BOMVLGZIGRUREF-UWVGGRQHSA-N 1 2 231.292 -0.387 20 0 BBADLO CCCOC(=O)[C@@H](C)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186536198 169298285 /nfs/dbraw/zinc/29/82/85/169298285.db2.gz XBTLHHJJXNDWBR-UTLUCORTSA-N 1 2 231.292 -0.244 20 0 BBADLO CCCOC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186536198 169298283 /nfs/dbraw/zinc/29/82/83/169298283.db2.gz XBTLHHJJXNDWBR-UTLUCORTSA-N 1 2 231.292 -0.244 20 0 BBADLO CCCOC(=O)[C@H](C)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186536215 169299261 /nfs/dbraw/zinc/29/92/61/169299261.db2.gz XBTLHHJJXNDWBR-GUBZILKMSA-N 1 2 231.292 -0.244 20 0 BBADLO CCCOC(=O)[C@H](C)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186536215 169299260 /nfs/dbraw/zinc/29/92/60/169299260.db2.gz XBTLHHJJXNDWBR-GUBZILKMSA-N 1 2 231.292 -0.244 20 0 BBADLO CCCCOC(=O)C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186548164 398054816 /nfs/dbraw/zinc/05/48/16/398054816.db2.gz PMSKGXJMDYUWNQ-UWVGGRQHSA-N 1 2 231.292 -0.243 20 0 BBADLO CCCCOC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186548164 398054812 /nfs/dbraw/zinc/05/48/12/398054812.db2.gz PMSKGXJMDYUWNQ-UWVGGRQHSA-N 1 2 231.292 -0.243 20 0 BBADLO C[C@H](CNC(=O)NC[C@H](C)O)[NH+]1CCOCC1 ZINC000186657868 383884281 /nfs/dbraw/zinc/88/42/81/383884281.db2.gz IJPOLKWWDXVGFY-ZJUUUORDSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@H](O)CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000186657887 383883026 /nfs/dbraw/zinc/88/30/26/383883026.db2.gz IJPOLKWWDXVGFY-UWVGGRQHSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@H](O)CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000186658032 383883843 /nfs/dbraw/zinc/88/38/43/383883843.db2.gz AUGODFDBXZXXQY-UWVGGRQHSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)O ZINC000186658050 383882782 /nfs/dbraw/zinc/88/27/82/383882782.db2.gz AUGODFDBXZXXQY-ZJUUUORDSA-N 1 2 245.323 -0.613 20 0 BBADLO CCNC(=O)C[N@H+]1CCC[C@@]12CCOC2=O ZINC000186683051 387122510 /nfs/dbraw/zinc/12/25/10/387122510.db2.gz HZIQFJFLBJLFOW-NSHDSACASA-N 1 2 226.276 -0.096 20 0 BBADLO CCNC(=O)C[N@@H+]1CCC[C@@]12CCOC2=O ZINC000186683051 387122506 /nfs/dbraw/zinc/12/25/06/387122506.db2.gz HZIQFJFLBJLFOW-NSHDSACASA-N 1 2 226.276 -0.096 20 0 BBADLO CCNC(=O)C[N@H+]1CCC[C@]12CCOC2=O ZINC000186683075 387121476 /nfs/dbraw/zinc/12/14/76/387121476.db2.gz HZIQFJFLBJLFOW-LLVKDONJSA-N 1 2 226.276 -0.096 20 0 BBADLO CCNC(=O)C[N@@H+]1CCC[C@]12CCOC2=O ZINC000186683075 387121473 /nfs/dbraw/zinc/12/14/73/387121473.db2.gz HZIQFJFLBJLFOW-LLVKDONJSA-N 1 2 226.276 -0.096 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)Cn1cn[nH]c1=O ZINC000186726709 385786764 /nfs/dbraw/zinc/78/67/64/385786764.db2.gz ZRVBHSVAHFBKRG-UHFFFAOYSA-N 1 2 233.231 -0.086 20 0 BBADLO CN(C)C(=O)C[N@H+]1CCC[C@@]12CCOC2=O ZINC000186741588 387128050 /nfs/dbraw/zinc/12/80/50/387128050.db2.gz PQROQOXCFPGHQX-NSHDSACASA-N 1 2 226.276 -0.144 20 0 BBADLO CN(C)C(=O)C[N@@H+]1CCC[C@@]12CCOC2=O ZINC000186741588 387128046 /nfs/dbraw/zinc/12/80/46/387128046.db2.gz PQROQOXCFPGHQX-NSHDSACASA-N 1 2 226.276 -0.144 20 0 BBADLO CN(C)C(=O)C[N@H+]1CCC[C@]12CCOC2=O ZINC000186741608 387128773 /nfs/dbraw/zinc/12/87/73/387128773.db2.gz PQROQOXCFPGHQX-LLVKDONJSA-N 1 2 226.276 -0.144 20 0 BBADLO CN(C)C(=O)C[N@@H+]1CCC[C@]12CCOC2=O ZINC000186741608 387128771 /nfs/dbraw/zinc/12/87/71/387128771.db2.gz PQROQOXCFPGHQX-LLVKDONJSA-N 1 2 226.276 -0.144 20 0 BBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C2CC(=O)C2)CC1 ZINC000186796925 398073939 /nfs/dbraw/zinc/07/39/39/398073939.db2.gz OGKLJDFQFXXUOZ-SECBINFHSA-N 1 2 240.303 -0.510 20 0 BBADLO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccon2)CC1 ZINC000186797590 175973804 /nfs/dbraw/zinc/97/38/04/175973804.db2.gz MEYHKDGQFNPQHC-SECBINFHSA-N 1 2 239.275 -0.187 20 0 BBADLO Cc1cc(NC(=O)Cn2cn[nH]c2=O)cc[nH+]1 ZINC000186853389 385807116 /nfs/dbraw/zinc/80/71/16/385807116.db2.gz PELKCNVFNDRUQP-UHFFFAOYSA-N 1 2 233.231 -0.086 20 0 BBADLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc[nH]n2)CC1 ZINC000186854769 385807568 /nfs/dbraw/zinc/80/75/68/385807568.db2.gz ILAFENZXHHHBOR-SECBINFHSA-N 1 2 238.291 -0.452 20 0 BBADLO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccn[nH]2)CC1 ZINC000186854769 385807565 /nfs/dbraw/zinc/80/75/65/385807565.db2.gz ILAFENZXHHHBOR-SECBINFHSA-N 1 2 238.291 -0.452 20 0 BBADLO COCCOCC[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000186939365 387148643 /nfs/dbraw/zinc/14/86/43/387148643.db2.gz BNBXSYKQMPKSHF-SNVBAGLBSA-N 1 2 230.308 -0.188 20 0 BBADLO COCCOCC[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000186939365 387148636 /nfs/dbraw/zinc/14/86/36/387148636.db2.gz BNBXSYKQMPKSHF-SNVBAGLBSA-N 1 2 230.308 -0.188 20 0 BBADLO COCCOCC[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000186939383 387148963 /nfs/dbraw/zinc/14/89/63/387148963.db2.gz BNBXSYKQMPKSHF-JTQLQIEISA-N 1 2 230.308 -0.188 20 0 BBADLO COCCOCC[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000186939383 387148959 /nfs/dbraw/zinc/14/89/59/387148959.db2.gz BNBXSYKQMPKSHF-JTQLQIEISA-N 1 2 230.308 -0.188 20 0 BBADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCOCCO ZINC000186952275 384898123 /nfs/dbraw/zinc/89/81/23/384898123.db2.gz MJCJXUWJAHCYRV-SECBINFHSA-N 1 2 216.281 -0.842 20 0 BBADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCOCCO ZINC000186952275 384898112 /nfs/dbraw/zinc/89/81/12/384898112.db2.gz MJCJXUWJAHCYRV-SECBINFHSA-N 1 2 216.281 -0.842 20 0 BBADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCOCCO ZINC000186952292 398079804 /nfs/dbraw/zinc/07/98/04/398079804.db2.gz MJCJXUWJAHCYRV-VIFPVBQESA-N 1 2 216.281 -0.842 20 0 BBADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCOCCO ZINC000186952292 398079798 /nfs/dbraw/zinc/07/97/98/398079798.db2.gz MJCJXUWJAHCYRV-VIFPVBQESA-N 1 2 216.281 -0.842 20 0 BBADLO [NH3+]CC(F)(F)CNS(=O)(=O)CCCF ZINC000186988478 181357489 /nfs/dbraw/zinc/35/74/89/181357489.db2.gz CQEJOWHXVFHNPL-UHFFFAOYSA-N 1 2 234.243 -0.141 20 0 BBADLO COC[C@H](C)S(=O)(=O)NCC(F)(F)C[NH3+] ZINC000186990504 385823463 /nfs/dbraw/zinc/82/34/63/385823463.db2.gz PPVRIHYIGXBUTP-LURJTMIESA-N 1 2 246.279 -0.465 20 0 BBADLO COC[C@@H](C)S(=O)(=O)NCC(F)(F)C[NH3+] ZINC000186990525 385823253 /nfs/dbraw/zinc/82/32/53/385823253.db2.gz PPVRIHYIGXBUTP-ZCFIWIBFSA-N 1 2 246.279 -0.465 20 0 BBADLO CCCN(C)S(=O)(=O)NCC(F)(F)C[NH3+] ZINC000186992365 169083704 /nfs/dbraw/zinc/08/37/04/169083704.db2.gz VKVAZPYDYYCFON-UHFFFAOYSA-N 1 2 245.295 -0.243 20 0 BBADLO CC(C)OC[C@@H](O)C[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000186996958 385825682 /nfs/dbraw/zinc/82/56/82/385825682.db2.gz PNZIQDGIWGJITK-MNOVXSKESA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)OC[C@@H](O)C[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000186996958 385825678 /nfs/dbraw/zinc/82/56/78/385825678.db2.gz PNZIQDGIWGJITK-MNOVXSKESA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)OC[C@@H](O)C[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000186996976 385824505 /nfs/dbraw/zinc/82/45/05/385824505.db2.gz PNZIQDGIWGJITK-QWRGUYRKSA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)OC[C@@H](O)C[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000186996976 385824497 /nfs/dbraw/zinc/82/44/97/385824497.db2.gz PNZIQDGIWGJITK-QWRGUYRKSA-N 1 2 244.335 -0.065 20 0 BBADLO CC(=O)NCCC[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000187027764 385824956 /nfs/dbraw/zinc/82/49/56/385824956.db2.gz WNPUOPSJFHGIAY-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CC(=O)NCCC[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000187027764 385824952 /nfs/dbraw/zinc/82/49/52/385824952.db2.gz WNPUOPSJFHGIAY-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CC(=O)NCCC[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000187027783 385824055 /nfs/dbraw/zinc/82/40/55/385824055.db2.gz WNPUOPSJFHGIAY-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO CC(=O)NCCC[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000187027783 385824053 /nfs/dbraw/zinc/82/40/53/385824053.db2.gz WNPUOPSJFHGIAY-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO COC(=O)CC[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000187042886 386276855 /nfs/dbraw/zinc/27/68/55/386276855.db2.gz RVWDRJYVISSLPQ-MRVPVSSYSA-N 1 2 214.265 -0.288 20 0 BBADLO COC(=O)CC[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000187042886 386276854 /nfs/dbraw/zinc/27/68/54/386276854.db2.gz RVWDRJYVISSLPQ-MRVPVSSYSA-N 1 2 214.265 -0.288 20 0 BBADLO COC(=O)CC[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000187042903 386276950 /nfs/dbraw/zinc/27/69/50/386276950.db2.gz RVWDRJYVISSLPQ-QMMMGPOBSA-N 1 2 214.265 -0.288 20 0 BBADLO COC(=O)CC[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000187042903 386276949 /nfs/dbraw/zinc/27/69/49/386276949.db2.gz RVWDRJYVISSLPQ-QMMMGPOBSA-N 1 2 214.265 -0.288 20 0 BBADLO COC[C@@H](O)C[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187051101 384176579 /nfs/dbraw/zinc/17/65/79/384176579.db2.gz HNTMDLUBOJKSGB-NSHDSACASA-N 1 2 244.335 -0.206 20 0 BBADLO COC[C@@H](O)C[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187051101 384176573 /nfs/dbraw/zinc/17/65/73/384176573.db2.gz HNTMDLUBOJKSGB-NSHDSACASA-N 1 2 244.335 -0.206 20 0 BBADLO CC(C)CN1CC[N@@H+](CCO)CC1=O ZINC000187053700 386266208 /nfs/dbraw/zinc/26/62/08/386266208.db2.gz RXQAMPVEMHCINJ-UHFFFAOYSA-N 1 2 200.282 -0.221 20 0 BBADLO CC(C)CN1CC[N@H+](CCO)CC1=O ZINC000187053700 386266203 /nfs/dbraw/zinc/26/62/03/386266203.db2.gz RXQAMPVEMHCINJ-UHFFFAOYSA-N 1 2 200.282 -0.221 20 0 BBADLO COC[C@H](O)C[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187058725 384175382 /nfs/dbraw/zinc/17/53/82/384175382.db2.gz HNTMDLUBOJKSGB-LLVKDONJSA-N 1 2 244.335 -0.206 20 0 BBADLO COC[C@H](O)C[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187058725 384175377 /nfs/dbraw/zinc/17/53/77/384175377.db2.gz HNTMDLUBOJKSGB-LLVKDONJSA-N 1 2 244.335 -0.206 20 0 BBADLO CC(C)CN1CC[N@@H+](CCOCCO)CC1=O ZINC000187058941 386271458 /nfs/dbraw/zinc/27/14/58/386271458.db2.gz AGDHCAVBNHAILJ-UHFFFAOYSA-N 1 2 244.335 -0.205 20 0 BBADLO CC(C)CN1CC[N@H+](CCOCCO)CC1=O ZINC000187058941 386271454 /nfs/dbraw/zinc/27/14/54/386271454.db2.gz AGDHCAVBNHAILJ-UHFFFAOYSA-N 1 2 244.335 -0.205 20 0 BBADLO Cc1cc(N2CC[NH+]([C@@H](C)C(N)=O)CC2)n[nH]1 ZINC000187176705 387172401 /nfs/dbraw/zinc/17/24/01/387172401.db2.gz KJSPZEGHQLHJNY-VIFPVBQESA-N 1 2 237.307 -0.286 20 0 BBADLO Cc1cc(N2CC[NH+]([C@H](C)C(N)=O)CC2)n[nH]1 ZINC000187176714 387172074 /nfs/dbraw/zinc/17/20/74/387172074.db2.gz KJSPZEGHQLHJNY-SECBINFHSA-N 1 2 237.307 -0.286 20 0 BBADLO CNC(=O)C[NH+]1CCN(c2cc(C)[nH]n2)CC1 ZINC000187187364 387172628 /nfs/dbraw/zinc/17/26/28/387172628.db2.gz AMZKHDYHUFJAEC-UHFFFAOYSA-N 1 2 237.307 -0.414 20 0 BBADLO Cc1cc(N2CC[NH+](CC(N)=O)CC2)n[nH]1 ZINC000187257794 387184683 /nfs/dbraw/zinc/18/46/83/387184683.db2.gz LLGBWOXCPLFPHS-UHFFFAOYSA-N 1 2 223.280 -0.675 20 0 BBADLO Cc1cc(N2CC[NH+]([C@@H]3CCNC3=O)CC2)n[nH]1 ZINC000187272297 387185137 /nfs/dbraw/zinc/18/51/37/387185137.db2.gz JEQAGTXXLJDNCL-SNVBAGLBSA-N 1 2 249.318 -0.271 20 0 BBADLO Cc1cc(N2CC[NH+]([C@H]3CCNC3=O)CC2)n[nH]1 ZINC000187272311 387184595 /nfs/dbraw/zinc/18/45/95/387184595.db2.gz JEQAGTXXLJDNCL-JTQLQIEISA-N 1 2 249.318 -0.271 20 0 BBADLO CCC[C@]1(C)C(=O)NCC[N@@H+]1CC(=O)NC ZINC000187311072 386519577 /nfs/dbraw/zinc/51/95/77/386519577.db2.gz KDDODGWCCAEOBE-LLVKDONJSA-N 1 2 227.308 -0.277 20 0 BBADLO CCC[C@]1(C)C(=O)NCC[N@H+]1CC(=O)NC ZINC000187311072 386519571 /nfs/dbraw/zinc/51/95/71/386519571.db2.gz KDDODGWCCAEOBE-LLVKDONJSA-N 1 2 227.308 -0.277 20 0 BBADLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1CC(=O)NC ZINC000187311088 386520480 /nfs/dbraw/zinc/52/04/80/386520480.db2.gz KDDODGWCCAEOBE-NSHDSACASA-N 1 2 227.308 -0.277 20 0 BBADLO CCC[C@@]1(C)C(=O)NCC[N@H+]1CC(=O)NC ZINC000187311088 386520476 /nfs/dbraw/zinc/52/04/76/386520476.db2.gz KDDODGWCCAEOBE-NSHDSACASA-N 1 2 227.308 -0.277 20 0 BBADLO CCC[C@]1(C)C(=O)NCC[N@@H+]1CC(N)=O ZINC000187342852 386523603 /nfs/dbraw/zinc/52/36/03/386523603.db2.gz DAZWTCIQEYFYGC-SNVBAGLBSA-N 1 2 213.281 -0.538 20 0 BBADLO CCC[C@]1(C)C(=O)NCC[N@H+]1CC(N)=O ZINC000187342852 386523596 /nfs/dbraw/zinc/52/35/96/386523596.db2.gz DAZWTCIQEYFYGC-SNVBAGLBSA-N 1 2 213.281 -0.538 20 0 BBADLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1CC(N)=O ZINC000187342872 386522443 /nfs/dbraw/zinc/52/24/43/386522443.db2.gz DAZWTCIQEYFYGC-JTQLQIEISA-N 1 2 213.281 -0.538 20 0 BBADLO CCC[C@@]1(C)C(=O)NCC[N@H+]1CC(N)=O ZINC000187342872 386522435 /nfs/dbraw/zinc/52/24/35/386522435.db2.gz DAZWTCIQEYFYGC-JTQLQIEISA-N 1 2 213.281 -0.538 20 0 BBADLO C[C@@H]1CC[N@@H+](CC(=O)NC2CC2)[C@H](C(N)=O)C1 ZINC000187405318 176166506 /nfs/dbraw/zinc/16/65/06/176166506.db2.gz ORPFCQDYQSWRET-SCZZXKLOSA-N 1 2 239.319 -0.149 20 0 BBADLO C[C@@H]1CC[N@H+](CC(=O)NC2CC2)[C@H](C(N)=O)C1 ZINC000187405318 176166504 /nfs/dbraw/zinc/16/65/04/176166504.db2.gz ORPFCQDYQSWRET-SCZZXKLOSA-N 1 2 239.319 -0.149 20 0 BBADLO C[C@H]1CC[N@@H+](CC(=O)NC2CC2)[C@H](C(N)=O)C1 ZINC000187405335 177158700 /nfs/dbraw/zinc/15/87/00/177158700.db2.gz ORPFCQDYQSWRET-WPRPVWTQSA-N 1 2 239.319 -0.149 20 0 BBADLO C[C@H]1CC[N@H+](CC(=O)NC2CC2)[C@H](C(N)=O)C1 ZINC000187405335 177158699 /nfs/dbraw/zinc/15/86/99/177158699.db2.gz ORPFCQDYQSWRET-WPRPVWTQSA-N 1 2 239.319 -0.149 20 0 BBADLO CCNC(=O)C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000187412315 205744986 /nfs/dbraw/zinc/74/49/86/205744986.db2.gz VXWJUYRXLCNUKE-DTWKUNHWSA-N 1 2 227.308 -0.292 20 0 BBADLO CCNC(=O)C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000187412315 205744982 /nfs/dbraw/zinc/74/49/82/205744982.db2.gz VXWJUYRXLCNUKE-DTWKUNHWSA-N 1 2 227.308 -0.292 20 0 BBADLO CCNC(=O)C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000187412332 385749712 /nfs/dbraw/zinc/74/97/12/385749712.db2.gz VXWJUYRXLCNUKE-RKDXNWHRSA-N 1 2 227.308 -0.292 20 0 BBADLO CCNC(=O)C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000187412332 385749704 /nfs/dbraw/zinc/74/97/04/385749704.db2.gz VXWJUYRXLCNUKE-RKDXNWHRSA-N 1 2 227.308 -0.292 20 0 BBADLO CNC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000187412920 346574860 /nfs/dbraw/zinc/57/48/60/346574860.db2.gz LSQRSIFAGLTPHY-SFYZADRCSA-N 1 2 213.281 -0.682 20 0 BBADLO CNC(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000187412920 346574857 /nfs/dbraw/zinc/57/48/57/346574857.db2.gz LSQRSIFAGLTPHY-SFYZADRCSA-N 1 2 213.281 -0.682 20 0 BBADLO CNC(=O)C[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000187412940 346574686 /nfs/dbraw/zinc/57/46/86/346574686.db2.gz LSQRSIFAGLTPHY-YUMQZZPRSA-N 1 2 213.281 -0.682 20 0 BBADLO CNC(=O)C[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000187412940 346574681 /nfs/dbraw/zinc/57/46/81/346574681.db2.gz LSQRSIFAGLTPHY-YUMQZZPRSA-N 1 2 213.281 -0.682 20 0 BBADLO C[C@@H]1CC[N@@H+](CC(=O)N(C)C)[C@H](C(N)=O)C1 ZINC000187439584 346576490 /nfs/dbraw/zinc/57/64/90/346576490.db2.gz PCVKQRRQBQEWNV-BDAKNGLRSA-N 1 2 227.308 -0.340 20 0 BBADLO C[C@@H]1CC[N@H+](CC(=O)N(C)C)[C@H](C(N)=O)C1 ZINC000187439584 346576487 /nfs/dbraw/zinc/57/64/87/346576487.db2.gz PCVKQRRQBQEWNV-BDAKNGLRSA-N 1 2 227.308 -0.340 20 0 BBADLO C[C@H]1CC[N@@H+](CC(=O)N(C)C)[C@H](C(N)=O)C1 ZINC000187439599 346576404 /nfs/dbraw/zinc/57/64/04/346576404.db2.gz PCVKQRRQBQEWNV-IUCAKERBSA-N 1 2 227.308 -0.340 20 0 BBADLO C[C@H]1CC[N@H+](CC(=O)N(C)C)[C@H](C(N)=O)C1 ZINC000187439599 346576400 /nfs/dbraw/zinc/57/64/00/346576400.db2.gz PCVKQRRQBQEWNV-IUCAKERBSA-N 1 2 227.308 -0.340 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CC1=CCCOC1 ZINC000187571007 384962518 /nfs/dbraw/zinc/96/25/18/384962518.db2.gz OLGFOUFLVHNJRI-GHMZBOCLSA-N 1 2 241.287 -0.059 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CC1=CCCOC1 ZINC000187571007 384962510 /nfs/dbraw/zinc/96/25/10/384962510.db2.gz OLGFOUFLVHNJRI-GHMZBOCLSA-N 1 2 241.287 -0.059 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCN(CCO)[C@H](C)C1 ZINC000187703939 386579848 /nfs/dbraw/zinc/57/98/48/386579848.db2.gz SGBBVZAHGWCGLO-MNOVXSKESA-N 1 2 243.351 -0.539 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000187703939 386579847 /nfs/dbraw/zinc/57/98/47/386579847.db2.gz SGBBVZAHGWCGLO-MNOVXSKESA-N 1 2 243.351 -0.539 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCN(CCO)[C@@H](C)C1 ZINC000187703958 386581577 /nfs/dbraw/zinc/58/15/77/386581577.db2.gz SGBBVZAHGWCGLO-QWRGUYRKSA-N 1 2 243.351 -0.539 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000187703958 386581570 /nfs/dbraw/zinc/58/15/70/386581570.db2.gz SGBBVZAHGWCGLO-QWRGUYRKSA-N 1 2 243.351 -0.539 20 0 BBADLO COC(=O)C[N@@H+](C)C[C@H](O)CSC ZINC000187708656 386584851 /nfs/dbraw/zinc/58/48/51/386584851.db2.gz LVLBOYPBQFDQNF-ZETCQYMHSA-N 1 2 207.295 -0.185 20 0 BBADLO COC(=O)C[N@H+](C)C[C@H](O)CSC ZINC000187708656 386584844 /nfs/dbraw/zinc/58/48/44/386584844.db2.gz LVLBOYPBQFDQNF-ZETCQYMHSA-N 1 2 207.295 -0.185 20 0 BBADLO COC(=O)C[N@@H+](C)C[C@@H](O)CSC ZINC000187708672 386584573 /nfs/dbraw/zinc/58/45/73/386584573.db2.gz LVLBOYPBQFDQNF-SSDOTTSWSA-N 1 2 207.295 -0.185 20 0 BBADLO COC(=O)C[N@H+](C)C[C@@H](O)CSC ZINC000187708672 386584568 /nfs/dbraw/zinc/58/45/68/386584568.db2.gz LVLBOYPBQFDQNF-SSDOTTSWSA-N 1 2 207.295 -0.185 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+]1CCN(CCO)[C@H](C)C1 ZINC000187718234 384304217 /nfs/dbraw/zinc/30/42/17/384304217.db2.gz JUUBOJGREGQQOG-ZJUUUORDSA-N 1 2 229.324 -0.751 20 0 BBADLO CC[C@@H](C(N)=O)[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000187718234 384304215 /nfs/dbraw/zinc/30/42/15/384304215.db2.gz JUUBOJGREGQQOG-ZJUUUORDSA-N 1 2 229.324 -0.751 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1CCN(CCO)[C@H](C)C1 ZINC000187718253 171245178 /nfs/dbraw/zinc/24/51/78/171245178.db2.gz JUUBOJGREGQQOG-NXEZZACHSA-N 1 2 229.324 -0.751 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000187718253 171245177 /nfs/dbraw/zinc/24/51/77/171245177.db2.gz JUUBOJGREGQQOG-NXEZZACHSA-N 1 2 229.324 -0.751 20 0 BBADLO CSC[C@H](O)C[N@H+]1CCNC(=O)C1 ZINC000187735814 386586641 /nfs/dbraw/zinc/58/66/41/386586641.db2.gz REILOFMTFLTFJU-SSDOTTSWSA-N 1 2 204.295 -0.858 20 0 BBADLO CSC[C@H](O)C[N@@H+]1CCNC(=O)C1 ZINC000187735814 386586636 /nfs/dbraw/zinc/58/66/36/386586636.db2.gz REILOFMTFLTFJU-SSDOTTSWSA-N 1 2 204.295 -0.858 20 0 BBADLO CSC[C@@H](O)C[N@H+]1CCNC(=O)C1 ZINC000187735831 386587403 /nfs/dbraw/zinc/58/74/03/386587403.db2.gz REILOFMTFLTFJU-ZETCQYMHSA-N 1 2 204.295 -0.858 20 0 BBADLO CSC[C@@H](O)C[N@@H+]1CCNC(=O)C1 ZINC000187735831 386587397 /nfs/dbraw/zinc/58/73/97/386587397.db2.gz REILOFMTFLTFJU-ZETCQYMHSA-N 1 2 204.295 -0.858 20 0 BBADLO CSC[C@@H](O)C[N@H+]1CCNC(=O)[C@H]1C ZINC000187808615 386602599 /nfs/dbraw/zinc/60/25/99/386602599.db2.gz LYCJZKNTSPCSDC-SFYZADRCSA-N 1 2 218.322 -0.469 20 0 BBADLO CSC[C@@H](O)C[N@@H+]1CCNC(=O)[C@H]1C ZINC000187808615 386602595 /nfs/dbraw/zinc/60/25/95/386602595.db2.gz LYCJZKNTSPCSDC-SFYZADRCSA-N 1 2 218.322 -0.469 20 0 BBADLO CSC[C@@H](O)C[N@H+]1CCNC(=O)[C@@H]1C ZINC000187808634 386602396 /nfs/dbraw/zinc/60/23/96/386602396.db2.gz LYCJZKNTSPCSDC-YUMQZZPRSA-N 1 2 218.322 -0.469 20 0 BBADLO CSC[C@@H](O)C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000187808634 386602394 /nfs/dbraw/zinc/60/23/94/386602394.db2.gz LYCJZKNTSPCSDC-YUMQZZPRSA-N 1 2 218.322 -0.469 20 0 BBADLO CSC[C@@H](O)C[N@@H+](C)CCS(C)(=O)=O ZINC000187811891 634121314 /nfs/dbraw/zinc/12/13/14/634121314.db2.gz ANISEZXUKOBMJF-QMMMGPOBSA-N 1 2 241.378 -0.313 20 0 BBADLO CSC[C@@H](O)C[N@H+](C)CCS(C)(=O)=O ZINC000187811891 634121305 /nfs/dbraw/zinc/12/13/05/634121305.db2.gz ANISEZXUKOBMJF-QMMMGPOBSA-N 1 2 241.378 -0.313 20 0 BBADLO CSC[C@H](O)C[N@@H+](C)CCS(C)(=O)=O ZINC000187811917 641727720 /nfs/dbraw/zinc/72/77/20/641727720.db2.gz ANISEZXUKOBMJF-MRVPVSSYSA-N 1 2 241.378 -0.313 20 0 BBADLO CSC[C@H](O)C[N@H+](C)CCS(C)(=O)=O ZINC000187811917 641727715 /nfs/dbraw/zinc/72/77/15/641727715.db2.gz ANISEZXUKOBMJF-MRVPVSSYSA-N 1 2 241.378 -0.313 20 0 BBADLO CSC[C@H](O)C[NH+]1CCS(=O)CC1 ZINC000187867320 386656515 /nfs/dbraw/zinc/65/65/15/386656515.db2.gz PTFHYABZMDTBBQ-MRVPVSSYSA-N 1 2 223.363 -0.225 20 0 BBADLO CSC[C@@H](O)C[NH+]1CCS(=O)CC1 ZINC000187867348 386655624 /nfs/dbraw/zinc/65/56/24/386655624.db2.gz PTFHYABZMDTBBQ-QMMMGPOBSA-N 1 2 223.363 -0.225 20 0 BBADLO CSC[C@@H](O)C[N@H+]1CCN(C)C(=O)C1 ZINC000187901013 346644911 /nfs/dbraw/zinc/64/49/11/346644911.db2.gz AROLFEISFUGSPC-QMMMGPOBSA-N 1 2 218.322 -0.516 20 0 BBADLO CSC[C@@H](O)C[N@@H+]1CCN(C)C(=O)C1 ZINC000187901013 346644909 /nfs/dbraw/zinc/64/49/09/346644909.db2.gz AROLFEISFUGSPC-QMMMGPOBSA-N 1 2 218.322 -0.516 20 0 BBADLO CSC[C@H](O)C[N@H+]1CCN(C)C(=O)C1 ZINC000187901044 346644767 /nfs/dbraw/zinc/64/47/67/346644767.db2.gz AROLFEISFUGSPC-MRVPVSSYSA-N 1 2 218.322 -0.516 20 0 BBADLO CSC[C@H](O)C[N@@H+]1CCN(C)C(=O)C1 ZINC000187901044 346644765 /nfs/dbraw/zinc/64/47/65/346644765.db2.gz AROLFEISFUGSPC-MRVPVSSYSA-N 1 2 218.322 -0.516 20 0 BBADLO C[C@H]1OCC[C@H]1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000188138016 387255232 /nfs/dbraw/zinc/25/52/32/387255232.db2.gz PHFDPOLNALWPEW-NXEZZACHSA-N 1 2 248.348 -0.259 20 0 BBADLO C[C@@H]1OCC[C@H]1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000188138038 134492864 /nfs/dbraw/zinc/49/28/64/134492864.db2.gz PHFDPOLNALWPEW-VHSXEESVSA-N 1 2 248.348 -0.259 20 0 BBADLO C[C@H]1OCC[C@@H]1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000188138062 387253731 /nfs/dbraw/zinc/25/37/31/387253731.db2.gz PHFDPOLNALWPEW-ZJUUUORDSA-N 1 2 248.348 -0.259 20 0 BBADLO C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000188138082 387253690 /nfs/dbraw/zinc/25/36/90/387253690.db2.gz PHFDPOLNALWPEW-UWVGGRQHSA-N 1 2 248.348 -0.259 20 0 BBADLO CC(=O)N1CC(C(=O)NCCn2cc[nH+]c2)C1 ZINC000188206075 385024499 /nfs/dbraw/zinc/02/44/99/385024499.db2.gz QSNXNNSLVVPACO-UHFFFAOYSA-N 1 2 236.275 -0.522 20 0 BBADLO O=C(CO)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000188239564 385675718 /nfs/dbraw/zinc/67/57/18/385675718.db2.gz OUJZQIVUOMDQRQ-UHFFFAOYSA-N 1 2 224.264 -0.954 20 0 BBADLO O=C(CO)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000188239564 385675711 /nfs/dbraw/zinc/67/57/11/385675711.db2.gz OUJZQIVUOMDQRQ-UHFFFAOYSA-N 1 2 224.264 -0.954 20 0 BBADLO O=C(NCCO)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000188395711 357529687 /nfs/dbraw/zinc/52/96/87/357529687.db2.gz KYXSBGOJZSXTFW-LLVKDONJSA-N 1 2 242.319 -0.262 20 0 BBADLO O=C(NCCO)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000188395711 357529684 /nfs/dbraw/zinc/52/96/84/357529684.db2.gz KYXSBGOJZSXTFW-LLVKDONJSA-N 1 2 242.319 -0.262 20 0 BBADLO O=C(NCCO)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000188395736 357529872 /nfs/dbraw/zinc/52/98/72/357529872.db2.gz KYXSBGOJZSXTFW-NSHDSACASA-N 1 2 242.319 -0.262 20 0 BBADLO O=C(NCCO)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000188395736 357529867 /nfs/dbraw/zinc/52/98/67/357529867.db2.gz KYXSBGOJZSXTFW-NSHDSACASA-N 1 2 242.319 -0.262 20 0 BBADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCCNC(C)=O ZINC000188596557 347284723 /nfs/dbraw/zinc/28/47/23/347284723.db2.gz JKDHMDSYXIAWNJ-VHSXEESVSA-N 1 2 244.291 -0.879 20 0 BBADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCCNC(C)=O ZINC000188596557 347284720 /nfs/dbraw/zinc/28/47/20/347284720.db2.gz JKDHMDSYXIAWNJ-VHSXEESVSA-N 1 2 244.291 -0.879 20 0 BBADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCC(C)=O ZINC000188599127 641762832 /nfs/dbraw/zinc/76/28/32/641762832.db2.gz VCBOBNGCYZKDDA-DTWKUNHWSA-N 1 2 215.249 -0.426 20 0 BBADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCC(C)=O ZINC000188599127 641762829 /nfs/dbraw/zinc/76/28/29/641762829.db2.gz VCBOBNGCYZKDDA-DTWKUNHWSA-N 1 2 215.249 -0.426 20 0 BBADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CC1=CCCOC1 ZINC000188611507 385070387 /nfs/dbraw/zinc/07/03/87/385070387.db2.gz OLGFOUFLVHNJRI-WDEREUQCSA-N 1 2 241.287 -0.059 20 0 BBADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CC1=CCCOC1 ZINC000188611507 385070378 /nfs/dbraw/zinc/07/03/78/385070378.db2.gz OLGFOUFLVHNJRI-WDEREUQCSA-N 1 2 241.287 -0.059 20 0 BBADLO C[C@@H](c1nnnn1C)[N@H+]1CCC[C@H](O)C1 ZINC000188668690 387062624 /nfs/dbraw/zinc/06/26/24/387062624.db2.gz VBTALVFAUANEDO-YUMQZZPRSA-N 1 2 211.269 -0.272 20 0 BBADLO C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@H](O)C1 ZINC000188668690 387062621 /nfs/dbraw/zinc/06/26/21/387062621.db2.gz VBTALVFAUANEDO-YUMQZZPRSA-N 1 2 211.269 -0.272 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+]1CCC[C@H](O)C1 ZINC000188668711 387064099 /nfs/dbraw/zinc/06/40/99/387064099.db2.gz VBTALVFAUANEDO-SFYZADRCSA-N 1 2 211.269 -0.272 20 0 BBADLO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@H](O)C1 ZINC000188668711 387064096 /nfs/dbraw/zinc/06/40/96/387064096.db2.gz VBTALVFAUANEDO-SFYZADRCSA-N 1 2 211.269 -0.272 20 0 BBADLO C[C@@H](c1nnnn1C)[N@H+]1CCC[C@H](CO)C1 ZINC000188670082 387063056 /nfs/dbraw/zinc/06/30/56/387063056.db2.gz UAINRFDINAFSPQ-IUCAKERBSA-N 1 2 225.296 -0.025 20 0 BBADLO C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@H](CO)C1 ZINC000188670082 387063051 /nfs/dbraw/zinc/06/30/51/387063051.db2.gz UAINRFDINAFSPQ-IUCAKERBSA-N 1 2 225.296 -0.025 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+]1CCC[C@H](CO)C1 ZINC000188670103 387063813 /nfs/dbraw/zinc/06/38/13/387063813.db2.gz UAINRFDINAFSPQ-BDAKNGLRSA-N 1 2 225.296 -0.025 20 0 BBADLO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@H](CO)C1 ZINC000188670103 387063809 /nfs/dbraw/zinc/06/38/09/387063809.db2.gz UAINRFDINAFSPQ-BDAKNGLRSA-N 1 2 225.296 -0.025 20 0 BBADLO C[C@@H]1CN(S(=O)(=O)C2CC2)CC[N@H+]1CCO ZINC000188719801 387086261 /nfs/dbraw/zinc/08/62/61/387086261.db2.gz OMJUXXRCONBFCP-SECBINFHSA-N 1 2 248.348 -0.523 20 0 BBADLO C[C@@H]1CN(S(=O)(=O)C2CC2)CC[N@@H+]1CCO ZINC000188719801 387086256 /nfs/dbraw/zinc/08/62/56/387086256.db2.gz OMJUXXRCONBFCP-SECBINFHSA-N 1 2 248.348 -0.523 20 0 BBADLO C[C@H]1CN(S(=O)(=O)C2CC2)CC[N@H+]1CCO ZINC000188719828 387085264 /nfs/dbraw/zinc/08/52/64/387085264.db2.gz OMJUXXRCONBFCP-VIFPVBQESA-N 1 2 248.348 -0.523 20 0 BBADLO C[C@H]1CN(S(=O)(=O)C2CC2)CC[N@@H+]1CCO ZINC000188719828 387085262 /nfs/dbraw/zinc/08/52/62/387085262.db2.gz OMJUXXRCONBFCP-VIFPVBQESA-N 1 2 248.348 -0.523 20 0 BBADLO CCS(=O)(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188723879 357565920 /nfs/dbraw/zinc/56/59/20/357565920.db2.gz PLIFXILBGVPGCD-SECBINFHSA-N 1 2 236.337 -0.666 20 0 BBADLO CCS(=O)(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188723879 357565919 /nfs/dbraw/zinc/56/59/19/357565919.db2.gz PLIFXILBGVPGCD-SECBINFHSA-N 1 2 236.337 -0.666 20 0 BBADLO C[C@@H](c1nnnn1C)[NH+]1CCC(CO)CC1 ZINC000188734862 387089069 /nfs/dbraw/zinc/08/90/69/387089069.db2.gz GHOCHERGPUILPC-QMMMGPOBSA-N 1 2 225.296 -0.025 20 0 BBADLO C[C@H](c1nnnn1C)[NH+]1CCC(CO)CC1 ZINC000188734886 387087190 /nfs/dbraw/zinc/08/71/90/387087190.db2.gz GHOCHERGPUILPC-MRVPVSSYSA-N 1 2 225.296 -0.025 20 0 BBADLO C[C@@H]1CN(C(=O)c2ccon2)CC[N@H+]1CCO ZINC000188746629 387086864 /nfs/dbraw/zinc/08/68/64/387086864.db2.gz MYFKQMQNAKFUGP-SECBINFHSA-N 1 2 239.275 -0.187 20 0 BBADLO C[C@@H]1CN(C(=O)c2ccon2)CC[N@@H+]1CCO ZINC000188746629 387086862 /nfs/dbraw/zinc/08/68/62/387086862.db2.gz MYFKQMQNAKFUGP-SECBINFHSA-N 1 2 239.275 -0.187 20 0 BBADLO C[C@H]1CN(C(=O)c2ccon2)CC[N@H+]1CCO ZINC000188746652 387089128 /nfs/dbraw/zinc/08/91/28/387089128.db2.gz MYFKQMQNAKFUGP-VIFPVBQESA-N 1 2 239.275 -0.187 20 0 BBADLO C[C@H]1CN(C(=O)c2ccon2)CC[N@@H+]1CCO ZINC000188746652 387089124 /nfs/dbraw/zinc/08/91/24/387089124.db2.gz MYFKQMQNAKFUGP-VIFPVBQESA-N 1 2 239.275 -0.187 20 0 BBADLO C[C@@H]1CN(C(=O)C2CC(=O)C2)CC[N@H+]1CCO ZINC000188758191 387090326 /nfs/dbraw/zinc/09/03/26/387090326.db2.gz MRSRPXLTGDFJTK-SECBINFHSA-N 1 2 240.303 -0.510 20 0 BBADLO C[C@@H]1CN(C(=O)C2CC(=O)C2)CC[N@@H+]1CCO ZINC000188758191 387090322 /nfs/dbraw/zinc/09/03/22/387090322.db2.gz MRSRPXLTGDFJTK-SECBINFHSA-N 1 2 240.303 -0.510 20 0 BBADLO C[C@H]1CN(C(=O)C2CC(=O)C2)CC[N@H+]1CCO ZINC000188758212 387090427 /nfs/dbraw/zinc/09/04/27/387090427.db2.gz MRSRPXLTGDFJTK-VIFPVBQESA-N 1 2 240.303 -0.510 20 0 BBADLO C[C@H]1CN(C(=O)C2CC(=O)C2)CC[N@@H+]1CCO ZINC000188758212 387090423 /nfs/dbraw/zinc/09/04/23/387090423.db2.gz MRSRPXLTGDFJTK-VIFPVBQESA-N 1 2 240.303 -0.510 20 0 BBADLO CSCC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188767538 387080728 /nfs/dbraw/zinc/08/07/28/387080728.db2.gz COYADMDFSKKRGA-SECBINFHSA-N 1 2 232.349 -0.126 20 0 BBADLO CSCC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188767538 387080725 /nfs/dbraw/zinc/08/07/25/387080725.db2.gz COYADMDFSKKRGA-SECBINFHSA-N 1 2 232.349 -0.126 20 0 BBADLO CSCC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000188767557 387080774 /nfs/dbraw/zinc/08/07/74/387080774.db2.gz COYADMDFSKKRGA-VIFPVBQESA-N 1 2 232.349 -0.126 20 0 BBADLO CSCC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000188767557 387080771 /nfs/dbraw/zinc/08/07/71/387080771.db2.gz COYADMDFSKKRGA-VIFPVBQESA-N 1 2 232.349 -0.126 20 0 BBADLO COC(=O)[C@@H]1[C@H](O)CCCN1Cc1c[nH]c[nH+]1 ZINC000188777349 385089559 /nfs/dbraw/zinc/08/95/59/385089559.db2.gz GCCKYRREVDSBKY-ZJUUUORDSA-N 1 2 239.275 -0.092 20 0 BBADLO COC(=O)[C@@H]1[C@H](O)CCCN1Cc1c[nH+]c[nH]1 ZINC000188777349 385089555 /nfs/dbraw/zinc/08/95/55/385089555.db2.gz GCCKYRREVDSBKY-ZJUUUORDSA-N 1 2 239.275 -0.092 20 0 BBADLO COC(=O)[C@H]1[C@H](O)CCCN1Cc1c[nH]c[nH+]1 ZINC000188777367 385090887 /nfs/dbraw/zinc/09/08/87/385090887.db2.gz GCCKYRREVDSBKY-NXEZZACHSA-N 1 2 239.275 -0.092 20 0 BBADLO COC(=O)[C@H]1[C@H](O)CCCN1Cc1c[nH+]c[nH]1 ZINC000188777367 385090881 /nfs/dbraw/zinc/09/08/81/385090881.db2.gz GCCKYRREVDSBKY-NXEZZACHSA-N 1 2 239.275 -0.092 20 0 BBADLO COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1c[nH]c[nH+]1 ZINC000188777388 385090967 /nfs/dbraw/zinc/09/09/67/385090967.db2.gz GCCKYRREVDSBKY-UWVGGRQHSA-N 1 2 239.275 -0.092 20 0 BBADLO COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1c[nH+]c[nH]1 ZINC000188777388 385090961 /nfs/dbraw/zinc/09/09/61/385090961.db2.gz GCCKYRREVDSBKY-UWVGGRQHSA-N 1 2 239.275 -0.092 20 0 BBADLO COC(=O)[C@H]1[C@@H](O)CCCN1Cc1c[nH]c[nH+]1 ZINC000188777410 385091432 /nfs/dbraw/zinc/09/14/32/385091432.db2.gz GCCKYRREVDSBKY-VHSXEESVSA-N 1 2 239.275 -0.092 20 0 BBADLO COC(=O)[C@H]1[C@@H](O)CCCN1Cc1c[nH+]c[nH]1 ZINC000188777410 385091428 /nfs/dbraw/zinc/09/14/28/385091428.db2.gz GCCKYRREVDSBKY-VHSXEESVSA-N 1 2 239.275 -0.092 20 0 BBADLO C[C@@H]1CN(C(=O)c2cc[nH]n2)CC[N@H+]1CCO ZINC000188787493 387083264 /nfs/dbraw/zinc/08/32/64/387083264.db2.gz ZDZJFGWWUSRGOU-SECBINFHSA-N 1 2 238.291 -0.452 20 0 BBADLO C[C@@H]1CN(C(=O)c2cc[nH]n2)CC[N@@H+]1CCO ZINC000188787493 387083261 /nfs/dbraw/zinc/08/32/61/387083261.db2.gz ZDZJFGWWUSRGOU-SECBINFHSA-N 1 2 238.291 -0.452 20 0 BBADLO C[C@@H]1CN(C(=O)c2ccn[nH]2)CC[N@H+]1CCO ZINC000188787493 387083258 /nfs/dbraw/zinc/08/32/58/387083258.db2.gz ZDZJFGWWUSRGOU-SECBINFHSA-N 1 2 238.291 -0.452 20 0 BBADLO C[C@@H]1CN(C(=O)c2ccn[nH]2)CC[N@@H+]1CCO ZINC000188787493 387083253 /nfs/dbraw/zinc/08/32/53/387083253.db2.gz ZDZJFGWWUSRGOU-SECBINFHSA-N 1 2 238.291 -0.452 20 0 BBADLO C[C@H]1CN(C(=O)c2cc[nH]n2)CC[N@H+]1CCO ZINC000188787514 387083406 /nfs/dbraw/zinc/08/34/06/387083406.db2.gz ZDZJFGWWUSRGOU-VIFPVBQESA-N 1 2 238.291 -0.452 20 0 BBADLO C[C@H]1CN(C(=O)c2cc[nH]n2)CC[N@@H+]1CCO ZINC000188787514 387083402 /nfs/dbraw/zinc/08/34/02/387083402.db2.gz ZDZJFGWWUSRGOU-VIFPVBQESA-N 1 2 238.291 -0.452 20 0 BBADLO C[C@H]1CN(C(=O)c2ccn[nH]2)CC[N@H+]1CCO ZINC000188787514 387083400 /nfs/dbraw/zinc/08/34/00/387083400.db2.gz ZDZJFGWWUSRGOU-VIFPVBQESA-N 1 2 238.291 -0.452 20 0 BBADLO C[C@H]1CN(C(=O)c2ccn[nH]2)CC[N@@H+]1CCO ZINC000188787514 387083397 /nfs/dbraw/zinc/08/33/97/387083397.db2.gz ZDZJFGWWUSRGOU-VIFPVBQESA-N 1 2 238.291 -0.452 20 0 BBADLO NC(=O)[C@@H]1C[N@@H+](CCOCC(F)F)CCO1 ZINC000188960588 357605738 /nfs/dbraw/zinc/60/57/38/357605738.db2.gz VHYVJEXMXVASML-ZETCQYMHSA-N 1 2 238.234 -0.546 20 0 BBADLO NC(=O)[C@@H]1C[N@H+](CCOCC(F)F)CCO1 ZINC000188960588 357605735 /nfs/dbraw/zinc/60/57/35/357605735.db2.gz VHYVJEXMXVASML-ZETCQYMHSA-N 1 2 238.234 -0.546 20 0 BBADLO NC(=O)[C@H]1C[N@@H+](CCOCC(F)F)CCO1 ZINC000188960608 357605751 /nfs/dbraw/zinc/60/57/51/357605751.db2.gz VHYVJEXMXVASML-SSDOTTSWSA-N 1 2 238.234 -0.546 20 0 BBADLO NC(=O)[C@H]1C[N@H+](CCOCC(F)F)CCO1 ZINC000188960608 357605749 /nfs/dbraw/zinc/60/57/49/357605749.db2.gz VHYVJEXMXVASML-SSDOTTSWSA-N 1 2 238.234 -0.546 20 0 BBADLO COC[C@@H]1C[N@@H+](CC(OC)OC)CCO1 ZINC000189045257 357601613 /nfs/dbraw/zinc/60/16/13/357601613.db2.gz VEQDOOLKBHKONN-VIFPVBQESA-N 1 2 219.281 -0.048 20 0 BBADLO COC[C@@H]1C[N@H+](CC(OC)OC)CCO1 ZINC000189045257 357601611 /nfs/dbraw/zinc/60/16/11/357601611.db2.gz VEQDOOLKBHKONN-VIFPVBQESA-N 1 2 219.281 -0.048 20 0 BBADLO COC[C@H]1C[N@@H+](CC(OC)OC)CCO1 ZINC000189045276 357601560 /nfs/dbraw/zinc/60/15/60/357601560.db2.gz VEQDOOLKBHKONN-SECBINFHSA-N 1 2 219.281 -0.048 20 0 BBADLO COC[C@H]1C[N@H+](CC(OC)OC)CCO1 ZINC000189045276 357601557 /nfs/dbraw/zinc/60/15/57/357601557.db2.gz VEQDOOLKBHKONN-SECBINFHSA-N 1 2 219.281 -0.048 20 0 BBADLO CNC(=O)CC[N@@H+](C)[C@@H](C)c1nnnn1C ZINC000189081646 357603137 /nfs/dbraw/zinc/60/31/37/357603137.db2.gz IPNMPDPVWZVAPL-ZETCQYMHSA-N 1 2 226.284 -0.661 20 0 BBADLO CNC(=O)CC[N@H+](C)[C@@H](C)c1nnnn1C ZINC000189081646 357603134 /nfs/dbraw/zinc/60/31/34/357603134.db2.gz IPNMPDPVWZVAPL-ZETCQYMHSA-N 1 2 226.284 -0.661 20 0 BBADLO CNC(=O)CC[N@@H+](C)[C@H](C)c1nnnn1C ZINC000189081664 357602634 /nfs/dbraw/zinc/60/26/34/357602634.db2.gz IPNMPDPVWZVAPL-SSDOTTSWSA-N 1 2 226.284 -0.661 20 0 BBADLO CNC(=O)CC[N@H+](C)[C@H](C)c1nnnn1C ZINC000189081664 357602630 /nfs/dbraw/zinc/60/26/30/357602630.db2.gz IPNMPDPVWZVAPL-SSDOTTSWSA-N 1 2 226.284 -0.661 20 0 BBADLO C[C@@H](O)C[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000189082072 385923929 /nfs/dbraw/zinc/92/39/29/385923929.db2.gz TZINHLKARLMRTB-RKDXNWHRSA-N 1 2 236.337 -0.667 20 0 BBADLO C[C@@H](O)C[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000189082072 385923923 /nfs/dbraw/zinc/92/39/23/385923923.db2.gz TZINHLKARLMRTB-RKDXNWHRSA-N 1 2 236.337 -0.667 20 0 BBADLO C[C@@H](O)C[N@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000189082093 385925695 /nfs/dbraw/zinc/92/56/95/385925695.db2.gz TZINHLKARLMRTB-DTWKUNHWSA-N 1 2 236.337 -0.667 20 0 BBADLO C[C@@H](O)C[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000189082093 385925687 /nfs/dbraw/zinc/92/56/87/385925687.db2.gz TZINHLKARLMRTB-DTWKUNHWSA-N 1 2 236.337 -0.667 20 0 BBADLO COC(C[N@H+]1CCN(C)C(=O)[C@H]1C)OC ZINC000189244929 634172507 /nfs/dbraw/zinc/17/25/07/634172507.db2.gz YWBWWRCTZYAFJX-MRVPVSSYSA-N 1 2 216.281 -0.232 20 0 BBADLO COC(C[N@@H+]1CCN(C)C(=O)[C@H]1C)OC ZINC000189244929 634172504 /nfs/dbraw/zinc/17/25/04/634172504.db2.gz YWBWWRCTZYAFJX-MRVPVSSYSA-N 1 2 216.281 -0.232 20 0 BBADLO COC(C[N@H+]1CCN(C)C(=O)[C@@H]1C)OC ZINC000189244951 641795951 /nfs/dbraw/zinc/79/59/51/641795951.db2.gz YWBWWRCTZYAFJX-QMMMGPOBSA-N 1 2 216.281 -0.232 20 0 BBADLO COC(C[N@@H+]1CCN(C)C(=O)[C@@H]1C)OC ZINC000189244951 641795946 /nfs/dbraw/zinc/79/59/46/641795946.db2.gz YWBWWRCTZYAFJX-QMMMGPOBSA-N 1 2 216.281 -0.232 20 0 BBADLO C[C@@H]1C(=O)NCCC[N@@H+]1CCCS(C)(=O)=O ZINC000189276097 385972827 /nfs/dbraw/zinc/97/28/27/385972827.db2.gz HJTXAPWLHCQREF-SECBINFHSA-N 1 2 248.348 -0.369 20 0 BBADLO C[C@@H]1C(=O)NCCC[N@H+]1CCCS(C)(=O)=O ZINC000189276097 385972821 /nfs/dbraw/zinc/97/28/21/385972821.db2.gz HJTXAPWLHCQREF-SECBINFHSA-N 1 2 248.348 -0.369 20 0 BBADLO C[C@H]1C(=O)NCCC[N@@H+]1CCCS(C)(=O)=O ZINC000189276117 385972119 /nfs/dbraw/zinc/97/21/19/385972119.db2.gz HJTXAPWLHCQREF-VIFPVBQESA-N 1 2 248.348 -0.369 20 0 BBADLO C[C@H]1C(=O)NCCC[N@H+]1CCCS(C)(=O)=O ZINC000189276117 385972116 /nfs/dbraw/zinc/97/21/16/385972116.db2.gz HJTXAPWLHCQREF-VIFPVBQESA-N 1 2 248.348 -0.369 20 0 BBADLO C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)N(C)C ZINC000189281480 176045090 /nfs/dbraw/zinc/04/50/90/176045090.db2.gz QWYZMKKGOWNNRX-MRVPVSSYSA-N 1 2 213.281 -0.715 20 0 BBADLO C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)N(C)C ZINC000189281480 176045089 /nfs/dbraw/zinc/04/50/89/176045089.db2.gz QWYZMKKGOWNNRX-MRVPVSSYSA-N 1 2 213.281 -0.715 20 0 BBADLO C[C@H]1C(=O)NCCC[N@@H+]1CC(=O)N(C)C ZINC000189281504 177058530 /nfs/dbraw/zinc/05/85/30/177058530.db2.gz QWYZMKKGOWNNRX-QMMMGPOBSA-N 1 2 213.281 -0.715 20 0 BBADLO C[C@H]1C(=O)NCCC[N@H+]1CC(=O)N(C)C ZINC000189281504 177058529 /nfs/dbraw/zinc/05/85/29/177058529.db2.gz QWYZMKKGOWNNRX-QMMMGPOBSA-N 1 2 213.281 -0.715 20 0 BBADLO CCCNC(=O)C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000189281814 169221506 /nfs/dbraw/zinc/22/15/06/169221506.db2.gz HCCSXLIZKUHSHH-VIFPVBQESA-N 1 2 227.308 -0.277 20 0 BBADLO CCCNC(=O)C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000189281814 169221504 /nfs/dbraw/zinc/22/15/04/169221504.db2.gz HCCSXLIZKUHSHH-VIFPVBQESA-N 1 2 227.308 -0.277 20 0 BBADLO CC(C)NC(=O)C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000189282895 385141601 /nfs/dbraw/zinc/14/16/01/385141601.db2.gz ZDKDAOGCKIDPKG-VIFPVBQESA-N 1 2 227.308 -0.279 20 0 BBADLO CC(C)NC(=O)C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000189282895 385141598 /nfs/dbraw/zinc/14/15/98/385141598.db2.gz ZDKDAOGCKIDPKG-VIFPVBQESA-N 1 2 227.308 -0.279 20 0 BBADLO C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)NCC1CC1 ZINC000189289730 136270775 /nfs/dbraw/zinc/27/07/75/136270775.db2.gz FUXODWNVVIZQSA-SECBINFHSA-N 1 2 239.319 -0.277 20 0 BBADLO C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)NCC1CC1 ZINC000189289730 136270774 /nfs/dbraw/zinc/27/07/74/136270774.db2.gz FUXODWNVVIZQSA-SECBINFHSA-N 1 2 239.319 -0.277 20 0 BBADLO C[C@H]1C(=O)NCCC[N@@H+]1CC(=O)NCC1CC1 ZINC000189289753 136270715 /nfs/dbraw/zinc/27/07/15/136270715.db2.gz FUXODWNVVIZQSA-VIFPVBQESA-N 1 2 239.319 -0.277 20 0 BBADLO C[C@H]1C(=O)NCCC[N@H+]1CC(=O)NCC1CC1 ZINC000189289753 136270714 /nfs/dbraw/zinc/27/07/14/136270714.db2.gz FUXODWNVVIZQSA-VIFPVBQESA-N 1 2 239.319 -0.277 20 0 BBADLO C[C@H](O)CN1CC[NH+](CCn2cccn2)CC1 ZINC000189295087 388629787 /nfs/dbraw/zinc/62/97/87/388629787.db2.gz JVASIEKBMKPNNL-LBPRGKRZSA-N 1 2 238.335 -0.119 20 0 BBADLO C[C@H]1C(=O)NCCC[N@@H+]1CC(=O)NC1CC1 ZINC000189302725 357630025 /nfs/dbraw/zinc/63/00/25/357630025.db2.gz VKQMVGSDJWGHTO-QMMMGPOBSA-N 1 2 225.292 -0.525 20 0 BBADLO C[C@H]1C(=O)NCCC[N@H+]1CC(=O)NC1CC1 ZINC000189302725 357630022 /nfs/dbraw/zinc/63/00/22/357630022.db2.gz VKQMVGSDJWGHTO-QMMMGPOBSA-N 1 2 225.292 -0.525 20 0 BBADLO C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)N1CCCC1 ZINC000189304398 357631582 /nfs/dbraw/zinc/63/15/82/357631582.db2.gz YNAQJIJUYLHJPP-SNVBAGLBSA-N 1 2 239.319 -0.181 20 0 BBADLO C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)N1CCCC1 ZINC000189304398 357631579 /nfs/dbraw/zinc/63/15/79/357631579.db2.gz YNAQJIJUYLHJPP-SNVBAGLBSA-N 1 2 239.319 -0.181 20 0 BBADLO C[C@H]1C(=O)NCCC[N@@H+]1CC(=O)N1CCCC1 ZINC000189304422 357631270 /nfs/dbraw/zinc/63/12/70/357631270.db2.gz YNAQJIJUYLHJPP-JTQLQIEISA-N 1 2 239.319 -0.181 20 0 BBADLO C[C@H]1C(=O)NCCC[N@H+]1CC(=O)N1CCCC1 ZINC000189304422 357631265 /nfs/dbraw/zinc/63/12/65/357631265.db2.gz YNAQJIJUYLHJPP-JTQLQIEISA-N 1 2 239.319 -0.181 20 0 BBADLO C[C@H]1C(=O)NCCC[N@@H+]1CC(=O)N(C)C1CC1 ZINC000189304493 357631343 /nfs/dbraw/zinc/63/13/43/357631343.db2.gz DYUQRLVSXPPPGJ-VIFPVBQESA-N 1 2 239.319 -0.182 20 0 BBADLO C[C@H]1C(=O)NCCC[N@H+]1CC(=O)N(C)C1CC1 ZINC000189304493 357631338 /nfs/dbraw/zinc/63/13/38/357631338.db2.gz DYUQRLVSXPPPGJ-VIFPVBQESA-N 1 2 239.319 -0.182 20 0 BBADLO C[C@@H](c1nnnn1C)[N@@H+](C)CC(C)(C)O ZINC000189328270 385977891 /nfs/dbraw/zinc/97/78/91/385977891.db2.gz AYZWYZAYAVRKMB-ZETCQYMHSA-N 1 2 213.285 -0.026 20 0 BBADLO C[C@@H](c1nnnn1C)[N@H+](C)CC(C)(C)O ZINC000189328270 385977886 /nfs/dbraw/zinc/97/78/86/385977886.db2.gz AYZWYZAYAVRKMB-ZETCQYMHSA-N 1 2 213.285 -0.026 20 0 BBADLO C[C@H](c1nnnn1C)[N@@H+](C)CC(C)(C)O ZINC000189328288 385978026 /nfs/dbraw/zinc/97/80/26/385978026.db2.gz AYZWYZAYAVRKMB-SSDOTTSWSA-N 1 2 213.285 -0.026 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+](C)CC(C)(C)O ZINC000189328288 385978022 /nfs/dbraw/zinc/97/80/22/385978022.db2.gz AYZWYZAYAVRKMB-SSDOTTSWSA-N 1 2 213.285 -0.026 20 0 BBADLO CCNC(=O)C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000189332788 347301348 /nfs/dbraw/zinc/30/13/48/347301348.db2.gz LWKULEHVSRNALF-QMMMGPOBSA-N 1 2 213.281 -0.667 20 0 BBADLO CCNC(=O)C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000189332788 347301344 /nfs/dbraw/zinc/30/13/44/347301344.db2.gz LWKULEHVSRNALF-QMMMGPOBSA-N 1 2 213.281 -0.667 20 0 BBADLO C[C@@H](O)CN1CC[NH+](CCn2cccn2)CC1 ZINC000189340344 385980603 /nfs/dbraw/zinc/98/06/03/385980603.db2.gz JVASIEKBMKPNNL-GFCCVEGCSA-N 1 2 238.335 -0.119 20 0 BBADLO CC(C)CNC(=O)C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000189344691 357634203 /nfs/dbraw/zinc/63/42/03/357634203.db2.gz KVUWCMORKIRJGP-JTQLQIEISA-N 1 2 241.335 -0.031 20 0 BBADLO CC(C)CNC(=O)C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000189344691 357634199 /nfs/dbraw/zinc/63/41/99/357634199.db2.gz KVUWCMORKIRJGP-JTQLQIEISA-N 1 2 241.335 -0.031 20 0 BBADLO CCCN1CCC[N@H+]([C@@H](C)C(N)=O)CC1=O ZINC000189373812 385991770 /nfs/dbraw/zinc/99/17/70/385991770.db2.gz XZKRTXXCHFGSID-VIFPVBQESA-N 1 2 227.308 -0.196 20 0 BBADLO CCCN1CCC[N@@H+]([C@@H](C)C(N)=O)CC1=O ZINC000189373812 385991764 /nfs/dbraw/zinc/99/17/64/385991764.db2.gz XZKRTXXCHFGSID-VIFPVBQESA-N 1 2 227.308 -0.196 20 0 BBADLO CCCN1CCC[N@H+]([C@H](C)C(N)=O)CC1=O ZINC000189373836 385991229 /nfs/dbraw/zinc/99/12/29/385991229.db2.gz XZKRTXXCHFGSID-SECBINFHSA-N 1 2 227.308 -0.196 20 0 BBADLO CCCN1CCC[N@@H+]([C@H](C)C(N)=O)CC1=O ZINC000189373836 385991224 /nfs/dbraw/zinc/99/12/24/385991224.db2.gz XZKRTXXCHFGSID-SECBINFHSA-N 1 2 227.308 -0.196 20 0 BBADLO CCCN1CCC[N@H+]([C@@H]2CCNC2=O)CC1=O ZINC000189395298 357635914 /nfs/dbraw/zinc/63/59/14/357635914.db2.gz YKKVHYOWYZFPFQ-SNVBAGLBSA-N 1 2 239.319 -0.181 20 0 BBADLO CCCN1CCC[N@@H+]([C@@H]2CCNC2=O)CC1=O ZINC000189395298 357635907 /nfs/dbraw/zinc/63/59/07/357635907.db2.gz YKKVHYOWYZFPFQ-SNVBAGLBSA-N 1 2 239.319 -0.181 20 0 BBADLO CCCN1CCC[N@H+]([C@H]2CCNC2=O)CC1=O ZINC000189395326 357635674 /nfs/dbraw/zinc/63/56/74/357635674.db2.gz YKKVHYOWYZFPFQ-JTQLQIEISA-N 1 2 239.319 -0.181 20 0 BBADLO CCCN1CCC[N@@H+]([C@H]2CCNC2=O)CC1=O ZINC000189395326 357635669 /nfs/dbraw/zinc/63/56/69/357635669.db2.gz YKKVHYOWYZFPFQ-JTQLQIEISA-N 1 2 239.319 -0.181 20 0 BBADLO CCCN1CCC[N@@H+](CC(=O)NC)CC1=O ZINC000189414524 357640501 /nfs/dbraw/zinc/64/05/01/357640501.db2.gz OAHXNFFQJQEMCE-UHFFFAOYSA-N 1 2 227.308 -0.323 20 0 BBADLO CCCN1CCC[N@H+](CC(=O)NC)CC1=O ZINC000189414524 357640498 /nfs/dbraw/zinc/64/04/98/357640498.db2.gz OAHXNFFQJQEMCE-UHFFFAOYSA-N 1 2 227.308 -0.323 20 0 BBADLO C[C@H](O)CC[N@@H+](C)[C@@H](C)c1nnnn1C ZINC000189421687 387286066 /nfs/dbraw/zinc/28/60/66/387286066.db2.gz FDRRPDKFVJIJDU-YUMQZZPRSA-N 1 2 213.285 -0.026 20 0 BBADLO C[C@H](O)CC[N@H+](C)[C@@H](C)c1nnnn1C ZINC000189421687 387286059 /nfs/dbraw/zinc/28/60/59/387286059.db2.gz FDRRPDKFVJIJDU-YUMQZZPRSA-N 1 2 213.285 -0.026 20 0 BBADLO C[C@@H](O)CC[N@@H+](C)[C@@H](C)c1nnnn1C ZINC000189421707 176040850 /nfs/dbraw/zinc/04/08/50/176040850.db2.gz FDRRPDKFVJIJDU-SFYZADRCSA-N 1 2 213.285 -0.026 20 0 BBADLO C[C@@H](O)CC[N@H+](C)[C@@H](C)c1nnnn1C ZINC000189421707 176040848 /nfs/dbraw/zinc/04/08/48/176040848.db2.gz FDRRPDKFVJIJDU-SFYZADRCSA-N 1 2 213.285 -0.026 20 0 BBADLO CCCN1CCC[N@@H+](CC(N)=O)CC1=O ZINC000189422183 357640361 /nfs/dbraw/zinc/64/03/61/357640361.db2.gz RQTGPIDORZVUQM-UHFFFAOYSA-N 1 2 213.281 -0.584 20 0 BBADLO CCCN1CCC[N@H+](CC(N)=O)CC1=O ZINC000189422183 357640359 /nfs/dbraw/zinc/64/03/59/357640359.db2.gz RQTGPIDORZVUQM-UHFFFAOYSA-N 1 2 213.281 -0.584 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000189433164 357642064 /nfs/dbraw/zinc/64/20/64/357642064.db2.gz MAWNZWSFHFERBL-LPEHRKFASA-N 1 2 230.308 -0.014 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000189433164 357642058 /nfs/dbraw/zinc/64/20/58/357642058.db2.gz MAWNZWSFHFERBL-LPEHRKFASA-N 1 2 230.308 -0.014 20 0 BBADLO CNC(=O)C[N@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000189442841 386000622 /nfs/dbraw/zinc/00/06/22/386000622.db2.gz ZDFOIWAWGFHHOP-RKDXNWHRSA-N 1 2 216.281 -0.532 20 0 BBADLO CNC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000189442841 386000616 /nfs/dbraw/zinc/00/06/16/386000616.db2.gz ZDFOIWAWGFHHOP-RKDXNWHRSA-N 1 2 216.281 -0.532 20 0 BBADLO CNC(=O)C[N@@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000189442860 385999613 /nfs/dbraw/zinc/99/96/13/385999613.db2.gz ZDFOIWAWGFHHOP-DTWKUNHWSA-N 1 2 216.281 -0.532 20 0 BBADLO CNC(=O)C[N@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000189442860 385999605 /nfs/dbraw/zinc/99/96/05/385999605.db2.gz ZDFOIWAWGFHHOP-DTWKUNHWSA-N 1 2 216.281 -0.532 20 0 BBADLO O=C(NCC[N@H+]1CCCOCC1)c1cnn[nH]1 ZINC000189455506 182186977 /nfs/dbraw/zinc/18/69/77/182186977.db2.gz WKTDGSAOPLTTED-UHFFFAOYSA-N 1 2 239.279 -0.743 20 0 BBADLO O=C(NCC[N@@H+]1CCCOCC1)c1cnn[nH]1 ZINC000189455506 182186975 /nfs/dbraw/zinc/18/69/75/182186975.db2.gz WKTDGSAOPLTTED-UHFFFAOYSA-N 1 2 239.279 -0.743 20 0 BBADLO O=C(NCC[N@H+]1CCCOCC1)c1cn[nH]n1 ZINC000189455506 182186973 /nfs/dbraw/zinc/18/69/73/182186973.db2.gz WKTDGSAOPLTTED-UHFFFAOYSA-N 1 2 239.279 -0.743 20 0 BBADLO O=C(NCC[N@@H+]1CCCOCC1)c1cn[nH]n1 ZINC000189455506 182186972 /nfs/dbraw/zinc/18/69/72/182186972.db2.gz WKTDGSAOPLTTED-UHFFFAOYSA-N 1 2 239.279 -0.743 20 0 BBADLO CC[N@H+](CC(N)=O)C[C@H](O)C(F)(F)F ZINC000189464747 357636922 /nfs/dbraw/zinc/63/69/22/357636922.db2.gz HGTBBZCCFUQULU-YFKPBYRVSA-N 1 2 214.187 -0.283 20 0 BBADLO CC[N@@H+](CC(N)=O)C[C@H](O)C(F)(F)F ZINC000189464747 357636916 /nfs/dbraw/zinc/63/69/16/357636916.db2.gz HGTBBZCCFUQULU-YFKPBYRVSA-N 1 2 214.187 -0.283 20 0 BBADLO CC[N@H+](CC(N)=O)C[C@@H](O)C(F)(F)F ZINC000189464768 347302732 /nfs/dbraw/zinc/30/27/32/347302732.db2.gz HGTBBZCCFUQULU-RXMQYKEDSA-N 1 2 214.187 -0.283 20 0 BBADLO CC[N@@H+](CC(N)=O)C[C@@H](O)C(F)(F)F ZINC000189464768 347302730 /nfs/dbraw/zinc/30/27/30/347302730.db2.gz HGTBBZCCFUQULU-RXMQYKEDSA-N 1 2 214.187 -0.283 20 0 BBADLO COC[C@H]1C[N@@H+](CC(N)=O)C[C@@H](C)O1 ZINC000189465520 386011237 /nfs/dbraw/zinc/01/12/37/386011237.db2.gz HWJLHEVBWRVYNA-HTQZYQBOSA-N 1 2 202.254 -0.793 20 0 BBADLO COC[C@H]1C[N@H+](CC(N)=O)C[C@@H](C)O1 ZINC000189465520 386011228 /nfs/dbraw/zinc/01/12/28/386011228.db2.gz HWJLHEVBWRVYNA-HTQZYQBOSA-N 1 2 202.254 -0.793 20 0 BBADLO COC[C@H]1C[N@@H+](CC(N)=O)C[C@H](C)O1 ZINC000189465539 386011749 /nfs/dbraw/zinc/01/17/49/386011749.db2.gz HWJLHEVBWRVYNA-JGVFFNPUSA-N 1 2 202.254 -0.793 20 0 BBADLO COC[C@H]1C[N@H+](CC(N)=O)C[C@H](C)O1 ZINC000189465539 386011745 /nfs/dbraw/zinc/01/17/45/386011745.db2.gz HWJLHEVBWRVYNA-JGVFFNPUSA-N 1 2 202.254 -0.793 20 0 BBADLO CCNC(=O)C[N@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000189480154 357637474 /nfs/dbraw/zinc/63/74/74/357637474.db2.gz UZIUNRZQTBWBBY-UWVGGRQHSA-N 1 2 230.308 -0.142 20 0 BBADLO CCNC(=O)C[N@@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000189480154 357637472 /nfs/dbraw/zinc/63/74/72/357637472.db2.gz UZIUNRZQTBWBBY-UWVGGRQHSA-N 1 2 230.308 -0.142 20 0 BBADLO CCNC(=O)C[N@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000189480177 357637312 /nfs/dbraw/zinc/63/73/12/357637312.db2.gz UZIUNRZQTBWBBY-ZJUUUORDSA-N 1 2 230.308 -0.142 20 0 BBADLO CCNC(=O)C[N@@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000189480177 357637306 /nfs/dbraw/zinc/63/73/06/357637306.db2.gz UZIUNRZQTBWBBY-ZJUUUORDSA-N 1 2 230.308 -0.142 20 0 BBADLO COC[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H](C)O1 ZINC000189481851 357637293 /nfs/dbraw/zinc/63/72/93/357637293.db2.gz ZTJZTVSVMAQCOT-NXEZZACHSA-N 1 2 230.308 -0.190 20 0 BBADLO COC[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H](C)O1 ZINC000189481851 357637287 /nfs/dbraw/zinc/63/72/87/357637287.db2.gz ZTJZTVSVMAQCOT-NXEZZACHSA-N 1 2 230.308 -0.190 20 0 BBADLO COC[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@H](C)O1 ZINC000189481871 357637170 /nfs/dbraw/zinc/63/71/70/357637170.db2.gz ZTJZTVSVMAQCOT-VHSXEESVSA-N 1 2 230.308 -0.190 20 0 BBADLO COC[C@H]1C[N@H+](CC(=O)N(C)C)C[C@H](C)O1 ZINC000189481871 357637164 /nfs/dbraw/zinc/63/71/64/357637164.db2.gz ZTJZTVSVMAQCOT-VHSXEESVSA-N 1 2 230.308 -0.190 20 0 BBADLO CNC(=O)[C@@H](C)C[N@@H+](C)[C@@H](C)c1nnnn1C ZINC000189501165 357643480 /nfs/dbraw/zinc/64/34/80/357643480.db2.gz NLHOYWFGDBHUQD-YUMQZZPRSA-N 1 2 240.311 -0.415 20 0 BBADLO CNC(=O)[C@@H](C)C[N@H+](C)[C@@H](C)c1nnnn1C ZINC000189501165 357643477 /nfs/dbraw/zinc/64/34/77/357643477.db2.gz NLHOYWFGDBHUQD-YUMQZZPRSA-N 1 2 240.311 -0.415 20 0 BBADLO CNC(=O)[C@H](C)C[N@@H+](C)[C@@H](C)c1nnnn1C ZINC000189501181 357643441 /nfs/dbraw/zinc/64/34/41/357643441.db2.gz NLHOYWFGDBHUQD-SFYZADRCSA-N 1 2 240.311 -0.415 20 0 BBADLO CNC(=O)[C@H](C)C[N@H+](C)[C@@H](C)c1nnnn1C ZINC000189501181 357643437 /nfs/dbraw/zinc/64/34/37/357643437.db2.gz NLHOYWFGDBHUQD-SFYZADRCSA-N 1 2 240.311 -0.415 20 0 BBADLO O=C1NC[C@H]2C[N@@H+](CCOCC(F)F)CCN12 ZINC000189523947 357643499 /nfs/dbraw/zinc/64/34/99/357643499.db2.gz BJPKJEFMCGLWOU-QMMMGPOBSA-N 1 2 249.261 -0.023 20 0 BBADLO O=C1NC[C@H]2C[N@H+](CCOCC(F)F)CCN12 ZINC000189523947 357643496 /nfs/dbraw/zinc/64/34/96/357643496.db2.gz BJPKJEFMCGLWOU-QMMMGPOBSA-N 1 2 249.261 -0.023 20 0 BBADLO O=C1NC[C@@H]2C[N@@H+](CCOCC(F)F)CCN12 ZINC000189523964 357643309 /nfs/dbraw/zinc/64/33/09/357643309.db2.gz BJPKJEFMCGLWOU-MRVPVSSYSA-N 1 2 249.261 -0.023 20 0 BBADLO O=C1NC[C@@H]2C[N@H+](CCOCC(F)F)CCN12 ZINC000189523964 357643306 /nfs/dbraw/zinc/64/33/06/357643306.db2.gz BJPKJEFMCGLWOU-MRVPVSSYSA-N 1 2 249.261 -0.023 20 0 BBADLO COCC[N@H+]1CCC[C@H](O)[C@@H]1C(=O)OC ZINC000189563544 136372148 /nfs/dbraw/zinc/37/21/48/136372148.db2.gz ULJHLCJCWRDEPB-DTWKUNHWSA-N 1 2 217.265 -0.369 20 0 BBADLO COCC[N@@H+]1CCC[C@H](O)[C@@H]1C(=O)OC ZINC000189563544 136372147 /nfs/dbraw/zinc/37/21/47/136372147.db2.gz ULJHLCJCWRDEPB-DTWKUNHWSA-N 1 2 217.265 -0.369 20 0 BBADLO COCC[N@H+]1CCC[C@@H](O)[C@@H]1C(=O)OC ZINC000189563563 136372258 /nfs/dbraw/zinc/37/22/58/136372258.db2.gz ULJHLCJCWRDEPB-RKDXNWHRSA-N 1 2 217.265 -0.369 20 0 BBADLO COCC[N@@H+]1CCC[C@@H](O)[C@@H]1C(=O)OC ZINC000189563563 136372257 /nfs/dbraw/zinc/37/22/57/136372257.db2.gz ULJHLCJCWRDEPB-RKDXNWHRSA-N 1 2 217.265 -0.369 20 0 BBADLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCC(C)=O ZINC000189565578 136372194 /nfs/dbraw/zinc/37/21/94/136372194.db2.gz MGOYFFWDKSDJJJ-VHSXEESVSA-N 1 2 229.276 -0.036 20 0 BBADLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCC(C)=O ZINC000189565578 136372193 /nfs/dbraw/zinc/37/21/93/136372193.db2.gz MGOYFFWDKSDJJJ-VHSXEESVSA-N 1 2 229.276 -0.036 20 0 BBADLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CCC(C)=O ZINC000189565599 136372175 /nfs/dbraw/zinc/37/21/75/136372175.db2.gz MGOYFFWDKSDJJJ-NXEZZACHSA-N 1 2 229.276 -0.036 20 0 BBADLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CCC(C)=O ZINC000189565599 136372174 /nfs/dbraw/zinc/37/21/74/136372174.db2.gz MGOYFFWDKSDJJJ-NXEZZACHSA-N 1 2 229.276 -0.036 20 0 BBADLO C[C@@H](c1nnnn1C)[N@@H+](C)CC(C)(CO)CO ZINC000189580078 398057673 /nfs/dbraw/zinc/05/76/73/398057673.db2.gz XOMWBRFWICIHSN-QMMMGPOBSA-N 1 2 243.311 -0.806 20 0 BBADLO C[C@@H](c1nnnn1C)[N@H+](C)CC(C)(CO)CO ZINC000189580078 398057669 /nfs/dbraw/zinc/05/76/69/398057669.db2.gz XOMWBRFWICIHSN-QMMMGPOBSA-N 1 2 243.311 -0.806 20 0 BBADLO C[C@H](c1nnnn1C)[N@@H+](C)CC(C)(CO)CO ZINC000189580093 398058350 /nfs/dbraw/zinc/05/83/50/398058350.db2.gz XOMWBRFWICIHSN-MRVPVSSYSA-N 1 2 243.311 -0.806 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+](C)CC(C)(CO)CO ZINC000189580093 398058345 /nfs/dbraw/zinc/05/83/45/398058345.db2.gz XOMWBRFWICIHSN-MRVPVSSYSA-N 1 2 243.311 -0.806 20 0 BBADLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CCCO ZINC000189597065 357644848 /nfs/dbraw/zinc/64/48/48/357644848.db2.gz OKKMRBRKIHVWCD-BDAKNGLRSA-N 1 2 217.265 -0.633 20 0 BBADLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CCCO ZINC000189597065 357644845 /nfs/dbraw/zinc/64/48/45/357644845.db2.gz OKKMRBRKIHVWCD-BDAKNGLRSA-N 1 2 217.265 -0.633 20 0 BBADLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CCCO ZINC000189597090 357644723 /nfs/dbraw/zinc/64/47/23/357644723.db2.gz OKKMRBRKIHVWCD-RKDXNWHRSA-N 1 2 217.265 -0.633 20 0 BBADLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CCCO ZINC000189597090 357644721 /nfs/dbraw/zinc/64/47/21/357644721.db2.gz OKKMRBRKIHVWCD-RKDXNWHRSA-N 1 2 217.265 -0.633 20 0 BBADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCCO ZINC000189597107 357644775 /nfs/dbraw/zinc/64/47/75/357644775.db2.gz OKKMRBRKIHVWCD-IUCAKERBSA-N 1 2 217.265 -0.633 20 0 BBADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCCO ZINC000189597107 357644774 /nfs/dbraw/zinc/64/47/74/357644774.db2.gz OKKMRBRKIHVWCD-IUCAKERBSA-N 1 2 217.265 -0.633 20 0 BBADLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCCO ZINC000189597129 357644797 /nfs/dbraw/zinc/64/47/97/357644797.db2.gz OKKMRBRKIHVWCD-DTWKUNHWSA-N 1 2 217.265 -0.633 20 0 BBADLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCCO ZINC000189597129 357644795 /nfs/dbraw/zinc/64/47/95/357644795.db2.gz OKKMRBRKIHVWCD-DTWKUNHWSA-N 1 2 217.265 -0.633 20 0 BBADLO COCCO[C@@H]1CC[N@@H+](CC(=O)OC)C1 ZINC000189665553 386056579 /nfs/dbraw/zinc/05/65/79/386056579.db2.gz LCLJBAVVTCJIKD-SECBINFHSA-N 1 2 217.265 -0.103 20 0 BBADLO COCCO[C@@H]1CC[N@H+](CC(=O)OC)C1 ZINC000189665553 386056572 /nfs/dbraw/zinc/05/65/72/386056572.db2.gz LCLJBAVVTCJIKD-SECBINFHSA-N 1 2 217.265 -0.103 20 0 BBADLO COCCO[C@H]1CC[N@@H+](CC(=O)OC)C1 ZINC000189665572 385175500 /nfs/dbraw/zinc/17/55/00/385175500.db2.gz LCLJBAVVTCJIKD-VIFPVBQESA-N 1 2 217.265 -0.103 20 0 BBADLO COCCO[C@H]1CC[N@H+](CC(=O)OC)C1 ZINC000189665572 385175496 /nfs/dbraw/zinc/17/54/96/385175496.db2.gz LCLJBAVVTCJIKD-VIFPVBQESA-N 1 2 217.265 -0.103 20 0 BBADLO NC(=O)C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189670765 357656929 /nfs/dbraw/zinc/65/69/29/357656929.db2.gz PQCBZRBNGPKCIX-UHFFFAOYSA-N 1 2 249.318 -0.106 20 0 BBADLO C[C@H](O)C[NH+]1CCN(C(=O)C2CC(=O)C2)CC1 ZINC000189681529 386059141 /nfs/dbraw/zinc/05/91/41/386059141.db2.gz OGKLJDFQFXXUOZ-VIFPVBQESA-N 1 2 240.303 -0.510 20 0 BBADLO C[C@H](O)C[NH+]1CCN(C(=O)c2ccon2)CC1 ZINC000189697891 385175898 /nfs/dbraw/zinc/17/58/98/385175898.db2.gz MEYHKDGQFNPQHC-VIFPVBQESA-N 1 2 239.275 -0.187 20 0 BBADLO C[C@H](O)C[NH+]1CCN(C(=O)c2cc[nH]n2)CC1 ZINC000189742425 385180247 /nfs/dbraw/zinc/18/02/47/385180247.db2.gz ILAFENZXHHHBOR-VIFPVBQESA-N 1 2 238.291 -0.452 20 0 BBADLO C[C@H](O)C[NH+]1CCN(C(=O)c2ccn[nH]2)CC1 ZINC000189742425 385180244 /nfs/dbraw/zinc/18/02/44/385180244.db2.gz ILAFENZXHHHBOR-VIFPVBQESA-N 1 2 238.291 -0.452 20 0 BBADLO CNC(=O)CCC[N@@H+](C)[C@@H](C)c1nnnn1C ZINC000189749138 347309676 /nfs/dbraw/zinc/30/96/76/347309676.db2.gz UTAAWJMCCGYGCW-QMMMGPOBSA-N 1 2 240.311 -0.271 20 0 BBADLO CNC(=O)CCC[N@H+](C)[C@@H](C)c1nnnn1C ZINC000189749138 347309675 /nfs/dbraw/zinc/30/96/75/347309675.db2.gz UTAAWJMCCGYGCW-QMMMGPOBSA-N 1 2 240.311 -0.271 20 0 BBADLO CNC(=O)CCC[N@@H+](C)[C@H](C)c1nnnn1C ZINC000189749161 357667678 /nfs/dbraw/zinc/66/76/78/357667678.db2.gz UTAAWJMCCGYGCW-MRVPVSSYSA-N 1 2 240.311 -0.271 20 0 BBADLO CNC(=O)CCC[N@H+](C)[C@H](C)c1nnnn1C ZINC000189749161 357667672 /nfs/dbraw/zinc/66/76/72/357667672.db2.gz UTAAWJMCCGYGCW-MRVPVSSYSA-N 1 2 240.311 -0.271 20 0 BBADLO Cc1cncc(C[NH+]2CCN(CC(N)=O)CC2)c1 ZINC000189764101 385182652 /nfs/dbraw/zinc/18/26/52/385182652.db2.gz VWIDFNPZRWTXKW-UHFFFAOYSA-N 1 2 248.330 -0.007 20 0 BBADLO CCN1CN(c2[nH+]cnc3c2cnn3C)CC1=O ZINC000189774920 357661143 /nfs/dbraw/zinc/66/11/43/357661143.db2.gz SFMGZCUCHKKNAN-UHFFFAOYSA-N 1 2 246.274 -0.011 20 0 BBADLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1CC(=O)N(C)C ZINC000189792314 386088287 /nfs/dbraw/zinc/08/82/87/386088287.db2.gz OVSSFLPACUBUDO-SNVBAGLBSA-N 1 2 241.335 -0.079 20 0 BBADLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1CC(=O)N(C)C ZINC000189792314 386088282 /nfs/dbraw/zinc/08/82/82/386088282.db2.gz OVSSFLPACUBUDO-SNVBAGLBSA-N 1 2 241.335 -0.079 20 0 BBADLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1CC(=O)N(C)C ZINC000189792331 386087290 /nfs/dbraw/zinc/08/72/90/386087290.db2.gz OVSSFLPACUBUDO-JTQLQIEISA-N 1 2 241.335 -0.079 20 0 BBADLO CC(C)C[C@H]1C(=O)NCC[N@H+]1CC(=O)N(C)C ZINC000189792331 386087281 /nfs/dbraw/zinc/08/72/81/386087281.db2.gz OVSSFLPACUBUDO-JTQLQIEISA-N 1 2 241.335 -0.079 20 0 BBADLO CNC(=O)C[N@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000189799870 386091884 /nfs/dbraw/zinc/09/18/84/386091884.db2.gz VENXIODVCOSTAT-SECBINFHSA-N 1 2 227.308 -0.421 20 0 BBADLO CNC(=O)C[N@@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000189799870 386091876 /nfs/dbraw/zinc/09/18/76/386091876.db2.gz VENXIODVCOSTAT-SECBINFHSA-N 1 2 227.308 -0.421 20 0 BBADLO CNC(=O)C[N@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000189799888 386090060 /nfs/dbraw/zinc/09/00/60/386090060.db2.gz VENXIODVCOSTAT-VIFPVBQESA-N 1 2 227.308 -0.421 20 0 BBADLO CNC(=O)C[N@@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000189799888 386090054 /nfs/dbraw/zinc/09/00/54/386090054.db2.gz VENXIODVCOSTAT-VIFPVBQESA-N 1 2 227.308 -0.421 20 0 BBADLO NC(=O)[C@H]1COCC[N@H+]1CC[C@H]1CCCO1 ZINC000189805628 357672459 /nfs/dbraw/zinc/67/24/59/357672459.db2.gz WQWQMBSZLKIMFQ-NXEZZACHSA-N 1 2 228.292 -0.258 20 0 BBADLO NC(=O)[C@H]1COCC[N@@H+]1CC[C@H]1CCCO1 ZINC000189805628 357672454 /nfs/dbraw/zinc/67/24/54/357672454.db2.gz WQWQMBSZLKIMFQ-NXEZZACHSA-N 1 2 228.292 -0.258 20 0 BBADLO NC(=O)[C@H]1COCC[N@H+]1CC[C@@H]1CCCO1 ZINC000189805643 357672210 /nfs/dbraw/zinc/67/22/10/357672210.db2.gz WQWQMBSZLKIMFQ-VHSXEESVSA-N 1 2 228.292 -0.258 20 0 BBADLO NC(=O)[C@H]1COCC[N@@H+]1CC[C@@H]1CCCO1 ZINC000189805643 357672208 /nfs/dbraw/zinc/67/22/08/357672208.db2.gz WQWQMBSZLKIMFQ-VHSXEESVSA-N 1 2 228.292 -0.258 20 0 BBADLO CCNC(=O)C[N@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000189813913 357673112 /nfs/dbraw/zinc/67/31/12/357673112.db2.gz NMLYPXIGIBMEJY-JTQLQIEISA-N 1 2 241.335 -0.031 20 0 BBADLO CCNC(=O)C[N@@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000189813913 357673111 /nfs/dbraw/zinc/67/31/11/357673111.db2.gz NMLYPXIGIBMEJY-JTQLQIEISA-N 1 2 241.335 -0.031 20 0 BBADLO CCNC(=O)C[N@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000189813933 357673262 /nfs/dbraw/zinc/67/32/62/357673262.db2.gz NMLYPXIGIBMEJY-SNVBAGLBSA-N 1 2 241.335 -0.031 20 0 BBADLO CCNC(=O)C[N@@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000189813933 357673257 /nfs/dbraw/zinc/67/32/57/357673257.db2.gz NMLYPXIGIBMEJY-SNVBAGLBSA-N 1 2 241.335 -0.031 20 0 BBADLO COCCC[N@@H+](CCO)Cc1nccc(N)n1 ZINC000189869093 174223391 /nfs/dbraw/zinc/22/33/91/174223391.db2.gz GRVZFURFBDEXTL-UHFFFAOYSA-N 1 2 240.307 -0.110 20 0 BBADLO COCCC[N@H+](CCO)Cc1nccc(N)n1 ZINC000189869093 174223390 /nfs/dbraw/zinc/22/33/90/174223390.db2.gz GRVZFURFBDEXTL-UHFFFAOYSA-N 1 2 240.307 -0.110 20 0 BBADLO CCOC(=O)C[N@@H+](CCO)CCCOC ZINC000189873822 353694005 /nfs/dbraw/zinc/69/40/05/353694005.db2.gz VJFMOXMSWANVNP-UHFFFAOYSA-N 1 2 219.281 -0.120 20 0 BBADLO CCOC(=O)C[N@H+](CCO)CCCOC ZINC000189873822 353694003 /nfs/dbraw/zinc/69/40/03/353694003.db2.gz VJFMOXMSWANVNP-UHFFFAOYSA-N 1 2 219.281 -0.120 20 0 BBADLO COCCC[N@@H+](CCO)Cc1nnc(C)n1C ZINC000189882920 386115358 /nfs/dbraw/zinc/11/53/58/386115358.db2.gz UTHUHNOUZUKMFR-UHFFFAOYSA-N 1 2 242.323 -0.046 20 0 BBADLO COCCC[N@H+](CCO)Cc1nnc(C)n1C ZINC000189882920 386115356 /nfs/dbraw/zinc/11/53/56/386115356.db2.gz UTHUHNOUZUKMFR-UHFFFAOYSA-N 1 2 242.323 -0.046 20 0 BBADLO COCCC[N@@H+](CCO)CC(=O)OC ZINC000189889048 386113540 /nfs/dbraw/zinc/11/35/40/386113540.db2.gz PKGSHFPYIJYCJJ-UHFFFAOYSA-N 1 2 205.254 -0.510 20 0 BBADLO COCCC[N@H+](CCO)CC(=O)OC ZINC000189889048 386113536 /nfs/dbraw/zinc/11/35/36/386113536.db2.gz PKGSHFPYIJYCJJ-UHFFFAOYSA-N 1 2 205.254 -0.510 20 0 BBADLO COCCC[N@@H+](CCO)Cc1ncnn1C ZINC000189889391 386115337 /nfs/dbraw/zinc/11/53/37/386115337.db2.gz MOQRQDCZLAQYQV-UHFFFAOYSA-N 1 2 228.296 -0.354 20 0 BBADLO COCCC[N@H+](CCO)Cc1ncnn1C ZINC000189889391 386115332 /nfs/dbraw/zinc/11/53/32/386115332.db2.gz MOQRQDCZLAQYQV-UHFFFAOYSA-N 1 2 228.296 -0.354 20 0 BBADLO C[N@@H+](Cc1nc(N)nc(N)n1)CC1(CO)CC1 ZINC000190039290 386143010 /nfs/dbraw/zinc/14/30/10/386143010.db2.gz KGSBOOKOYQLPQS-UHFFFAOYSA-N 1 2 238.295 -0.760 20 0 BBADLO C[N@H+](Cc1nc(N)nc(N)n1)CC1(CO)CC1 ZINC000190039290 386143004 /nfs/dbraw/zinc/14/30/04/386143004.db2.gz KGSBOOKOYQLPQS-UHFFFAOYSA-N 1 2 238.295 -0.760 20 0 BBADLO C[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@H](CO)O1 ZINC000190136816 386158031 /nfs/dbraw/zinc/15/80/31/386158031.db2.gz TUIFIMRWLWFXBP-RKDXNWHRSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@H](CO)O1 ZINC000190136833 386158325 /nfs/dbraw/zinc/15/83/25/386158325.db2.gz TUIFIMRWLWFXBP-DTWKUNHWSA-N 1 2 211.265 -0.009 20 0 BBADLO CCN1CCC[N@H+]([C@@H](C)C(N)=O)CC1=O ZINC000190162692 356436132 /nfs/dbraw/zinc/43/61/32/356436132.db2.gz IAEDZNXXFBFSPR-QMMMGPOBSA-N 1 2 213.281 -0.586 20 0 BBADLO CCN1CCC[N@@H+]([C@@H](C)C(N)=O)CC1=O ZINC000190162692 356436127 /nfs/dbraw/zinc/43/61/27/356436127.db2.gz IAEDZNXXFBFSPR-QMMMGPOBSA-N 1 2 213.281 -0.586 20 0 BBADLO CCN1CCC[N@H+]([C@H](C)C(N)=O)CC1=O ZINC000190162714 356435509 /nfs/dbraw/zinc/43/55/09/356435509.db2.gz IAEDZNXXFBFSPR-MRVPVSSYSA-N 1 2 213.281 -0.586 20 0 BBADLO CCN1CCC[N@@H+]([C@H](C)C(N)=O)CC1=O ZINC000190162714 356435505 /nfs/dbraw/zinc/43/55/05/356435505.db2.gz IAEDZNXXFBFSPR-MRVPVSSYSA-N 1 2 213.281 -0.586 20 0 BBADLO CCC(=O)CCN1CC[NH+](CCO)CC1 ZINC000190178874 641848551 /nfs/dbraw/zinc/84/85/51/641848551.db2.gz VNYZQWZBGWZWQE-UHFFFAOYSA-N 1 2 214.309 -0.035 20 0 BBADLO CCN1CCC[N@@H+](CC(=O)N(C)C)CC1=O ZINC000190181560 357690710 /nfs/dbraw/zinc/69/07/10/357690710.db2.gz AMDJITBUSLKTGN-UHFFFAOYSA-N 1 2 227.308 -0.371 20 0 BBADLO CCN1CCC[N@H+](CC(=O)N(C)C)CC1=O ZINC000190181560 357690707 /nfs/dbraw/zinc/69/07/07/357690707.db2.gz AMDJITBUSLKTGN-UHFFFAOYSA-N 1 2 227.308 -0.371 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+]1CCCN(CC)C(=O)C1 ZINC000190196868 357690597 /nfs/dbraw/zinc/69/05/97/357690597.db2.gz UGRISZBXJBVVGL-VIFPVBQESA-N 1 2 227.308 -0.196 20 0 BBADLO CC[C@@H](C(N)=O)[N@@H+]1CCCN(CC)C(=O)C1 ZINC000190196868 357690595 /nfs/dbraw/zinc/69/05/95/357690595.db2.gz UGRISZBXJBVVGL-VIFPVBQESA-N 1 2 227.308 -0.196 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1CCCN(CC)C(=O)C1 ZINC000190196883 357690630 /nfs/dbraw/zinc/69/06/30/357690630.db2.gz UGRISZBXJBVVGL-SECBINFHSA-N 1 2 227.308 -0.196 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1CCCN(CC)C(=O)C1 ZINC000190196883 357690627 /nfs/dbraw/zinc/69/06/27/357690627.db2.gz UGRISZBXJBVVGL-SECBINFHSA-N 1 2 227.308 -0.196 20 0 BBADLO CCNC(=O)C[N@H+]1CCCN(CC)C(=O)C1 ZINC000190201992 357693115 /nfs/dbraw/zinc/69/31/15/357693115.db2.gz XQWSQOLVUIEMOA-UHFFFAOYSA-N 1 2 227.308 -0.323 20 0 BBADLO CCNC(=O)C[N@@H+]1CCCN(CC)C(=O)C1 ZINC000190201992 357693113 /nfs/dbraw/zinc/69/31/13/357693113.db2.gz XQWSQOLVUIEMOA-UHFFFAOYSA-N 1 2 227.308 -0.323 20 0 BBADLO CCC(=O)CC[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000190203963 357692928 /nfs/dbraw/zinc/69/29/28/357692928.db2.gz KOTNQDRPCCZUKP-VIFPVBQESA-N 1 2 214.265 -0.458 20 0 BBADLO 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CCN1CCC[N@@H+]([C@@H]2CCN(C)C2=O)CC1=O ZINC000190222496 357695914 /nfs/dbraw/zinc/69/59/14/357695914.db2.gz QCEKOENEAHZACL-SNVBAGLBSA-N 1 2 239.319 -0.229 20 0 BBADLO CCN1CCC[N@H+]([C@H]2CCN(C)C2=O)CC1=O ZINC000190222515 357696160 /nfs/dbraw/zinc/69/61/60/357696160.db2.gz QCEKOENEAHZACL-JTQLQIEISA-N 1 2 239.319 -0.229 20 0 BBADLO CCN1CCC[N@@H+]([C@H]2CCN(C)C2=O)CC1=O ZINC000190222515 357696158 /nfs/dbraw/zinc/69/61/58/357696158.db2.gz QCEKOENEAHZACL-JTQLQIEISA-N 1 2 239.319 -0.229 20 0 BBADLO CCC(=O)CC[N@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000190225162 357695540 /nfs/dbraw/zinc/69/55/40/357695540.db2.gz NBTVVXCVJHWRSD-ZJUUUORDSA-N 1 2 229.276 -0.036 20 0 BBADLO CCC(=O)CC[N@@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000190225162 357695535 /nfs/dbraw/zinc/69/55/35/357695535.db2.gz NBTVVXCVJHWRSD-ZJUUUORDSA-N 1 2 229.276 -0.036 20 0 BBADLO CCN1CCC[N@@H+](CC(=O)NC2CC2)CC1=O ZINC000190227022 357696231 /nfs/dbraw/zinc/69/62/31/357696231.db2.gz MYBREBNFRMOJLD-UHFFFAOYSA-N 1 2 239.319 -0.181 20 0 BBADLO 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CN(C)C(=O)C[N@H+]1CCCN(C)C(=O)C1 ZINC000191109663 347341778 /nfs/dbraw/zinc/34/17/78/347341778.db2.gz ROMHVTGURUUNPN-UHFFFAOYSA-N 1 2 213.281 -0.761 20 0 BBADLO CN(C)C(=O)C[N@@H+]1CCCN(C)C(=O)C1 ZINC000191109663 347341776 /nfs/dbraw/zinc/34/17/76/347341776.db2.gz ROMHVTGURUUNPN-UHFFFAOYSA-N 1 2 213.281 -0.761 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+]1CCCN(C)C(=O)C1 ZINC000191111632 355316150 /nfs/dbraw/zinc/31/61/50/355316150.db2.gz SMOQUNDTIRTPJE-QMMMGPOBSA-N 1 2 213.281 -0.586 20 0 BBADLO CC[C@@H](C(N)=O)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191111632 355316146 /nfs/dbraw/zinc/31/61/46/355316146.db2.gz SMOQUNDTIRTPJE-QMMMGPOBSA-N 1 2 213.281 -0.586 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1CCCN(C)C(=O)C1 ZINC000191111644 355316029 /nfs/dbraw/zinc/31/60/29/355316029.db2.gz SMOQUNDTIRTPJE-MRVPVSSYSA-N 1 2 213.281 -0.586 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191111644 355316027 /nfs/dbraw/zinc/31/60/27/355316027.db2.gz SMOQUNDTIRTPJE-MRVPVSSYSA-N 1 2 213.281 -0.586 20 0 BBADLO CC(C)CNC(=O)C[N@H+]1CCCN(C)C(=O)C1 ZINC000191114187 357751753 /nfs/dbraw/zinc/75/17/53/357751753.db2.gz NHABLWOAMANQSN-UHFFFAOYSA-N 1 2 241.335 -0.077 20 0 BBADLO CC(C)CNC(=O)C[N@@H+]1CCCN(C)C(=O)C1 ZINC000191114187 357751750 /nfs/dbraw/zinc/75/17/50/357751750.db2.gz NHABLWOAMANQSN-UHFFFAOYSA-N 1 2 241.335 -0.077 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCCN(C)C(=O)C1 ZINC000191121252 357752104 /nfs/dbraw/zinc/75/21/04/357752104.db2.gz RDMFOQYAWCXWTG-VIFPVBQESA-N 1 2 227.308 -0.373 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191121252 357752103 /nfs/dbraw/zinc/75/21/03/357752103.db2.gz RDMFOQYAWCXWTG-VIFPVBQESA-N 1 2 227.308 -0.373 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@H+]1CCCN(C)C(=O)C1 ZINC000191121266 357751475 /nfs/dbraw/zinc/75/14/75/357751475.db2.gz RDMFOQYAWCXWTG-SECBINFHSA-N 1 2 227.308 -0.373 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191121266 357751469 /nfs/dbraw/zinc/75/14/69/357751469.db2.gz RDMFOQYAWCXWTG-SECBINFHSA-N 1 2 227.308 -0.373 20 0 BBADLO CN1CC[C@@H]([N@H+]2CCCN(C)C(=O)C2)C1=O ZINC000191148105 357754085 /nfs/dbraw/zinc/75/40/85/357754085.db2.gz MGUQPSTUORWSHE-SECBINFHSA-N 1 2 225.292 -0.619 20 0 BBADLO CN1CC[C@@H]([N@@H+]2CCCN(C)C(=O)C2)C1=O ZINC000191148105 357754081 /nfs/dbraw/zinc/75/40/81/357754081.db2.gz MGUQPSTUORWSHE-SECBINFHSA-N 1 2 225.292 -0.619 20 0 BBADLO CN1CC[C@H]([N@H+]2CCCN(C)C(=O)C2)C1=O ZINC000191148126 357753816 /nfs/dbraw/zinc/75/38/16/357753816.db2.gz MGUQPSTUORWSHE-VIFPVBQESA-N 1 2 225.292 -0.619 20 0 BBADLO CN1CC[C@H]([N@@H+]2CCCN(C)C(=O)C2)C1=O ZINC000191148126 357753813 /nfs/dbraw/zinc/75/38/13/357753813.db2.gz MGUQPSTUORWSHE-VIFPVBQESA-N 1 2 225.292 -0.619 20 0 BBADLO CN1CCC[N@@H+](CC(=O)N2CCCC2)CC1=O ZINC000191148916 357753757 /nfs/dbraw/zinc/75/37/57/357753757.db2.gz QROOMHXTEOOWHC-UHFFFAOYSA-N 1 2 239.319 -0.227 20 0 BBADLO CN1CCC[N@H+](CC(=O)N2CCCC2)CC1=O ZINC000191148916 357753754 /nfs/dbraw/zinc/75/37/54/357753754.db2.gz QROOMHXTEOOWHC-UHFFFAOYSA-N 1 2 239.319 -0.227 20 0 BBADLO CCNC(=O)C[N@H+]1CCCN(C)C(=O)C1 ZINC000191150139 357754813 /nfs/dbraw/zinc/75/48/13/357754813.db2.gz HQWBKKKOEJORME-UHFFFAOYSA-N 1 2 213.281 -0.713 20 0 BBADLO CCNC(=O)C[N@@H+]1CCCN(C)C(=O)C1 ZINC000191150139 357754808 /nfs/dbraw/zinc/75/48/08/357754808.db2.gz HQWBKKKOEJORME-UHFFFAOYSA-N 1 2 213.281 -0.713 20 0 BBADLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(N)=O ZINC000191226907 357759131 /nfs/dbraw/zinc/75/91/31/357759131.db2.gz XPBJKVYPUWKMJO-MRTMQBJTSA-N 1 2 226.276 -0.255 20 0 BBADLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(N)=O ZINC000191226907 357759128 /nfs/dbraw/zinc/75/91/28/357759128.db2.gz XPBJKVYPUWKMJO-MRTMQBJTSA-N 1 2 226.276 -0.255 20 0 BBADLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC(N)=O ZINC000191226930 357758914 /nfs/dbraw/zinc/75/89/14/357758914.db2.gz XPBJKVYPUWKMJO-WEDXCCLWSA-N 1 2 226.276 -0.255 20 0 BBADLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC(N)=O ZINC000191226930 357758910 /nfs/dbraw/zinc/75/89/10/357758910.db2.gz XPBJKVYPUWKMJO-WEDXCCLWSA-N 1 2 226.276 -0.255 20 0 BBADLO C[C@@H]1C[N@@H+](CCN2CCNC(=O)C2)CCO1 ZINC000191390983 388662975 /nfs/dbraw/zinc/66/29/75/388662975.db2.gz LPYOFZMKULMELJ-SNVBAGLBSA-N 1 2 227.308 -0.861 20 0 BBADLO C[C@@H]1C[N@H+](CCN2CCNC(=O)C2)CCO1 ZINC000191390983 388662973 /nfs/dbraw/zinc/66/29/73/388662973.db2.gz LPYOFZMKULMELJ-SNVBAGLBSA-N 1 2 227.308 -0.861 20 0 BBADLO C[C@H]1C[N@@H+](CCN2CCNC(=O)C2)CCO1 ZINC000191391001 259388129 /nfs/dbraw/zinc/38/81/29/259388129.db2.gz LPYOFZMKULMELJ-JTQLQIEISA-N 1 2 227.308 -0.861 20 0 BBADLO C[C@H]1C[N@H+](CCN2CCNC(=O)C2)CCO1 ZINC000191391001 259388127 /nfs/dbraw/zinc/38/81/27/259388127.db2.gz LPYOFZMKULMELJ-JTQLQIEISA-N 1 2 227.308 -0.861 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCN1CCNC(=O)C1 ZINC000191391025 386946585 /nfs/dbraw/zinc/94/65/85/386946585.db2.gz IBGPTJUDLPFIIQ-SNVBAGLBSA-N 1 2 227.308 -0.861 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCN1CCNC(=O)C1 ZINC000191391025 386946580 /nfs/dbraw/zinc/94/65/80/386946580.db2.gz IBGPTJUDLPFIIQ-SNVBAGLBSA-N 1 2 227.308 -0.861 20 0 BBADLO C[C@H]1COCC[N@H+]1CCN1CCNC(=O)C1 ZINC000191391044 386947058 /nfs/dbraw/zinc/94/70/58/386947058.db2.gz IBGPTJUDLPFIIQ-JTQLQIEISA-N 1 2 227.308 -0.861 20 0 BBADLO C[C@H]1COCC[N@@H+]1CCN1CCNC(=O)C1 ZINC000191391044 386947054 /nfs/dbraw/zinc/94/70/54/386947054.db2.gz IBGPTJUDLPFIIQ-JTQLQIEISA-N 1 2 227.308 -0.861 20 0 BBADLO C[C@@H]1C[N@@H+](CCN(C)CC(=O)N(C)C)CCO1 ZINC000191409505 357769360 /nfs/dbraw/zinc/76/93/60/357769360.db2.gz XBRAIMOURBJYCE-LLVKDONJSA-N 1 2 243.351 -0.273 20 0 BBADLO C[C@@H]1C[N@H+](CCN(C)CC(=O)N(C)C)CCO1 ZINC000191409505 357769355 /nfs/dbraw/zinc/76/93/55/357769355.db2.gz XBRAIMOURBJYCE-LLVKDONJSA-N 1 2 243.351 -0.273 20 0 BBADLO C[C@H]1C[N@@H+](CCN(C)CC(=O)N(C)C)CCO1 ZINC000191409518 357769575 /nfs/dbraw/zinc/76/95/75/357769575.db2.gz XBRAIMOURBJYCE-NSHDSACASA-N 1 2 243.351 -0.273 20 0 BBADLO C[C@H]1C[N@H+](CCN(C)CC(=O)N(C)C)CCO1 ZINC000191409518 357769574 /nfs/dbraw/zinc/76/95/74/357769574.db2.gz XBRAIMOURBJYCE-NSHDSACASA-N 1 2 243.351 -0.273 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCN(C)CC(=O)N(C)C ZINC000191409544 347351199 /nfs/dbraw/zinc/35/11/99/347351199.db2.gz KHCALKXUXMDKGE-LLVKDONJSA-N 1 2 243.351 -0.273 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCN(C)CC(=O)N(C)C ZINC000191409544 347351196 /nfs/dbraw/zinc/35/11/96/347351196.db2.gz KHCALKXUXMDKGE-LLVKDONJSA-N 1 2 243.351 -0.273 20 0 BBADLO C[C@H]1COCC[N@H+]1CCN(C)CC(=O)N(C)C ZINC000191409562 357769275 /nfs/dbraw/zinc/76/92/75/357769275.db2.gz KHCALKXUXMDKGE-NSHDSACASA-N 1 2 243.351 -0.273 20 0 BBADLO C[C@H]1COCC[N@@H+]1CCN(C)CC(=O)N(C)C ZINC000191409562 357769272 /nfs/dbraw/zinc/76/92/72/357769272.db2.gz KHCALKXUXMDKGE-NSHDSACASA-N 1 2 243.351 -0.273 20 0 BBADLO NC(=O)[C@@H]1C[N@@H+](Cc2ccnc(N)c2)CCO1 ZINC000191466669 353481372 /nfs/dbraw/zinc/48/13/72/353481372.db2.gz KNMKJXQGDNXTMP-VIFPVBQESA-N 1 2 236.275 -0.650 20 0 BBADLO NC(=O)[C@@H]1C[N@H+](Cc2ccnc(N)c2)CCO1 ZINC000191466669 353481369 /nfs/dbraw/zinc/48/13/69/353481369.db2.gz KNMKJXQGDNXTMP-VIFPVBQESA-N 1 2 236.275 -0.650 20 0 BBADLO NC(=O)[C@H]1C[N@@H+](Cc2ccnc(N)c2)CCO1 ZINC000191466686 353481378 /nfs/dbraw/zinc/48/13/78/353481378.db2.gz KNMKJXQGDNXTMP-SECBINFHSA-N 1 2 236.275 -0.650 20 0 BBADLO NC(=O)[C@H]1C[N@H+](Cc2ccnc(N)c2)CCO1 ZINC000191466686 353481376 /nfs/dbraw/zinc/48/13/76/353481376.db2.gz KNMKJXQGDNXTMP-SECBINFHSA-N 1 2 236.275 -0.650 20 0 BBADLO C[C@@H]1C[N@@H+](CCN2CCNC(=O)[C@@H]2C)CCO1 ZINC000191473392 357772516 /nfs/dbraw/zinc/77/25/16/357772516.db2.gz GEVHONRPLGRGMQ-MNOVXSKESA-N 1 2 241.335 -0.473 20 0 BBADLO C[C@@H]1C[N@H+](CCN2CCNC(=O)[C@@H]2C)CCO1 ZINC000191473392 357772513 /nfs/dbraw/zinc/77/25/13/357772513.db2.gz GEVHONRPLGRGMQ-MNOVXSKESA-N 1 2 241.335 -0.473 20 0 BBADLO C[C@H]1C[N@@H+](CCN2CCNC(=O)[C@@H]2C)CCO1 ZINC000191473409 357772273 /nfs/dbraw/zinc/77/22/73/357772273.db2.gz GEVHONRPLGRGMQ-QWRGUYRKSA-N 1 2 241.335 -0.473 20 0 BBADLO C[C@H]1C[N@H+](CCN2CCNC(=O)[C@@H]2C)CCO1 ZINC000191473409 357772268 /nfs/dbraw/zinc/77/22/68/357772268.db2.gz GEVHONRPLGRGMQ-QWRGUYRKSA-N 1 2 241.335 -0.473 20 0 BBADLO C[C@@H]1COCCN1CC[N@H+]1CCNC(=O)[C@@H]1C ZINC000191473430 357772296 /nfs/dbraw/zinc/77/22/96/357772296.db2.gz FYEVYOSXDZIZBG-MNOVXSKESA-N 1 2 241.335 -0.473 20 0 BBADLO C[C@@H]1COCCN1CC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000191473430 357772292 /nfs/dbraw/zinc/77/22/92/357772292.db2.gz FYEVYOSXDZIZBG-MNOVXSKESA-N 1 2 241.335 -0.473 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCN1CCNC(=O)[C@@H]1C ZINC000191473430 357772287 /nfs/dbraw/zinc/77/22/87/357772287.db2.gz FYEVYOSXDZIZBG-MNOVXSKESA-N 1 2 241.335 -0.473 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCN1CCNC(=O)[C@@H]1C ZINC000191473430 357772285 /nfs/dbraw/zinc/77/22/85/357772285.db2.gz FYEVYOSXDZIZBG-MNOVXSKESA-N 1 2 241.335 -0.473 20 0 BBADLO C[C@H]1COCCN1CC[N@H+]1CCNC(=O)[C@@H]1C ZINC000191473444 357772167 /nfs/dbraw/zinc/77/21/67/357772167.db2.gz FYEVYOSXDZIZBG-QWRGUYRKSA-N 1 2 241.335 -0.473 20 0 BBADLO C[C@H]1COCCN1CC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000191473444 357772163 /nfs/dbraw/zinc/77/21/63/357772163.db2.gz FYEVYOSXDZIZBG-QWRGUYRKSA-N 1 2 241.335 -0.473 20 0 BBADLO C[C@H]1COCC[N@H+]1CCN1CCNC(=O)[C@@H]1C ZINC000191473444 357772159 /nfs/dbraw/zinc/77/21/59/357772159.db2.gz FYEVYOSXDZIZBG-QWRGUYRKSA-N 1 2 241.335 -0.473 20 0 BBADLO C[C@H]1COCC[N@@H+]1CCN1CCNC(=O)[C@@H]1C ZINC000191473444 357772154 /nfs/dbraw/zinc/77/21/54/357772154.db2.gz FYEVYOSXDZIZBG-QWRGUYRKSA-N 1 2 241.335 -0.473 20 0 BBADLO CN(C)c1noc(C[N@H+]2CC[C@H](CO)C2)n1 ZINC000191506674 385305607 /nfs/dbraw/zinc/30/56/07/385305607.db2.gz SWMQUVXIMFOKEU-QMMMGPOBSA-N 1 2 226.280 -0.050 20 0 BBADLO CN(C)c1noc(C[N@@H+]2CC[C@H](CO)C2)n1 ZINC000191506674 385305603 /nfs/dbraw/zinc/30/56/03/385305603.db2.gz SWMQUVXIMFOKEU-QMMMGPOBSA-N 1 2 226.280 -0.050 20 0 BBADLO CN(C)c1noc(C[N@H+]2CC[C@@H](CO)C2)n1 ZINC000191506691 355734813 /nfs/dbraw/zinc/73/48/13/355734813.db2.gz SWMQUVXIMFOKEU-MRVPVSSYSA-N 1 2 226.280 -0.050 20 0 BBADLO CN(C)c1noc(C[N@@H+]2CC[C@@H](CO)C2)n1 ZINC000191506691 355734810 /nfs/dbraw/zinc/73/48/10/355734810.db2.gz SWMQUVXIMFOKEU-MRVPVSSYSA-N 1 2 226.280 -0.050 20 0 BBADLO C[C@@H]1CN(Cc2c[nH]c[nH+]2)C[C@H](CO)O1 ZINC000191535964 176302210 /nfs/dbraw/zinc/30/22/10/176302210.db2.gz ZERQJLYZRRZCCB-PSASIEDQSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@@H]1CN(Cc2c[nH+]c[nH]2)C[C@H](CO)O1 ZINC000191535964 176302208 /nfs/dbraw/zinc/30/22/08/176302208.db2.gz ZERQJLYZRRZCCB-PSASIEDQSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@H]1CN(Cc2c[nH]c[nH+]2)C[C@H](CO)O1 ZINC000191535973 355736761 /nfs/dbraw/zinc/73/67/61/355736761.db2.gz ZERQJLYZRRZCCB-WCBMZHEXSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@H]1CN(Cc2c[nH+]c[nH]2)C[C@H](CO)O1 ZINC000191535973 355736759 /nfs/dbraw/zinc/73/67/59/355736759.db2.gz ZERQJLYZRRZCCB-WCBMZHEXSA-N 1 2 211.265 -0.009 20 0 BBADLO CCN1CN([C@@H](C)C[NH+]2CCOCC2)CC1=O ZINC000191581139 357786363 /nfs/dbraw/zinc/78/63/63/357786363.db2.gz LUEDLNVMORXZKM-NSHDSACASA-N 1 2 241.335 -0.171 20 0 BBADLO CCN1CN([C@H](C)C[NH+]2CCOCC2)CC1=O ZINC000191581160 357786350 /nfs/dbraw/zinc/78/63/50/357786350.db2.gz LUEDLNVMORXZKM-LLVKDONJSA-N 1 2 241.335 -0.171 20 0 BBADLO NC(=O)CN1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000191585760 181233107 /nfs/dbraw/zinc/23/31/07/181233107.db2.gz ASSAOIBPXSGYGS-UHFFFAOYSA-N 1 2 249.318 -0.733 20 0 BBADLO C[NH+]1CCN(C(=O)C(=O)NCC2CC2)CC1 ZINC000191655154 359736462 /nfs/dbraw/zinc/73/64/62/359736462.db2.gz LHIBEMNGXBEQRS-UHFFFAOYSA-N 1 2 225.292 -0.713 20 0 BBADLO CC[N@@H+](CC(N)=O)CC(=O)N(C)CC1CC1 ZINC000191698756 357800574 /nfs/dbraw/zinc/80/05/74/357800574.db2.gz RGCHDGZJRKSMGL-UHFFFAOYSA-N 1 2 227.308 -0.338 20 0 BBADLO CC[N@H+](CC(N)=O)CC(=O)N(C)CC1CC1 ZINC000191698756 357800572 /nfs/dbraw/zinc/80/05/72/357800572.db2.gz RGCHDGZJRKSMGL-UHFFFAOYSA-N 1 2 227.308 -0.338 20 0 BBADLO CC[N@@H+](CC(N)=O)CC(=O)N[C@@H](C)C(C)C ZINC000191702984 357801441 /nfs/dbraw/zinc/80/14/41/357801441.db2.gz HVNTWRLYXAJEGP-VIFPVBQESA-N 1 2 229.324 -0.046 20 0 BBADLO CC[N@H+](CC(N)=O)CC(=O)N[C@@H](C)C(C)C ZINC000191702984 357801435 /nfs/dbraw/zinc/80/14/35/357801435.db2.gz HVNTWRLYXAJEGP-VIFPVBQESA-N 1 2 229.324 -0.046 20 0 BBADLO CC[N@@H+](CC(N)=O)CC(=O)N[C@H](C)C(C)C ZINC000191703000 357801014 /nfs/dbraw/zinc/80/10/14/357801014.db2.gz HVNTWRLYXAJEGP-SECBINFHSA-N 1 2 229.324 -0.046 20 0 BBADLO CC[N@H+](CC(N)=O)CC(=O)N[C@H](C)C(C)C ZINC000191703000 357801009 /nfs/dbraw/zinc/80/10/09/357801009.db2.gz HVNTWRLYXAJEGP-SECBINFHSA-N 1 2 229.324 -0.046 20 0 BBADLO CC[N@@H+](CC(N)=O)CC(=O)NCC1CC1 ZINC000191703565 357801391 /nfs/dbraw/zinc/80/13/91/357801391.db2.gz VFKAVDLVKAJXLS-UHFFFAOYSA-N 1 2 213.281 -0.680 20 0 BBADLO CC[N@H+](CC(N)=O)CC(=O)NCC1CC1 ZINC000191703565 357801386 /nfs/dbraw/zinc/80/13/86/357801386.db2.gz VFKAVDLVKAJXLS-UHFFFAOYSA-N 1 2 213.281 -0.680 20 0 BBADLO CC[N@@H+](CCCS(C)(=O)=O)CC(N)=O ZINC000191704244 347358254 /nfs/dbraw/zinc/35/82/54/347358254.db2.gz JANBWDQDGDXGKZ-UHFFFAOYSA-N 1 2 222.310 -0.772 20 0 BBADLO CC[N@H+](CCCS(C)(=O)=O)CC(N)=O ZINC000191704244 347358253 /nfs/dbraw/zinc/35/82/53/347358253.db2.gz JANBWDQDGDXGKZ-UHFFFAOYSA-N 1 2 222.310 -0.772 20 0 BBADLO CC[N@H+](CC(N)=O)C[C@@H](C)CS(C)(=O)=O ZINC000191704364 357801522 /nfs/dbraw/zinc/80/15/22/357801522.db2.gz VCIDLILUBCOEFL-MRVPVSSYSA-N 1 2 236.337 -0.526 20 0 BBADLO CC[N@@H+](CC(N)=O)C[C@@H](C)CS(C)(=O)=O ZINC000191704364 357801519 /nfs/dbraw/zinc/80/15/19/357801519.db2.gz VCIDLILUBCOEFL-MRVPVSSYSA-N 1 2 236.337 -0.526 20 0 BBADLO CC[N@H+](CC(N)=O)C[C@H](C)CS(C)(=O)=O ZINC000191704380 357800996 /nfs/dbraw/zinc/80/09/96/357800996.db2.gz VCIDLILUBCOEFL-QMMMGPOBSA-N 1 2 236.337 -0.526 20 0 BBADLO CC[N@@H+](CC(N)=O)C[C@H](C)CS(C)(=O)=O ZINC000191704380 357800991 /nfs/dbraw/zinc/80/09/91/357800991.db2.gz VCIDLILUBCOEFL-QMMMGPOBSA-N 1 2 236.337 -0.526 20 0 BBADLO CCN(CC)C(=O)C[N@@H+](CC)CC(N)=O ZINC000191707844 357788660 /nfs/dbraw/zinc/78/86/60/357788660.db2.gz NOWKBRRLPAMUSG-UHFFFAOYSA-N 1 2 215.297 -0.338 20 0 BBADLO CCN(CC)C(=O)C[N@H+](CC)CC(N)=O ZINC000191707844 357788657 /nfs/dbraw/zinc/78/86/57/357788657.db2.gz NOWKBRRLPAMUSG-UHFFFAOYSA-N 1 2 215.297 -0.338 20 0 BBADLO CC[N@@H+](CC(N)=O)CC(=O)NCC1CCC1 ZINC000191710086 357789609 /nfs/dbraw/zinc/78/96/09/357789609.db2.gz NFGMPDDLTAARJU-UHFFFAOYSA-N 1 2 227.308 -0.290 20 0 BBADLO CC[N@H+](CC(N)=O)CC(=O)NCC1CCC1 ZINC000191710086 357789605 /nfs/dbraw/zinc/78/96/05/357789605.db2.gz NFGMPDDLTAARJU-UHFFFAOYSA-N 1 2 227.308 -0.290 20 0 BBADLO CC[N@@H+](CC(N)=O)CC(=O)NC[C@@H]1CCCO1 ZINC000191712546 357789808 /nfs/dbraw/zinc/78/98/08/357789808.db2.gz ITCCOLNTGSQNLW-VIFPVBQESA-N 1 2 243.307 -0.911 20 0 BBADLO CC[N@H+](CC(N)=O)CC(=O)NC[C@@H]1CCCO1 ZINC000191712546 357789804 /nfs/dbraw/zinc/78/98/04/357789804.db2.gz ITCCOLNTGSQNLW-VIFPVBQESA-N 1 2 243.307 -0.911 20 0 BBADLO CC[N@@H+](CC(N)=O)CC(=O)NC[C@H]1CCCO1 ZINC000191712563 357790143 /nfs/dbraw/zinc/79/01/43/357790143.db2.gz ITCCOLNTGSQNLW-SECBINFHSA-N 1 2 243.307 -0.911 20 0 BBADLO CC[N@H+](CC(N)=O)CC(=O)NC[C@H]1CCCO1 ZINC000191712563 357790137 /nfs/dbraw/zinc/79/01/37/357790137.db2.gz ITCCOLNTGSQNLW-SECBINFHSA-N 1 2 243.307 -0.911 20 0 BBADLO CC[N@@H+](CC(N)=O)CC(=O)N1CCCC1 ZINC000191714455 398244617 /nfs/dbraw/zinc/24/46/17/398244617.db2.gz TVTKLBPKKUDODF-UHFFFAOYSA-N 1 2 213.281 -0.584 20 0 BBADLO CC[N@H+](CC(N)=O)CC(=O)N1CCCC1 ZINC000191714455 398244614 /nfs/dbraw/zinc/24/46/14/398244614.db2.gz TVTKLBPKKUDODF-UHFFFAOYSA-N 1 2 213.281 -0.584 20 0 BBADLO CC[N@@H+](CC(N)=O)CC(=O)NCC(C)C ZINC000191719254 357789887 /nfs/dbraw/zinc/78/98/87/357789887.db2.gz HHLAXFSRRDSDNS-UHFFFAOYSA-N 1 2 215.297 -0.434 20 0 BBADLO CC[N@H+](CC(N)=O)CC(=O)NCC(C)C ZINC000191719254 357789882 /nfs/dbraw/zinc/78/98/82/357789882.db2.gz HHLAXFSRRDSDNS-UHFFFAOYSA-N 1 2 215.297 -0.434 20 0 BBADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CC)CC(N)=O ZINC000191719398 170077327 /nfs/dbraw/zinc/07/73/27/170077327.db2.gz KTFQOMJVZKZZAR-SSDOTTSWSA-N 1 2 244.295 -0.972 20 0 BBADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+](CC)CC(N)=O ZINC000191719398 170077325 /nfs/dbraw/zinc/07/73/25/170077325.db2.gz KTFQOMJVZKZZAR-SSDOTTSWSA-N 1 2 244.295 -0.972 20 0 BBADLO CCNC(=O)NC(=O)[C@H](C)[N@@H+](CC)CC(N)=O ZINC000191719412 170077918 /nfs/dbraw/zinc/07/79/18/170077918.db2.gz KTFQOMJVZKZZAR-ZETCQYMHSA-N 1 2 244.295 -0.972 20 0 BBADLO CCNC(=O)NC(=O)[C@H](C)[N@H+](CC)CC(N)=O ZINC000191719412 170077917 /nfs/dbraw/zinc/07/79/17/170077917.db2.gz KTFQOMJVZKZZAR-ZETCQYMHSA-N 1 2 244.295 -0.972 20 0 BBADLO CCCCNC(=O)C[N@@H+](CC)CC(N)=O ZINC000191722569 357791978 /nfs/dbraw/zinc/79/19/78/357791978.db2.gz NGDIPLZERKXCOG-UHFFFAOYSA-N 1 2 215.297 -0.290 20 0 BBADLO CCCCNC(=O)C[N@H+](CC)CC(N)=O ZINC000191722569 357791975 /nfs/dbraw/zinc/79/19/75/357791975.db2.gz NGDIPLZERKXCOG-UHFFFAOYSA-N 1 2 215.297 -0.290 20 0 BBADLO COC(C[N@H+]1C[C@@H](C)O[C@@H](CO)C1)OC ZINC000191723071 641941329 /nfs/dbraw/zinc/94/13/29/641941329.db2.gz NARZTZSLASEONB-RKDXNWHRSA-N 1 2 219.281 -0.313 20 0 BBADLO COC(C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1)OC ZINC000191723071 641941320 /nfs/dbraw/zinc/94/13/20/641941320.db2.gz NARZTZSLASEONB-RKDXNWHRSA-N 1 2 219.281 -0.313 20 0 BBADLO COC(C[N@@H+]1C[C@H](CO)O[C@@H](C)C1)OC ZINC000191723085 641940885 /nfs/dbraw/zinc/94/08/85/641940885.db2.gz NARZTZSLASEONB-DTWKUNHWSA-N 1 2 219.281 -0.313 20 0 BBADLO COC(C[N@H+]1C[C@H](CO)O[C@@H](C)C1)OC ZINC000191723085 641940879 /nfs/dbraw/zinc/94/08/79/641940879.db2.gz NARZTZSLASEONB-DTWKUNHWSA-N 1 2 219.281 -0.313 20 0 BBADLO CCCNC(=O)NC(=O)C[N@@H+](CC)CC(N)=O ZINC000191724221 169235138 /nfs/dbraw/zinc/23/51/38/169235138.db2.gz QERWKNRGWJOHID-UHFFFAOYSA-N 1 2 244.295 -0.971 20 0 BBADLO CCCNC(=O)NC(=O)C[N@H+](CC)CC(N)=O ZINC000191724221 169235136 /nfs/dbraw/zinc/23/51/36/169235136.db2.gz QERWKNRGWJOHID-UHFFFAOYSA-N 1 2 244.295 -0.971 20 0 BBADLO CC[N@@H+](CC(N)=O)CC(=O)NCc1ccco1 ZINC000191724801 385319610 /nfs/dbraw/zinc/31/96/10/385319610.db2.gz ZSLDJASIJGLTHC-UHFFFAOYSA-N 1 2 239.275 -0.297 20 0 BBADLO CC[N@H+](CC(N)=O)CC(=O)NCc1ccco1 ZINC000191724801 385319607 /nfs/dbraw/zinc/31/96/07/385319607.db2.gz ZSLDJASIJGLTHC-UHFFFAOYSA-N 1 2 239.275 -0.297 20 0 BBADLO CCCNC(=O)C[N@@H+](CC)CC(N)=O ZINC000191725214 357791763 /nfs/dbraw/zinc/79/17/63/357791763.db2.gz SSTKIPORHWEKES-UHFFFAOYSA-N 1 2 201.270 -0.680 20 0 BBADLO CCCNC(=O)C[N@H+](CC)CC(N)=O ZINC000191725214 357791757 /nfs/dbraw/zinc/79/17/57/357791757.db2.gz SSTKIPORHWEKES-UHFFFAOYSA-N 1 2 201.270 -0.680 20 0 BBADLO CC[N@@H+](CC(N)=O)CC(=O)NCC(F)(F)F ZINC000191727304 385318337 /nfs/dbraw/zinc/31/83/37/385318337.db2.gz SPEOVMNZWWQKBW-UHFFFAOYSA-N 1 2 241.213 -0.528 20 0 BBADLO CC[N@H+](CC(N)=O)CC(=O)NCC(F)(F)F ZINC000191727304 385318334 /nfs/dbraw/zinc/31/83/34/385318334.db2.gz SPEOVMNZWWQKBW-UHFFFAOYSA-N 1 2 241.213 -0.528 20 0 BBADLO CC[N@@H+](CC(N)=O)CC(=O)N1CCCCC1 ZINC000191729045 353507455 /nfs/dbraw/zinc/50/74/55/353507455.db2.gz HWFXFOMALAZJIH-UHFFFAOYSA-N 1 2 227.308 -0.194 20 0 BBADLO CC[N@H+](CC(N)=O)CC(=O)N1CCCCC1 ZINC000191729045 353507454 /nfs/dbraw/zinc/50/74/54/353507454.db2.gz HWFXFOMALAZJIH-UHFFFAOYSA-N 1 2 227.308 -0.194 20 0 BBADLO CC[N@@H+](CC(N)=O)CC(=O)N(C)C1CC1 ZINC000191732875 353507431 /nfs/dbraw/zinc/50/74/31/353507431.db2.gz IZYUPGLMLVZTHS-UHFFFAOYSA-N 1 2 213.281 -0.586 20 0 BBADLO CC[N@H+](CC(N)=O)CC(=O)N(C)C1CC1 ZINC000191732875 353507428 /nfs/dbraw/zinc/50/74/28/353507428.db2.gz IZYUPGLMLVZTHS-UHFFFAOYSA-N 1 2 213.281 -0.586 20 0 BBADLO CC[N@@H+](CC(N)=O)CC(=O)NC1CCCC1 ZINC000191733569 353507479 /nfs/dbraw/zinc/50/74/79/353507479.db2.gz VMXAPQQXLWMKAN-UHFFFAOYSA-N 1 2 227.308 -0.148 20 0 BBADLO CC[N@H+](CC(N)=O)CC(=O)NC1CCCC1 ZINC000191733569 353507476 /nfs/dbraw/zinc/50/74/76/353507476.db2.gz VMXAPQQXLWMKAN-UHFFFAOYSA-N 1 2 227.308 -0.148 20 0 BBADLO CC[C@@H](C)NC(=O)C[N@@H+](CC)CC(N)=O ZINC000191733816 357791638 /nfs/dbraw/zinc/79/16/38/357791638.db2.gz MBGAXKDVAOCBPN-MRVPVSSYSA-N 1 2 215.297 -0.292 20 0 BBADLO CC[C@@H](C)NC(=O)C[N@H+](CC)CC(N)=O ZINC000191733816 357791633 /nfs/dbraw/zinc/79/16/33/357791633.db2.gz MBGAXKDVAOCBPN-MRVPVSSYSA-N 1 2 215.297 -0.292 20 0 BBADLO CC[C@H](C)NC(=O)C[N@@H+](CC)CC(N)=O ZINC000191733831 357790968 /nfs/dbraw/zinc/79/09/68/357790968.db2.gz MBGAXKDVAOCBPN-QMMMGPOBSA-N 1 2 215.297 -0.292 20 0 BBADLO CC[C@H](C)NC(=O)C[N@H+](CC)CC(N)=O ZINC000191733831 357790963 /nfs/dbraw/zinc/79/09/63/357790963.db2.gz MBGAXKDVAOCBPN-QMMMGPOBSA-N 1 2 215.297 -0.292 20 0 BBADLO CC(C)(O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000191756852 386428681 /nfs/dbraw/zinc/42/86/81/386428681.db2.gz GQGVFMHGVPYNTR-UHFFFAOYSA-N 1 2 244.335 -0.016 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)C[C@H](CO)O1 ZINC000191765401 386436731 /nfs/dbraw/zinc/43/67/31/386436731.db2.gz YPPBLYVBGIEBCN-PRJMDXOYSA-N 1 2 243.225 -0.009 20 0 BBADLO C[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)C[C@H](CO)O1 ZINC000191765401 386436720 /nfs/dbraw/zinc/43/67/20/386436720.db2.gz YPPBLYVBGIEBCN-PRJMDXOYSA-N 1 2 243.225 -0.009 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000191767079 386436421 /nfs/dbraw/zinc/43/64/21/386436421.db2.gz UTEVVEAYIIAPCG-XHNCKOQMSA-N 1 2 216.281 -0.668 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000191767079 386436416 /nfs/dbraw/zinc/43/64/16/386436416.db2.gz UTEVVEAYIIAPCG-XHNCKOQMSA-N 1 2 216.281 -0.668 20 0 BBADLO C[C@@H]1C[N@H+]([C@@H]2CCCCNC2=O)C[C@H](CO)O1 ZINC000191767181 136364371 /nfs/dbraw/zinc/36/43/71/136364371.db2.gz QYDHOWJSRQQJNG-GMTAPVOTSA-N 1 2 242.319 -0.263 20 0 BBADLO C[C@@H]1C[N@@H+]([C@@H]2CCCCNC2=O)C[C@H](CO)O1 ZINC000191767181 136364370 /nfs/dbraw/zinc/36/43/70/136364370.db2.gz QYDHOWJSRQQJNG-GMTAPVOTSA-N 1 2 242.319 -0.263 20 0 BBADLO CCCNC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000191767730 357794885 /nfs/dbraw/zinc/79/48/85/357794885.db2.gz VLXAOMOVNMDEGB-DCAQKATOSA-N 1 2 244.335 -0.017 20 0 BBADLO CCCNC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000191767730 357794882 /nfs/dbraw/zinc/79/48/82/357794882.db2.gz VLXAOMOVNMDEGB-DCAQKATOSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H](CO)O1 ZINC000191771769 386441621 /nfs/dbraw/zinc/44/16/21/386441621.db2.gz VVUXRATVXVRLIU-PSASIEDQSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H](CO)O1 ZINC000191771769 386441612 /nfs/dbraw/zinc/44/16/12/386441612.db2.gz VVUXRATVXVRLIU-PSASIEDQSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H](CO)O1 ZINC000191771785 386439968 /nfs/dbraw/zinc/43/99/68/386439968.db2.gz VVUXRATVXVRLIU-WCBMZHEXSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@H]1C[N@H+](CC(=O)NC2CC2)C[C@H](CO)O1 ZINC000191771785 386439963 /nfs/dbraw/zinc/43/99/63/386439963.db2.gz VVUXRATVXVRLIU-WCBMZHEXSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000191773991 386449400 /nfs/dbraw/zinc/44/94/00/386449400.db2.gz KPUSGEXEEUMHCC-KXUCPTDWSA-N 1 2 230.308 -0.455 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000191773991 386449392 /nfs/dbraw/zinc/44/93/92/386449392.db2.gz KPUSGEXEEUMHCC-KXUCPTDWSA-N 1 2 230.308 -0.455 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H](CO)O1 ZINC000191776147 386449441 /nfs/dbraw/zinc/44/94/41/386449441.db2.gz PJKKKCNNENNIJN-GHMZBOCLSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H](CO)O1 ZINC000191776147 386449439 /nfs/dbraw/zinc/44/94/39/386449439.db2.gz PJKKKCNNENNIJN-GHMZBOCLSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H](CO)O1 ZINC000191776162 386449862 /nfs/dbraw/zinc/44/98/62/386449862.db2.gz PJKKKCNNENNIJN-WDEREUQCSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H](CO)O1 ZINC000191776162 386449857 /nfs/dbraw/zinc/44/98/57/386449857.db2.gz PJKKKCNNENNIJN-WDEREUQCSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H](CO)O1 ZINC000191776540 386451017 /nfs/dbraw/zinc/45/10/17/386451017.db2.gz IOPZWSZOCQRZMP-NXEZZACHSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H](CO)O1 ZINC000191776540 386451014 /nfs/dbraw/zinc/45/10/14/386451014.db2.gz IOPZWSZOCQRZMP-NXEZZACHSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H](CO)O1 ZINC000191776552 386449102 /nfs/dbraw/zinc/44/91/02/386449102.db2.gz IOPZWSZOCQRZMP-VHSXEESVSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H](CO)O1 ZINC000191776552 386449099 /nfs/dbraw/zinc/44/90/99/386449099.db2.gz IOPZWSZOCQRZMP-VHSXEESVSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H](CO)O1 ZINC000191778271 386455191 /nfs/dbraw/zinc/45/51/91/386455191.db2.gz XFYXRQNVJMYAST-MWLCHTKSSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H](CO)O1 ZINC000191778271 386455186 /nfs/dbraw/zinc/45/51/86/386455186.db2.gz XFYXRQNVJMYAST-MWLCHTKSSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H](CO)O1 ZINC000191778288 386454614 /nfs/dbraw/zinc/45/46/14/386454614.db2.gz XFYXRQNVJMYAST-GXSJLCMTSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H](CO)O1 ZINC000191778288 386454610 /nfs/dbraw/zinc/45/46/10/386454610.db2.gz XFYXRQNVJMYAST-GXSJLCMTSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H](CO)O1 ZINC000191779751 386454456 /nfs/dbraw/zinc/45/44/56/386454456.db2.gz RNZGVIOXCGGNNI-OPRDCNLKSA-N 1 2 228.292 -0.701 20 0 BBADLO C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H](CO)O1 ZINC000191779751 386454453 /nfs/dbraw/zinc/45/44/53/386454453.db2.gz RNZGVIOXCGGNNI-OPRDCNLKSA-N 1 2 228.292 -0.701 20 0 BBADLO CC(C)NC(=O)C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000191779991 385323553 /nfs/dbraw/zinc/32/35/53/385323553.db2.gz QUNCDSGVCGMNJF-NXEZZACHSA-N 1 2 230.308 -0.407 20 0 BBADLO CC(C)NC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000191779991 385323548 /nfs/dbraw/zinc/32/35/48/385323548.db2.gz QUNCDSGVCGMNJF-NXEZZACHSA-N 1 2 230.308 -0.407 20 0 BBADLO CC(C)NC(=O)C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000191780002 386456132 /nfs/dbraw/zinc/45/61/32/386456132.db2.gz QUNCDSGVCGMNJF-VHSXEESVSA-N 1 2 230.308 -0.407 20 0 BBADLO CC(C)NC(=O)C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000191780002 386456128 /nfs/dbraw/zinc/45/61/28/386456128.db2.gz QUNCDSGVCGMNJF-VHSXEESVSA-N 1 2 230.308 -0.407 20 0 BBADLO CCN(CC)C(=O)C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000191781928 357796141 /nfs/dbraw/zinc/79/61/41/357796141.db2.gz GMICEMXRUHZYDF-QWRGUYRKSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(CC)C(=O)C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000191781928 357796138 /nfs/dbraw/zinc/79/61/38/357796138.db2.gz GMICEMXRUHZYDF-QWRGUYRKSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000191781943 357796119 /nfs/dbraw/zinc/79/61/19/357796119.db2.gz GMICEMXRUHZYDF-MNOVXSKESA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000191781943 357796115 /nfs/dbraw/zinc/79/61/15/357796115.db2.gz GMICEMXRUHZYDF-MNOVXSKESA-N 1 2 244.335 -0.064 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H](CO)O1 ZINC000191781967 386452692 /nfs/dbraw/zinc/45/26/92/386452692.db2.gz CTIQLYFZELFWJO-RKDXNWHRSA-N 1 2 216.281 -0.844 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H](CO)O1 ZINC000191781967 386452689 /nfs/dbraw/zinc/45/26/89/386452689.db2.gz CTIQLYFZELFWJO-RKDXNWHRSA-N 1 2 216.281 -0.844 20 0 BBADLO C[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@H](CO)O1 ZINC000191781979 386452495 /nfs/dbraw/zinc/45/24/95/386452495.db2.gz CTIQLYFZELFWJO-DTWKUNHWSA-N 1 2 216.281 -0.844 20 0 BBADLO C[C@H]1C[N@H+](CC(=O)N(C)C)C[C@H](CO)O1 ZINC000191781979 386452490 /nfs/dbraw/zinc/45/24/90/386452490.db2.gz CTIQLYFZELFWJO-DTWKUNHWSA-N 1 2 216.281 -0.844 20 0 BBADLO CCNC(=O)C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000191784210 386460409 /nfs/dbraw/zinc/46/04/09/386460409.db2.gz SFHNUCKRFQEAEO-IUCAKERBSA-N 1 2 216.281 -0.796 20 0 BBADLO CCNC(=O)C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000191784210 386460405 /nfs/dbraw/zinc/46/04/05/386460405.db2.gz SFHNUCKRFQEAEO-IUCAKERBSA-N 1 2 216.281 -0.796 20 0 BBADLO CCNC(=O)C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000191784227 386461068 /nfs/dbraw/zinc/46/10/68/386461068.db2.gz SFHNUCKRFQEAEO-BDAKNGLRSA-N 1 2 216.281 -0.796 20 0 BBADLO CCNC(=O)C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000191784227 386461064 /nfs/dbraw/zinc/46/10/64/386461064.db2.gz SFHNUCKRFQEAEO-BDAKNGLRSA-N 1 2 216.281 -0.796 20 0 BBADLO C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H](CO)O1 ZINC000191787047 386454161 /nfs/dbraw/zinc/45/41/61/386454161.db2.gz PIERVYIAVWLNII-GHMZBOCLSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H](CO)O1 ZINC000191787047 386454157 /nfs/dbraw/zinc/45/41/57/386454157.db2.gz PIERVYIAVWLNII-GHMZBOCLSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H]1C[N@@H+](CCN2CCCC2=O)C[C@H](CO)O1 ZINC000191787063 386454065 /nfs/dbraw/zinc/45/40/65/386454065.db2.gz PIERVYIAVWLNII-WDEREUQCSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H]1C[N@H+](CCN2CCCC2=O)C[C@H](CO)O1 ZINC000191787063 386454061 /nfs/dbraw/zinc/45/40/61/386454061.db2.gz PIERVYIAVWLNII-WDEREUQCSA-N 1 2 242.319 -0.310 20 0 BBADLO CC(C)(O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000191800972 386465659 /nfs/dbraw/zinc/46/56/59/386465659.db2.gz UCKROPOCXYWEMN-UHFFFAOYSA-N 1 2 244.335 -0.016 20 0 BBADLO CC(C)(O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000191800972 386465655 /nfs/dbraw/zinc/46/56/55/386465655.db2.gz UCKROPOCXYWEMN-UHFFFAOYSA-N 1 2 244.335 -0.016 20 0 BBADLO C[C@H]([C@H](C)NC(=O)C(C)(C)O)[NH+]1CCOCC1 ZINC000191804349 398305745 /nfs/dbraw/zinc/30/57/45/398305745.db2.gz WKUIBLVWRPWLND-VHSXEESVSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@@H](NC(=O)C(C)(C)O)[C@@H](C)[NH+]1CCOCC1 ZINC000191804359 398305685 /nfs/dbraw/zinc/30/56/85/398305685.db2.gz WKUIBLVWRPWLND-NXEZZACHSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@H](NC(=O)C(C)(C)O)[C@H](C)[NH+]1CCOCC1 ZINC000191804373 398305661 /nfs/dbraw/zinc/30/56/61/398305661.db2.gz WKUIBLVWRPWLND-UWVGGRQHSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@@H](NC(=O)C(C)(C)O)[C@H](C)[NH+]1CCOCC1 ZINC000191804384 398305776 /nfs/dbraw/zinc/30/57/76/398305776.db2.gz WKUIBLVWRPWLND-ZJUUUORDSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@@H](c1nnnn1C1CC1)[N@@H+](C)CCO ZINC000191928304 357805260 /nfs/dbraw/zinc/80/52/60/357805260.db2.gz STCIFKHISQOBTQ-ZETCQYMHSA-N 1 2 211.269 -0.007 20 0 BBADLO C[C@@H](c1nnnn1C1CC1)[N@H+](C)CCO ZINC000191928304 357805257 /nfs/dbraw/zinc/80/52/57/357805257.db2.gz STCIFKHISQOBTQ-ZETCQYMHSA-N 1 2 211.269 -0.007 20 0 BBADLO C[C@H](c1nnnn1C1CC1)[N@@H+](C)CCO ZINC000191928321 357805352 /nfs/dbraw/zinc/80/53/52/357805352.db2.gz STCIFKHISQOBTQ-SSDOTTSWSA-N 1 2 211.269 -0.007 20 0 BBADLO C[C@H](c1nnnn1C1CC1)[N@H+](C)CCO ZINC000191928321 357805351 /nfs/dbraw/zinc/80/53/51/357805351.db2.gz STCIFKHISQOBTQ-SSDOTTSWSA-N 1 2 211.269 -0.007 20 0 BBADLO COC[C@@H](C)C[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000191963687 641953192 /nfs/dbraw/zinc/95/31/92/641953192.db2.gz ONFHLWAKIGXKBH-YIZRAAEISA-N 1 2 219.281 -0.219 20 0 BBADLO COC[C@H](C)C[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000191963694 364777546 /nfs/dbraw/zinc/77/75/46/364777546.db2.gz ONFHLWAKIGXKBH-HLTSFMKQSA-N 1 2 219.281 -0.219 20 0 BBADLO COC[C@H](C)C[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC000191963705 364777565 /nfs/dbraw/zinc/77/75/65/364777565.db2.gz ONFHLWAKIGXKBH-IWSPIJDZSA-N 1 2 219.281 -0.219 20 0 BBADLO CC[C@H](COC)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000191964528 386732221 /nfs/dbraw/zinc/73/22/21/386732221.db2.gz DBSUYLUXBNOROH-HLTSFMKQSA-N 1 2 219.281 -0.077 20 0 BBADLO CC[C@H](COC)[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC000191964540 386731851 /nfs/dbraw/zinc/73/18/51/386731851.db2.gz DBSUYLUXBNOROH-IWSPIJDZSA-N 1 2 219.281 -0.077 20 0 BBADLO C[NH+](C)CCNS(=O)(=O)NCC(F)(F)F ZINC000191999853 386729540 /nfs/dbraw/zinc/72/95/40/386729540.db2.gz ZETZSFWJNXFKJC-UHFFFAOYSA-N 1 2 249.258 -0.466 20 0 BBADLO C[N@@H+](Cc1ncccn1)CC(C)(CO)CO ZINC000192079574 353535496 /nfs/dbraw/zinc/53/54/96/353535496.db2.gz UJVOUOVXRRUBKI-UHFFFAOYSA-N 1 2 225.292 -0.101 20 0 BBADLO C[N@H+](Cc1ncccn1)CC(C)(CO)CO ZINC000192079574 353535495 /nfs/dbraw/zinc/53/54/95/353535495.db2.gz UJVOUOVXRRUBKI-UHFFFAOYSA-N 1 2 225.292 -0.101 20 0 BBADLO Cc1nc(N2CC[C@H](CO)[C@H](O)C2)cc[nH+]1 ZINC000192205757 365283167 /nfs/dbraw/zinc/28/31/67/365283167.db2.gz TXHGTYFYVRSYKV-NXEZZACHSA-N 1 2 223.276 -0.035 20 0 BBADLO Cc1nc(N2CC[C@@H](CO)[C@H](O)C2)cc[nH+]1 ZINC000192205763 365283231 /nfs/dbraw/zinc/28/32/31/365283231.db2.gz TXHGTYFYVRSYKV-VHSXEESVSA-N 1 2 223.276 -0.035 20 0 BBADLO C[C@@H](O)CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000192437737 386768301 /nfs/dbraw/zinc/76/83/01/386768301.db2.gz AUGODFDBXZXXQY-VHSXEESVSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@@H](O)CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000192437739 386767331 /nfs/dbraw/zinc/76/73/31/386767331.db2.gz AUGODFDBXZXXQY-NXEZZACHSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@H](CO)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000192508872 353552804 /nfs/dbraw/zinc/55/28/04/353552804.db2.gz JZJMBVYHJNWJKM-VHSXEESVSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@H](CO)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000192508888 353552653 /nfs/dbraw/zinc/55/26/53/353552653.db2.gz JZJMBVYHJNWJKM-NXEZZACHSA-N 1 2 245.323 -0.613 20 0 BBADLO COC(=O)CN(C)CC[N@H+]1CCOC[C@H]1C ZINC000192692757 387521250 /nfs/dbraw/zinc/52/12/50/387521250.db2.gz YCIVZBGQSGHMBF-SNVBAGLBSA-N 1 2 230.308 -0.188 20 0 BBADLO COC(=O)CN(C)CC[N@@H+]1CCOC[C@H]1C ZINC000192692757 387521243 /nfs/dbraw/zinc/52/12/43/387521243.db2.gz YCIVZBGQSGHMBF-SNVBAGLBSA-N 1 2 230.308 -0.188 20 0 BBADLO COC(=O)CN(C)CC[N@H+]1CCOC[C@@H]1C ZINC000192692771 387521082 /nfs/dbraw/zinc/52/10/82/387521082.db2.gz YCIVZBGQSGHMBF-JTQLQIEISA-N 1 2 230.308 -0.188 20 0 BBADLO COC(=O)CN(C)CC[N@@H+]1CCOC[C@@H]1C ZINC000192692771 387521077 /nfs/dbraw/zinc/52/10/77/387521077.db2.gz YCIVZBGQSGHMBF-JTQLQIEISA-N 1 2 230.308 -0.188 20 0 BBADLO CN(C)c1noc(C[N@@H+](C)CCO)n1 ZINC000192695536 385368123 /nfs/dbraw/zinc/36/81/23/385368123.db2.gz COIXNQZBLMYRMT-UHFFFAOYSA-N 1 2 200.242 -0.440 20 0 BBADLO CN(C)c1noc(C[N@H+](C)CCO)n1 ZINC000192695536 385368119 /nfs/dbraw/zinc/36/81/19/385368119.db2.gz COIXNQZBLMYRMT-UHFFFAOYSA-N 1 2 200.242 -0.440 20 0 BBADLO COCC[N@@H+](CCO)Cc1nc(N(C)C)no1 ZINC000192708200 387522963 /nfs/dbraw/zinc/52/29/63/387522963.db2.gz ZBLUVAYVHZNZQU-UHFFFAOYSA-N 1 2 244.295 -0.424 20 0 BBADLO COCC[N@H+](CCO)Cc1nc(N(C)C)no1 ZINC000192708200 387522960 /nfs/dbraw/zinc/52/29/60/387522960.db2.gz ZBLUVAYVHZNZQU-UHFFFAOYSA-N 1 2 244.295 -0.424 20 0 BBADLO CC[N@@H+](CCO)Cc1nc(N(C)C)no1 ZINC000192710112 353564184 /nfs/dbraw/zinc/56/41/84/353564184.db2.gz HXXXSHATSFGFEK-UHFFFAOYSA-N 1 2 214.269 -0.050 20 0 BBADLO CC[N@H+](CCO)Cc1nc(N(C)C)no1 ZINC000192710112 353564182 /nfs/dbraw/zinc/56/41/82/353564182.db2.gz HXXXSHATSFGFEK-UHFFFAOYSA-N 1 2 214.269 -0.050 20 0 BBADLO CN(C)c1noc(C[N@H+]2CC[C@H](O)C2)n1 ZINC000192710459 353564150 /nfs/dbraw/zinc/56/41/50/353564150.db2.gz FAUXFQJDZYOAGF-ZETCQYMHSA-N 1 2 212.253 -0.298 20 0 BBADLO CN(C)c1noc(C[N@@H+]2CC[C@H](O)C2)n1 ZINC000192710459 353564146 /nfs/dbraw/zinc/56/41/46/353564146.db2.gz FAUXFQJDZYOAGF-ZETCQYMHSA-N 1 2 212.253 -0.298 20 0 BBADLO CN(C)c1noc(C[N@H+]2CC[C@@H](O)C2)n1 ZINC000192710498 387526138 /nfs/dbraw/zinc/52/61/38/387526138.db2.gz FAUXFQJDZYOAGF-SSDOTTSWSA-N 1 2 212.253 -0.298 20 0 BBADLO CN(C)c1noc(C[N@@H+]2CC[C@@H](O)C2)n1 ZINC000192710498 387526134 /nfs/dbraw/zinc/52/61/34/387526134.db2.gz FAUXFQJDZYOAGF-SSDOTTSWSA-N 1 2 212.253 -0.298 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCN1CCN(C)C(=O)C1 ZINC000192726251 538997081 /nfs/dbraw/zinc/99/70/81/538997081.db2.gz TWIFGHXPQCVFNH-LLVKDONJSA-N 1 2 241.335 -0.519 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCN1CCN(C)C(=O)C1 ZINC000192726251 538997080 /nfs/dbraw/zinc/99/70/80/538997080.db2.gz TWIFGHXPQCVFNH-LLVKDONJSA-N 1 2 241.335 -0.519 20 0 BBADLO C[C@H]1COCC[N@H+]1CCN1CCN(C)C(=O)C1 ZINC000192726263 538997336 /nfs/dbraw/zinc/99/73/36/538997336.db2.gz TWIFGHXPQCVFNH-NSHDSACASA-N 1 2 241.335 -0.519 20 0 BBADLO C[C@H]1COCC[N@@H+]1CCN1CCN(C)C(=O)C1 ZINC000192726263 538997334 /nfs/dbraw/zinc/99/73/34/538997334.db2.gz TWIFGHXPQCVFNH-NSHDSACASA-N 1 2 241.335 -0.519 20 0 BBADLO C[C@H](O)C[N@@H+](C)Cc1nc(N(C)C)no1 ZINC000192727856 357848939 /nfs/dbraw/zinc/84/89/39/357848939.db2.gz GNQAHRWCCHKMEU-ZETCQYMHSA-N 1 2 214.269 -0.052 20 0 BBADLO C[C@H](O)C[N@H+](C)Cc1nc(N(C)C)no1 ZINC000192727856 357848935 /nfs/dbraw/zinc/84/89/35/357848935.db2.gz GNQAHRWCCHKMEU-ZETCQYMHSA-N 1 2 214.269 -0.052 20 0 BBADLO C[C@@H](O)C[N@@H+](C)Cc1nc(N(C)C)no1 ZINC000192727863 134955572 /nfs/dbraw/zinc/95/55/72/134955572.db2.gz GNQAHRWCCHKMEU-SSDOTTSWSA-N 1 2 214.269 -0.052 20 0 BBADLO C[C@@H](O)C[N@H+](C)Cc1nc(N(C)C)no1 ZINC000192727863 134955570 /nfs/dbraw/zinc/95/55/70/134955570.db2.gz GNQAHRWCCHKMEU-SSDOTTSWSA-N 1 2 214.269 -0.052 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCN(C)Cc1nc[nH]n1 ZINC000192739283 353563960 /nfs/dbraw/zinc/56/39/60/353563960.db2.gz FOLKHIWOVOOTOI-SNVBAGLBSA-N 1 2 239.323 -0.043 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCN(C)Cc1nc[nH]n1 ZINC000192739283 353563959 /nfs/dbraw/zinc/56/39/59/353563959.db2.gz FOLKHIWOVOOTOI-SNVBAGLBSA-N 1 2 239.323 -0.043 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCN(C)Cc1nnc[nH]1 ZINC000192739283 353563955 /nfs/dbraw/zinc/56/39/55/353563955.db2.gz FOLKHIWOVOOTOI-SNVBAGLBSA-N 1 2 239.323 -0.043 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCN(C)Cc1nnc[nH]1 ZINC000192739283 353563953 /nfs/dbraw/zinc/56/39/53/353563953.db2.gz FOLKHIWOVOOTOI-SNVBAGLBSA-N 1 2 239.323 -0.043 20 0 BBADLO C[C@H]1COCC[N@H+]1CCN(C)Cc1nc[nH]n1 ZINC000192739298 353563908 /nfs/dbraw/zinc/56/39/08/353563908.db2.gz FOLKHIWOVOOTOI-JTQLQIEISA-N 1 2 239.323 -0.043 20 0 BBADLO C[C@H]1COCC[N@@H+]1CCN(C)Cc1nc[nH]n1 ZINC000192739298 353563907 /nfs/dbraw/zinc/56/39/07/353563907.db2.gz FOLKHIWOVOOTOI-JTQLQIEISA-N 1 2 239.323 -0.043 20 0 BBADLO C[C@H]1COCC[N@H+]1CCN(C)Cc1nnc[nH]1 ZINC000192739298 353563905 /nfs/dbraw/zinc/56/39/05/353563905.db2.gz FOLKHIWOVOOTOI-JTQLQIEISA-N 1 2 239.323 -0.043 20 0 BBADLO C[C@H]1COCC[N@@H+]1CCN(C)Cc1nnc[nH]1 ZINC000192739298 353563904 /nfs/dbraw/zinc/56/39/04/353563904.db2.gz FOLKHIWOVOOTOI-JTQLQIEISA-N 1 2 239.323 -0.043 20 0 BBADLO C[C@@H]1C[N@@H+](CCN2CCN(C)C(=O)C2)CCO1 ZINC000192745119 487920818 /nfs/dbraw/zinc/92/08/18/487920818.db2.gz LOBAWBJXOGGJCF-LLVKDONJSA-N 1 2 241.335 -0.519 20 0 BBADLO C[C@@H]1C[N@H+](CCN2CCN(C)C(=O)C2)CCO1 ZINC000192745119 487920817 /nfs/dbraw/zinc/92/08/17/487920817.db2.gz LOBAWBJXOGGJCF-LLVKDONJSA-N 1 2 241.335 -0.519 20 0 BBADLO C[C@H]1C[N@@H+](CCN2CCN(C)C(=O)C2)CCO1 ZINC000192745134 487920835 /nfs/dbraw/zinc/92/08/35/487920835.db2.gz LOBAWBJXOGGJCF-NSHDSACASA-N 1 2 241.335 -0.519 20 0 BBADLO C[C@H]1C[N@H+](CCN2CCN(C)C(=O)C2)CCO1 ZINC000192745134 487920833 /nfs/dbraw/zinc/92/08/33/487920833.db2.gz LOBAWBJXOGGJCF-NSHDSACASA-N 1 2 241.335 -0.519 20 0 BBADLO C[C@@H]1C[N@@H+](CCN(C)Cc2nc[nH]n2)CCO1 ZINC000192754606 176291588 /nfs/dbraw/zinc/29/15/88/176291588.db2.gz FGQVRGLWGQASCW-SNVBAGLBSA-N 1 2 239.323 -0.043 20 0 BBADLO C[C@@H]1C[N@H+](CCN(C)Cc2nc[nH]n2)CCO1 ZINC000192754606 176291586 /nfs/dbraw/zinc/29/15/86/176291586.db2.gz FGQVRGLWGQASCW-SNVBAGLBSA-N 1 2 239.323 -0.043 20 0 BBADLO C[C@@H]1C[N@@H+](CCN(C)Cc2nnc[nH]2)CCO1 ZINC000192754606 176291585 /nfs/dbraw/zinc/29/15/85/176291585.db2.gz FGQVRGLWGQASCW-SNVBAGLBSA-N 1 2 239.323 -0.043 20 0 BBADLO C[C@@H]1C[N@H+](CCN(C)Cc2nnc[nH]2)CCO1 ZINC000192754606 176291583 /nfs/dbraw/zinc/29/15/83/176291583.db2.gz FGQVRGLWGQASCW-SNVBAGLBSA-N 1 2 239.323 -0.043 20 0 BBADLO C[C@H]1C[N@@H+](CCN(C)Cc2nc[nH]n2)CCO1 ZINC000192754617 353564733 /nfs/dbraw/zinc/56/47/33/353564733.db2.gz FGQVRGLWGQASCW-JTQLQIEISA-N 1 2 239.323 -0.043 20 0 BBADLO C[C@H]1C[N@H+](CCN(C)Cc2nc[nH]n2)CCO1 ZINC000192754617 353564730 /nfs/dbraw/zinc/56/47/30/353564730.db2.gz FGQVRGLWGQASCW-JTQLQIEISA-N 1 2 239.323 -0.043 20 0 BBADLO C[C@H]1C[N@@H+](CCN(C)Cc2nnc[nH]2)CCO1 ZINC000192754617 353564729 /nfs/dbraw/zinc/56/47/29/353564729.db2.gz FGQVRGLWGQASCW-JTQLQIEISA-N 1 2 239.323 -0.043 20 0 BBADLO C[C@H]1C[N@H+](CCN(C)Cc2nnc[nH]2)CCO1 ZINC000192754617 353564726 /nfs/dbraw/zinc/56/47/26/353564726.db2.gz FGQVRGLWGQASCW-JTQLQIEISA-N 1 2 239.323 -0.043 20 0 BBADLO CC[C@](C)([NH2+]Cc1nc(N(C)C)no1)C(N)=O ZINC000192762659 388684848 /nfs/dbraw/zinc/68/48/48/388684848.db2.gz IEZNBZBOMWJGLO-JTQLQIEISA-N 1 2 241.295 -0.121 20 0 BBADLO CC[C@@](C)([NH2+]Cc1nc(N(C)C)no1)C(N)=O ZINC000192762674 388684887 /nfs/dbraw/zinc/68/48/87/388684887.db2.gz IEZNBZBOMWJGLO-SNVBAGLBSA-N 1 2 241.295 -0.121 20 0 BBADLO C[C@@H](CO)[N@@H+](C)Cc1nc(N(C)C)no1 ZINC000192769624 134067420 /nfs/dbraw/zinc/06/74/20/134067420.db2.gz GIKHRTWOWPJVBW-ZETCQYMHSA-N 1 2 214.269 -0.052 20 0 BBADLO C[C@@H](CO)[N@H+](C)Cc1nc(N(C)C)no1 ZINC000192769624 134067419 /nfs/dbraw/zinc/06/74/19/134067419.db2.gz GIKHRTWOWPJVBW-ZETCQYMHSA-N 1 2 214.269 -0.052 20 0 BBADLO C[C@H](CO)[N@@H+](C)Cc1nc(N(C)C)no1 ZINC000192769640 134067583 /nfs/dbraw/zinc/06/75/83/134067583.db2.gz GIKHRTWOWPJVBW-SSDOTTSWSA-N 1 2 214.269 -0.052 20 0 BBADLO C[C@H](CO)[N@H+](C)Cc1nc(N(C)C)no1 ZINC000192769640 134067582 /nfs/dbraw/zinc/06/75/82/134067582.db2.gz GIKHRTWOWPJVBW-SSDOTTSWSA-N 1 2 214.269 -0.052 20 0 BBADLO COCCN1CC[N@@H+](C[C@H](C)O)CC1=O ZINC000192775723 398250486 /nfs/dbraw/zinc/25/04/86/398250486.db2.gz POLROHONONWCKN-VIFPVBQESA-N 1 2 216.281 -0.842 20 0 BBADLO COCCN1CC[N@H+](C[C@H](C)O)CC1=O ZINC000192775723 398250482 /nfs/dbraw/zinc/25/04/82/398250482.db2.gz POLROHONONWCKN-VIFPVBQESA-N 1 2 216.281 -0.842 20 0 BBADLO COCCN1CC[N@@H+](C[C@@H](C)O)CC1=O ZINC000192775732 398250034 /nfs/dbraw/zinc/25/00/34/398250034.db2.gz POLROHONONWCKN-SECBINFHSA-N 1 2 216.281 -0.842 20 0 BBADLO COCCN1CC[N@H+](C[C@@H](C)O)CC1=O ZINC000192775732 398250032 /nfs/dbraw/zinc/25/00/32/398250032.db2.gz POLROHONONWCKN-SECBINFHSA-N 1 2 216.281 -0.842 20 0 BBADLO C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)CCO1 ZINC000192784593 176290631 /nfs/dbraw/zinc/29/06/31/176290631.db2.gz YHSIFMBMDLKVCJ-SECBINFHSA-N 1 2 226.276 -0.144 20 0 BBADLO C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)CCO1 ZINC000192784593 176290630 /nfs/dbraw/zinc/29/06/30/176290630.db2.gz YHSIFMBMDLKVCJ-SECBINFHSA-N 1 2 226.276 -0.144 20 0 BBADLO C[C@H]1C[N@@H+](CCN2C(=O)CCC2=O)CCO1 ZINC000192784603 177250669 /nfs/dbraw/zinc/25/06/69/177250669.db2.gz YHSIFMBMDLKVCJ-VIFPVBQESA-N 1 2 226.276 -0.144 20 0 BBADLO C[C@H]1C[N@H+](CCN2C(=O)CCC2=O)CCO1 ZINC000192784603 177250667 /nfs/dbraw/zinc/25/06/67/177250667.db2.gz YHSIFMBMDLKVCJ-VIFPVBQESA-N 1 2 226.276 -0.144 20 0 BBADLO CN(C)c1noc(C[NH2+]C(C)(C)CC(N)=O)n1 ZINC000192801230 385372240 /nfs/dbraw/zinc/37/22/40/385372240.db2.gz GGMIGMMPEGNCPT-UHFFFAOYSA-N 1 2 241.295 -0.121 20 0 BBADLO CCN1CN(CC[N@H+]2CCOC[C@@H]2C)CC1=O ZINC000192822395 388686083 /nfs/dbraw/zinc/68/60/83/388686083.db2.gz IVQGAEYIHOYJMJ-NSHDSACASA-N 1 2 241.335 -0.171 20 0 BBADLO CCN1CN(CC[N@@H+]2CCOC[C@@H]2C)CC1=O ZINC000192822395 388686080 /nfs/dbraw/zinc/68/60/80/388686080.db2.gz IVQGAEYIHOYJMJ-NSHDSACASA-N 1 2 241.335 -0.171 20 0 BBADLO CCONC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000192827916 644187381 /nfs/dbraw/zinc/18/73/81/644187381.db2.gz GOCKRCAYHXAVDC-SECBINFHSA-N 1 2 231.296 -0.042 20 0 BBADLO CONC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000192827943 644187692 /nfs/dbraw/zinc/18/76/92/644187692.db2.gz SMIKPYHGYQAGHX-QMMMGPOBSA-N 1 2 217.269 -0.432 20 0 BBADLO CONC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000192827958 644186737 /nfs/dbraw/zinc/18/67/37/644186737.db2.gz SMIKPYHGYQAGHX-MRVPVSSYSA-N 1 2 217.269 -0.432 20 0 BBADLO CCN1CN(CC[N@H+]2CCO[C@H](C)C2)CC1=O ZINC000192847603 388686540 /nfs/dbraw/zinc/68/65/40/388686540.db2.gz RLJSIMVTUWHWHU-LLVKDONJSA-N 1 2 241.335 -0.171 20 0 BBADLO CCN1CN(CC[N@@H+]2CCO[C@H](C)C2)CC1=O ZINC000192847603 388686537 /nfs/dbraw/zinc/68/65/37/388686537.db2.gz RLJSIMVTUWHWHU-LLVKDONJSA-N 1 2 241.335 -0.171 20 0 BBADLO CC[C@H]([NH2+]C[C@@H]1CC[C@H](C(N)=O)O1)C(=O)OC ZINC000192857900 386687935 /nfs/dbraw/zinc/68/79/35/386687935.db2.gz DDABXIYPSKNHLP-XHNCKOQMSA-N 1 2 244.291 -0.440 20 0 BBADLO CC[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)O1)C(=O)OC ZINC000192857924 386689661 /nfs/dbraw/zinc/68/96/61/386689661.db2.gz DDABXIYPSKNHLP-HRDYMLBCSA-N 1 2 244.291 -0.440 20 0 BBADLO CO[C@@H](C)CS(=O)(=O)N1CC[NH+](C)CC1 ZINC000192865871 386703465 /nfs/dbraw/zinc/70/34/65/386703465.db2.gz SZCPZTDPTRSGOV-VIFPVBQESA-N 1 2 236.337 -0.402 20 0 BBADLO CO[C@H](C)CS(=O)(=O)N1CC[NH+](C)CC1 ZINC000192865888 386703525 /nfs/dbraw/zinc/70/35/25/386703525.db2.gz SZCPZTDPTRSGOV-SECBINFHSA-N 1 2 236.337 -0.402 20 0 BBADLO COCCNC(=O)NCCn1cc[nH+]c1 ZINC000192876150 388688217 /nfs/dbraw/zinc/68/82/17/388688217.db2.gz NVOPASBXUKDLKJ-UHFFFAOYSA-N 1 2 212.253 -0.171 20 0 BBADLO COCCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000192880147 353566092 /nfs/dbraw/zinc/56/60/92/353566092.db2.gz SRZOKAAGDPFTAV-JTQLQIEISA-N 1 2 245.323 -0.347 20 0 BBADLO COCCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000192880159 353565847 /nfs/dbraw/zinc/56/58/47/353565847.db2.gz SRZOKAAGDPFTAV-SNVBAGLBSA-N 1 2 245.323 -0.347 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCCO ZINC000192897622 353566796 /nfs/dbraw/zinc/56/67/96/353566796.db2.gz LNFZSEFLRACQDN-JTQLQIEISA-N 1 2 245.323 -0.611 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCCO ZINC000192897633 353566569 /nfs/dbraw/zinc/56/65/69/353566569.db2.gz LNFZSEFLRACQDN-SNVBAGLBSA-N 1 2 245.323 -0.611 20 0 BBADLO O=C(NCCCO)NCCCn1cc[nH+]c1 ZINC000192897846 387866374 /nfs/dbraw/zinc/86/63/74/387866374.db2.gz JISQNWSEMYAFBS-UHFFFAOYSA-N 1 2 226.280 -0.045 20 0 BBADLO COC(C[N@H+]1CCN(C[C@@H](C)O)C[C@H]1C)OC ZINC000192960051 644202685 /nfs/dbraw/zinc/20/26/85/644202685.db2.gz IGUVTPOLSIOPFW-GHMZBOCLSA-N 1 2 246.351 -0.008 20 0 BBADLO COC(C[N@@H+]1CCN(C[C@@H](C)O)C[C@H]1C)OC ZINC000192960051 644202677 /nfs/dbraw/zinc/20/26/77/644202677.db2.gz IGUVTPOLSIOPFW-GHMZBOCLSA-N 1 2 246.351 -0.008 20 0 BBADLO COC(C[N@H+]1CCN(C[C@@H](C)O)C[C@@H]1C)OC ZINC000192960067 644202364 /nfs/dbraw/zinc/20/23/64/644202364.db2.gz IGUVTPOLSIOPFW-WDEREUQCSA-N 1 2 246.351 -0.008 20 0 BBADLO COC(C[N@@H+]1CCN(C[C@@H](C)O)C[C@@H]1C)OC ZINC000192960067 644202360 /nfs/dbraw/zinc/20/23/60/644202360.db2.gz IGUVTPOLSIOPFW-WDEREUQCSA-N 1 2 246.351 -0.008 20 0 BBADLO CC[C@@H](C)NC(=O)C[N@H+]1CCNC(=O)CC1 ZINC000192966069 357862356 /nfs/dbraw/zinc/86/23/56/357862356.db2.gz ZHVJIOOLOJJLNX-SECBINFHSA-N 1 2 227.308 -0.277 20 0 BBADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000192966069 357862353 /nfs/dbraw/zinc/86/23/53/357862353.db2.gz ZHVJIOOLOJJLNX-SECBINFHSA-N 1 2 227.308 -0.277 20 0 BBADLO CC[C@H](C)NC(=O)C[N@H+]1CCNC(=O)CC1 ZINC000192966080 357862067 /nfs/dbraw/zinc/86/20/67/357862067.db2.gz ZHVJIOOLOJJLNX-VIFPVBQESA-N 1 2 227.308 -0.277 20 0 BBADLO CC[C@H](C)NC(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000192966080 357862062 /nfs/dbraw/zinc/86/20/62/357862062.db2.gz ZHVJIOOLOJJLNX-VIFPVBQESA-N 1 2 227.308 -0.277 20 0 BBADLO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1nnn(C)n1 ZINC000192978366 353576415 /nfs/dbraw/zinc/57/64/15/353576415.db2.gz SOPRNHAMKGCPBG-SFYZADRCSA-N 1 2 238.295 -0.704 20 0 BBADLO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1nnn(C)n1 ZINC000192978366 353576412 /nfs/dbraw/zinc/57/64/12/353576412.db2.gz SOPRNHAMKGCPBG-SFYZADRCSA-N 1 2 238.295 -0.704 20 0 BBADLO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1nnn(C)n1 ZINC000192978381 353576272 /nfs/dbraw/zinc/57/62/72/353576272.db2.gz SOPRNHAMKGCPBG-YUMQZZPRSA-N 1 2 238.295 -0.704 20 0 BBADLO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1nnn(C)n1 ZINC000192978381 353576268 /nfs/dbraw/zinc/57/62/68/353576268.db2.gz SOPRNHAMKGCPBG-YUMQZZPRSA-N 1 2 238.295 -0.704 20 0 BBADLO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1nnn(C)n1 ZINC000192978397 353576493 /nfs/dbraw/zinc/57/64/93/353576493.db2.gz SOPRNHAMKGCPBG-HTQZYQBOSA-N 1 2 238.295 -0.704 20 0 BBADLO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1nnn(C)n1 ZINC000192978397 353576491 /nfs/dbraw/zinc/57/64/91/353576491.db2.gz SOPRNHAMKGCPBG-HTQZYQBOSA-N 1 2 238.295 -0.704 20 0 BBADLO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1nnn(C)n1 ZINC000192978420 353576648 /nfs/dbraw/zinc/57/66/48/353576648.db2.gz SOPRNHAMKGCPBG-JGVFFNPUSA-N 1 2 238.295 -0.704 20 0 BBADLO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1nnn(C)n1 ZINC000192978420 353576647 /nfs/dbraw/zinc/57/66/47/353576647.db2.gz SOPRNHAMKGCPBG-JGVFFNPUSA-N 1 2 238.295 -0.704 20 0 BBADLO COCC[N@H+](CC(=O)OC)C[C@H](C)O ZINC000192982266 365895479 /nfs/dbraw/zinc/89/54/79/365895479.db2.gz IJHBLEZJOOSETF-QMMMGPOBSA-N 1 2 205.254 -0.511 20 0 BBADLO COCC[N@@H+](CC(=O)OC)C[C@H](C)O ZINC000192982266 365895476 /nfs/dbraw/zinc/89/54/76/365895476.db2.gz IJHBLEZJOOSETF-QMMMGPOBSA-N 1 2 205.254 -0.511 20 0 BBADLO COCC[N@H+](CC(=O)OC)C[C@@H](C)O ZINC000192982280 365895490 /nfs/dbraw/zinc/89/54/90/365895490.db2.gz IJHBLEZJOOSETF-MRVPVSSYSA-N 1 2 205.254 -0.511 20 0 BBADLO COCC[N@@H+](CC(=O)OC)C[C@@H](C)O ZINC000192982280 365895487 /nfs/dbraw/zinc/89/54/87/365895487.db2.gz IJHBLEZJOOSETF-MRVPVSSYSA-N 1 2 205.254 -0.511 20 0 BBADLO Cc1nnc([C@@H]2C[N@@H+](C[C@@H](C)O)CCO2)[nH]1 ZINC000192986198 386805825 /nfs/dbraw/zinc/80/58/25/386805825.db2.gz SSVDASBDTOKJIS-APPZFPTMSA-N 1 2 226.280 -0.133 20 0 BBADLO Cc1nnc([C@@H]2C[N@H+](C[C@@H](C)O)CCO2)[nH]1 ZINC000192986198 386805819 /nfs/dbraw/zinc/80/58/19/386805819.db2.gz SSVDASBDTOKJIS-APPZFPTMSA-N 1 2 226.280 -0.133 20 0 BBADLO Cc1nnc([C@H]2C[N@@H+](C[C@@H](C)O)CCO2)[nH]1 ZINC000192986212 386806344 /nfs/dbraw/zinc/80/63/44/386806344.db2.gz SSVDASBDTOKJIS-VXNVDRBHSA-N 1 2 226.280 -0.133 20 0 BBADLO Cc1nnc([C@H]2C[N@H+](C[C@@H](C)O)CCO2)[nH]1 ZINC000192986212 386806337 /nfs/dbraw/zinc/80/63/37/386806337.db2.gz SSVDASBDTOKJIS-VXNVDRBHSA-N 1 2 226.280 -0.133 20 0 BBADLO Cn1nnc(C[NH2+]C2(C(N)=O)CCCCC2)n1 ZINC000192997436 353571566 /nfs/dbraw/zinc/57/15/66/353571566.db2.gz YNEKDROTTDBVAY-UHFFFAOYSA-N 1 2 238.295 -0.512 20 0 BBADLO CN(C)C(=O)C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000193006805 357864082 /nfs/dbraw/zinc/86/40/82/357864082.db2.gz VPOLPHBKARRRCW-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CN(C)C(=O)C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000193006805 357864079 /nfs/dbraw/zinc/86/40/79/357864079.db2.gz VPOLPHBKARRRCW-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CN(C)C(=O)C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000193006815 357863812 /nfs/dbraw/zinc/86/38/12/357863812.db2.gz VPOLPHBKARRRCW-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO CN(C)C(=O)C[N@H+](C)[C@H]1CCCCNC1=O ZINC000193006815 357863806 /nfs/dbraw/zinc/86/38/06/357863806.db2.gz VPOLPHBKARRRCW-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO Cn1nnc(CSCC[NH+]2CCOCC2)n1 ZINC000193081343 353574141 /nfs/dbraw/zinc/57/41/41/353574141.db2.gz BIQPHQSRMWSRNR-UHFFFAOYSA-N 1 2 243.336 -0.225 20 0 BBADLO CCn1ncnc1C[N@@H+](C)CCC(=O)NC ZINC000193330869 386547423 /nfs/dbraw/zinc/54/74/23/386547423.db2.gz RYCWZWMUOFNONH-UHFFFAOYSA-N 1 2 225.296 -0.134 20 0 BBADLO CCn1ncnc1C[N@H+](C)CCC(=O)NC ZINC000193330869 386547415 /nfs/dbraw/zinc/54/74/15/386547415.db2.gz RYCWZWMUOFNONH-UHFFFAOYSA-N 1 2 225.296 -0.134 20 0 BBADLO CNC(=O)[C@@H]1CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000193368671 353587355 /nfs/dbraw/zinc/58/73/55/353587355.db2.gz MKIHYFVDWZYQHI-MRVPVSSYSA-N 1 2 238.295 -0.832 20 0 BBADLO CNC(=O)[C@@H]1CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000193368671 353587354 /nfs/dbraw/zinc/58/73/54/353587354.db2.gz MKIHYFVDWZYQHI-MRVPVSSYSA-N 1 2 238.295 -0.832 20 0 BBADLO CNC(=O)[C@H]1CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000193368682 353587320 /nfs/dbraw/zinc/58/73/20/353587320.db2.gz MKIHYFVDWZYQHI-QMMMGPOBSA-N 1 2 238.295 -0.832 20 0 BBADLO CNC(=O)[C@H]1CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000193368682 353587319 /nfs/dbraw/zinc/58/73/19/353587319.db2.gz MKIHYFVDWZYQHI-QMMMGPOBSA-N 1 2 238.295 -0.832 20 0 BBADLO CCn1ncnc1C[N@@H+](C)CC(C)(CO)CO ZINC000193411031 388703658 /nfs/dbraw/zinc/70/36/58/388703658.db2.gz LAGSCNXFNJMIHD-UHFFFAOYSA-N 1 2 242.323 -0.279 20 0 BBADLO CCn1ncnc1C[N@H+](C)CC(C)(CO)CO ZINC000193411031 388703656 /nfs/dbraw/zinc/70/36/56/388703656.db2.gz LAGSCNXFNJMIHD-UHFFFAOYSA-N 1 2 242.323 -0.279 20 0 BBADLO Cn1nnc(C[N@H+]2CCC[C@H](CC(N)=O)C2)n1 ZINC000193418721 357925313 /nfs/dbraw/zinc/92/53/13/357925313.db2.gz LPPSKENLWMIUAU-MRVPVSSYSA-N 1 2 238.295 -0.703 20 0 BBADLO Cn1nnc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)n1 ZINC000193418721 357925311 /nfs/dbraw/zinc/92/53/11/357925311.db2.gz LPPSKENLWMIUAU-MRVPVSSYSA-N 1 2 238.295 -0.703 20 0 BBADLO Cn1nnc(C[N@H+]2CCC[C@@H](CC(N)=O)C2)n1 ZINC000193418736 357925267 /nfs/dbraw/zinc/92/52/67/357925267.db2.gz LPPSKENLWMIUAU-QMMMGPOBSA-N 1 2 238.295 -0.703 20 0 BBADLO Cn1nnc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)n1 ZINC000193418736 357925264 /nfs/dbraw/zinc/92/52/64/357925264.db2.gz LPPSKENLWMIUAU-QMMMGPOBSA-N 1 2 238.295 -0.703 20 0 BBADLO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1nnn(C)n1 ZINC000193420470 353593163 /nfs/dbraw/zinc/59/31/63/353593163.db2.gz IDLRRUKSQCXPGU-ZETCQYMHSA-N 1 2 226.284 -0.976 20 0 BBADLO CNC(=O)[C@@H](C)C[N@H+](C)Cc1nnn(C)n1 ZINC000193420470 353593161 /nfs/dbraw/zinc/59/31/61/353593161.db2.gz IDLRRUKSQCXPGU-ZETCQYMHSA-N 1 2 226.284 -0.976 20 0 BBADLO CNC(=O)[C@H](C)C[N@@H+](C)Cc1nnn(C)n1 ZINC000193420484 353593217 /nfs/dbraw/zinc/59/32/17/353593217.db2.gz IDLRRUKSQCXPGU-SSDOTTSWSA-N 1 2 226.284 -0.976 20 0 BBADLO CNC(=O)[C@H](C)C[N@H+](C)Cc1nnn(C)n1 ZINC000193420484 353593215 /nfs/dbraw/zinc/59/32/15/353593215.db2.gz IDLRRUKSQCXPGU-SSDOTTSWSA-N 1 2 226.284 -0.976 20 0 BBADLO COC[C@@](C)(CCO)[NH2+]Cc1nnn(C)n1 ZINC000193431671 387166309 /nfs/dbraw/zinc/16/63/09/387166309.db2.gz KLJMSSWCEUXCRM-SECBINFHSA-N 1 2 229.284 -0.913 20 0 BBADLO COC[C@](C)(CCO)[NH2+]Cc1nnn(C)n1 ZINC000193431688 387167505 /nfs/dbraw/zinc/16/75/05/387167505.db2.gz KLJMSSWCEUXCRM-VIFPVBQESA-N 1 2 229.284 -0.913 20 0 BBADLO COC(=O)[C@@]1(C)CC[N@@H+](Cc2nnn(C)n2)C1 ZINC000193441452 353593225 /nfs/dbraw/zinc/59/32/25/353593225.db2.gz QWVIGEZLZIJRKJ-JTQLQIEISA-N 1 2 239.279 -0.405 20 0 BBADLO COC(=O)[C@@]1(C)CC[N@H+](Cc2nnn(C)n2)C1 ZINC000193441452 353593223 /nfs/dbraw/zinc/59/32/23/353593223.db2.gz QWVIGEZLZIJRKJ-JTQLQIEISA-N 1 2 239.279 -0.405 20 0 BBADLO COC(=O)[C@]1(C)CC[N@@H+](Cc2nnn(C)n2)C1 ZINC000193441461 353592742 /nfs/dbraw/zinc/59/27/42/353592742.db2.gz QWVIGEZLZIJRKJ-SNVBAGLBSA-N 1 2 239.279 -0.405 20 0 BBADLO COC(=O)[C@]1(C)CC[N@H+](Cc2nnn(C)n2)C1 ZINC000193441461 353592737 /nfs/dbraw/zinc/59/27/37/353592737.db2.gz QWVIGEZLZIJRKJ-SNVBAGLBSA-N 1 2 239.279 -0.405 20 0 BBADLO COC(=O)CC(C)(C)[NH2+]Cc1nnn(C)n1 ZINC000193470380 644245128 /nfs/dbraw/zinc/24/51/28/644245128.db2.gz PSRISJORSPKHMO-UHFFFAOYSA-N 1 2 227.268 -0.359 20 0 BBADLO COC(=O)C[C@H]1CCC[N@H+]1Cc1nnn(C)n1 ZINC000193470846 387436119 /nfs/dbraw/zinc/43/61/19/387436119.db2.gz LXKYLCKMRGAFRP-MRVPVSSYSA-N 1 2 239.279 -0.262 20 0 BBADLO COC(=O)C[C@H]1CCC[N@@H+]1Cc1nnn(C)n1 ZINC000193470846 387436114 /nfs/dbraw/zinc/43/61/14/387436114.db2.gz LXKYLCKMRGAFRP-MRVPVSSYSA-N 1 2 239.279 -0.262 20 0 BBADLO COC(=O)C[C@@H]1CCC[N@H+]1Cc1nnn(C)n1 ZINC000193470857 387435651 /nfs/dbraw/zinc/43/56/51/387435651.db2.gz LXKYLCKMRGAFRP-QMMMGPOBSA-N 1 2 239.279 -0.262 20 0 BBADLO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1nnn(C)n1 ZINC000193470857 387435645 /nfs/dbraw/zinc/43/56/45/387435645.db2.gz LXKYLCKMRGAFRP-QMMMGPOBSA-N 1 2 239.279 -0.262 20 0 BBADLO CNC(=O)CCC[N@@H+](C)Cc1nnn(C)n1 ZINC000193471877 173237381 /nfs/dbraw/zinc/23/73/81/173237381.db2.gz METZUTYFDKPGCY-UHFFFAOYSA-N 1 2 226.284 -0.832 20 0 BBADLO CNC(=O)CCC[N@H+](C)Cc1nnn(C)n1 ZINC000193471877 173237378 /nfs/dbraw/zinc/23/73/78/173237378.db2.gz METZUTYFDKPGCY-UHFFFAOYSA-N 1 2 226.284 -0.832 20 0 BBADLO Cn1nnc(C[NH2+][C@H](CO)C(C)(C)C)n1 ZINC000193480004 387502046 /nfs/dbraw/zinc/50/20/46/387502046.db2.gz YNOQYPOXFXOFIZ-SSDOTTSWSA-N 1 2 213.285 -0.293 20 0 BBADLO Cn1nnc(C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)n1 ZINC000193483192 353595396 /nfs/dbraw/zinc/59/53/96/353595396.db2.gz QTGSAOSGECGOMO-JGVFFNPUSA-N 1 2 238.295 -0.656 20 0 BBADLO Cn1nnc(C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)n1 ZINC000193483203 353595212 /nfs/dbraw/zinc/59/52/12/353595212.db2.gz QTGSAOSGECGOMO-YUMQZZPRSA-N 1 2 238.295 -0.656 20 0 BBADLO Cn1nnc(C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)n1 ZINC000193483211 353595490 /nfs/dbraw/zinc/59/54/90/353595490.db2.gz QTGSAOSGECGOMO-HTQZYQBOSA-N 1 2 238.295 -0.656 20 0 BBADLO Cn1nnc(C[NH2+][C@H]2CCCC[C@H]2C(N)=O)n1 ZINC000193483224 353595531 /nfs/dbraw/zinc/59/55/31/353595531.db2.gz QTGSAOSGECGOMO-SFYZADRCSA-N 1 2 238.295 -0.656 20 0 BBADLO Cn1nnc(C[NH+]2CCC(C)(CO)CC2)n1 ZINC000193484059 357177427 /nfs/dbraw/zinc/17/74/27/357177427.db2.gz KTWLSKIWYFTGBQ-UHFFFAOYSA-N 1 2 225.296 -0.196 20 0 BBADLO Cn1nnc(C[N@@H+](CC(C)(C)O)C2CC2)n1 ZINC000193487826 353595541 /nfs/dbraw/zinc/59/55/41/353595541.db2.gz JITNBXYPWWIVIC-UHFFFAOYSA-N 1 2 225.296 -0.055 20 0 BBADLO Cn1nnc(C[N@H+](CC(C)(C)O)C2CC2)n1 ZINC000193487826 353595538 /nfs/dbraw/zinc/59/55/38/353595538.db2.gz JITNBXYPWWIVIC-UHFFFAOYSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1nnn(C)n1 ZINC000193489967 177065867 /nfs/dbraw/zinc/06/58/67/177065867.db2.gz QYYWOTAGUXUNET-YUMQZZPRSA-N 1 2 225.296 -0.056 20 0 BBADLO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1nnn(C)n1 ZINC000193489977 353595481 /nfs/dbraw/zinc/59/54/81/353595481.db2.gz QYYWOTAGUXUNET-HTQZYQBOSA-N 1 2 225.296 -0.056 20 0 BBADLO CC[C@]1(CO)CCC[N@H+]1Cc1nnn(C)n1 ZINC000193491311 385398742 /nfs/dbraw/zinc/39/87/42/385398742.db2.gz GQHREIVVAOZHCM-SNVBAGLBSA-N 1 2 225.296 -0.053 20 0 BBADLO CC[C@]1(CO)CCC[N@@H+]1Cc1nnn(C)n1 ZINC000193491311 385398740 /nfs/dbraw/zinc/39/87/40/385398740.db2.gz GQHREIVVAOZHCM-SNVBAGLBSA-N 1 2 225.296 -0.053 20 0 BBADLO CC[C@@]1(CO)CCC[N@H+]1Cc1nnn(C)n1 ZINC000193491324 385398343 /nfs/dbraw/zinc/39/83/43/385398343.db2.gz GQHREIVVAOZHCM-JTQLQIEISA-N 1 2 225.296 -0.053 20 0 BBADLO CC[C@@]1(CO)CCC[N@@H+]1Cc1nnn(C)n1 ZINC000193491324 385398340 /nfs/dbraw/zinc/39/83/40/385398340.db2.gz GQHREIVVAOZHCM-JTQLQIEISA-N 1 2 225.296 -0.053 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1CO ZINC000193493410 387577515 /nfs/dbraw/zinc/57/75/15/387577515.db2.gz XELQSKRONDQUHE-SFYZADRCSA-N 1 2 211.269 -0.730 20 0 BBADLO C[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1CO ZINC000193493410 387577511 /nfs/dbraw/zinc/57/75/11/387577511.db2.gz XELQSKRONDQUHE-SFYZADRCSA-N 1 2 211.269 -0.730 20 0 BBADLO CC[N@@H+](CCOC)CCS(C)(=O)=O ZINC000193525975 644251499 /nfs/dbraw/zinc/25/14/99/644251499.db2.gz GPZMQYSAERRVMK-UHFFFAOYSA-N 1 2 209.311 -0.001 20 0 BBADLO CC[N@H+](CCOC)CCS(C)(=O)=O ZINC000193525975 644251494 /nfs/dbraw/zinc/25/14/94/644251494.db2.gz GPZMQYSAERRVMK-UHFFFAOYSA-N 1 2 209.311 -0.001 20 0 BBADLO COC(=O)CNC(=O)C[N@H+]1CCOC(C)(C)C1 ZINC000193565762 353601819 /nfs/dbraw/zinc/60/18/19/353601819.db2.gz SZUPVTHPKNMTIT-UHFFFAOYSA-N 1 2 244.291 -0.614 20 0 BBADLO COC(=O)CNC(=O)C[N@@H+]1CCOC(C)(C)C1 ZINC000193565762 353601815 /nfs/dbraw/zinc/60/18/15/353601815.db2.gz SZUPVTHPKNMTIT-UHFFFAOYSA-N 1 2 244.291 -0.614 20 0 BBADLO C=Cn1cc(CN2CC[NH+](CC(N)=O)CC2)cn1 ZINC000193649777 188351608 /nfs/dbraw/zinc/35/16/08/188351608.db2.gz FJTPNJOPDPUOOU-UHFFFAOYSA-N 1 2 249.318 -0.414 20 0 BBADLO C=Cn1cc(C[NH+]2CCN(CC(N)=O)CC2)cn1 ZINC000193649777 188351606 /nfs/dbraw/zinc/35/16/06/188351606.db2.gz FJTPNJOPDPUOOU-UHFFFAOYSA-N 1 2 249.318 -0.414 20 0 BBADLO CCn1ncnc1C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000193652395 172283270 /nfs/dbraw/zinc/28/32/70/172283270.db2.gz FPDMGLCLFYMIMA-PSASIEDQSA-N 1 2 237.307 -0.088 20 0 BBADLO CCn1ncnc1C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000193652414 135597624 /nfs/dbraw/zinc/59/76/24/135597624.db2.gz FPDMGLCLFYMIMA-SCZZXKLOSA-N 1 2 237.307 -0.088 20 0 BBADLO CCn1ncnc1C[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000193652425 353597418 /nfs/dbraw/zinc/59/74/18/353597418.db2.gz FPDMGLCLFYMIMA-WCBMZHEXSA-N 1 2 237.307 -0.088 20 0 BBADLO CCn1ncnc1C[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000193652440 353597336 /nfs/dbraw/zinc/59/73/36/353597336.db2.gz FPDMGLCLFYMIMA-WPRPVWTQSA-N 1 2 237.307 -0.088 20 0 BBADLO CCc1nnc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)[nH]1 ZINC000193662093 347400300 /nfs/dbraw/zinc/40/03/00/347400300.db2.gz ODQJGYVSKGCGFK-GMSGAONNSA-N 1 2 237.307 -0.019 20 0 BBADLO CCc1nnc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)[nH]1 ZINC000193662107 347400695 /nfs/dbraw/zinc/40/06/95/347400695.db2.gz ODQJGYVSKGCGFK-XCBNKYQSSA-N 1 2 237.307 -0.019 20 0 BBADLO CCc1nnc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)[nH]1 ZINC000193662120 347400678 /nfs/dbraw/zinc/40/06/78/347400678.db2.gz ODQJGYVSKGCGFK-OIBJUYFYSA-N 1 2 237.307 -0.019 20 0 BBADLO CCc1nnc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)[nH]1 ZINC000193662128 347400065 /nfs/dbraw/zinc/40/00/65/347400065.db2.gz ODQJGYVSKGCGFK-XVKPBYJWSA-N 1 2 237.307 -0.019 20 0 BBADLO OCCOCC[N@H+]1CCOC[C@]12CCOC2 ZINC000193670092 353598052 /nfs/dbraw/zinc/59/80/52/353598052.db2.gz SKXSVXMDBPESCW-LLVKDONJSA-N 1 2 231.292 -0.513 20 0 BBADLO OCCOCC[N@@H+]1CCOC[C@]12CCOC2 ZINC000193670092 353598051 /nfs/dbraw/zinc/59/80/51/353598051.db2.gz SKXSVXMDBPESCW-LLVKDONJSA-N 1 2 231.292 -0.513 20 0 BBADLO OCCOCC[N@H+]1CCOC[C@@]12CCOC2 ZINC000193670106 183083594 /nfs/dbraw/zinc/08/35/94/183083594.db2.gz SKXSVXMDBPESCW-NSHDSACASA-N 1 2 231.292 -0.513 20 0 BBADLO OCCOCC[N@@H+]1CCOC[C@@]12CCOC2 ZINC000193670106 183083591 /nfs/dbraw/zinc/08/35/91/183083591.db2.gz SKXSVXMDBPESCW-NSHDSACASA-N 1 2 231.292 -0.513 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)CO ZINC000193685632 644272483 /nfs/dbraw/zinc/27/24/83/644272483.db2.gz TXNSYBLAPCYQCZ-QMMMGPOBSA-N 1 2 203.238 -0.757 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)OC(=O)CO ZINC000193685645 644272474 /nfs/dbraw/zinc/27/24/74/644272474.db2.gz TXNSYBLAPCYQCZ-MRVPVSSYSA-N 1 2 203.238 -0.757 20 0 BBADLO COC(=O)CNC(=O)C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000193707519 353598368 /nfs/dbraw/zinc/59/83/68/353598368.db2.gz JIUVKECELRVPIE-RKDXNWHRSA-N 1 2 244.291 -0.615 20 0 BBADLO COC(=O)CNC(=O)C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000193707519 353598364 /nfs/dbraw/zinc/59/83/64/353598364.db2.gz JIUVKECELRVPIE-RKDXNWHRSA-N 1 2 244.291 -0.615 20 0 BBADLO COC(=O)CNC(=O)C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000193707539 353598525 /nfs/dbraw/zinc/59/85/25/353598525.db2.gz JIUVKECELRVPIE-BDAKNGLRSA-N 1 2 244.291 -0.615 20 0 BBADLO COC(=O)CNC(=O)C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000193707539 353598521 /nfs/dbraw/zinc/59/85/21/353598521.db2.gz JIUVKECELRVPIE-BDAKNGLRSA-N 1 2 244.291 -0.615 20 0 BBADLO COC(=O)C[N@@H+](C)CCC(=O)N1CCOCC1 ZINC000193741051 353600190 /nfs/dbraw/zinc/60/01/90/353600190.db2.gz HLMICWVRGDFZIQ-UHFFFAOYSA-N 1 2 244.291 -0.660 20 0 BBADLO COC(=O)C[N@H+](C)CCC(=O)N1CCOCC1 ZINC000193741051 353600186 /nfs/dbraw/zinc/60/01/86/353600186.db2.gz HLMICWVRGDFZIQ-UHFFFAOYSA-N 1 2 244.291 -0.660 20 0 BBADLO COC(=O)C[N@@H+](C)C[C@H](O)Cn1cccn1 ZINC000193741480 367207686 /nfs/dbraw/zinc/20/76/86/367207686.db2.gz SFWTXEZQZPGUBQ-VIFPVBQESA-N 1 2 227.264 -0.651 20 0 BBADLO COC(=O)C[N@H+](C)C[C@H](O)Cn1cccn1 ZINC000193741480 367207684 /nfs/dbraw/zinc/20/76/84/367207684.db2.gz SFWTXEZQZPGUBQ-VIFPVBQESA-N 1 2 227.264 -0.651 20 0 BBADLO COC(=O)C[N@@H+](C)C[C@@H](O)Cn1cccn1 ZINC000193741496 367207578 /nfs/dbraw/zinc/20/75/78/367207578.db2.gz SFWTXEZQZPGUBQ-SECBINFHSA-N 1 2 227.264 -0.651 20 0 BBADLO COC(=O)C[N@H+](C)C[C@@H](O)Cn1cccn1 ZINC000193741496 367207575 /nfs/dbraw/zinc/20/75/75/367207575.db2.gz SFWTXEZQZPGUBQ-SECBINFHSA-N 1 2 227.264 -0.651 20 0 BBADLO CNc1[nH+]cnc2c1cnn2C[C@@H](O)COC ZINC000193754802 387805003 /nfs/dbraw/zinc/80/50/03/387805003.db2.gz NXCQPMZVHWBUDX-SSDOTTSWSA-N 1 2 237.263 -0.125 20 0 BBADLO CNc1[nH+]cnc2c1cnn2C[C@H](O)COC ZINC000193755419 219952531 /nfs/dbraw/zinc/95/25/31/219952531.db2.gz NXCQPMZVHWBUDX-ZETCQYMHSA-N 1 2 237.263 -0.125 20 0 BBADLO C[C@H](CO)CNC(=O)NCCn1cc[nH+]c1 ZINC000193789785 135604475 /nfs/dbraw/zinc/60/44/75/135604475.db2.gz HDKKXBWZTSKGKL-VIFPVBQESA-N 1 2 226.280 -0.189 20 0 BBADLO C[C@@H](CO)CNC(=O)NCCn1cc[nH+]c1 ZINC000193789797 353608798 /nfs/dbraw/zinc/60/87/98/353608798.db2.gz HDKKXBWZTSKGKL-SECBINFHSA-N 1 2 226.280 -0.189 20 0 BBADLO C=Cn1cc(C[N@H+]2CCO[C@H](C(N)=O)C2)cn1 ZINC000193830346 188175620 /nfs/dbraw/zinc/17/56/20/188175620.db2.gz LKYIZJIAKXYJQI-JTQLQIEISA-N 1 2 236.275 -0.330 20 0 BBADLO C=Cn1cc(C[N@@H+]2CCO[C@H](C(N)=O)C2)cn1 ZINC000193830346 188175618 /nfs/dbraw/zinc/17/56/18/188175618.db2.gz LKYIZJIAKXYJQI-JTQLQIEISA-N 1 2 236.275 -0.330 20 0 BBADLO C=Cn1cc(C[N@H+]2CCO[C@@H](C(N)=O)C2)cn1 ZINC000193830363 187315291 /nfs/dbraw/zinc/31/52/91/187315291.db2.gz LKYIZJIAKXYJQI-SNVBAGLBSA-N 1 2 236.275 -0.330 20 0 BBADLO C=Cn1cc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)cn1 ZINC000193830363 187315289 /nfs/dbraw/zinc/31/52/89/187315289.db2.gz LKYIZJIAKXYJQI-SNVBAGLBSA-N 1 2 236.275 -0.330 20 0 BBADLO COC(=O)CNC(=O)C[NH+]1CCSCC1 ZINC000193860521 353604406 /nfs/dbraw/zinc/60/44/06/353604406.db2.gz AJNIGJUZHCIGIO-UHFFFAOYSA-N 1 2 232.305 -0.676 20 0 BBADLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)NC(C)C ZINC000193972351 387813548 /nfs/dbraw/zinc/81/35/48/387813548.db2.gz DVEWCTHQIIXCER-SECBINFHSA-N 1 2 227.308 -0.279 20 0 BBADLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)NC(C)C ZINC000193972351 387813546 /nfs/dbraw/zinc/81/35/46/387813546.db2.gz DVEWCTHQIIXCER-SECBINFHSA-N 1 2 227.308 -0.279 20 0 BBADLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)NC(C)C ZINC000193972368 387814595 /nfs/dbraw/zinc/81/45/95/387814595.db2.gz DVEWCTHQIIXCER-VIFPVBQESA-N 1 2 227.308 -0.279 20 0 BBADLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)NC(C)C ZINC000193972368 387814590 /nfs/dbraw/zinc/81/45/90/387814590.db2.gz DVEWCTHQIIXCER-VIFPVBQESA-N 1 2 227.308 -0.279 20 0 BBADLO CC[N@@H+](CC(=O)NCCS(C)(=O)=O)C1CC1 ZINC000194160422 644304068 /nfs/dbraw/zinc/30/40/68/644304068.db2.gz JDPZUXJAIUWSKA-UHFFFAOYSA-N 1 2 248.348 -0.369 20 0 BBADLO CC[N@H+](CC(=O)NCCS(C)(=O)=O)C1CC1 ZINC000194160422 644304063 /nfs/dbraw/zinc/30/40/63/644304063.db2.gz JDPZUXJAIUWSKA-UHFFFAOYSA-N 1 2 248.348 -0.369 20 0 BBADLO C[C@@H](CNC(=O)c1cn[nH]n1)[NH+]1CCOCC1 ZINC000194170783 353626524 /nfs/dbraw/zinc/62/65/24/353626524.db2.gz CHPHRAFTMNLMHR-QMMMGPOBSA-N 1 2 239.279 -0.745 20 0 BBADLO C[C@H](CNC(=O)c1cn[nH]n1)[NH+]1CCOCC1 ZINC000194170797 353626953 /nfs/dbraw/zinc/62/69/53/353626953.db2.gz CHPHRAFTMNLMHR-MRVPVSSYSA-N 1 2 239.279 -0.745 20 0 BBADLO C[C@@H](CNC(=O)c1cn[nH]c1)[NH+]1CCOCC1 ZINC000194180815 135618271 /nfs/dbraw/zinc/61/82/71/135618271.db2.gz DCCKHJHZGXBPJX-VIFPVBQESA-N 1 2 238.291 -0.140 20 0 BBADLO C[C@H](CNC(=O)c1cn[nH]c1)[NH+]1CCOCC1 ZINC000194180829 353629591 /nfs/dbraw/zinc/62/95/91/353629591.db2.gz DCCKHJHZGXBPJX-SECBINFHSA-N 1 2 238.291 -0.140 20 0 BBADLO COC[C@H]([NH2+]Cc1nnn(C)n1)C1CC1 ZINC000194289541 360599905 /nfs/dbraw/zinc/59/99/05/360599905.db2.gz LMHXJSXVZCWZKW-QMMMGPOBSA-N 1 2 211.269 -0.275 20 0 BBADLO COC[C@@H]([NH2+]Cc1nnn(C)n1)C1CC1 ZINC000194289554 360599208 /nfs/dbraw/zinc/59/92/08/360599208.db2.gz LMHXJSXVZCWZKW-MRVPVSSYSA-N 1 2 211.269 -0.275 20 0 BBADLO C[C@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCCO1 ZINC000194425844 388018626 /nfs/dbraw/zinc/01/86/26/388018626.db2.gz QGMQFEFEOXGXPK-YUMQZZPRSA-N 1 2 211.269 -0.133 20 0 BBADLO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCCO1 ZINC000194425860 388018119 /nfs/dbraw/zinc/01/81/19/388018119.db2.gz QGMQFEFEOXGXPK-SFYZADRCSA-N 1 2 211.269 -0.133 20 0 BBADLO C[C@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCCO1 ZINC000194425873 388018125 /nfs/dbraw/zinc/01/81/25/388018125.db2.gz QGMQFEFEOXGXPK-JGVFFNPUSA-N 1 2 211.269 -0.133 20 0 BBADLO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCCO1 ZINC000194425882 388017852 /nfs/dbraw/zinc/01/78/52/388017852.db2.gz QGMQFEFEOXGXPK-HTQZYQBOSA-N 1 2 211.269 -0.133 20 0 BBADLO Cn1nnc(C[NH2+]C2(CO)CCCC2)n1 ZINC000194426408 388018336 /nfs/dbraw/zinc/01/83/36/388018336.db2.gz RTDNMAMBYQHPNL-UHFFFAOYSA-N 1 2 211.269 -0.395 20 0 BBADLO Cn1nnc(C[N@H+]2CCC[C@H](CO)C2)n1 ZINC000194429710 361268614 /nfs/dbraw/zinc/26/86/14/361268614.db2.gz NKNNPOBKNFITAI-QMMMGPOBSA-N 1 2 211.269 -0.586 20 0 BBADLO Cn1nnc(C[N@@H+]2CCC[C@H](CO)C2)n1 ZINC000194429710 361268610 /nfs/dbraw/zinc/26/86/10/361268610.db2.gz NKNNPOBKNFITAI-QMMMGPOBSA-N 1 2 211.269 -0.586 20 0 BBADLO Cn1nnc(C[N@H+]2CCC[C@@H](CO)C2)n1 ZINC000194429726 361269074 /nfs/dbraw/zinc/26/90/74/361269074.db2.gz NKNNPOBKNFITAI-MRVPVSSYSA-N 1 2 211.269 -0.586 20 0 BBADLO Cn1nnc(C[N@@H+]2CCC[C@@H](CO)C2)n1 ZINC000194429726 361269068 /nfs/dbraw/zinc/26/90/68/361269068.db2.gz NKNNPOBKNFITAI-MRVPVSSYSA-N 1 2 211.269 -0.586 20 0 BBADLO Cn1nnc(C[N@H+]2CCCC[C@@H]2CCO)n1 ZINC000194429762 353648220 /nfs/dbraw/zinc/64/82/20/353648220.db2.gz ZKEOLXBILTVQCC-SECBINFHSA-N 1 2 225.296 -0.053 20 0 BBADLO Cn1nnc(C[N@@H+]2CCCC[C@@H]2CCO)n1 ZINC000194429762 353648219 /nfs/dbraw/zinc/64/82/19/353648219.db2.gz ZKEOLXBILTVQCC-SECBINFHSA-N 1 2 225.296 -0.053 20 0 BBADLO Cn1nnc(C[N@H+]2CCCC[C@H]2CCO)n1 ZINC000194429776 353647789 /nfs/dbraw/zinc/64/77/89/353647789.db2.gz ZKEOLXBILTVQCC-VIFPVBQESA-N 1 2 225.296 -0.053 20 0 BBADLO Cn1nnc(C[N@@H+]2CCCC[C@H]2CCO)n1 ZINC000194429776 353647786 /nfs/dbraw/zinc/64/77/86/353647786.db2.gz ZKEOLXBILTVQCC-VIFPVBQESA-N 1 2 225.296 -0.053 20 0 BBADLO CCCC[N@@H+](CCO)Cc1nnn(C)n1 ZINC000194429796 388022137 /nfs/dbraw/zinc/02/21/37/388022137.db2.gz PEEBTJRLSDCUEW-UHFFFAOYSA-N 1 2 213.285 -0.196 20 0 BBADLO CCCC[N@H+](CCO)Cc1nnn(C)n1 ZINC000194429796 388022133 /nfs/dbraw/zinc/02/21/33/388022133.db2.gz PEEBTJRLSDCUEW-UHFFFAOYSA-N 1 2 213.285 -0.196 20 0 BBADLO CC[N@@H+](Cc1nnn(C)n1)CC(C)(C)O ZINC000194429976 361257149 /nfs/dbraw/zinc/25/71/49/361257149.db2.gz XFBFOSRTRGRTAJ-UHFFFAOYSA-N 1 2 213.285 -0.197 20 0 BBADLO CC[N@H+](Cc1nnn(C)n1)CC(C)(C)O ZINC000194429976 361257146 /nfs/dbraw/zinc/25/71/46/361257146.db2.gz XFBFOSRTRGRTAJ-UHFFFAOYSA-N 1 2 213.285 -0.197 20 0 BBADLO Cn1nnc(C[N@H+]2CCC[C@](C)(O)C2)n1 ZINC000194430116 388022099 /nfs/dbraw/zinc/02/20/99/388022099.db2.gz RIVZQNCCRZFJPB-VIFPVBQESA-N 1 2 211.269 -0.443 20 0 BBADLO Cn1nnc(C[N@@H+]2CCC[C@](C)(O)C2)n1 ZINC000194430116 388022097 /nfs/dbraw/zinc/02/20/97/388022097.db2.gz RIVZQNCCRZFJPB-VIFPVBQESA-N 1 2 211.269 -0.443 20 0 BBADLO Cn1nnc(C[N@H+]2CCC[C@@](C)(O)C2)n1 ZINC000194430129 361256829 /nfs/dbraw/zinc/25/68/29/361256829.db2.gz RIVZQNCCRZFJPB-SECBINFHSA-N 1 2 211.269 -0.443 20 0 BBADLO Cn1nnc(C[N@@H+]2CCC[C@@](C)(O)C2)n1 ZINC000194430129 361256825 /nfs/dbraw/zinc/25/68/25/361256825.db2.gz RIVZQNCCRZFJPB-SECBINFHSA-N 1 2 211.269 -0.443 20 0 BBADLO Cn1nnc(C[N@@H+](C)CC2(O)CCCC2)n1 ZINC000194430193 566492833 /nfs/dbraw/zinc/49/28/33/566492833.db2.gz KCENLGZFIPEROB-UHFFFAOYSA-N 1 2 225.296 -0.053 20 0 BBADLO Cn1nnc(C[N@H+](C)CC2(O)CCCC2)n1 ZINC000194430193 566492827 /nfs/dbraw/zinc/49/28/27/566492827.db2.gz KCENLGZFIPEROB-UHFFFAOYSA-N 1 2 225.296 -0.053 20 0 BBADLO C[C@@H]1CC[N@@H+](Cc2nnn(C)n2)[C@@H]1CO ZINC000194430228 206091404 /nfs/dbraw/zinc/09/14/04/206091404.db2.gz HLCYSVYQTWBMBL-HTQZYQBOSA-N 1 2 211.269 -0.587 20 0 BBADLO C[C@@H]1CC[N@H+](Cc2nnn(C)n2)[C@@H]1CO ZINC000194430228 206091401 /nfs/dbraw/zinc/09/14/01/206091401.db2.gz HLCYSVYQTWBMBL-HTQZYQBOSA-N 1 2 211.269 -0.587 20 0 BBADLO C[C@H]1CC[N@@H+](Cc2nnn(C)n2)[C@@H]1CO ZINC000194430245 206091650 /nfs/dbraw/zinc/09/16/50/206091650.db2.gz HLCYSVYQTWBMBL-JGVFFNPUSA-N 1 2 211.269 -0.587 20 0 BBADLO C[C@H]1CC[N@H+](Cc2nnn(C)n2)[C@@H]1CO ZINC000194430245 206091646 /nfs/dbraw/zinc/09/16/46/206091646.db2.gz HLCYSVYQTWBMBL-JGVFFNPUSA-N 1 2 211.269 -0.587 20 0 BBADLO COC(=O)CCCNC(=O)Cn1cc[nH+]c1 ZINC000194432725 367289888 /nfs/dbraw/zinc/28/98/88/367289888.db2.gz QSRFCNWPDPRKNV-UHFFFAOYSA-N 1 2 225.248 -0.048 20 0 BBADLO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1nnn(C)n1 ZINC000194435176 177008771 /nfs/dbraw/zinc/00/87/71/177008771.db2.gz HRTLLBNDLWKQQE-IUCAKERBSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1nnn(C)n1 ZINC000194435176 177008770 /nfs/dbraw/zinc/00/87/70/177008770.db2.gz HRTLLBNDLWKQQE-IUCAKERBSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1nnn(C)n1 ZINC000194435191 387418800 /nfs/dbraw/zinc/41/88/00/387418800.db2.gz HRTLLBNDLWKQQE-BDAKNGLRSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1nnn(C)n1 ZINC000194435191 387418796 /nfs/dbraw/zinc/41/87/96/387418796.db2.gz HRTLLBNDLWKQQE-BDAKNGLRSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@H](O)[C@H]1CCCC[N@H+]1Cc1nnn(C)n1 ZINC000194435199 177014715 /nfs/dbraw/zinc/01/47/15/177014715.db2.gz HRTLLBNDLWKQQE-DTWKUNHWSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1nnn(C)n1 ZINC000194435199 177014714 /nfs/dbraw/zinc/01/47/14/177014714.db2.gz HRTLLBNDLWKQQE-DTWKUNHWSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1nnn(C)n1 ZINC000194435214 385435856 /nfs/dbraw/zinc/43/58/56/385435856.db2.gz HRTLLBNDLWKQQE-RKDXNWHRSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1nnn(C)n1 ZINC000194435214 385435853 /nfs/dbraw/zinc/43/58/53/385435853.db2.gz HRTLLBNDLWKQQE-RKDXNWHRSA-N 1 2 225.296 -0.055 20 0 BBADLO Cn1nnc(C[N@@H+](C)C[C@@H]2CCOC2)n1 ZINC000194439745 566492780 /nfs/dbraw/zinc/49/27/80/566492780.db2.gz KXPSQPSBSWBJKN-QMMMGPOBSA-N 1 2 211.269 -0.322 20 0 BBADLO Cn1nnc(C[N@H+](C)C[C@@H]2CCOC2)n1 ZINC000194439745 566492777 /nfs/dbraw/zinc/49/27/77/566492777.db2.gz KXPSQPSBSWBJKN-QMMMGPOBSA-N 1 2 211.269 -0.322 20 0 BBADLO Cn1nnc(C[N@@H+](C)C[C@H]2CCOC2)n1 ZINC000194439763 566492980 /nfs/dbraw/zinc/49/29/80/566492980.db2.gz KXPSQPSBSWBJKN-MRVPVSSYSA-N 1 2 211.269 -0.322 20 0 BBADLO Cn1nnc(C[N@H+](C)C[C@H]2CCOC2)n1 ZINC000194439763 566492972 /nfs/dbraw/zinc/49/29/72/566492972.db2.gz KXPSQPSBSWBJKN-MRVPVSSYSA-N 1 2 211.269 -0.322 20 0 BBADLO CN(CCCn1cc[nH+]c1)Cc1nnn(C)n1 ZINC000194440823 385435120 /nfs/dbraw/zinc/43/51/20/385435120.db2.gz FPCAMCXKUOZCIS-UHFFFAOYSA-N 1 2 235.295 -0.071 20 0 BBADLO C[C@@H]1CCC[C@H](CO)[N@H+]1Cc1nnn(C)n1 ZINC000194441246 176139329 /nfs/dbraw/zinc/13/93/29/176139329.db2.gz OGUSVSAECVPMAT-RKDXNWHRSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@@H]1CCC[C@H](CO)[N@@H+]1Cc1nnn(C)n1 ZINC000194441246 176139328 /nfs/dbraw/zinc/13/93/28/176139328.db2.gz OGUSVSAECVPMAT-RKDXNWHRSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@H]1CCC[C@H](CO)[N@H+]1Cc1nnn(C)n1 ZINC000194441257 177134643 /nfs/dbraw/zinc/13/46/43/177134643.db2.gz OGUSVSAECVPMAT-DTWKUNHWSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@H]1CCC[C@H](CO)[N@@H+]1Cc1nnn(C)n1 ZINC000194441257 177134640 /nfs/dbraw/zinc/13/46/40/177134640.db2.gz OGUSVSAECVPMAT-DTWKUNHWSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@@H]1CCC[C@@H](CO)[N@H+]1Cc1nnn(C)n1 ZINC000194441266 176119756 /nfs/dbraw/zinc/11/97/56/176119756.db2.gz OGUSVSAECVPMAT-BDAKNGLRSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@@H]1CCC[C@@H](CO)[N@@H+]1Cc1nnn(C)n1 ZINC000194441266 176119754 /nfs/dbraw/zinc/11/97/54/176119754.db2.gz OGUSVSAECVPMAT-BDAKNGLRSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@H]1CCC[C@@H](CO)[N@H+]1Cc1nnn(C)n1 ZINC000194441279 177120394 /nfs/dbraw/zinc/12/03/94/177120394.db2.gz OGUSVSAECVPMAT-IUCAKERBSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@H]1CCC[C@@H](CO)[N@@H+]1Cc1nnn(C)n1 ZINC000194441279 177120393 /nfs/dbraw/zinc/12/03/93/177120393.db2.gz OGUSVSAECVPMAT-IUCAKERBSA-N 1 2 225.296 -0.055 20 0 BBADLO Cn1nnc(C[N@H+]2CCC[C@H]2C(C)(C)O)n1 ZINC000194441358 206091036 /nfs/dbraw/zinc/09/10/36/206091036.db2.gz QLSPPEQIFBIBHG-QMMMGPOBSA-N 1 2 225.296 -0.055 20 0 BBADLO Cn1nnc(C[N@@H+]2CCC[C@H]2C(C)(C)O)n1 ZINC000194441358 206091033 /nfs/dbraw/zinc/09/10/33/206091033.db2.gz QLSPPEQIFBIBHG-QMMMGPOBSA-N 1 2 225.296 -0.055 20 0 BBADLO Cn1nnc(C[N@H+]2CCC[C@@H]2C(C)(C)O)n1 ZINC000194441369 206090893 /nfs/dbraw/zinc/09/08/93/206090893.db2.gz QLSPPEQIFBIBHG-MRVPVSSYSA-N 1 2 225.296 -0.055 20 0 BBADLO Cn1nnc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)n1 ZINC000194441369 206090888 /nfs/dbraw/zinc/09/08/88/206090888.db2.gz QLSPPEQIFBIBHG-MRVPVSSYSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1nnn(C)n1 ZINC000194441542 206091857 /nfs/dbraw/zinc/09/18/57/206091857.db2.gz BJCMXOAWUZKOCK-IUCAKERBSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1nnn(C)n1 ZINC000194441542 206091856 /nfs/dbraw/zinc/09/18/56/206091856.db2.gz BJCMXOAWUZKOCK-IUCAKERBSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1nnn(C)n1 ZINC000194441555 206091215 /nfs/dbraw/zinc/09/12/15/206091215.db2.gz BJCMXOAWUZKOCK-BDAKNGLRSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1nnn(C)n1 ZINC000194441555 206091213 /nfs/dbraw/zinc/09/12/13/206091213.db2.gz BJCMXOAWUZKOCK-BDAKNGLRSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1nnn(C)n1 ZINC000194441568 206089746 /nfs/dbraw/zinc/08/97/46/206089746.db2.gz BJCMXOAWUZKOCK-DTWKUNHWSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1nnn(C)n1 ZINC000194441568 206089741 /nfs/dbraw/zinc/08/97/41/206089741.db2.gz BJCMXOAWUZKOCK-DTWKUNHWSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1nnn(C)n1 ZINC000194441581 206089944 /nfs/dbraw/zinc/08/99/44/206089944.db2.gz BJCMXOAWUZKOCK-RKDXNWHRSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1nnn(C)n1 ZINC000194441581 206089939 /nfs/dbraw/zinc/08/99/39/206089939.db2.gz BJCMXOAWUZKOCK-RKDXNWHRSA-N 1 2 225.296 -0.055 20 0 BBADLO Cn1cc([C@@H]2CC[N@@H+](Cc3nnn(C)n3)C2)cn1 ZINC000194445823 353663058 /nfs/dbraw/zinc/66/30/58/353663058.db2.gz VVRKGIVPFWATRN-SECBINFHSA-N 1 2 247.306 -0.067 20 0 BBADLO Cn1cc([C@@H]2CC[N@H+](Cc3nnn(C)n3)C2)cn1 ZINC000194445823 353663057 /nfs/dbraw/zinc/66/30/57/353663057.db2.gz VVRKGIVPFWATRN-SECBINFHSA-N 1 2 247.306 -0.067 20 0 BBADLO Cn1cc([C@H]2CC[N@@H+](Cc3nnn(C)n3)C2)cn1 ZINC000194445835 353663044 /nfs/dbraw/zinc/66/30/44/353663044.db2.gz VVRKGIVPFWATRN-VIFPVBQESA-N 1 2 247.306 -0.067 20 0 BBADLO Cn1cc([C@H]2CC[N@H+](Cc3nnn(C)n3)C2)cn1 ZINC000194445835 353663043 /nfs/dbraw/zinc/66/30/43/353663043.db2.gz VVRKGIVPFWATRN-VIFPVBQESA-N 1 2 247.306 -0.067 20 0 BBADLO Cn1nnc(C[N@H+]2CC[C@]3(CCOC3)C2)n1 ZINC000194447863 566492585 /nfs/dbraw/zinc/49/25/85/566492585.db2.gz QGBVBETUSBYJLN-JTQLQIEISA-N 1 2 223.280 -0.178 20 0 BBADLO Cn1nnc(C[N@@H+]2CC[C@]3(CCOC3)C2)n1 ZINC000194447863 566492576 /nfs/dbraw/zinc/49/25/76/566492576.db2.gz QGBVBETUSBYJLN-JTQLQIEISA-N 1 2 223.280 -0.178 20 0 BBADLO Cn1nnc(C[N@H+]2CC[C@@]3(CCOC3)C2)n1 ZINC000194447882 566493058 /nfs/dbraw/zinc/49/30/58/566493058.db2.gz QGBVBETUSBYJLN-SNVBAGLBSA-N 1 2 223.280 -0.178 20 0 BBADLO Cn1nnc(C[N@@H+]2CC[C@@]3(CCOC3)C2)n1 ZINC000194447882 566493054 /nfs/dbraw/zinc/49/30/54/566493054.db2.gz QGBVBETUSBYJLN-SNVBAGLBSA-N 1 2 223.280 -0.178 20 0 BBADLO Cn1nnc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)n1 ZINC000194449149 353662564 /nfs/dbraw/zinc/66/25/64/353662564.db2.gz ORFTXNVAKLQIFS-IUCAKERBSA-N 1 2 225.296 -0.197 20 0 BBADLO Cn1nnc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)n1 ZINC000194449149 353662562 /nfs/dbraw/zinc/66/25/62/353662562.db2.gz ORFTXNVAKLQIFS-IUCAKERBSA-N 1 2 225.296 -0.197 20 0 BBADLO Cn1nnc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)n1 ZINC000194449164 353662598 /nfs/dbraw/zinc/66/25/98/353662598.db2.gz ORFTXNVAKLQIFS-BDAKNGLRSA-N 1 2 225.296 -0.197 20 0 BBADLO Cn1nnc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)n1 ZINC000194449164 353662593 /nfs/dbraw/zinc/66/25/93/353662593.db2.gz ORFTXNVAKLQIFS-BDAKNGLRSA-N 1 2 225.296 -0.197 20 0 BBADLO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)[nH]n1 ZINC000194599584 206095233 /nfs/dbraw/zinc/09/52/33/206095233.db2.gz DSMLVDUPECOYQG-SECBINFHSA-N 1 2 238.291 -0.221 20 0 BBADLO Cc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)[nH]n1 ZINC000194599584 206095228 /nfs/dbraw/zinc/09/52/28/206095228.db2.gz DSMLVDUPECOYQG-SECBINFHSA-N 1 2 238.291 -0.221 20 0 BBADLO Cc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)[nH]n1 ZINC000194599595 206095631 /nfs/dbraw/zinc/09/56/31/206095631.db2.gz DSMLVDUPECOYQG-VIFPVBQESA-N 1 2 238.291 -0.221 20 0 BBADLO Cc1cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)[nH]n1 ZINC000194599595 206095626 /nfs/dbraw/zinc/09/56/26/206095626.db2.gz DSMLVDUPECOYQG-VIFPVBQESA-N 1 2 238.291 -0.221 20 0 BBADLO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC000194600425 353677018 /nfs/dbraw/zinc/67/70/18/353677018.db2.gz NDDZFRUFUKDPQU-NXEZZACHSA-N 1 2 228.292 -0.530 20 0 BBADLO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC000194600425 353677016 /nfs/dbraw/zinc/67/70/16/353677016.db2.gz NDDZFRUFUKDPQU-NXEZZACHSA-N 1 2 228.292 -0.530 20 0 BBADLO C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC000194600436 387885769 /nfs/dbraw/zinc/88/57/69/387885769.db2.gz NDDZFRUFUKDPQU-ZJUUUORDSA-N 1 2 228.292 -0.530 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC000194600436 387885764 /nfs/dbraw/zinc/88/57/64/387885764.db2.gz NDDZFRUFUKDPQU-ZJUUUORDSA-N 1 2 228.292 -0.530 20 0 BBADLO COCCN1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC000194606130 387885738 /nfs/dbraw/zinc/88/57/38/387885738.db2.gz ICOZPEHEIUNDPL-NSHDSACASA-N 1 2 243.351 -0.273 20 0 BBADLO COCCN1CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC000194606141 387885992 /nfs/dbraw/zinc/88/59/92/387885992.db2.gz ICOZPEHEIUNDPL-LLVKDONJSA-N 1 2 243.351 -0.273 20 0 BBADLO C[N@H+]1CCO[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC000194606785 387885039 /nfs/dbraw/zinc/88/50/39/387885039.db2.gz CPYHWLUXCREKTC-MRVPVSSYSA-N 1 2 224.264 -0.530 20 0 BBADLO C[N@@H+]1CCO[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC000194606785 387885034 /nfs/dbraw/zinc/88/50/34/387885034.db2.gz CPYHWLUXCREKTC-MRVPVSSYSA-N 1 2 224.264 -0.530 20 0 BBADLO C[N@H+]1CCO[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC000194606798 387885943 /nfs/dbraw/zinc/88/59/43/387885943.db2.gz CPYHWLUXCREKTC-QMMMGPOBSA-N 1 2 224.264 -0.530 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC000194606798 387885941 /nfs/dbraw/zinc/88/59/41/387885941.db2.gz CPYHWLUXCREKTC-QMMMGPOBSA-N 1 2 224.264 -0.530 20 0 BBADLO C[N@H+]1CCO[C@H](CNC(=O)COCC2CC2)C1 ZINC000194611657 387885562 /nfs/dbraw/zinc/88/55/62/387885562.db2.gz ISEZNVRZOCRSQE-LLVKDONJSA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@@H+]1CCO[C@H](CNC(=O)COCC2CC2)C1 ZINC000194611657 387885558 /nfs/dbraw/zinc/88/55/58/387885558.db2.gz ISEZNVRZOCRSQE-LLVKDONJSA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@H+]1CCO[C@@H](CNC(=O)COCC2CC2)C1 ZINC000194611674 387884920 /nfs/dbraw/zinc/88/49/20/387884920.db2.gz ISEZNVRZOCRSQE-NSHDSACASA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNC(=O)COCC2CC2)C1 ZINC000194611674 387884917 /nfs/dbraw/zinc/88/49/17/387884917.db2.gz ISEZNVRZOCRSQE-NSHDSACASA-N 1 2 242.319 -0.140 20 0 BBADLO CCO[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000194611892 353677708 /nfs/dbraw/zinc/67/77/08/353677708.db2.gz PUZNOWHFLDVVIC-VHSXEESVSA-N 1 2 230.308 -0.142 20 0 BBADLO CCO[C@@H](C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000194611892 353677707 /nfs/dbraw/zinc/67/77/07/353677707.db2.gz PUZNOWHFLDVVIC-VHSXEESVSA-N 1 2 230.308 -0.142 20 0 BBADLO CCO[C@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000194611904 353677654 /nfs/dbraw/zinc/67/76/54/353677654.db2.gz PUZNOWHFLDVVIC-NXEZZACHSA-N 1 2 230.308 -0.142 20 0 BBADLO CCO[C@H](C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000194611904 353677651 /nfs/dbraw/zinc/67/76/51/353677651.db2.gz PUZNOWHFLDVVIC-NXEZZACHSA-N 1 2 230.308 -0.142 20 0 BBADLO CCO[C@@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000194611917 353677374 /nfs/dbraw/zinc/67/73/74/353677374.db2.gz PUZNOWHFLDVVIC-UWVGGRQHSA-N 1 2 230.308 -0.142 20 0 BBADLO CCO[C@@H](C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000194611917 353677371 /nfs/dbraw/zinc/67/73/71/353677371.db2.gz PUZNOWHFLDVVIC-UWVGGRQHSA-N 1 2 230.308 -0.142 20 0 BBADLO CCO[C@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000194611926 353677833 /nfs/dbraw/zinc/67/78/33/353677833.db2.gz PUZNOWHFLDVVIC-ZJUUUORDSA-N 1 2 230.308 -0.142 20 0 BBADLO CCO[C@H](C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000194611926 353677832 /nfs/dbraw/zinc/67/78/32/353677832.db2.gz PUZNOWHFLDVVIC-ZJUUUORDSA-N 1 2 230.308 -0.142 20 0 BBADLO C[N@H+]1CCO[C@H](CNC(=O)Cn2cccn2)C1 ZINC000194620847 387887163 /nfs/dbraw/zinc/88/71/63/387887163.db2.gz JLCCSBOJUGQPNA-SNVBAGLBSA-N 1 2 238.291 -0.670 20 0 BBADLO C[N@@H+]1CCO[C@H](CNC(=O)Cn2cccn2)C1 ZINC000194620847 387887158 /nfs/dbraw/zinc/88/71/58/387887158.db2.gz JLCCSBOJUGQPNA-SNVBAGLBSA-N 1 2 238.291 -0.670 20 0 BBADLO C[N@H+]1CCO[C@@H](CNC(=O)Cn2cccn2)C1 ZINC000194620859 387887657 /nfs/dbraw/zinc/88/76/57/387887657.db2.gz JLCCSBOJUGQPNA-JTQLQIEISA-N 1 2 238.291 -0.670 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cccn2)C1 ZINC000194620859 387887651 /nfs/dbraw/zinc/88/76/51/387887651.db2.gz JLCCSBOJUGQPNA-JTQLQIEISA-N 1 2 238.291 -0.670 20 0 BBADLO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC000194626695 387888021 /nfs/dbraw/zinc/88/80/21/387888021.db2.gz WPSJRNHMQWHZQZ-SNVBAGLBSA-N 1 2 238.291 -0.520 20 0 BBADLO Cn1cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cn1 ZINC000194626695 387888016 /nfs/dbraw/zinc/88/80/16/387888016.db2.gz WPSJRNHMQWHZQZ-SNVBAGLBSA-N 1 2 238.291 -0.520 20 0 BBADLO Cn1cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cn1 ZINC000194626709 387888847 /nfs/dbraw/zinc/88/88/47/387888847.db2.gz WPSJRNHMQWHZQZ-JTQLQIEISA-N 1 2 238.291 -0.520 20 0 BBADLO Cn1cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)cn1 ZINC000194626709 387888843 /nfs/dbraw/zinc/88/88/43/387888843.db2.gz WPSJRNHMQWHZQZ-JTQLQIEISA-N 1 2 238.291 -0.520 20 0 BBADLO C[N@H+]1CCO[C@H](CNC(=O)C2CCOCC2)C1 ZINC000194630453 387887630 /nfs/dbraw/zinc/88/76/30/387887630.db2.gz SMZKTGQXHSTZMC-LLVKDONJSA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@@H+]1CCO[C@H](CNC(=O)C2CCOCC2)C1 ZINC000194630453 387887625 /nfs/dbraw/zinc/88/76/25/387887625.db2.gz SMZKTGQXHSTZMC-LLVKDONJSA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@H+]1CCO[C@@H](CNC(=O)C2CCOCC2)C1 ZINC000194630469 387887983 /nfs/dbraw/zinc/88/79/83/387887983.db2.gz SMZKTGQXHSTZMC-NSHDSACASA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNC(=O)C2CCOCC2)C1 ZINC000194630469 387887978 /nfs/dbraw/zinc/88/79/78/387887978.db2.gz SMZKTGQXHSTZMC-NSHDSACASA-N 1 2 242.319 -0.140 20 0 BBADLO CCS(=O)(=O)CC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000194689080 388739286 /nfs/dbraw/zinc/73/92/86/388739286.db2.gz HDTYSWXAOXSAED-VIFPVBQESA-N 1 2 248.348 -0.369 20 0 BBADLO CCS(=O)(=O)CC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000194689080 388739282 /nfs/dbraw/zinc/73/92/82/388739282.db2.gz HDTYSWXAOXSAED-VIFPVBQESA-N 1 2 248.348 -0.369 20 0 BBADLO CCS(=O)(=O)CC(=O)NC[C@H]1CCC[N@H+]1C ZINC000194689096 388740011 /nfs/dbraw/zinc/74/00/11/388740011.db2.gz HDTYSWXAOXSAED-SECBINFHSA-N 1 2 248.348 -0.369 20 0 BBADLO CCS(=O)(=O)CC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000194689096 388740008 /nfs/dbraw/zinc/74/00/08/388740008.db2.gz HDTYSWXAOXSAED-SECBINFHSA-N 1 2 248.348 -0.369 20 0 BBADLO CNC(=O)C[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000194782992 387892745 /nfs/dbraw/zinc/89/27/45/387892745.db2.gz NMRBSNGHDJQKSB-UHFFFAOYSA-N 1 2 241.335 -0.077 20 0 BBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000194782992 387892738 /nfs/dbraw/zinc/89/27/38/387892738.db2.gz NMRBSNGHDJQKSB-UHFFFAOYSA-N 1 2 241.335 -0.077 20 0 BBADLO CNC(=O)C[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000194783093 387894138 /nfs/dbraw/zinc/89/41/38/387894138.db2.gz JBTPRANTPUSLFQ-UHFFFAOYSA-N 1 2 239.319 -0.323 20 0 BBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000194783093 387894134 /nfs/dbraw/zinc/89/41/34/387894134.db2.gz JBTPRANTPUSLFQ-UHFFFAOYSA-N 1 2 239.319 -0.323 20 0 BBADLO CCOC(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000194783112 387892813 /nfs/dbraw/zinc/89/28/13/387892813.db2.gz SOHSRTJLWPLJNH-UHFFFAOYSA-N 1 2 243.307 -0.103 20 0 BBADLO CCOC(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000194783112 387892808 /nfs/dbraw/zinc/89/28/08/387892808.db2.gz SOHSRTJLWPLJNH-UHFFFAOYSA-N 1 2 243.307 -0.103 20 0 BBADLO COCC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000194909976 388746329 /nfs/dbraw/zinc/74/63/29/388746329.db2.gz XCDRPJKCMRSBPJ-UHFFFAOYSA-N 1 2 230.308 -0.140 20 0 BBADLO COCC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000194909976 388746326 /nfs/dbraw/zinc/74/63/26/388746326.db2.gz XCDRPJKCMRSBPJ-UHFFFAOYSA-N 1 2 230.308 -0.140 20 0 BBADLO C[C@H](O)C[N@@H+](CCS(C)(=O)=O)C1CC1 ZINC000194950770 644356111 /nfs/dbraw/zinc/35/61/11/644356111.db2.gz KWDHJAOPMMSWIV-QMMMGPOBSA-N 1 2 221.322 -0.124 20 0 BBADLO C[C@H](O)C[N@H+](CCS(C)(=O)=O)C1CC1 ZINC000194950770 644356104 /nfs/dbraw/zinc/35/61/04/644356104.db2.gz KWDHJAOPMMSWIV-QMMMGPOBSA-N 1 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-0.261 20 0 BBADLO CO[C@@H](C)CS(=O)(=O)NCCn1cc[nH+]c1 ZINC000195054092 385457688 /nfs/dbraw/zinc/45/76/88/385457688.db2.gz ZMZCYZDNMFPZDN-VIFPVBQESA-N 1 2 247.320 -0.163 20 0 BBADLO CO[C@H](C)CS(=O)(=O)NCCn1cc[nH+]c1 ZINC000195054103 385457505 /nfs/dbraw/zinc/45/75/05/385457505.db2.gz ZMZCYZDNMFPZDN-SECBINFHSA-N 1 2 247.320 -0.163 20 0 BBADLO CO[C@@H](C)CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000195234808 387917105 /nfs/dbraw/zinc/91/71/05/387917105.db2.gz IXNAZFJNTLNZIE-VHSXEESVSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@@H](C)CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000195234808 387917100 /nfs/dbraw/zinc/91/71/00/387917100.db2.gz IXNAZFJNTLNZIE-VHSXEESVSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@H](C)CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000195234820 387916405 /nfs/dbraw/zinc/91/64/05/387916405.db2.gz IXNAZFJNTLNZIE-NXEZZACHSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@H](C)CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000195234820 387916401 /nfs/dbraw/zinc/91/64/01/387916401.db2.gz IXNAZFJNTLNZIE-NXEZZACHSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@@H](C)CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000195234830 387916557 /nfs/dbraw/zinc/91/65/57/387916557.db2.gz IXNAZFJNTLNZIE-UWVGGRQHSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@@H](C)CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000195234830 387916554 /nfs/dbraw/zinc/91/65/54/387916554.db2.gz IXNAZFJNTLNZIE-UWVGGRQHSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@H](C)CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000195234842 134842384 /nfs/dbraw/zinc/84/23/84/134842384.db2.gz IXNAZFJNTLNZIE-ZJUUUORDSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@H](C)CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000195234842 134842380 /nfs/dbraw/zinc/84/23/80/134842380.db2.gz IXNAZFJNTLNZIE-ZJUUUORDSA-N 1 2 230.308 -0.142 20 0 BBADLO C[C@@H](C(N)=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195309394 388157959 /nfs/dbraw/zinc/15/79/59/388157959.db2.gz GLEXRBFZZVLZNS-AXFHLTTASA-N 1 2 243.351 -0.099 20 0 BBADLO C[C@@H](C(N)=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195309394 388157957 /nfs/dbraw/zinc/15/79/57/388157957.db2.gz GLEXRBFZZVLZNS-AXFHLTTASA-N 1 2 243.351 -0.099 20 0 BBADLO C[C@H](C(N)=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195309406 388157886 /nfs/dbraw/zinc/15/78/86/388157886.db2.gz GLEXRBFZZVLZNS-OUAUKWLOSA-N 1 2 243.351 -0.099 20 0 BBADLO C[C@H](C(N)=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195309406 388157885 /nfs/dbraw/zinc/15/78/85/388157885.db2.gz GLEXRBFZZVLZNS-OUAUKWLOSA-N 1 2 243.351 -0.099 20 0 BBADLO C[C@@H]1C[N@H+](CCN(C)CC(N)=O)C[C@H](C)O1 ZINC000195316506 388159087 /nfs/dbraw/zinc/15/90/87/388159087.db2.gz JOVCOLHFBGZRNI-AOOOYVTPSA-N 1 2 229.324 -0.487 20 0 BBADLO C[C@@H]1C[N@@H+](CCN(C)CC(N)=O)C[C@H](C)O1 ZINC000195316506 388159084 /nfs/dbraw/zinc/15/90/84/388159084.db2.gz JOVCOLHFBGZRNI-AOOOYVTPSA-N 1 2 229.324 -0.487 20 0 BBADLO CNC(=O)CN(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195323455 388160873 /nfs/dbraw/zinc/16/08/73/388160873.db2.gz ABFNOGDUZCVDNI-PHIMTYICSA-N 1 2 243.351 -0.227 20 0 BBADLO CNC(=O)CN(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195323455 388160871 /nfs/dbraw/zinc/16/08/71/388160871.db2.gz ABFNOGDUZCVDNI-PHIMTYICSA-N 1 2 243.351 -0.227 20 0 BBADLO Cn1cc(CN2CC[NH+](CC(N)=O)CC2)cn1 ZINC000195430165 353755651 /nfs/dbraw/zinc/75/56/51/353755651.db2.gz NKKBEUCLYXNTPK-UHFFFAOYSA-N 1 2 237.307 -0.977 20 0 BBADLO Cn1cc(C[NH+]2CCN(CC(N)=O)CC2)cn1 ZINC000195430165 353755649 /nfs/dbraw/zinc/75/56/49/353755649.db2.gz NKKBEUCLYXNTPK-UHFFFAOYSA-N 1 2 237.307 -0.977 20 0 BBADLO CC[N@@H+](CC(=O)NC)Cc1cnn(C)c1 ZINC000195432173 353755594 /nfs/dbraw/zinc/75/55/94/353755594.db2.gz WUIGUEVQLAKHBZ-UHFFFAOYSA-N 1 2 210.281 -0.012 20 0 BBADLO CCn1cc[nH+]c1CN1CCO[C@H](C(N)=O)C1 ZINC000195515466 353766000 /nfs/dbraw/zinc/76/60/00/353766000.db2.gz PWHNMKFCOGDYEF-VIFPVBQESA-N 1 2 238.291 -0.411 20 0 BBADLO CCn1cc[nH+]c1CN1CCO[C@@H](C(N)=O)C1 ZINC000195515467 353765726 /nfs/dbraw/zinc/76/57/26/353765726.db2.gz PWHNMKFCOGDYEF-SECBINFHSA-N 1 2 238.291 -0.411 20 0 BBADLO CC[N@@H+](CC(=O)NC(N)=O)Cc1cnn(C)c1 ZINC000195518547 388711887 /nfs/dbraw/zinc/71/18/87/388711887.db2.gz OZPOKNKCSQSGOG-UHFFFAOYSA-N 1 2 239.279 -0.563 20 0 BBADLO CC[N@H+](CC(=O)NC(N)=O)Cc1cnn(C)c1 ZINC000195518547 388711886 /nfs/dbraw/zinc/71/18/86/388711886.db2.gz OZPOKNKCSQSGOG-UHFFFAOYSA-N 1 2 239.279 -0.563 20 0 BBADLO O=C1CCCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000197061048 345725540 /nfs/dbraw/zinc/72/55/40/345725540.db2.gz RJKZVVQIXMDBNT-SNVBAGLBSA-N 1 2 228.292 -0.698 20 0 BBADLO O=C1CCCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000197061063 345725598 /nfs/dbraw/zinc/72/55/98/345725598.db2.gz RJKZVVQIXMDBNT-JTQLQIEISA-N 1 2 228.292 -0.698 20 0 BBADLO C[NH+]1CCN(C(=O)[C@H]2CCC(=O)O2)CC1 ZINC000197862134 644441743 /nfs/dbraw/zinc/44/17/43/644441743.db2.gz ZERLFAPGNBKTSV-MRVPVSSYSA-N 1 2 212.249 -0.534 20 0 BBADLO CNC(=O)C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000198400673 345726702 /nfs/dbraw/zinc/72/67/02/345726702.db2.gz CHFIRKFZYPGUTQ-UHFFFAOYSA-N 1 2 215.297 -0.421 20 0 BBADLO CNC(=O)C[N@H+](C)CC(=O)NC(C)(C)C ZINC000198400673 345726699 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/nfs/dbraw/zinc/13/78/61/591137861.db2.gz WCVDCMAMLBTEBT-UMCURTJPSA-N 1 2 211.309 -0.076 20 0 BBADLO C/C=C\C(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000211123491 591137859 /nfs/dbraw/zinc/13/78/59/591137859.db2.gz WCVDCMAMLBTEBT-UMCURTJPSA-N 1 2 211.309 -0.076 20 0 BBADLO C/C=C\C(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000211123541 591137810 /nfs/dbraw/zinc/13/78/10/591137810.db2.gz WCVDCMAMLBTEBT-LWTINBJPSA-N 1 2 211.309 -0.076 20 0 BBADLO C/C=C\C(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000211123541 591137808 /nfs/dbraw/zinc/13/78/08/591137808.db2.gz WCVDCMAMLBTEBT-LWTINBJPSA-N 1 2 211.309 -0.076 20 0 BBADLO C/C=C\C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000211310106 591156518 /nfs/dbraw/zinc/15/65/18/591156518.db2.gz ZIOVQBYMWLTZEQ-RQOWECAXSA-N 1 2 225.292 -0.418 20 0 BBADLO C/C=C\C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000211310106 591156515 /nfs/dbraw/zinc/15/65/15/591156515.db2.gz ZIOVQBYMWLTZEQ-RQOWECAXSA-N 1 2 225.292 -0.418 20 0 BBADLO CS(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000212477642 356871288 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/nfs/dbraw/zinc/81/92/76/582819276.db2.gz RKFMLXUZLZGYRW-WTKPLQERSA-N 1 2 226.276 -0.072 20 0 BBADLO COC(=O)/C(C)=C\C[N@@H+]1CCCNC(=O)C1 ZINC000214555845 582819272 /nfs/dbraw/zinc/81/92/72/582819272.db2.gz RKFMLXUZLZGYRW-WTKPLQERSA-N 1 2 226.276 -0.072 20 0 BBADLO COC(=O)/C(C)=C\C[N@@H+](C)CC(N)=O ZINC000214586894 591635468 /nfs/dbraw/zinc/63/54/68/591635468.db2.gz PXJJXTPYIOCBGU-DAXSKMNVSA-N 1 2 200.238 -0.477 20 0 BBADLO COC(=O)/C(C)=C\C[N@H+](C)CC(N)=O ZINC000214586894 591635464 /nfs/dbraw/zinc/63/54/64/591635464.db2.gz PXJJXTPYIOCBGU-DAXSKMNVSA-N 1 2 200.238 -0.477 20 0 BBADLO CNC(=O)C[N@@H+](C)C/C=C(\C)C(=O)OC ZINC000214594807 591636134 /nfs/dbraw/zinc/63/61/34/591636134.db2.gz KRHXKKXTQNMMDC-VMPITWQZSA-N 1 2 214.265 -0.217 20 0 BBADLO CNC(=O)C[N@H+](C)C/C=C(\C)C(=O)OC ZINC000214594807 591636132 /nfs/dbraw/zinc/63/61/32/591636132.db2.gz KRHXKKXTQNMMDC-VMPITWQZSA-N 1 2 214.265 -0.217 20 0 BBADLO NC(=O)[C@H]1CC[C@@H](C(N)=O)[N@H+]1Cc1ccccc1 ZINC000216107597 349978234 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/nfs/dbraw/zinc/24/46/22/183244622.db2.gz PJIXIMSSJPSBDW-AOOOYVTPSA-N 1 2 212.224 -0.242 20 0 BBADLO O[C@H]1C[NH+](Cc2cncc(F)c2)C[C@@H]1O ZINC000219506717 183243390 /nfs/dbraw/zinc/24/33/90/183243390.db2.gz PJIXIMSSJPSBDW-UWVGGRQHSA-N 1 2 212.224 -0.242 20 0 BBADLO O[C@@H]1C[NH+](Cc2cncc(F)c2)C[C@H]1O ZINC000219506784 183206644 /nfs/dbraw/zinc/20/66/44/183206644.db2.gz PJIXIMSSJPSBDW-NXEZZACHSA-N 1 2 212.224 -0.242 20 0 BBADLO O=C(c1cncs1)N1CC[NH+](CCO)CC1 ZINC000220070983 134299179 /nfs/dbraw/zinc/29/91/79/134299179.db2.gz GGAYRBTWZKSLMM-UHFFFAOYSA-N 1 2 241.316 -0.107 20 0 BBADLO COC(=O)C[N@@H+](C)C[C@@H]1CCC(=O)N1 ZINC000220472028 344401208 /nfs/dbraw/zinc/40/12/08/344401208.db2.gz GNGNAMVZSWQFNN-ZETCQYMHSA-N 1 2 200.238 -0.630 20 0 BBADLO COC(=O)C[N@H+](C)C[C@@H]1CCC(=O)N1 ZINC000220472028 344401206 /nfs/dbraw/zinc/40/12/06/344401206.db2.gz GNGNAMVZSWQFNN-ZETCQYMHSA-N 1 2 200.238 -0.630 20 0 BBADLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCNC(=O)C1 ZINC000220550660 487516694 /nfs/dbraw/zinc/51/66/94/487516694.db2.gz VHHGFTCVWCEMRK-QMMMGPOBSA-N 1 2 248.286 -0.527 20 0 BBADLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCNC(=O)C1 ZINC000220550660 487516693 /nfs/dbraw/zinc/51/66/93/487516693.db2.gz VHHGFTCVWCEMRK-QMMMGPOBSA-N 1 2 248.286 -0.527 20 0 BBADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCNC(=O)C1 ZINC000220550729 487516794 /nfs/dbraw/zinc/51/67/94/487516794.db2.gz VHHGFTCVWCEMRK-MRVPVSSYSA-N 1 2 248.286 -0.527 20 0 BBADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCNC(=O)C1 ZINC000220550729 487516791 /nfs/dbraw/zinc/51/67/91/487516791.db2.gz VHHGFTCVWCEMRK-MRVPVSSYSA-N 1 2 248.286 -0.527 20 0 BBADLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CC(O)C1 ZINC000220559461 344552451 /nfs/dbraw/zinc/55/24/51/344552451.db2.gz JUAURXAGJQNMKU-ZETCQYMHSA-N 1 2 221.260 -0.282 20 0 BBADLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CC(O)C1 ZINC000220559461 344552448 /nfs/dbraw/zinc/55/24/48/344552448.db2.gz JUAURXAGJQNMKU-ZETCQYMHSA-N 1 2 221.260 -0.282 20 0 BBADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CC(O)C1 ZINC000220559536 344552719 /nfs/dbraw/zinc/55/27/19/344552719.db2.gz JUAURXAGJQNMKU-SSDOTTSWSA-N 1 2 221.260 -0.282 20 0 BBADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CC(O)C1 ZINC000220559536 344552717 /nfs/dbraw/zinc/55/27/17/344552717.db2.gz JUAURXAGJQNMKU-SSDOTTSWSA-N 1 2 221.260 -0.282 20 0 BBADLO COC(=O)[C@@H](C)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000220583038 134309454 /nfs/dbraw/zinc/30/94/54/134309454.db2.gz BZIYBBNMNMABQI-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO COC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000220583038 134309453 /nfs/dbraw/zinc/30/94/53/134309453.db2.gz BZIYBBNMNMABQI-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000220583038 134309452 /nfs/dbraw/zinc/30/94/52/134309452.db2.gz BZIYBBNMNMABQI-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO COC(=O)[C@H](C)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000220583100 536630464 /nfs/dbraw/zinc/63/04/64/536630464.db2.gz BZIYBBNMNMABQI-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO COC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000220583100 536630459 /nfs/dbraw/zinc/63/04/59/536630459.db2.gz BZIYBBNMNMABQI-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000220583100 536630454 /nfs/dbraw/zinc/63/04/54/536630454.db2.gz BZIYBBNMNMABQI-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO COc1c(N)nc[nH+]c1N[C@@H](C)CC(N)=O ZINC000220622063 358046671 /nfs/dbraw/zinc/04/66/71/358046671.db2.gz VTLPZFVASPNHGH-YFKPBYRVSA-N 1 2 225.252 -0.257 20 0 BBADLO COc1c(N)[nH+]cnc1N[C@@H](C)CC(N)=O ZINC000220622063 358046668 /nfs/dbraw/zinc/04/66/68/358046668.db2.gz VTLPZFVASPNHGH-YFKPBYRVSA-N 1 2 225.252 -0.257 20 0 BBADLO COc1c(N)nc[nH+]c1N[C@H](C)CC(N)=O ZINC000220622127 358046274 /nfs/dbraw/zinc/04/62/74/358046274.db2.gz VTLPZFVASPNHGH-RXMQYKEDSA-N 1 2 225.252 -0.257 20 0 BBADLO COc1c(N)[nH+]cnc1N[C@H](C)CC(N)=O ZINC000220622127 358046273 /nfs/dbraw/zinc/04/62/73/358046273.db2.gz VTLPZFVASPNHGH-RXMQYKEDSA-N 1 2 225.252 -0.257 20 0 BBADLO CNS(=O)(=O)CC[NH2+]Cc1cc[nH]n1 ZINC000221003113 388609392 /nfs/dbraw/zinc/60/93/92/388609392.db2.gz DIMYEYSUTNFQFT-UHFFFAOYSA-N 1 2 218.282 -0.952 20 0 BBADLO CNS(=O)(=O)CC[NH2+]Cc1nccs1 ZINC000221007499 490166057 /nfs/dbraw/zinc/16/60/57/490166057.db2.gz LVCMSCIJSDVVLE-UHFFFAOYSA-N 1 2 235.334 -0.218 20 0 BBADLO CCn1ccnc1C[NH2+]CCS(=O)(=O)NC ZINC000221007779 323166328 /nfs/dbraw/zinc/16/63/28/323166328.db2.gz OKRNKZAYRGNJPW-UHFFFAOYSA-N 1 2 246.336 -0.458 20 0 BBADLO CNS(=O)(=O)CC[NH2+]Cc1cscn1 ZINC000221009485 383924223 /nfs/dbraw/zinc/92/42/23/383924223.db2.gz GAVSCHLBTLUZIF-UHFFFAOYSA-N 1 2 235.334 -0.218 20 0 BBADLO COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCC(=O)N2)CCO1 ZINC000221030538 344663553 /nfs/dbraw/zinc/66/35/53/344663553.db2.gz IJXXWZSVRPEZOW-IUCAKERBSA-N 1 2 242.275 -0.861 20 0 BBADLO COC(=O)[C@@H]1C[N@H+](C[C@@H]2CCC(=O)N2)CCO1 ZINC000221030538 344663551 /nfs/dbraw/zinc/66/35/51/344663551.db2.gz IJXXWZSVRPEZOW-IUCAKERBSA-N 1 2 242.275 -0.861 20 0 BBADLO COC(=O)[C@H]1C[N@@H+](C[C@@H]2CCC(=O)N2)CCO1 ZINC000221030600 344663920 /nfs/dbraw/zinc/66/39/20/344663920.db2.gz IJXXWZSVRPEZOW-DTWKUNHWSA-N 1 2 242.275 -0.861 20 0 BBADLO COC(=O)[C@H]1C[N@H+](C[C@@H]2CCC(=O)N2)CCO1 ZINC000221030600 344663918 /nfs/dbraw/zinc/66/39/18/344663918.db2.gz IJXXWZSVRPEZOW-DTWKUNHWSA-N 1 2 242.275 -0.861 20 0 BBADLO CNS(=O)(=O)CCNc1cc[nH+]c(C)n1 ZINC000221041586 388609336 /nfs/dbraw/zinc/60/93/36/388609336.db2.gz LAJIEWYUJVINLC-UHFFFAOYSA-N 1 2 230.293 -0.254 20 0 BBADLO CNS(=O)(=O)CCNc1cc(C)[nH+]cn1 ZINC000221045416 388609564 /nfs/dbraw/zinc/60/95/64/388609564.db2.gz GPLUFMYKRMFTPV-UHFFFAOYSA-N 1 2 230.293 -0.254 20 0 BBADLO CNS(=O)(=O)CC[NH2+][C@@H](C)c1nccn1C ZINC000221091448 134318649 /nfs/dbraw/zinc/31/86/49/134318649.db2.gz ZNLIXXXSSFRIQG-QMMMGPOBSA-N 1 2 246.336 -0.380 20 0 BBADLO CNS(=O)(=O)CC[NH2+][C@H](C)c1nccn1C ZINC000221091511 134318755 /nfs/dbraw/zinc/31/87/55/134318755.db2.gz ZNLIXXXSSFRIQG-MRVPVSSYSA-N 1 2 246.336 -0.380 20 0 BBADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1C[C@@H](O)C(F)(F)F ZINC000221194130 134317434 /nfs/dbraw/zinc/31/74/34/134317434.db2.gz BXRARGAUNKOPRE-BWZBUEFSSA-N 1 2 243.225 -0.009 20 0 BBADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000221194130 134317433 /nfs/dbraw/zinc/31/74/33/134317433.db2.gz BXRARGAUNKOPRE-BWZBUEFSSA-N 1 2 243.225 -0.009 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@H+]1C[C@@H](O)C(F)(F)F ZINC000221194249 134317749 /nfs/dbraw/zinc/31/77/49/134317749.db2.gz BXRARGAUNKOPRE-GJMOJQLCSA-N 1 2 243.225 -0.009 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000221194249 134317748 /nfs/dbraw/zinc/31/77/48/134317748.db2.gz BXRARGAUNKOPRE-GJMOJQLCSA-N 1 2 243.225 -0.009 20 0 BBADLO Nc1nc(N)nc(C[N@@H+](CCO)C2CCC2)n1 ZINC000221198268 134317445 /nfs/dbraw/zinc/31/74/45/134317445.db2.gz YETCYWSZVGFNDY-UHFFFAOYSA-N 1 2 238.295 -0.617 20 0 BBADLO Nc1nc(N)nc(C[N@H+](CCO)C2CCC2)n1 ZINC000221198268 134317444 /nfs/dbraw/zinc/31/74/44/134317444.db2.gz YETCYWSZVGFNDY-UHFFFAOYSA-N 1 2 238.295 -0.617 20 0 BBADLO CCCS(=O)(=O)CC[N@@H+](C)CCO ZINC000221243803 712658807 /nfs/dbraw/zinc/65/88/07/712658807.db2.gz YYGGIUPURPKWET-UHFFFAOYSA-N 1 2 209.311 -0.265 20 0 BBADLO CCCS(=O)(=O)CC[N@H+](C)CCO ZINC000221243803 712658806 /nfs/dbraw/zinc/65/88/06/712658806.db2.gz YYGGIUPURPKWET-UHFFFAOYSA-N 1 2 209.311 -0.265 20 0 BBADLO COC[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)OC ZINC000221475910 134324886 /nfs/dbraw/zinc/32/48/86/134324886.db2.gz GKCMJBOKLGRYSP-JGVFFNPUSA-N 1 2 205.254 -0.513 20 0 BBADLO COC[C@H](O)C[N@H+](C)[C@@H](C)C(=O)OC ZINC000221475910 134324885 /nfs/dbraw/zinc/32/48/85/134324885.db2.gz GKCMJBOKLGRYSP-JGVFFNPUSA-N 1 2 205.254 -0.513 20 0 BBADLO CCOC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)COC ZINC000221490943 134325180 /nfs/dbraw/zinc/32/51/80/134325180.db2.gz GUKGFLFQZFEATJ-RKDXNWHRSA-N 1 2 219.281 -0.123 20 0 BBADLO CCOC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)COC ZINC000221490943 134325179 /nfs/dbraw/zinc/32/51/79/134325179.db2.gz GUKGFLFQZFEATJ-RKDXNWHRSA-N 1 2 219.281 -0.123 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)COC ZINC000221491006 535619139 /nfs/dbraw/zinc/61/91/39/535619139.db2.gz GUKGFLFQZFEATJ-DTWKUNHWSA-N 1 2 219.281 -0.123 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@@H](O)COC ZINC000221491006 535619134 /nfs/dbraw/zinc/61/91/34/535619134.db2.gz GUKGFLFQZFEATJ-DTWKUNHWSA-N 1 2 219.281 -0.123 20 0 BBADLO CCOC(=O)C[NH2+]C1(CO)CCOCC1 ZINC000221891641 170225621 /nfs/dbraw/zinc/22/56/21/170225621.db2.gz VZUSRTNTANKXIA-UHFFFAOYSA-N 1 2 217.265 -0.319 20 0 BBADLO CCCOCC(=O)N1CC[NH+](CCO)CC1 ZINC000222223092 169303322 /nfs/dbraw/zinc/30/33/22/169303322.db2.gz FJIYYFODPYATNO-UHFFFAOYSA-N 1 2 230.308 -0.451 20 0 BBADLO Cn1cc(CC[N@H+]2CCOC[C@H]2CO)cn1 ZINC000223069562 487750459 /nfs/dbraw/zinc/75/04/59/487750459.db2.gz JJJMBKMVNNTYCU-LLVKDONJSA-N 1 2 225.292 -0.344 20 0 BBADLO Cn1cc(CC[N@@H+]2CCOC[C@H]2CO)cn1 ZINC000223069562 487750456 /nfs/dbraw/zinc/75/04/56/487750456.db2.gz JJJMBKMVNNTYCU-LLVKDONJSA-N 1 2 225.292 -0.344 20 0 BBADLO CC[N@H+](CC(=O)OC)C[C@@H]1CCC(=O)N1 ZINC000223243204 592525733 /nfs/dbraw/zinc/52/57/33/592525733.db2.gz OPELPQFEQCMJJQ-QMMMGPOBSA-N 1 2 214.265 -0.240 20 0 BBADLO CC[N@@H+](CC(=O)OC)C[C@@H]1CCC(=O)N1 ZINC000223243204 592525732 /nfs/dbraw/zinc/52/57/32/592525732.db2.gz OPELPQFEQCMJJQ-QMMMGPOBSA-N 1 2 214.265 -0.240 20 0 BBADLO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)CC[N@@H+]1C ZINC000223285133 388649455 /nfs/dbraw/zinc/64/94/55/388649455.db2.gz GAYLXNMEXHJJRP-GRYCIOLGSA-N 1 2 229.368 -0.019 20 0 BBADLO C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000223286699 388649852 /nfs/dbraw/zinc/64/98/52/388649852.db2.gz MUKMVTBIJDXHGF-UTUOFQBUSA-N 1 2 229.368 -0.161 20 0 BBADLO CC[NH+]1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000223319056 350272236 /nfs/dbraw/zinc/27/22/36/350272236.db2.gz IGSZUVFGAKMYNK-UHFFFAOYSA-N 1 2 244.320 -0.264 20 0 BBADLO C[NH+]1CCN(C(=O)c2cc3n(n2)CCO3)CC1 ZINC000223822287 173070572 /nfs/dbraw/zinc/07/05/72/173070572.db2.gz ZAEFXFCAKDRXTN-UHFFFAOYSA-N 1 2 236.275 -0.337 20 0 BBADLO CCNS(=O)(=O)CC[NH2+]Cc1ncc[nH]1 ZINC000225246563 640677934 /nfs/dbraw/zinc/67/79/34/640677934.db2.gz FFXNHEPRZWOGDE-UHFFFAOYSA-N 1 2 232.309 -0.561 20 0 BBADLO CCNS(=O)(=O)CC[NH2+]Cc1nccn1C ZINC000225247418 635405180 /nfs/dbraw/zinc/40/51/80/635405180.db2.gz ACMYHONXTDMKBI-UHFFFAOYSA-N 1 2 246.336 -0.551 20 0 BBADLO CN1CC[N@@H+](C)[C@@H](CNC(=S)NC2CC2)C1 ZINC000225725447 640708966 /nfs/dbraw/zinc/70/89/66/640708966.db2.gz OVUCNIIVVZBBGJ-JTQLQIEISA-N 1 2 242.392 -0.141 20 0 BBADLO CN1CC[N@H+](C)[C@@H](CNC(=S)NC2CC2)C1 ZINC000225725447 640708960 /nfs/dbraw/zinc/70/89/60/640708960.db2.gz OVUCNIIVVZBBGJ-JTQLQIEISA-N 1 2 242.392 -0.141 20 0 BBADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NC2CC2)C1 ZINC000225826129 536408660 /nfs/dbraw/zinc/40/86/60/536408660.db2.gz UJHZTGJYWXQLJB-JTQLQIEISA-N 1 2 226.324 -0.306 20 0 BBADLO CN1CC[N@H+](C)[C@@H](CNC(=O)NC2CC2)C1 ZINC000225826129 536408657 /nfs/dbraw/zinc/40/86/57/536408657.db2.gz UJHZTGJYWXQLJB-JTQLQIEISA-N 1 2 226.324 -0.306 20 0 BBADLO CCOC(=O)C[N@@H+](C)C[C@@H]1CCC(=O)N1 ZINC000226017424 360519472 /nfs/dbraw/zinc/51/94/72/360519472.db2.gz FENBQKPRICMIOZ-QMMMGPOBSA-N 1 2 214.265 -0.240 20 0 BBADLO CCOC(=O)C[N@H+](C)C[C@@H]1CCC(=O)N1 ZINC000226017424 360519467 /nfs/dbraw/zinc/51/94/67/360519467.db2.gz FENBQKPRICMIOZ-QMMMGPOBSA-N 1 2 214.265 -0.240 20 0 BBADLO C[C@@]1(O)CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000226206304 388347709 /nfs/dbraw/zinc/34/77/09/388347709.db2.gz JPCDPQQCNBCJIV-SNVBAGLBSA-N 1 2 223.280 -0.035 20 0 BBADLO C[C@@]1(O)CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000226206304 388347708 /nfs/dbraw/zinc/34/77/08/388347708.db2.gz JPCDPQQCNBCJIV-SNVBAGLBSA-N 1 2 223.280 -0.035 20 0 BBADLO C[C@]1(O)CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000226206314 388347725 /nfs/dbraw/zinc/34/77/25/388347725.db2.gz JPCDPQQCNBCJIV-JTQLQIEISA-N 1 2 223.280 -0.035 20 0 BBADLO C[C@]1(O)CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000226206314 388347723 /nfs/dbraw/zinc/34/77/23/388347723.db2.gz JPCDPQQCNBCJIV-JTQLQIEISA-N 1 2 223.280 -0.035 20 0 BBADLO O=C(NCC[NH+]1CCSCC1)c1cnn[nH]1 ZINC000226225620 182187779 /nfs/dbraw/zinc/18/77/79/182187779.db2.gz KBPUCDZDYNGDOY-UHFFFAOYSA-N 1 2 241.320 -0.417 20 0 BBADLO O=C(NCC[NH+]1CCSCC1)c1cn[nH]n1 ZINC000226225620 182187777 /nfs/dbraw/zinc/18/77/77/182187777.db2.gz KBPUCDZDYNGDOY-UHFFFAOYSA-N 1 2 241.320 -0.417 20 0 BBADLO CCOC1CC([NH2+]Cc2nnn(C)n2)C1 ZINC000226402350 170329068 /nfs/dbraw/zinc/32/90/68/170329068.db2.gz XZJUIWNNPZBAFO-UHFFFAOYSA-N 1 2 211.269 -0.133 20 0 BBADLO C[C@@H](NC(=O)[C@@H]1CSC[NH2+]1)c1nnc[nH]1 ZINC000226409727 487738823 /nfs/dbraw/zinc/73/88/23/487738823.db2.gz DBHOYMXXPFNUFE-RITPCOANSA-N 1 2 227.293 -0.356 20 0 BBADLO C[C@H](NC(=O)[C@@H]1CSC[NH2+]1)c1nnc[nH]1 ZINC000226409732 487739311 /nfs/dbraw/zinc/73/93/11/487739311.db2.gz DBHOYMXXPFNUFE-WDSKDSINSA-N 1 2 227.293 -0.356 20 0 BBADLO C[C@@H](NC(=O)[C@H]1CSC[NH2+]1)c1nnc[nH]1 ZINC000226409733 358339526 /nfs/dbraw/zinc/33/95/26/358339526.db2.gz DBHOYMXXPFNUFE-PHDIDXHHSA-N 1 2 227.293 -0.356 20 0 BBADLO C[C@H](NC(=O)[C@H]1CSC[NH2+]1)c1nnc[nH]1 ZINC000226409736 358339112 /nfs/dbraw/zinc/33/91/12/358339112.db2.gz DBHOYMXXPFNUFE-NTSWFWBYSA-N 1 2 227.293 -0.356 20 0 BBADLO COC(=O)[C@@H]1C[C@@H](O)CN1Cc1c[nH+]cn1C ZINC000226575768 385026289 /nfs/dbraw/zinc/02/62/89/385026289.db2.gz MTYAPSYWOBXARM-ZJUUUORDSA-N 1 2 239.275 -0.472 20 0 BBADLO COC(=O)[C@@H]1C[C@H](O)CN1Cc1c[nH+]cn1C ZINC000226575777 385026524 /nfs/dbraw/zinc/02/65/24/385026524.db2.gz MTYAPSYWOBXARM-UWVGGRQHSA-N 1 2 239.275 -0.472 20 0 BBADLO COC(=O)[C@@H]1C[C@@H](O)CN1Cc1[nH+]ccn1C ZINC000226576153 385027644 /nfs/dbraw/zinc/02/76/44/385027644.db2.gz VCVNQFQNIWLRMV-BDAKNGLRSA-N 1 2 239.275 -0.472 20 0 BBADLO COC(=O)[C@@H]1C[C@H](O)CN1Cc1[nH+]ccn1C ZINC000226576159 385026456 /nfs/dbraw/zinc/02/64/56/385026456.db2.gz VCVNQFQNIWLRMV-IUCAKERBSA-N 1 2 239.275 -0.472 20 0 BBADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CC(OC)OC ZINC000226577111 134366721 /nfs/dbraw/zinc/36/67/21/134366721.db2.gz CLEDSYGMQWXGPN-SFYZADRCSA-N 1 2 233.264 -0.787 20 0 BBADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CC(OC)OC ZINC000226577111 134366720 /nfs/dbraw/zinc/36/67/20/134366720.db2.gz CLEDSYGMQWXGPN-SFYZADRCSA-N 1 2 233.264 -0.787 20 0 BBADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CC(OC)OC ZINC000226577118 536529392 /nfs/dbraw/zinc/52/93/92/536529392.db2.gz CLEDSYGMQWXGPN-YUMQZZPRSA-N 1 2 233.264 -0.787 20 0 BBADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CC(OC)OC ZINC000226577118 536529388 /nfs/dbraw/zinc/52/93/88/536529388.db2.gz CLEDSYGMQWXGPN-YUMQZZPRSA-N 1 2 233.264 -0.787 20 0 BBADLO CCOC[C@@H](O)C[N@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000226656773 134368648 /nfs/dbraw/zinc/36/86/48/134368648.db2.gz SWRVCQGVEUYVEG-VHSXEESVSA-N 1 2 247.291 -0.742 20 0 BBADLO CCOC[C@@H](O)C[N@@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000226656773 134368647 /nfs/dbraw/zinc/36/86/47/134368647.db2.gz SWRVCQGVEUYVEG-VHSXEESVSA-N 1 2 247.291 -0.742 20 0 BBADLO CCOC[C@H](O)C[N@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000226656777 134368450 /nfs/dbraw/zinc/36/84/50/134368450.db2.gz SWRVCQGVEUYVEG-NXEZZACHSA-N 1 2 247.291 -0.742 20 0 BBADLO CCOC[C@H](O)C[N@@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000226656777 134368449 /nfs/dbraw/zinc/36/84/49/134368449.db2.gz SWRVCQGVEUYVEG-NXEZZACHSA-N 1 2 247.291 -0.742 20 0 BBADLO COC[C@@H](O)C[N@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC000226755603 134370787 /nfs/dbraw/zinc/37/07/87/134370787.db2.gz XLECURNHFZSMEU-UWVGGRQHSA-N 1 2 247.291 -0.742 20 0 BBADLO COC[C@@H](O)C[N@@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC000226755603 134370786 /nfs/dbraw/zinc/37/07/86/134370786.db2.gz XLECURNHFZSMEU-UWVGGRQHSA-N 1 2 247.291 -0.742 20 0 BBADLO COC[C@H](O)C[N@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC000226755609 134370962 /nfs/dbraw/zinc/37/09/62/134370962.db2.gz XLECURNHFZSMEU-ZJUUUORDSA-N 1 2 247.291 -0.742 20 0 BBADLO COC[C@H](O)C[N@@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC000226755609 134370961 /nfs/dbraw/zinc/37/09/61/134370961.db2.gz XLECURNHFZSMEU-ZJUUUORDSA-N 1 2 247.291 -0.742 20 0 BBADLO CCN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](CO)C1 ZINC000226813163 385059954 /nfs/dbraw/zinc/05/99/54/385059954.db2.gz LTQGAIXATMUDPZ-GHMZBOCLSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CO)C1 ZINC000226813163 385059948 /nfs/dbraw/zinc/05/99/48/385059948.db2.gz LTQGAIXATMUDPZ-GHMZBOCLSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@@H](CO)C1 ZINC000226813168 385060407 /nfs/dbraw/zinc/06/04/07/385060407.db2.gz LTQGAIXATMUDPZ-WDEREUQCSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](CO)C1 ZINC000226813168 385060405 /nfs/dbraw/zinc/06/04/05/385060405.db2.gz LTQGAIXATMUDPZ-WDEREUQCSA-N 1 2 244.335 -0.064 20 0 BBADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCO[C@@H](CO)C1 ZINC000226813358 384713393 /nfs/dbraw/zinc/71/33/93/384713393.db2.gz KGLJVNLHYFNSIG-WCBMZHEXSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCO[C@@H](CO)C1 ZINC000226813358 384713385 /nfs/dbraw/zinc/71/33/85/384713385.db2.gz KGLJVNLHYFNSIG-WCBMZHEXSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@H](C(=O)NC1CC1)[N@H+]1CCO[C@@H](CO)C1 ZINC000226813368 384712664 /nfs/dbraw/zinc/71/26/64/384712664.db2.gz KGLJVNLHYFNSIG-PSASIEDQSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCO[C@@H](CO)C1 ZINC000226813368 384712654 /nfs/dbraw/zinc/71/26/54/384712654.db2.gz KGLJVNLHYFNSIG-PSASIEDQSA-N 1 2 228.292 -0.653 20 0 BBADLO Cn1cc(CC[N@H+]2CCO[C@@H](CO)C2)cn1 ZINC000226814232 385058618 /nfs/dbraw/zinc/05/86/18/385058618.db2.gz UCTYFLGSKWYCKR-LLVKDONJSA-N 1 2 225.292 -0.344 20 0 BBADLO Cn1cc(CC[N@@H+]2CCO[C@@H](CO)C2)cn1 ZINC000226814232 385058608 /nfs/dbraw/zinc/05/86/08/385058608.db2.gz UCTYFLGSKWYCKR-LLVKDONJSA-N 1 2 225.292 -0.344 20 0 BBADLO Cn1cc(CC[N@H+]2CCO[C@H](CO)C2)cn1 ZINC000226814241 386398505 /nfs/dbraw/zinc/39/85/05/386398505.db2.gz UCTYFLGSKWYCKR-NSHDSACASA-N 1 2 225.292 -0.344 20 0 BBADLO Cn1cc(CC[N@@H+]2CCO[C@H](CO)C2)cn1 ZINC000226814241 386398503 /nfs/dbraw/zinc/39/85/03/386398503.db2.gz UCTYFLGSKWYCKR-NSHDSACASA-N 1 2 225.292 -0.344 20 0 BBADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCO[C@@H](CO)C1 ZINC000226815624 388355233 /nfs/dbraw/zinc/35/52/33/388355233.db2.gz HLGVEUHSADBILI-VHSXEESVSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCO[C@@H](CO)C1 ZINC000226815624 388355229 /nfs/dbraw/zinc/35/52/29/388355229.db2.gz HLGVEUHSADBILI-VHSXEESVSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCO[C@@H](CO)C1 ZINC000226815633 388355527 /nfs/dbraw/zinc/35/55/27/388355527.db2.gz HLGVEUHSADBILI-NXEZZACHSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCO[C@@H](CO)C1 ZINC000226815633 388355526 /nfs/dbraw/zinc/35/55/26/388355526.db2.gz HLGVEUHSADBILI-NXEZZACHSA-N 1 2 244.335 -0.017 20 0 BBADLO CC(C)OC[C@@H](O)C[N@H+]1CCO[C@@H](CO)C1 ZINC000226839567 167261257 /nfs/dbraw/zinc/26/12/57/167261257.db2.gz PTRUXQNYZIDSIR-WDEREUQCSA-N 1 2 233.308 -0.535 20 0 BBADLO CC(C)OC[C@@H](O)C[N@@H+]1CCO[C@@H](CO)C1 ZINC000226839567 167261256 /nfs/dbraw/zinc/26/12/56/167261256.db2.gz PTRUXQNYZIDSIR-WDEREUQCSA-N 1 2 233.308 -0.535 20 0 BBADLO CC(C)OC[C@H](O)C[N@H+]1CCO[C@@H](CO)C1 ZINC000226839575 167269776 /nfs/dbraw/zinc/26/97/76/167269776.db2.gz PTRUXQNYZIDSIR-GHMZBOCLSA-N 1 2 233.308 -0.535 20 0 BBADLO CC(C)OC[C@H](O)C[N@@H+]1CCO[C@@H](CO)C1 ZINC000226839575 167269775 /nfs/dbraw/zinc/26/97/75/167269775.db2.gz PTRUXQNYZIDSIR-GHMZBOCLSA-N 1 2 233.308 -0.535 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCO[C@@H](CO)C1 ZINC000226839738 385298534 /nfs/dbraw/zinc/29/85/34/385298534.db2.gz IWILDWYBYKVSAQ-DTWKUNHWSA-N 1 2 216.281 -0.844 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCO[C@@H](CO)C1 ZINC000226839738 385298529 /nfs/dbraw/zinc/29/85/29/385298529.db2.gz IWILDWYBYKVSAQ-DTWKUNHWSA-N 1 2 216.281 -0.844 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@H+]1CCO[C@@H](CO)C1 ZINC000226839746 385298372 /nfs/dbraw/zinc/29/83/72/385298372.db2.gz IWILDWYBYKVSAQ-RKDXNWHRSA-N 1 2 216.281 -0.844 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCO[C@@H](CO)C1 ZINC000226839746 385298370 /nfs/dbraw/zinc/29/83/70/385298370.db2.gz IWILDWYBYKVSAQ-RKDXNWHRSA-N 1 2 216.281 -0.844 20 0 BBADLO CC[C@H]1C(=O)NCC[N@@H+]1C[C@@](C)(O)C(=O)OC ZINC000227070834 385086992 /nfs/dbraw/zinc/08/69/92/385086992.db2.gz YFBPBEGHYASDAQ-GZMMTYOYSA-N 1 2 244.291 -0.879 20 0 BBADLO CC[C@H]1C(=O)NCC[N@H+]1C[C@@](C)(O)C(=O)OC ZINC000227070834 385086986 /nfs/dbraw/zinc/08/69/86/385086986.db2.gz YFBPBEGHYASDAQ-GZMMTYOYSA-N 1 2 244.291 -0.879 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@@H+]1C[C@@](C)(O)C(=O)OC ZINC000227070840 345246645 /nfs/dbraw/zinc/24/66/45/345246645.db2.gz YFBPBEGHYASDAQ-LDYMZIIASA-N 1 2 244.291 -0.879 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@H+]1C[C@@](C)(O)C(=O)OC ZINC000227070840 345246644 /nfs/dbraw/zinc/24/66/44/345246644.db2.gz YFBPBEGHYASDAQ-LDYMZIIASA-N 1 2 244.291 -0.879 20 0 BBADLO Cn1nnc(C[N@@H+](C)CCCCCO)n1 ZINC000227119587 536332588 /nfs/dbraw/zinc/33/25/88/536332588.db2.gz RDZBRKNEFZAKPW-UHFFFAOYSA-N 1 2 213.285 -0.196 20 0 BBADLO Cn1nnc(C[N@H+](C)CCCCCO)n1 ZINC000227119587 536332585 /nfs/dbraw/zinc/33/25/85/536332585.db2.gz RDZBRKNEFZAKPW-UHFFFAOYSA-N 1 2 213.285 -0.196 20 0 BBADLO COc1c(N)nc[nH+]c1NC[C@@]1(O)CCOC1 ZINC000227199374 358350472 /nfs/dbraw/zinc/35/04/72/358350472.db2.gz GGJMNCRHAYRRPV-JTQLQIEISA-N 1 2 240.263 -0.369 20 0 BBADLO COc1c(N)[nH+]cnc1NC[C@@]1(O)CCOC1 ZINC000227199374 358350469 /nfs/dbraw/zinc/35/04/69/358350469.db2.gz GGJMNCRHAYRRPV-JTQLQIEISA-N 1 2 240.263 -0.369 20 0 BBADLO COc1c(N)nc[nH+]c1NC[C@]1(O)CCOC1 ZINC000227199380 358350315 /nfs/dbraw/zinc/35/03/15/358350315.db2.gz GGJMNCRHAYRRPV-SNVBAGLBSA-N 1 2 240.263 -0.369 20 0 BBADLO COc1c(N)[nH+]cnc1NC[C@]1(O)CCOC1 ZINC000227199380 358350311 /nfs/dbraw/zinc/35/03/11/358350311.db2.gz GGJMNCRHAYRRPV-SNVBAGLBSA-N 1 2 240.263 -0.369 20 0 BBADLO CO[C@@H](C[NH3+])C(=O)NCCCc1cn[nH]c1C ZINC000227380062 358355126 /nfs/dbraw/zinc/35/51/26/358355126.db2.gz WQNUZEVIBBFDMW-JTQLQIEISA-N 1 2 240.307 -0.259 20 0 BBADLO CO[C@H](C[NH3+])C(=O)NCCCc1cn[nH]c1C ZINC000227380068 358354602 /nfs/dbraw/zinc/35/46/02/358354602.db2.gz WQNUZEVIBBFDMW-SNVBAGLBSA-N 1 2 240.307 -0.259 20 0 BBADLO Cn1nnc(C[NH2+]Cc2ccc(CO)cc2)n1 ZINC000227472660 487930945 /nfs/dbraw/zinc/93/09/45/487930945.db2.gz CUKGBMLWLAWGHM-UHFFFAOYSA-N 1 2 233.275 -0.008 20 0 BBADLO O=C(CCn1cc[nH+]c1)NCCCOCCO ZINC000227510523 386490191 /nfs/dbraw/zinc/49/01/91/386490191.db2.gz YSVSPDYULPSPCL-UHFFFAOYSA-N 1 2 241.291 -0.212 20 0 BBADLO O=C(NCC[NH+]1CCSCC1)c1nc[nH]n1 ZINC000227607910 350502880 /nfs/dbraw/zinc/50/28/80/350502880.db2.gz YOSPIRGVQZSDMD-UHFFFAOYSA-N 1 2 241.320 -0.417 20 0 BBADLO O=C(NCC[NH+]1CCSCC1)c1ncn[nH]1 ZINC000227607910 350502875 /nfs/dbraw/zinc/50/28/75/350502875.db2.gz YOSPIRGVQZSDMD-UHFFFAOYSA-N 1 2 241.320 -0.417 20 0 BBADLO O=C(NCC[NH+]1CCSCC1)c1nnc[nH]1 ZINC000227607910 350502872 /nfs/dbraw/zinc/50/28/72/350502872.db2.gz YOSPIRGVQZSDMD-UHFFFAOYSA-N 1 2 241.320 -0.417 20 0 BBADLO COC(=O)[C@@H]([NH2+]CCN1CCOCC1)C1CC1 ZINC000227766789 536454016 /nfs/dbraw/zinc/45/40/16/536454016.db2.gz LTPBYCIOHSYOQL-NSHDSACASA-N 1 2 242.319 -0.140 20 0 BBADLO COC(=O)[C@H]([NH2+]CCN1CCOCC1)C1CC1 ZINC000227766794 536734526 /nfs/dbraw/zinc/73/45/26/536734526.db2.gz LTPBYCIOHSYOQL-LLVKDONJSA-N 1 2 242.319 -0.140 20 0 BBADLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1c[nH]cn1 ZINC000227768296 134392865 /nfs/dbraw/zinc/39/28/65/134392865.db2.gz LAIYIZKDUVCXDG-MRVPVSSYSA-N 1 2 244.320 -0.266 20 0 BBADLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1c[nH]cn1 ZINC000227768296 134392864 /nfs/dbraw/zinc/39/28/64/134392864.db2.gz LAIYIZKDUVCXDG-MRVPVSSYSA-N 1 2 244.320 -0.266 20 0 BBADLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1c[nH]cn1 ZINC000227768302 134393223 /nfs/dbraw/zinc/39/32/23/134393223.db2.gz LAIYIZKDUVCXDG-QMMMGPOBSA-N 1 2 244.320 -0.266 20 0 BBADLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1c[nH]cn1 ZINC000227768302 134393222 /nfs/dbraw/zinc/39/32/22/134393222.db2.gz LAIYIZKDUVCXDG-QMMMGPOBSA-N 1 2 244.320 -0.266 20 0 BBADLO COC(=O)[C@@H]([NH2+]CCc1ncn(C)n1)C1CC1 ZINC000227771172 134394123 /nfs/dbraw/zinc/39/41/23/134394123.db2.gz LLSWZQOPKQGSBZ-JTQLQIEISA-N 1 2 238.291 -0.101 20 0 BBADLO COC(=O)[C@H]([NH2+]CCc1ncn(C)n1)C1CC1 ZINC000227771177 536737537 /nfs/dbraw/zinc/73/75/37/536737537.db2.gz LLSWZQOPKQGSBZ-SNVBAGLBSA-N 1 2 238.291 -0.101 20 0 BBADLO Nc1[nH+]cnc(N2CCNC(=O)C2)c1Cl ZINC000227841768 132292002 /nfs/dbraw/zinc/29/20/02/132292002.db2.gz OTYULCQAIRIWJP-UHFFFAOYSA-N 1 2 227.655 -0.352 20 0 BBADLO CNC(=O)CN(C)c1nc[nH+]c(N)c1Cl ZINC000227844006 173271867 /nfs/dbraw/zinc/27/18/67/173271867.db2.gz YJOHBYHCJJCEDY-UHFFFAOYSA-N 1 2 229.671 -0.106 20 0 BBADLO COC(=O)[C@H]1C[N@@H+](C[C@@H](C)OC)CCO1 ZINC000227981494 388764459 /nfs/dbraw/zinc/76/44/59/388764459.db2.gz GAUULQYPQIPELC-RKDXNWHRSA-N 1 2 217.265 -0.105 20 0 BBADLO COC(=O)[C@H]1C[N@H+](C[C@@H](C)OC)CCO1 ZINC000227981494 388764457 /nfs/dbraw/zinc/76/44/57/388764457.db2.gz GAUULQYPQIPELC-RKDXNWHRSA-N 1 2 217.265 -0.105 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000228062581 388767150 /nfs/dbraw/zinc/76/71/50/388767150.db2.gz QZJLXGAFCSOQNY-SFYZADRCSA-N 1 2 211.265 -0.833 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000228062581 388767147 /nfs/dbraw/zinc/76/71/47/388767147.db2.gz QZJLXGAFCSOQNY-SFYZADRCSA-N 1 2 211.265 -0.833 20 0 BBADLO C[C@@H](C(N)=O)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000228062588 388767807 /nfs/dbraw/zinc/76/78/07/388767807.db2.gz QZJLXGAFCSOQNY-YUMQZZPRSA-N 1 2 211.265 -0.833 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000228062588 388767802 /nfs/dbraw/zinc/76/78/02/388767802.db2.gz QZJLXGAFCSOQNY-YUMQZZPRSA-N 1 2 211.265 -0.833 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000228062606 387063810 /nfs/dbraw/zinc/06/38/10/387063810.db2.gz QMJCBFSXDZPHPC-DTWKUNHWSA-N 1 2 225.292 -0.443 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000228062606 387063806 /nfs/dbraw/zinc/06/38/06/387063806.db2.gz QMJCBFSXDZPHPC-DTWKUNHWSA-N 1 2 225.292 -0.443 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000228062623 387064146 /nfs/dbraw/zinc/06/41/46/387064146.db2.gz QMJCBFSXDZPHPC-IUCAKERBSA-N 1 2 225.292 -0.443 20 0 BBADLO CC[C@@H](C(N)=O)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000228062623 387064143 /nfs/dbraw/zinc/06/41/43/387064143.db2.gz QMJCBFSXDZPHPC-IUCAKERBSA-N 1 2 225.292 -0.443 20 0 BBADLO COC[C@@H](C)[N@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000228228243 259375105 /nfs/dbraw/zinc/37/51/05/259375105.db2.gz CSDNMEBIBGQHLC-RKDXNWHRSA-N 1 2 217.265 -0.105 20 0 BBADLO COC[C@@H](C)[N@@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000228228243 259375103 /nfs/dbraw/zinc/37/51/03/259375103.db2.gz CSDNMEBIBGQHLC-RKDXNWHRSA-N 1 2 217.265 -0.105 20 0 BBADLO COC[C@H](C)[N@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000228228253 259375110 /nfs/dbraw/zinc/37/51/10/259375110.db2.gz CSDNMEBIBGQHLC-DTWKUNHWSA-N 1 2 217.265 -0.105 20 0 BBADLO COC[C@H](C)[N@@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000228228253 259375108 /nfs/dbraw/zinc/37/51/08/259375108.db2.gz CSDNMEBIBGQHLC-DTWKUNHWSA-N 1 2 217.265 -0.105 20 0 BBADLO Cn1ccc(C(=O)N2CC[NH+](CCO)CC2)n1 ZINC000228288166 491093126 /nfs/dbraw/zinc/09/31/26/491093126.db2.gz PSKXKPZAVDTQGQ-UHFFFAOYSA-N 1 2 238.291 -0.830 20 0 BBADLO COC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC000228335572 633943786 /nfs/dbraw/zinc/94/37/86/633943786.db2.gz VMMOKDVAOGACDR-BQBZGAKWSA-N 1 2 215.253 -0.710 20 0 BBADLO COC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC000228335572 633943778 /nfs/dbraw/zinc/94/37/78/633943778.db2.gz VMMOKDVAOGACDR-BQBZGAKWSA-N 1 2 215.253 -0.710 20 0 BBADLO COC(=O)[C@H]1C[N@@H+](C[C@@H](C)O)CCO1 ZINC000228484610 387333625 /nfs/dbraw/zinc/33/36/25/387333625.db2.gz OMZRGJKWPMGOMV-HTQZYQBOSA-N 1 2 203.238 -0.759 20 0 BBADLO COC(=O)[C@H]1C[N@H+](C[C@@H](C)O)CCO1 ZINC000228484610 387333620 /nfs/dbraw/zinc/33/36/20/387333620.db2.gz OMZRGJKWPMGOMV-HTQZYQBOSA-N 1 2 203.238 -0.759 20 0 BBADLO COC(=O)C[C@H]1C[N@@H+](C[C@@H](C)O)CCO1 ZINC000228486871 385847544 /nfs/dbraw/zinc/84/75/44/385847544.db2.gz ZEUWSCCRYFCCTP-BDAKNGLRSA-N 1 2 217.265 -0.369 20 0 BBADLO COC(=O)C[C@H]1C[N@H+](C[C@@H](C)O)CCO1 ZINC000228486871 385847540 /nfs/dbraw/zinc/84/75/40/385847540.db2.gz ZEUWSCCRYFCCTP-BDAKNGLRSA-N 1 2 217.265 -0.369 20 0 BBADLO Nc1cnc(C(=O)N2CC[NH+](C3CC3)CC2)cn1 ZINC000228575837 358380211 /nfs/dbraw/zinc/38/02/11/358380211.db2.gz ONHOKFKKWZEQEE-UHFFFAOYSA-N 1 2 247.302 -0.021 20 0 BBADLO C[NH+]1CCN(C(=O)c2cnc(N)cn2)CC1 ZINC000228577282 358380215 /nfs/dbraw/zinc/38/02/15/358380215.db2.gz OBNJWBVHXCFGAN-UHFFFAOYSA-N 1 2 221.264 -0.554 20 0 BBADLO CCc1cc(NC[C@@H](O)C(N)=O)nc[nH+]1 ZINC000228596704 491132386 /nfs/dbraw/zinc/13/23/86/491132386.db2.gz CFQLLNRVZYSTAI-SSDOTTSWSA-N 1 2 210.237 -0.703 20 0 BBADLO CCc1cc(NC[C@H](O)C(N)=O)nc[nH+]1 ZINC000228596711 491096008 /nfs/dbraw/zinc/09/60/08/491096008.db2.gz CFQLLNRVZYSTAI-ZETCQYMHSA-N 1 2 210.237 -0.703 20 0 BBADLO CC(C)OC[C@@H](O)C[NH2+]CC(F)(F)CO ZINC000228737432 358384724 /nfs/dbraw/zinc/38/47/24/358384724.db2.gz RVEBIFNFOOVXAU-QMMMGPOBSA-N 1 2 227.251 -0.011 20 0 BBADLO CC(C)OC[C@H](O)C[NH2+]CC(F)(F)CO ZINC000228737439 358384383 /nfs/dbraw/zinc/38/43/83/358384383.db2.gz RVEBIFNFOOVXAU-MRVPVSSYSA-N 1 2 227.251 -0.011 20 0 BBADLO CCOC[C@@H](O)C[NH2+]CC(F)(F)CO ZINC000228747235 358385594 /nfs/dbraw/zinc/38/55/94/358385594.db2.gz PXPGQABWWNTRQS-ZETCQYMHSA-N 1 2 213.224 -0.399 20 0 BBADLO CCOC[C@H](O)C[NH2+]CC(F)(F)CO ZINC000228747249 358385416 /nfs/dbraw/zinc/38/54/16/358385416.db2.gz PXPGQABWWNTRQS-SSDOTTSWSA-N 1 2 213.224 -0.399 20 0 BBADLO OCC(F)(F)C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000228754288 487721833 /nfs/dbraw/zinc/72/18/33/487721833.db2.gz FCYFBIAIHVOMNP-MRVPVSSYSA-N 1 2 235.234 -0.539 20 0 BBADLO OCC(F)(F)C[NH2+]C[C@H](O)Cn1cccn1 ZINC000228754297 487721376 /nfs/dbraw/zinc/72/13/76/487721376.db2.gz FCYFBIAIHVOMNP-QMMMGPOBSA-N 1 2 235.234 -0.539 20 0 BBADLO COCCOC[C@@H](O)C[NH2+]CC(F)(F)CO ZINC000228756802 358385644 /nfs/dbraw/zinc/38/56/44/358385644.db2.gz YAHJCQBFYHAINZ-QMMMGPOBSA-N 1 2 243.250 -0.773 20 0 BBADLO COCCOC[C@H](O)C[NH2+]CC(F)(F)CO ZINC000228756807 358385437 /nfs/dbraw/zinc/38/54/37/358385437.db2.gz YAHJCQBFYHAINZ-MRVPVSSYSA-N 1 2 243.250 -0.773 20 0 BBADLO O=C1C[C@@H]([NH2+]CC(F)(F)CO)CCCN1 ZINC000228760996 487722119 /nfs/dbraw/zinc/72/21/19/487722119.db2.gz SOBAYEICCBTUFU-ZETCQYMHSA-N 1 2 222.235 -0.128 20 0 BBADLO O=C1C[C@H]([NH2+]CC(F)(F)CO)CCCN1 ZINC000228761010 487722185 /nfs/dbraw/zinc/72/21/85/487722185.db2.gz SOBAYEICCBTUFU-SSDOTTSWSA-N 1 2 222.235 -0.128 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000228944233 491113557 /nfs/dbraw/zinc/11/35/57/491113557.db2.gz RYCIRHYVLHCUBQ-DTWKUNHWSA-N 1 2 230.308 -0.278 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000228944233 491113554 /nfs/dbraw/zinc/11/35/54/491113554.db2.gz RYCIRHYVLHCUBQ-DTWKUNHWSA-N 1 2 230.308 -0.278 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000228944243 487764414 /nfs/dbraw/zinc/76/44/14/487764414.db2.gz RYCIRHYVLHCUBQ-IUCAKERBSA-N 1 2 230.308 -0.278 20 0 BBADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000228944243 487764407 /nfs/dbraw/zinc/76/44/07/487764407.db2.gz RYCIRHYVLHCUBQ-IUCAKERBSA-N 1 2 230.308 -0.278 20 0 BBADLO CN1CC[C@H]([N@H+]2C[C@@H](CO)OC(C)(C)C2)C1=O ZINC000228950685 387131289 /nfs/dbraw/zinc/13/12/89/387131289.db2.gz NZCHDOSLRWDHAI-UWVGGRQHSA-N 1 2 242.319 -0.311 20 0 BBADLO CN1CC[C@H]([N@@H+]2C[C@@H](CO)OC(C)(C)C2)C1=O ZINC000228950685 387131285 /nfs/dbraw/zinc/13/12/85/387131285.db2.gz NZCHDOSLRWDHAI-UWVGGRQHSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000228953024 387132846 /nfs/dbraw/zinc/13/28/46/387132846.db2.gz QMKSXZIXYJBUEG-ZJUUUORDSA-N 1 2 244.335 -0.065 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000228953024 387132843 /nfs/dbraw/zinc/13/28/43/387132843.db2.gz QMKSXZIXYJBUEG-ZJUUUORDSA-N 1 2 244.335 -0.065 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000228953039 387132766 /nfs/dbraw/zinc/13/27/66/387132766.db2.gz QMKSXZIXYJBUEG-UWVGGRQHSA-N 1 2 244.335 -0.065 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000228953039 387132763 /nfs/dbraw/zinc/13/27/63/387132763.db2.gz QMKSXZIXYJBUEG-UWVGGRQHSA-N 1 2 244.335 -0.065 20 0 BBADLO Cn1nnc(C[NH2+]C(C)(C)C(C)(C)O)n1 ZINC000229159463 411495339 /nfs/dbraw/zinc/49/53/39/411495339.db2.gz PYFWGXVNYZKRLQ-UHFFFAOYSA-N 1 2 213.285 -0.151 20 0 BBADLO CCn1ccnc1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000229214460 352652612 /nfs/dbraw/zinc/65/26/12/352652612.db2.gz VJUZBNFWZUHEEZ-IUCAKERBSA-N 1 2 211.265 -0.560 20 0 BBADLO CCn1ccnc1C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000229214474 352652745 /nfs/dbraw/zinc/65/27/45/352652745.db2.gz VJUZBNFWZUHEEZ-RKDXNWHRSA-N 1 2 211.265 -0.560 20 0 BBADLO Cc1nn(C)c(Cl)c1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000229214996 180352123 /nfs/dbraw/zinc/35/21/23/180352123.db2.gz MKSFTLCCKYTHJI-IUCAKERBSA-N 1 2 245.710 -0.081 20 0 BBADLO Cc1nn(C)c(Cl)c1C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000229215007 180352235 /nfs/dbraw/zinc/35/22/35/180352235.db2.gz MKSFTLCCKYTHJI-RKDXNWHRSA-N 1 2 245.710 -0.081 20 0 BBADLO CNc1cc(N[C@@H]2CNC(=O)C2)[nH+]cn1 ZINC000229378180 640951141 /nfs/dbraw/zinc/95/11/41/640951141.db2.gz YBWZNDBOHWDRPE-LURJTMIESA-N 1 2 207.237 -0.181 20 0 BBADLO CNc1cc(N[C@@H]2CNC(=O)C2)nc[nH+]1 ZINC000229378180 640951139 /nfs/dbraw/zinc/95/11/39/640951139.db2.gz YBWZNDBOHWDRPE-LURJTMIESA-N 1 2 207.237 -0.181 20 0 BBADLO CNc1cc(N[C@H]2CNC(=O)C2)[nH+]cn1 ZINC000229378191 640950994 /nfs/dbraw/zinc/95/09/94/640950994.db2.gz YBWZNDBOHWDRPE-ZCFIWIBFSA-N 1 2 207.237 -0.181 20 0 BBADLO CNc1cc(N[C@H]2CNC(=O)C2)nc[nH+]1 ZINC000229378191 640950991 /nfs/dbraw/zinc/95/09/91/640950991.db2.gz YBWZNDBOHWDRPE-ZCFIWIBFSA-N 1 2 207.237 -0.181 20 0 BBADLO COc1c(N)nc[nH+]c1N[C@@H]1CNC(=O)C1 ZINC000229382763 388787814 /nfs/dbraw/zinc/78/78/14/388787814.db2.gz UBIMBTOBINHHFR-YFKPBYRVSA-N 1 2 223.236 -0.632 20 0 BBADLO COc1c(N)[nH+]cnc1N[C@@H]1CNC(=O)C1 ZINC000229382763 388787812 /nfs/dbraw/zinc/78/78/12/388787812.db2.gz UBIMBTOBINHHFR-YFKPBYRVSA-N 1 2 223.236 -0.632 20 0 BBADLO COc1c(N)nc[nH+]c1N[C@H]1CNC(=O)C1 ZINC000229382775 259309405 /nfs/dbraw/zinc/30/94/05/259309405.db2.gz UBIMBTOBINHHFR-RXMQYKEDSA-N 1 2 223.236 -0.632 20 0 BBADLO COc1c(N)[nH+]cnc1N[C@H]1CNC(=O)C1 ZINC000229382775 259309404 /nfs/dbraw/zinc/30/94/04/259309404.db2.gz UBIMBTOBINHHFR-RXMQYKEDSA-N 1 2 223.236 -0.632 20 0 BBADLO CNc1cc(N[C@@H](CO)COC)[nH+]cn1 ZINC000229389309 640952778 /nfs/dbraw/zinc/95/27/78/640952778.db2.gz HKJWASKECSGZMG-ZETCQYMHSA-N 1 2 212.253 -0.063 20 0 BBADLO CNc1cc(N[C@@H](CO)COC)nc[nH+]1 ZINC000229389309 640952775 /nfs/dbraw/zinc/95/27/75/640952775.db2.gz HKJWASKECSGZMG-ZETCQYMHSA-N 1 2 212.253 -0.063 20 0 BBADLO CNc1cc(N[C@H](CO)COC)[nH+]cn1 ZINC000229389324 640952119 /nfs/dbraw/zinc/95/21/19/640952119.db2.gz HKJWASKECSGZMG-SSDOTTSWSA-N 1 2 212.253 -0.063 20 0 BBADLO CNc1cc(N[C@H](CO)COC)nc[nH+]1 ZINC000229389324 640952116 /nfs/dbraw/zinc/95/21/16/640952116.db2.gz HKJWASKECSGZMG-SSDOTTSWSA-N 1 2 212.253 -0.063 20 0 BBADLO C[C@@H]1C[N@@H+](CCOCCO)CCC1=O ZINC000229506635 388792334 /nfs/dbraw/zinc/79/23/34/388792334.db2.gz NJNDQPXTXLRPJF-SECBINFHSA-N 1 2 201.266 -0.094 20 0 BBADLO C[C@@H]1C[N@H+](CCOCCO)CCC1=O ZINC000229506635 388792331 /nfs/dbraw/zinc/79/23/31/388792331.db2.gz NJNDQPXTXLRPJF-SECBINFHSA-N 1 2 201.266 -0.094 20 0 BBADLO C[C@H]1C[N@@H+](CCOCCO)CCC1=O ZINC000229506648 388792103 /nfs/dbraw/zinc/79/21/03/388792103.db2.gz NJNDQPXTXLRPJF-VIFPVBQESA-N 1 2 201.266 -0.094 20 0 BBADLO C[C@H]1C[N@H+](CCOCCO)CCC1=O ZINC000229506648 388792101 /nfs/dbraw/zinc/79/21/01/388792101.db2.gz NJNDQPXTXLRPJF-VIFPVBQESA-N 1 2 201.266 -0.094 20 0 BBADLO C[C@@H]1C[N@@H+](CCN2CCNC2=O)CCC1=O ZINC000229511915 384877970 /nfs/dbraw/zinc/87/79/70/384877970.db2.gz JUZIICKNDOGRHL-SECBINFHSA-N 1 2 225.292 -0.078 20 0 BBADLO C[C@@H]1C[N@H+](CCN2CCNC2=O)CCC1=O ZINC000229511915 384877962 /nfs/dbraw/zinc/87/79/62/384877962.db2.gz JUZIICKNDOGRHL-SECBINFHSA-N 1 2 225.292 -0.078 20 0 BBADLO C[C@H]1C[N@@H+](CCN2CCNC2=O)CCC1=O ZINC000229511927 345697796 /nfs/dbraw/zinc/69/77/96/345697796.db2.gz JUZIICKNDOGRHL-VIFPVBQESA-N 1 2 225.292 -0.078 20 0 BBADLO C[C@H]1C[N@H+](CCN2CCNC2=O)CCC1=O ZINC000229511927 345697795 /nfs/dbraw/zinc/69/77/95/345697795.db2.gz JUZIICKNDOGRHL-VIFPVBQESA-N 1 2 225.292 -0.078 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000229539462 386407124 /nfs/dbraw/zinc/40/71/24/386407124.db2.gz DOUPJCQIKKTMMY-KWQFWETISA-N 1 2 229.276 -0.179 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000229539462 386407117 /nfs/dbraw/zinc/40/71/17/386407117.db2.gz DOUPJCQIKKTMMY-KWQFWETISA-N 1 2 229.276 -0.179 20 0 BBADLO COC(=O)[C@](C)(O)C[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000229539471 386406461 /nfs/dbraw/zinc/40/64/61/386406461.db2.gz DOUPJCQIKKTMMY-GZMMTYOYSA-N 1 2 229.276 -0.179 20 0 BBADLO COC(=O)[C@](C)(O)C[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000229539471 386406454 /nfs/dbraw/zinc/40/64/54/386406454.db2.gz DOUPJCQIKKTMMY-GZMMTYOYSA-N 1 2 229.276 -0.179 20 0 BBADLO Cn1ncc2c1nc[nH+]c2NC[C@@]1(O)CCOC1 ZINC000229564663 385634203 /nfs/dbraw/zinc/63/42/03/385634203.db2.gz PKPPFXLJCFEPBU-NSHDSACASA-N 1 2 249.274 -0.073 20 0 BBADLO Cn1ncc2c1nc[nH+]c2NC[C@]1(O)CCOC1 ZINC000229564674 385634392 /nfs/dbraw/zinc/63/43/92/385634392.db2.gz PKPPFXLJCFEPBU-LLVKDONJSA-N 1 2 249.274 -0.073 20 0 BBADLO Cc1[nH]ncc1C[NH2+]C[C@@]1(O)CCOC1 ZINC000229642324 388797723 /nfs/dbraw/zinc/79/77/23/388797723.db2.gz LGGHJUFKFDZYPB-JTQLQIEISA-N 1 2 211.265 -0.041 20 0 BBADLO Cc1[nH]ncc1C[NH2+]C[C@]1(O)CCOC1 ZINC000229642330 388798711 /nfs/dbraw/zinc/79/87/11/388798711.db2.gz LGGHJUFKFDZYPB-SNVBAGLBSA-N 1 2 211.265 -0.041 20 0 BBADLO COC[C@@H](CCO)NC(=O)CCn1cc[nH+]c1 ZINC000229794901 387198157 /nfs/dbraw/zinc/19/81/57/387198157.db2.gz WNDNAOACYVICOE-SNVBAGLBSA-N 1 2 241.291 -0.213 20 0 BBADLO COC[C@H](CCO)NC(=O)CCn1cc[nH+]c1 ZINC000229794908 387197327 /nfs/dbraw/zinc/19/73/27/387197327.db2.gz WNDNAOACYVICOE-JTQLQIEISA-N 1 2 241.291 -0.213 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)C[C@@H](CO)O1 ZINC000230002289 388348367 /nfs/dbraw/zinc/34/83/67/388348367.db2.gz YPPBLYVBGIEBCN-GJMOJQLCSA-N 1 2 243.225 -0.009 20 0 BBADLO C[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)C[C@@H](CO)O1 ZINC000230002289 388348364 /nfs/dbraw/zinc/34/83/64/388348364.db2.gz YPPBLYVBGIEBCN-GJMOJQLCSA-N 1 2 243.225 -0.009 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230009088 323176247 /nfs/dbraw/zinc/17/62/47/323176247.db2.gz UTEVVEAYIIAPCG-IWSPIJDZSA-N 1 2 216.281 -0.668 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230009088 323176246 /nfs/dbraw/zinc/17/62/46/323176246.db2.gz UTEVVEAYIIAPCG-IWSPIJDZSA-N 1 2 216.281 -0.668 20 0 BBADLO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H](CO)O1 ZINC000230009116 387225943 /nfs/dbraw/zinc/22/59/43/387225943.db2.gz YPLLGEKCOYMVMT-ZJUUUORDSA-N 1 2 243.307 -0.907 20 0 BBADLO C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H](CO)O1 ZINC000230009116 387225939 /nfs/dbraw/zinc/22/59/39/387225939.db2.gz YPLLGEKCOYMVMT-ZJUUUORDSA-N 1 2 243.307 -0.907 20 0 BBADLO C[C@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H](CO)O1 ZINC000230009121 387227323 /nfs/dbraw/zinc/22/73/23/387227323.db2.gz YPLLGEKCOYMVMT-UWVGGRQHSA-N 1 2 243.307 -0.907 20 0 BBADLO C[C@H]1C[N@H+](CCN2CCNC2=O)C[C@@H](CO)O1 ZINC000230009121 387227315 /nfs/dbraw/zinc/22/73/15/387227315.db2.gz YPLLGEKCOYMVMT-UWVGGRQHSA-N 1 2 243.307 -0.907 20 0 BBADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230009134 388348648 /nfs/dbraw/zinc/34/86/48/388348648.db2.gz DNHWYDYNBNBKRI-GHMZBOCLSA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230009134 388348646 /nfs/dbraw/zinc/34/86/46/388348646.db2.gz DNHWYDYNBNBKRI-GHMZBOCLSA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000230009138 388072720 /nfs/dbraw/zinc/07/27/20/388072720.db2.gz DNHWYDYNBNBKRI-WDEREUQCSA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)N(C)C(=O)C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000230009138 388072718 /nfs/dbraw/zinc/07/27/18/388072718.db2.gz DNHWYDYNBNBKRI-WDEREUQCSA-N 1 2 244.335 -0.065 20 0 BBADLO C[C@@H]1C[N@H+]([C@@H]2CCCCNC2=O)C[C@@H](CO)O1 ZINC000230009153 387227383 /nfs/dbraw/zinc/22/73/83/387227383.db2.gz QYDHOWJSRQQJNG-OUAUKWLOSA-N 1 2 242.319 -0.263 20 0 BBADLO C[C@@H]1C[N@@H+]([C@@H]2CCCCNC2=O)C[C@@H](CO)O1 ZINC000230009153 387227377 /nfs/dbraw/zinc/22/73/77/387227377.db2.gz QYDHOWJSRQQJNG-OUAUKWLOSA-N 1 2 242.319 -0.263 20 0 BBADLO CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230009377 387226929 /nfs/dbraw/zinc/22/69/29/387226929.db2.gz VLXAOMOVNMDEGB-OUAUKWLOSA-N 1 2 244.335 -0.017 20 0 BBADLO CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230009377 387226924 /nfs/dbraw/zinc/22/69/24/387226924.db2.gz VLXAOMOVNMDEGB-OUAUKWLOSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230009400 388072592 /nfs/dbraw/zinc/07/25/92/388072592.db2.gz PXZIFDOKXCDKLD-WCABBAIRSA-N 1 2 242.319 -0.265 20 0 BBADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230009400 388072589 /nfs/dbraw/zinc/07/25/89/388072589.db2.gz PXZIFDOKXCDKLD-WCABBAIRSA-N 1 2 242.319 -0.265 20 0 BBADLO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230009402 388072492 /nfs/dbraw/zinc/07/24/92/388072492.db2.gz PXZIFDOKXCDKLD-FXPVBKGRSA-N 1 2 242.319 -0.265 20 0 BBADLO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230009402 388072488 /nfs/dbraw/zinc/07/24/88/388072488.db2.gz PXZIFDOKXCDKLD-FXPVBKGRSA-N 1 2 242.319 -0.265 20 0 BBADLO C[C@@H]1CN(CC[NH+]2CCOCC2)C[C@@H](CO)O1 ZINC000230010271 387226865 /nfs/dbraw/zinc/22/68/65/387226865.db2.gz GUNFJQUKWSBYII-NEPJUHHUSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@H]1CN(CC[NH+]2CCOCC2)C[C@@H](CO)O1 ZINC000230010275 387227656 /nfs/dbraw/zinc/22/76/56/387227656.db2.gz GUNFJQUKWSBYII-RYUDHWBXSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H](CO)O1 ZINC000230010962 388348588 /nfs/dbraw/zinc/34/85/88/388348588.db2.gz VVUXRATVXVRLIU-SCZZXKLOSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H](CO)O1 ZINC000230010962 388348584 /nfs/dbraw/zinc/34/85/84/388348584.db2.gz VVUXRATVXVRLIU-SCZZXKLOSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H](CO)O1 ZINC000230010966 388348019 /nfs/dbraw/zinc/34/80/19/388348019.db2.gz VVUXRATVXVRLIU-WPRPVWTQSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H](CO)O1 ZINC000230010966 388348018 /nfs/dbraw/zinc/34/80/18/388348018.db2.gz VVUXRATVXVRLIU-WPRPVWTQSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230012156 388348421 /nfs/dbraw/zinc/34/84/21/388348421.db2.gz KPUSGEXEEUMHCC-OPRDCNLKSA-N 1 2 230.308 -0.455 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230012156 388348420 /nfs/dbraw/zinc/34/84/20/388348420.db2.gz KPUSGEXEEUMHCC-OPRDCNLKSA-N 1 2 230.308 -0.455 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H](CO)O1 ZINC000230012939 388348522 /nfs/dbraw/zinc/34/85/22/388348522.db2.gz PJKKKCNNENNIJN-MNOVXSKESA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H](CO)O1 ZINC000230012939 388348519 /nfs/dbraw/zinc/34/85/19/388348519.db2.gz PJKKKCNNENNIJN-MNOVXSKESA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H](CO)O1 ZINC000230012943 388348513 /nfs/dbraw/zinc/34/85/13/388348513.db2.gz PJKKKCNNENNIJN-QWRGUYRKSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H](CO)O1 ZINC000230012943 388348509 /nfs/dbraw/zinc/34/85/09/388348509.db2.gz PJKKKCNNENNIJN-QWRGUYRKSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H](CO)O1 ZINC000230013027 388348401 /nfs/dbraw/zinc/34/84/01/388348401.db2.gz IOPZWSZOCQRZMP-ZJUUUORDSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@@H](CO)O1 ZINC000230013027 388348397 /nfs/dbraw/zinc/34/83/97/388348397.db2.gz IOPZWSZOCQRZMP-ZJUUUORDSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H](CO)O1 ZINC000230013033 388348349 /nfs/dbraw/zinc/34/83/49/388348349.db2.gz IOPZWSZOCQRZMP-UWVGGRQHSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@@H](CO)O1 ZINC000230013033 388348347 /nfs/dbraw/zinc/34/83/47/388348347.db2.gz IOPZWSZOCQRZMP-UWVGGRQHSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@@H](CO)O1 ZINC000230013684 387235205 /nfs/dbraw/zinc/23/52/05/387235205.db2.gz XFYXRQNVJMYAST-KOLCDFICSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@@H](CO)O1 ZINC000230013684 387235201 /nfs/dbraw/zinc/23/52/01/387235201.db2.gz XFYXRQNVJMYAST-KOLCDFICSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@@H](CO)O1 ZINC000230013689 387234966 /nfs/dbraw/zinc/23/49/66/387234966.db2.gz XFYXRQNVJMYAST-ONGXEEELSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@@H](CO)O1 ZINC000230013689 387234961 /nfs/dbraw/zinc/23/49/61/387234961.db2.gz XFYXRQNVJMYAST-ONGXEEELSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@@H](CO)O1 ZINC000230014458 388348229 /nfs/dbraw/zinc/34/82/29/388348229.db2.gz RNZGVIOXCGGNNI-KXUCPTDWSA-N 1 2 228.292 -0.701 20 0 BBADLO C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@@H](CO)O1 ZINC000230014458 388348227 /nfs/dbraw/zinc/34/82/27/388348227.db2.gz RNZGVIOXCGGNNI-KXUCPTDWSA-N 1 2 228.292 -0.701 20 0 BBADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230016034 387225660 /nfs/dbraw/zinc/22/56/60/387225660.db2.gz GMICEMXRUHZYDF-GHMZBOCLSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230016034 387225657 /nfs/dbraw/zinc/22/56/57/387225657.db2.gz GMICEMXRUHZYDF-GHMZBOCLSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(CC)C(=O)C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000230016038 387227526 /nfs/dbraw/zinc/22/75/26/387227526.db2.gz GMICEMXRUHZYDF-WDEREUQCSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(CC)C(=O)C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000230016038 387227522 /nfs/dbraw/zinc/22/75/22/387227522.db2.gz GMICEMXRUHZYDF-WDEREUQCSA-N 1 2 244.335 -0.064 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H](CO)O1 ZINC000230016042 388348250 /nfs/dbraw/zinc/34/82/50/388348250.db2.gz CTIQLYFZELFWJO-BDAKNGLRSA-N 1 2 216.281 -0.844 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H](CO)O1 ZINC000230016042 388348248 /nfs/dbraw/zinc/34/82/48/388348248.db2.gz CTIQLYFZELFWJO-BDAKNGLRSA-N 1 2 216.281 -0.844 20 0 BBADLO C[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H](CO)O1 ZINC000230016044 388348722 /nfs/dbraw/zinc/34/87/22/388348722.db2.gz CTIQLYFZELFWJO-IUCAKERBSA-N 1 2 216.281 -0.844 20 0 BBADLO C[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H](CO)O1 ZINC000230016044 388348718 /nfs/dbraw/zinc/34/87/18/388348718.db2.gz CTIQLYFZELFWJO-IUCAKERBSA-N 1 2 216.281 -0.844 20 0 BBADLO CCN(C)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230016681 388348111 /nfs/dbraw/zinc/34/81/11/388348111.db2.gz OMRLYESFOSSURO-NXEZZACHSA-N 1 2 230.308 -0.454 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230016681 388348110 /nfs/dbraw/zinc/34/81/10/388348110.db2.gz OMRLYESFOSSURO-NXEZZACHSA-N 1 2 230.308 -0.454 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000230016685 388348945 /nfs/dbraw/zinc/34/89/45/388348945.db2.gz OMRLYESFOSSURO-VHSXEESVSA-N 1 2 230.308 -0.454 20 0 BBADLO CCN(C)C(=O)C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000230016685 388348944 /nfs/dbraw/zinc/34/89/44/388348944.db2.gz OMRLYESFOSSURO-VHSXEESVSA-N 1 2 230.308 -0.454 20 0 BBADLO CCNC(=O)C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230016985 388348377 /nfs/dbraw/zinc/34/83/77/388348377.db2.gz SFHNUCKRFQEAEO-RKDXNWHRSA-N 1 2 216.281 -0.796 20 0 BBADLO CCNC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230016985 388348375 /nfs/dbraw/zinc/34/83/75/388348375.db2.gz SFHNUCKRFQEAEO-RKDXNWHRSA-N 1 2 216.281 -0.796 20 0 BBADLO CCNC(=O)C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000230016991 388348800 /nfs/dbraw/zinc/34/88/00/388348800.db2.gz SFHNUCKRFQEAEO-DTWKUNHWSA-N 1 2 216.281 -0.796 20 0 BBADLO CCNC(=O)C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000230016991 388348798 /nfs/dbraw/zinc/34/87/98/388348798.db2.gz SFHNUCKRFQEAEO-DTWKUNHWSA-N 1 2 216.281 -0.796 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H](CO)O1 ZINC000230017327 388873396 /nfs/dbraw/zinc/87/33/96/388873396.db2.gz SONUAGGZIGHJPQ-ZJUUUORDSA-N 1 2 228.292 -0.700 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H](CO)O1 ZINC000230017327 388873394 /nfs/dbraw/zinc/87/33/94/388873394.db2.gz SONUAGGZIGHJPQ-ZJUUUORDSA-N 1 2 228.292 -0.700 20 0 BBADLO C[C@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H](CO)O1 ZINC000230017330 388872889 /nfs/dbraw/zinc/87/28/89/388872889.db2.gz SONUAGGZIGHJPQ-UWVGGRQHSA-N 1 2 228.292 -0.700 20 0 BBADLO C[C@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H](CO)O1 ZINC000230017330 388872885 /nfs/dbraw/zinc/87/28/85/388872885.db2.gz SONUAGGZIGHJPQ-UWVGGRQHSA-N 1 2 228.292 -0.700 20 0 BBADLO CNc1cnc(C(=O)N2CC[NH+](C)CC2)cn1 ZINC000230092618 350594780 /nfs/dbraw/zinc/59/47/80/350594780.db2.gz GUMNEPREOPATMR-UHFFFAOYSA-N 1 2 235.291 -0.094 20 0 BBADLO CC(C)(O)C(=O)NCC[NH+]1CCOCC1 ZINC000230100690 388814229 /nfs/dbraw/zinc/81/42/29/388814229.db2.gz YDQNGGLPCGMQEC-UHFFFAOYSA-N 1 2 216.281 -0.794 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(C)(C)O ZINC000230102103 135019726 /nfs/dbraw/zinc/01/97/26/135019726.db2.gz IUMIZHSNSPNOHB-VIFPVBQESA-N 1 2 230.308 -0.406 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(C)(C)O ZINC000230102110 387252319 /nfs/dbraw/zinc/25/23/19/387252319.db2.gz IUMIZHSNSPNOHB-SECBINFHSA-N 1 2 230.308 -0.406 20 0 BBADLO COC[C@@H](O)CCNc1[nH+]cnc(N)c1OC ZINC000230190531 358395519 /nfs/dbraw/zinc/39/55/19/358395519.db2.gz QENWCBLHKUFIFT-ZETCQYMHSA-N 1 2 242.279 -0.123 20 0 BBADLO COC[C@@H](O)CCNc1nc[nH+]c(N)c1OC ZINC000230190531 358395517 /nfs/dbraw/zinc/39/55/17/358395517.db2.gz QENWCBLHKUFIFT-ZETCQYMHSA-N 1 2 242.279 -0.123 20 0 BBADLO COC[C@H](O)CCNc1[nH+]cnc(N)c1OC ZINC000230190537 358395622 /nfs/dbraw/zinc/39/56/22/358395622.db2.gz QENWCBLHKUFIFT-SSDOTTSWSA-N 1 2 242.279 -0.123 20 0 BBADLO COC[C@H](O)CCNc1nc[nH+]c(N)c1OC ZINC000230190537 358395620 /nfs/dbraw/zinc/39/56/20/358395620.db2.gz QENWCBLHKUFIFT-SSDOTTSWSA-N 1 2 242.279 -0.123 20 0 BBADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cn(C)nn2)C1 ZINC000230350925 363305271 /nfs/dbraw/zinc/30/52/71/363305271.db2.gz RWTMEFSUYCHIKU-MRVPVSSYSA-N 1 2 224.264 -0.190 20 0 BBADLO COC(=O)[C@@H]1CC[N@H+](Cc2cn(C)nn2)C1 ZINC000230350925 363305267 /nfs/dbraw/zinc/30/52/67/363305267.db2.gz RWTMEFSUYCHIKU-MRVPVSSYSA-N 1 2 224.264 -0.190 20 0 BBADLO COC(=O)[C@H]1CC[N@@H+](Cc2cn(C)nn2)C1 ZINC000230350929 363305343 /nfs/dbraw/zinc/30/53/43/363305343.db2.gz RWTMEFSUYCHIKU-QMMMGPOBSA-N 1 2 224.264 -0.190 20 0 BBADLO COC(=O)[C@H]1CC[N@H+](Cc2cn(C)nn2)C1 ZINC000230350929 363305340 /nfs/dbraw/zinc/30/53/40/363305340.db2.gz RWTMEFSUYCHIKU-QMMMGPOBSA-N 1 2 224.264 -0.190 20 0 BBADLO COC(=O)CC[N@@H+](C)Cc1cn(C)nn1 ZINC000230351035 369437440 /nfs/dbraw/zinc/43/74/40/369437440.db2.gz STDHWHMETLIZBE-UHFFFAOYSA-N 1 2 212.253 -0.190 20 0 BBADLO COC(=O)CC[N@H+](C)Cc1cn(C)nn1 ZINC000230351035 369437434 /nfs/dbraw/zinc/43/74/34/369437434.db2.gz STDHWHMETLIZBE-UHFFFAOYSA-N 1 2 212.253 -0.190 20 0 BBADLO COCC[N@@H+](CCO)Cc1cn(C)nn1 ZINC000230351063 388823817 /nfs/dbraw/zinc/82/38/17/388823817.db2.gz FJDULCZURLXQOJ-UHFFFAOYSA-N 1 2 214.269 -0.744 20 0 BBADLO COCC[N@H+](CCO)Cc1cn(C)nn1 ZINC000230351063 388823814 /nfs/dbraw/zinc/82/38/14/388823814.db2.gz FJDULCZURLXQOJ-UHFFFAOYSA-N 1 2 214.269 -0.744 20 0 BBADLO Cn1nnc(C[N@H+]2CCC[C@@](C)(O)CC2)n1 ZINC000230379757 136228348 /nfs/dbraw/zinc/22/83/48/136228348.db2.gz IWDLQTYLRJAZBM-SNVBAGLBSA-N 1 2 225.296 -0.053 20 0 BBADLO Cn1nnc(C[N@@H+]2CCC[C@@](C)(O)CC2)n1 ZINC000230379757 136228347 /nfs/dbraw/zinc/22/83/47/136228347.db2.gz IWDLQTYLRJAZBM-SNVBAGLBSA-N 1 2 225.296 -0.053 20 0 BBADLO Cn1nnc(C[N@H+]2CCC[C@](C)(O)CC2)n1 ZINC000230379759 136228379 /nfs/dbraw/zinc/22/83/79/136228379.db2.gz IWDLQTYLRJAZBM-JTQLQIEISA-N 1 2 225.296 -0.053 20 0 BBADLO Cn1nnc(C[N@@H+]2CCC[C@](C)(O)CC2)n1 ZINC000230379759 136228378 /nfs/dbraw/zinc/22/83/78/136228378.db2.gz IWDLQTYLRJAZBM-JTQLQIEISA-N 1 2 225.296 -0.053 20 0 BBADLO COc1c(N)nc[nH+]c1NCC(C)(C)C(N)=O ZINC000230413871 259319993 /nfs/dbraw/zinc/31/99/93/259319993.db2.gz GRNRMYBNCZEGHS-UHFFFAOYSA-N 1 2 239.279 -0.009 20 0 BBADLO COc1c(N)[nH+]cnc1NCC(C)(C)C(N)=O ZINC000230413871 259319992 /nfs/dbraw/zinc/31/99/92/259319992.db2.gz GRNRMYBNCZEGHS-UHFFFAOYSA-N 1 2 239.279 -0.009 20 0 BBADLO Cn1cc(C[NH2+]C[C@@H](O)C(F)(F)F)nn1 ZINC000230646464 363315447 /nfs/dbraw/zinc/31/54/47/363315447.db2.gz YWHRUVJACAODAA-ZCFIWIBFSA-N 1 2 224.186 -0.172 20 0 BBADLO Cn1cc(C[NH2+]C[C@H](O)C(F)(F)F)nn1 ZINC000230646471 363315690 /nfs/dbraw/zinc/31/56/90/363315690.db2.gz YWHRUVJACAODAA-LURJTMIESA-N 1 2 224.186 -0.172 20 0 BBADLO Cn1cc(CNCC[NH+]2CCSCC2)nn1 ZINC000230659563 357546531 /nfs/dbraw/zinc/54/65/31/357546531.db2.gz QJMMHMJSHNMWLU-UHFFFAOYSA-N 1 2 241.364 -0.047 20 0 BBADLO COc1c(N)nc[nH+]c1NCCCOCCO ZINC000230795778 259649843 /nfs/dbraw/zinc/64/98/43/259649843.db2.gz DXYOWQQHBWLAOD-UHFFFAOYSA-N 1 2 242.279 -0.122 20 0 BBADLO COc1c(N)[nH+]cnc1NCCCOCCO ZINC000230795778 259649841 /nfs/dbraw/zinc/64/98/41/259649841.db2.gz DXYOWQQHBWLAOD-UHFFFAOYSA-N 1 2 242.279 -0.122 20 0 BBADLO Cn1nccc1CC[N@H+]1CCOC[C@H]1CO ZINC000230887134 488169977 /nfs/dbraw/zinc/16/99/77/488169977.db2.gz QJPNMVPQDORDLR-LLVKDONJSA-N 1 2 225.292 -0.344 20 0 BBADLO Cn1nccc1CC[N@@H+]1CCOC[C@H]1CO ZINC000230887134 488169971 /nfs/dbraw/zinc/16/99/71/488169971.db2.gz QJPNMVPQDORDLR-LLVKDONJSA-N 1 2 225.292 -0.344 20 0 BBADLO Cn1ncnc1CNCC[NH+]1CCSCC1 ZINC000230935580 488173839 /nfs/dbraw/zinc/17/38/39/488173839.db2.gz YPGVEOKOANPIEY-UHFFFAOYSA-N 1 2 241.364 -0.047 20 0 BBADLO CN(C)S(=O)(=O)CC[NH2+]Cc1ncc[nH]1 ZINC000230987720 357585768 /nfs/dbraw/zinc/58/57/68/357585768.db2.gz HVKNEMFYUNZAFP-UHFFFAOYSA-N 1 2 232.309 -0.609 20 0 BBADLO CN(C)S(=O)(=O)CC[NH2+]Cc1nccn1C ZINC000230993033 357587486 /nfs/dbraw/zinc/58/74/86/357587486.db2.gz UTJIJKKPRKCQIJ-UHFFFAOYSA-N 1 2 246.336 -0.599 20 0 BBADLO CN(C)S(=O)(=O)CC[NH2+]Cc1cc[nH]n1 ZINC000230994715 384523289 /nfs/dbraw/zinc/52/32/89/384523289.db2.gz FKGVDWCFPAJLJQ-UHFFFAOYSA-N 1 2 232.309 -0.609 20 0 BBADLO O[C@@H]1C[N@H+](Cc2cnc(Cl)cn2)C[C@@H]1O ZINC000231293634 372015952 /nfs/dbraw/zinc/01/59/52/372015952.db2.gz DXEDQCLXVLSHLY-OCAPTIKFSA-N 1 2 229.667 -0.333 20 0 BBADLO O[C@@H]1C[N@@H+](Cc2cnc(Cl)cn2)C[C@@H]1O ZINC000231293634 372015945 /nfs/dbraw/zinc/01/59/45/372015945.db2.gz DXEDQCLXVLSHLY-OCAPTIKFSA-N 1 2 229.667 -0.333 20 0 BBADLO CC(C)[N@@H+](CC(N)=O)Cc1cnc(N)cn1 ZINC000231297259 641157007 /nfs/dbraw/zinc/15/70/07/641157007.db2.gz BFDAUXJPHRBCLM-UHFFFAOYSA-N 1 2 223.280 -0.246 20 0 BBADLO CC(C)[N@H+](CC(N)=O)Cc1cnc(N)cn1 ZINC000231297259 641157003 /nfs/dbraw/zinc/15/70/03/641157003.db2.gz BFDAUXJPHRBCLM-UHFFFAOYSA-N 1 2 223.280 -0.246 20 0 BBADLO CC[N@@H+](CC(=O)N(C)C)Cc1cnc(N)cn1 ZINC000231297643 641158076 /nfs/dbraw/zinc/15/80/76/641158076.db2.gz WPRQKQDWVJXKGA-UHFFFAOYSA-N 1 2 237.307 -0.031 20 0 BBADLO CC[N@H+](CC(=O)N(C)C)Cc1cnc(N)cn1 ZINC000231297643 641158072 /nfs/dbraw/zinc/15/80/72/641158072.db2.gz WPRQKQDWVJXKGA-UHFFFAOYSA-N 1 2 237.307 -0.031 20 0 BBADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cnc(N)cn1 ZINC000231298499 641157359 /nfs/dbraw/zinc/15/73/59/641157359.db2.gz KUBJVKJRPHTOCP-VIFPVBQESA-N 1 2 235.291 -0.231 20 0 BBADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cnc(N)cn1 ZINC000231298499 641157356 /nfs/dbraw/zinc/15/73/56/641157356.db2.gz KUBJVKJRPHTOCP-VIFPVBQESA-N 1 2 235.291 -0.231 20 0 BBADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cnc(N)cn1 ZINC000231298503 641158471 /nfs/dbraw/zinc/15/84/71/641158471.db2.gz KUBJVKJRPHTOCP-SECBINFHSA-N 1 2 235.291 -0.231 20 0 BBADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cnc(N)cn1 ZINC000231298503 641158466 /nfs/dbraw/zinc/15/84/66/641158466.db2.gz KUBJVKJRPHTOCP-SECBINFHSA-N 1 2 235.291 -0.231 20 0 BBADLO Cc1cnc(C[NH2+]CC(=O)N2CCOCC2)o1 ZINC000231651991 488219427 /nfs/dbraw/zinc/21/94/27/488219427.db2.gz LXNVCHXBSHJFGL-UHFFFAOYSA-N 1 2 239.275 -0.069 20 0 BBADLO C[NH+](C)CC(=O)NCCCc1nc[nH]n1 ZINC000231668027 488221816 /nfs/dbraw/zinc/22/18/16/488221816.db2.gz NOKBNMBKKNVPLD-UHFFFAOYSA-N 1 2 211.269 -0.585 20 0 BBADLO CC[N@@H+](C/C=C(/C)C(=O)OC)CC(N)=O ZINC000231822280 641205311 /nfs/dbraw/zinc/20/53/11/641205311.db2.gz XUEYJBOGOOSLNQ-YVMONPNESA-N 1 2 214.265 -0.087 20 0 BBADLO CC[N@H+](C/C=C(/C)C(=O)OC)CC(N)=O ZINC000231822280 641205304 /nfs/dbraw/zinc/20/53/04/641205304.db2.gz XUEYJBOGOOSLNQ-YVMONPNESA-N 1 2 214.265 -0.087 20 0 BBADLO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC000231846174 353659670 /nfs/dbraw/zinc/65/96/70/353659670.db2.gz IWMWMLMFBJXKAT-MRVPVSSYSA-N 1 2 225.296 -0.229 20 0 BBADLO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC000231846178 353659911 /nfs/dbraw/zinc/65/99/11/353659911.db2.gz IWMWMLMFBJXKAT-QMMMGPOBSA-N 1 2 225.296 -0.229 20 0 BBADLO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ncnn1C ZINC000231849946 487482254 /nfs/dbraw/zinc/48/22/54/487482254.db2.gz DPGZGGQYLDRCPW-MRVPVSSYSA-N 1 2 225.296 -0.229 20 0 BBADLO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ncnn1C ZINC000231849948 487481909 /nfs/dbraw/zinc/48/19/09/487481909.db2.gz DPGZGGQYLDRCPW-QMMMGPOBSA-N 1 2 225.296 -0.229 20 0 BBADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CNC(=O)C1 ZINC000232180707 262917865 /nfs/dbraw/zinc/91/78/65/262917865.db2.gz HJPVVHDLTANLAM-LURJTMIESA-N 1 2 232.247 -0.336 20 0 BBADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CNC(=O)C1 ZINC000232180710 398327646 /nfs/dbraw/zinc/32/76/46/398327646.db2.gz HJPVVHDLTANLAM-ZCFIWIBFSA-N 1 2 232.247 -0.336 20 0 BBADLO CC(C)(O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000232560162 357671129 /nfs/dbraw/zinc/67/11/29/357671129.db2.gz ICUWQFDKSINSHC-SNVBAGLBSA-N 1 2 242.319 -0.310 20 0 BBADLO CC(C)(O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000232560465 357671283 /nfs/dbraw/zinc/67/12/83/357671283.db2.gz ICUWQFDKSINSHC-JTQLQIEISA-N 1 2 242.319 -0.310 20 0 BBADLO CC(C)(C)OC(=O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000232584935 386449300 /nfs/dbraw/zinc/44/93/00/386449300.db2.gz SWLAJUJXBLUUAE-HTQZYQBOSA-N 1 2 217.265 -0.635 20 0 BBADLO CC(C)(C)OC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000232584985 386449846 /nfs/dbraw/zinc/44/98/46/386449846.db2.gz SWLAJUJXBLUUAE-YUMQZZPRSA-N 1 2 217.265 -0.635 20 0 BBADLO CC(C)Cc1noc(C[NH+]2C[C@@H](O)[C@H](O)C2)n1 ZINC000232652652 386567234 /nfs/dbraw/zinc/56/72/34/386567234.db2.gz ZDNQHQKSVKCEQB-RKDXNWHRSA-N 1 2 241.291 -0.195 20 0 BBADLO CC(C)Cc1noc(C[NH+]2C[C@H](O)[C@@H](O)C2)n1 ZINC000232652739 386567814 /nfs/dbraw/zinc/56/78/14/386567814.db2.gz ZDNQHQKSVKCEQB-IUCAKERBSA-N 1 2 241.291 -0.195 20 0 BBADLO CC(C)[C@@H](C)NC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000232675503 353163438 /nfs/dbraw/zinc/16/34/38/353163438.db2.gz BAPTUAZPGAKWCE-UTLUCORTSA-N 1 2 230.308 -0.816 20 0 BBADLO CC(C)COC[C@@H](O)C[NH2+]Cc1ncn(C)n1 ZINC000232927668 342891917 /nfs/dbraw/zinc/89/19/17/342891917.db2.gz YAMLJKWIQJICJN-JTQLQIEISA-N 1 2 242.323 -0.062 20 0 BBADLO CC(C)COC[C@H](O)C[NH2+]Cc1ncn(C)n1 ZINC000232931747 342892094 /nfs/dbraw/zinc/89/20/94/342892094.db2.gz YAMLJKWIQJICJN-SNVBAGLBSA-N 1 2 242.323 -0.062 20 0 BBADLO CCCCc1noc(C[NH+]2C[C@@H](O)[C@H](O)C2)n1 ZINC000233030524 353788669 /nfs/dbraw/zinc/78/86/69/353788669.db2.gz JRHDDNNHGBXCLT-RKDXNWHRSA-N 1 2 241.291 -0.050 20 0 BBADLO CCCCc1noc(C[NH+]2C[C@H](O)[C@@H](O)C2)n1 ZINC000233030603 353788624 /nfs/dbraw/zinc/78/86/24/353788624.db2.gz JRHDDNNHGBXCLT-IUCAKERBSA-N 1 2 241.291 -0.050 20 0 BBADLO CCCNc1cc(N2C[C@@H](O)[C@@H](O)C2)[nH+]cn1 ZINC000233208080 642653161 /nfs/dbraw/zinc/65/31/61/642653161.db2.gz KGJXPLZJLPSUMX-DTORHVGOSA-N 1 2 238.291 -0.160 20 0 BBADLO CCCNc1cc(N2C[C@@H](O)[C@@H](O)C2)nc[nH+]1 ZINC000233208080 642653154 /nfs/dbraw/zinc/65/31/54/642653154.db2.gz KGJXPLZJLPSUMX-DTORHVGOSA-N 1 2 238.291 -0.160 20 0 BBADLO CCCc1noc(C[NH+]2C[C@@H](O)[C@H](O)C2)n1 ZINC000233395744 384342075 /nfs/dbraw/zinc/34/20/75/384342075.db2.gz JKVXGUNPPWYESD-HTQZYQBOSA-N 1 2 227.264 -0.441 20 0 BBADLO CCCc1noc(C[NH+]2C[C@H](O)[C@@H](O)C2)n1 ZINC000233395867 384341824 /nfs/dbraw/zinc/34/18/24/384341824.db2.gz JKVXGUNPPWYESD-YUMQZZPRSA-N 1 2 227.264 -0.441 20 0 BBADLO CCOC(=O)C[N@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000233658106 363405160 /nfs/dbraw/zinc/40/51/60/363405160.db2.gz VDLYOLIIRDRIJT-DTORHVGOSA-N 1 2 217.265 -0.105 20 0 BBADLO CCOC(=O)C[N@@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000233658106 363405157 /nfs/dbraw/zinc/40/51/57/363405157.db2.gz VDLYOLIIRDRIJT-DTORHVGOSA-N 1 2 217.265 -0.105 20 0 BBADLO CCOC(=O)C[NH+]1C[C@@H](OC)[C@H](OC)C1 ZINC000233658118 363405194 /nfs/dbraw/zinc/40/51/94/363405194.db2.gz VDLYOLIIRDRIJT-RKDXNWHRSA-N 1 2 217.265 -0.105 20 0 BBADLO CCOC(=O)C[NH+]1C[C@H](OC)[C@@H](OC)C1 ZINC000233658325 363405051 /nfs/dbraw/zinc/40/50/51/363405051.db2.gz VDLYOLIIRDRIJT-IUCAKERBSA-N 1 2 217.265 -0.105 20 0 BBADLO CCOC(=O)[C@H](CC)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000233694143 363406304 /nfs/dbraw/zinc/40/63/04/363406304.db2.gz CGHKNBVJFXHZND-CIUDSAMLSA-N 1 2 217.265 -0.635 20 0 BBADLO CCOC(=O)[C@@H](CC)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000233697901 342878052 /nfs/dbraw/zinc/87/80/52/342878052.db2.gz CGHKNBVJFXHZND-VGMNWLOBSA-N 1 2 217.265 -0.635 20 0 BBADLO CCOc1n[nH]c(NC(=O)C[NH+](C)C)n1 ZINC000233810408 642701575 /nfs/dbraw/zinc/70/15/75/642701575.db2.gz GDQWJSHEUQOADZ-UHFFFAOYSA-N 1 2 213.241 -0.297 20 0 BBADLO CCc1cc(N2C[C@@H](O)[C@H](O)C2)nc(C)[nH+]1 ZINC000234157182 384331938 /nfs/dbraw/zinc/33/19/38/384331938.db2.gz UFULSNQDSYKHIR-NXEZZACHSA-N 1 2 223.276 -0.111 20 0 BBADLO CCc1cc(N2C[C@H](O)[C@@H](O)C2)nc(C)[nH+]1 ZINC000234157411 384332106 /nfs/dbraw/zinc/33/21/06/384332106.db2.gz UFULSNQDSYKHIR-UWVGGRQHSA-N 1 2 223.276 -0.111 20 0 BBADLO CCc1cc(N2C[C@@H](O)[C@@H](O)C2)nc(C)[nH+]1 ZINC000234157487 384333148 /nfs/dbraw/zinc/33/31/48/384333148.db2.gz UFULSNQDSYKHIR-AOOOYVTPSA-N 1 2 223.276 -0.111 20 0 BBADLO CCc1noc(C[NH+]2C[C@H](O)[C@@H](O)C2)n1 ZINC000234200066 343647915 /nfs/dbraw/zinc/64/79/15/343647915.db2.gz DKOBMCUPSVCCAM-BQBZGAKWSA-N 1 2 213.237 -0.831 20 0 BBADLO CN(CC(N)=O)c1nc[nH+]c(N)c1Cl ZINC000234263844 384032505 /nfs/dbraw/zinc/03/25/05/384032505.db2.gz XPTMJZKLLOZHII-UHFFFAOYSA-N 1 2 215.644 -0.366 20 0 BBADLO CNC(=O)CC[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000234329493 363419928 /nfs/dbraw/zinc/41/99/28/363419928.db2.gz MKBBRYGVMPQWOG-SECBINFHSA-N 1 2 214.265 -0.336 20 0 BBADLO CN1CCN(c2nc[nH+]c(N)c2Cl)CC1=O ZINC000234336568 386051787 /nfs/dbraw/zinc/05/17/87/386051787.db2.gz YWYSUDXMHWBEAW-UHFFFAOYSA-N 1 2 241.682 -0.009 20 0 BBADLO C[N@H+]1CCO[C@@H](CNC(=O)C(F)F)C1 ZINC000234346857 357789405 /nfs/dbraw/zinc/78/94/05/357789405.db2.gz YWWBVEOUIWJFRL-LURJTMIESA-N 1 2 208.208 -0.302 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNC(=O)C(F)F)C1 ZINC000234346857 357789401 /nfs/dbraw/zinc/78/94/01/357789401.db2.gz YWWBVEOUIWJFRL-LURJTMIESA-N 1 2 208.208 -0.302 20 0 BBADLO CNC(=O)C[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000234347828 134575950 /nfs/dbraw/zinc/57/59/50/134575950.db2.gz JGMSUIFNZLTMAG-UHFFFAOYSA-N 1 2 225.296 -0.131 20 0 BBADLO C[N@H+]1CCO[C@H](CNC(=O)C(F)F)C1 ZINC000234351181 357791744 /nfs/dbraw/zinc/79/17/44/357791744.db2.gz YWWBVEOUIWJFRL-ZCFIWIBFSA-N 1 2 208.208 -0.302 20 0 BBADLO C[N@@H+]1CCO[C@H](CNC(=O)C(F)F)C1 ZINC000234351181 357791738 /nfs/dbraw/zinc/79/17/38/357791738.db2.gz YWWBVEOUIWJFRL-ZCFIWIBFSA-N 1 2 208.208 -0.302 20 0 BBADLO CNC(=O)CCN(C)c1[nH+]cnc(N)c1OC ZINC000234384710 342921554 /nfs/dbraw/zinc/92/15/54/342921554.db2.gz IZZIKGFXXFTHHS-UHFFFAOYSA-N 1 2 239.279 -0.360 20 0 BBADLO CNC(=O)CCN(C)c1nc[nH+]c(N)c1OC ZINC000234384710 342921551 /nfs/dbraw/zinc/92/15/51/342921551.db2.gz IZZIKGFXXFTHHS-UHFFFAOYSA-N 1 2 239.279 -0.360 20 0 BBADLO CNC(=O)CC[NH2+][C@H](C(=O)OC)C1CC1 ZINC000234409799 363420930 /nfs/dbraw/zinc/42/09/30/363420930.db2.gz MKBBRYGVMPQWOG-VIFPVBQESA-N 1 2 214.265 -0.336 20 0 BBADLO CNc1cc(N2C[C@@H](O)[C@@H](O)C2)[nH+]cn1 ZINC000234485239 631543214 /nfs/dbraw/zinc/54/32/14/631543214.db2.gz MMCTVHPINCOEGO-KNVOCYPGSA-N 1 2 210.237 -0.940 20 0 BBADLO CNc1cc(N2C[C@@H](O)[C@@H](O)C2)nc[nH+]1 ZINC000234485239 631543209 /nfs/dbraw/zinc/54/32/09/631543209.db2.gz MMCTVHPINCOEGO-KNVOCYPGSA-N 1 2 210.237 -0.940 20 0 BBADLO COC(=O)[C@@H]([NH2+]CCCS(C)(=O)=O)C1CC1 ZINC000234548275 363423791 /nfs/dbraw/zinc/42/37/91/363423791.db2.gz KQPMBUYXJIYUCG-VIFPVBQESA-N 1 2 249.332 -0.038 20 0 BBADLO COC(=O)c1ccoc1C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000234549744 386077208 /nfs/dbraw/zinc/07/72/08/386077208.db2.gz KYBILZPSMPHNHN-RKDXNWHRSA-N 1 2 241.243 -0.396 20 0 BBADLO COC(=O)c1ccoc1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000234549832 386077633 /nfs/dbraw/zinc/07/76/33/386077633.db2.gz KYBILZPSMPHNHN-IUCAKERBSA-N 1 2 241.243 -0.396 20 0 BBADLO COC(=O)[C@@H]([NH2+]CCOCCO)C1CC1 ZINC000234551421 363423343 /nfs/dbraw/zinc/42/33/43/363423343.db2.gz RDFGGDOKXVJLBK-VIFPVBQESA-N 1 2 217.265 -0.464 20 0 BBADLO COC(=O)[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)C1CC1 ZINC000234554259 344068360 /nfs/dbraw/zinc/06/83/60/344068360.db2.gz CLNULLNPZUVXOF-WPRPVWTQSA-N 1 2 226.276 -0.194 20 0 BBADLO COC(=O)[C@H]([NH2+]CCCS(C)(=O)=O)C1CC1 ZINC000234561143 363424283 /nfs/dbraw/zinc/42/42/83/363424283.db2.gz KQPMBUYXJIYUCG-SECBINFHSA-N 1 2 249.332 -0.038 20 0 BBADLO COC(=O)[C@H]([NH2+]CCOCCO)C1CC1 ZINC000234563691 363424875 /nfs/dbraw/zinc/42/48/75/363424875.db2.gz RDFGGDOKXVJLBK-SECBINFHSA-N 1 2 217.265 -0.464 20 0 BBADLO COC(=O)[C@H]([NH2+]C[C@@H]1CCC(=O)N1)C1CC1 ZINC000234565950 344145460 /nfs/dbraw/zinc/14/54/60/344145460.db2.gz CLNULLNPZUVXOF-WCBMZHEXSA-N 1 2 226.276 -0.194 20 0 BBADLO COC(=O)c1ccc(C[NH+]2C[C@@H](O)[C@H](O)C2)o1 ZINC000234571797 173875861 /nfs/dbraw/zinc/87/58/61/173875861.db2.gz YTGCACQJTWDUMK-RKDXNWHRSA-N 1 2 241.243 -0.396 20 0 BBADLO COC(=O)c1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)o1 ZINC000234572344 386079620 /nfs/dbraw/zinc/07/96/20/386079620.db2.gz YTGCACQJTWDUMK-IUCAKERBSA-N 1 2 241.243 -0.396 20 0 BBADLO CNc1cc(N2CC[C@@H](C(N)=O)C2)[nH+]cn1 ZINC000234582356 631641345 /nfs/dbraw/zinc/64/13/45/631641345.db2.gz ABUIBRAUTJHWLR-SSDOTTSWSA-N 1 2 221.264 -0.170 20 0 BBADLO CNc1cc(N2CC[C@@H](C(N)=O)C2)nc[nH+]1 ZINC000234582356 631641340 /nfs/dbraw/zinc/64/13/40/631641340.db2.gz ABUIBRAUTJHWLR-SSDOTTSWSA-N 1 2 221.264 -0.170 20 0 BBADLO CNc1cc(N2CC[C@H](C(N)=O)C2)[nH+]cn1 ZINC000234585327 631642541 /nfs/dbraw/zinc/64/25/41/631642541.db2.gz ABUIBRAUTJHWLR-ZETCQYMHSA-N 1 2 221.264 -0.170 20 0 BBADLO CNc1cc(N2CC[C@H](C(N)=O)C2)nc[nH+]1 ZINC000234585327 631642539 /nfs/dbraw/zinc/64/25/39/631642539.db2.gz ABUIBRAUTJHWLR-ZETCQYMHSA-N 1 2 221.264 -0.170 20 0 BBADLO COCC1(C(=O)NOC)CC[NH2+]CC1 ZINC000234611681 631646609 /nfs/dbraw/zinc/64/66/09/631646609.db2.gz DOZRHGIAKMNHNE-UHFFFAOYSA-N 1 2 202.254 -0.320 20 0 BBADLO COC(=O)c1occc1C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000234630470 387311974 /nfs/dbraw/zinc/31/19/74/387311974.db2.gz RXZQLGGCQZKJNW-RKDXNWHRSA-N 1 2 241.243 -0.396 20 0 BBADLO COC(=O)c1occc1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000234630561 387311621 /nfs/dbraw/zinc/31/16/21/387311621.db2.gz RXZQLGGCQZKJNW-IUCAKERBSA-N 1 2 241.243 -0.396 20 0 BBADLO COC[C@@H](O)C[NH2+][C@H](C(=O)OC)C1CC1 ZINC000234683392 363428080 /nfs/dbraw/zinc/42/80/80/363428080.db2.gz GMJAGUGMRIVWFR-IUCAKERBSA-N 1 2 217.265 -0.465 20 0 BBADLO COC[C@@H](O)C[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000234685019 363428130 /nfs/dbraw/zinc/42/81/30/363428130.db2.gz GMJAGUGMRIVWFR-DTWKUNHWSA-N 1 2 217.265 -0.465 20 0 BBADLO COC[C@H](C)OC[C@@H](O)C[N@@H+](C)CC(=O)OC ZINC000234695516 357822189 /nfs/dbraw/zinc/82/21/89/357822189.db2.gz ONVINVQBFINQDL-UWVGGRQHSA-N 1 2 249.307 -0.496 20 0 BBADLO COC[C@H](C)OC[C@@H](O)C[N@H+](C)CC(=O)OC ZINC000234695516 357822186 /nfs/dbraw/zinc/82/21/86/357822186.db2.gz ONVINVQBFINQDL-UWVGGRQHSA-N 1 2 249.307 -0.496 20 0 BBADLO COC[C@H]([NH2+]Cc1nnn(C)n1)C(C)C ZINC000234707579 363428192 /nfs/dbraw/zinc/42/81/92/363428192.db2.gz NIYWNAWVYADQFS-QMMMGPOBSA-N 1 2 213.285 -0.029 20 0 BBADLO COC[C@@H]([NH2+]Cc1nnn(C)n1)C(C)C ZINC000234724146 363429422 /nfs/dbraw/zinc/42/94/22/363429422.db2.gz NIYWNAWVYADQFS-MRVPVSSYSA-N 1 2 213.285 -0.029 20 0 BBADLO COC[C@H](O)C[NH2+][C@H](C(=O)OC)C1CC1 ZINC000234729695 363429330 /nfs/dbraw/zinc/42/93/30/363429330.db2.gz GMJAGUGMRIVWFR-BDAKNGLRSA-N 1 2 217.265 -0.465 20 0 BBADLO COC[C@H](O)C[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000234731317 363429446 /nfs/dbraw/zinc/42/94/46/363429446.db2.gz GMJAGUGMRIVWFR-RKDXNWHRSA-N 1 2 217.265 -0.465 20 0 BBADLO COC[C@@H](C)OC[C@@H](O)C[N@@H+](C)CC(=O)OC ZINC000234743373 357834285 /nfs/dbraw/zinc/83/42/85/357834285.db2.gz ONVINVQBFINQDL-ZJUUUORDSA-N 1 2 249.307 -0.496 20 0 BBADLO COC[C@@H](C)OC[C@@H](O)C[N@H+](C)CC(=O)OC ZINC000234743373 357834284 /nfs/dbraw/zinc/83/42/84/357834284.db2.gz ONVINVQBFINQDL-ZJUUUORDSA-N 1 2 249.307 -0.496 20 0 BBADLO COC(=O)C[N@@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000234782289 363430159 /nfs/dbraw/zinc/43/01/59/363430159.db2.gz BJUZDFYDIMYWEC-OCAPTIKFSA-N 1 2 203.238 -0.495 20 0 BBADLO COC(=O)C[N@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000234782289 363430153 /nfs/dbraw/zinc/43/01/53/363430153.db2.gz BJUZDFYDIMYWEC-OCAPTIKFSA-N 1 2 203.238 -0.495 20 0 BBADLO COC(=O)C[NH+]1C[C@@H](OC)[C@H](OC)C1 ZINC000234782330 363429958 /nfs/dbraw/zinc/42/99/58/363429958.db2.gz BJUZDFYDIMYWEC-HTQZYQBOSA-N 1 2 203.238 -0.495 20 0 BBADLO COc1c(N)nc[nH+]c1N1CC[C@@H](C(N)=O)C1 ZINC000234784661 342942405 /nfs/dbraw/zinc/94/24/05/342942405.db2.gz DRPGMCJCFOZKNL-ZCFIWIBFSA-N 1 2 237.263 -0.621 20 0 BBADLO COc1c(N)[nH+]cnc1N1CC[C@@H](C(N)=O)C1 ZINC000234784661 342942404 /nfs/dbraw/zinc/94/24/04/342942404.db2.gz DRPGMCJCFOZKNL-ZCFIWIBFSA-N 1 2 237.263 -0.621 20 0 BBADLO COc1c(N)nc[nH+]c1N1CC[C@H](C(N)=O)C1 ZINC000234784863 342942551 /nfs/dbraw/zinc/94/25/51/342942551.db2.gz DRPGMCJCFOZKNL-LURJTMIESA-N 1 2 237.263 -0.621 20 0 BBADLO COc1c(N)[nH+]cnc1N1CC[C@H](C(N)=O)C1 ZINC000234784863 342942548 /nfs/dbraw/zinc/94/25/48/342942548.db2.gz DRPGMCJCFOZKNL-LURJTMIESA-N 1 2 237.263 -0.621 20 0 BBADLO COc1c(N)nc[nH+]c1NCc1ncn(C)n1 ZINC000234788898 342942959 /nfs/dbraw/zinc/94/29/59/342942959.db2.gz GMYZIYJIYXOFAB-UHFFFAOYSA-N 1 2 235.251 -0.192 20 0 BBADLO COc1c(N)[nH+]cnc1NCc1ncn(C)n1 ZINC000234788898 342942958 /nfs/dbraw/zinc/94/29/58/342942958.db2.gz GMYZIYJIYXOFAB-UHFFFAOYSA-N 1 2 235.251 -0.192 20 0 BBADLO CO[C@@]1(C[NH2+]Cc2nnn(C)n2)CCOC1 ZINC000234792265 487878762 /nfs/dbraw/zinc/87/87/62/487878762.db2.gz QVUASSTZKJRLDA-SECBINFHSA-N 1 2 227.268 -0.895 20 0 BBADLO COC[C@H](C)OC[C@H](O)C[N@@H+](C)CC(=O)OC ZINC000234804541 357830849 /nfs/dbraw/zinc/83/08/49/357830849.db2.gz ONVINVQBFINQDL-VHSXEESVSA-N 1 2 249.307 -0.496 20 0 BBADLO COC[C@H](C)OC[C@H](O)C[N@H+](C)CC(=O)OC ZINC000234804541 357830845 /nfs/dbraw/zinc/83/08/45/357830845.db2.gz ONVINVQBFINQDL-VHSXEESVSA-N 1 2 249.307 -0.496 20 0 BBADLO COC[C@@H](C)OC[C@H](O)C[N@@H+](C)CC(=O)OC ZINC000234821587 357832412 /nfs/dbraw/zinc/83/24/12/357832412.db2.gz ONVINVQBFINQDL-NXEZZACHSA-N 1 2 249.307 -0.496 20 0 BBADLO COC[C@@H](C)OC[C@H](O)C[N@H+](C)CC(=O)OC ZINC000234821587 357832406 /nfs/dbraw/zinc/83/24/06/357832406.db2.gz ONVINVQBFINQDL-NXEZZACHSA-N 1 2 249.307 -0.496 20 0 BBADLO CO[C@]1(C[NH2+]Cc2nnn(C)n2)CCOC1 ZINC000234832532 488131577 /nfs/dbraw/zinc/13/15/77/488131577.db2.gz QVUASSTZKJRLDA-VIFPVBQESA-N 1 2 227.268 -0.895 20 0 BBADLO COC[C@H](CO)Nc1[nH+]cnc2c1cnn2C ZINC000234857221 134586152 /nfs/dbraw/zinc/58/61/52/134586152.db2.gz ZZMDWUATRRAJKU-ZETCQYMHSA-N 1 2 237.263 -0.218 20 0 BBADLO COC(=O)C[NH+]1C[C@H](OC)[C@@H](OC)C1 ZINC000234867986 363434697 /nfs/dbraw/zinc/43/46/97/363434697.db2.gz BJUZDFYDIMYWEC-YUMQZZPRSA-N 1 2 203.238 -0.495 20 0 BBADLO COC[C@@H](CO)Nc1[nH+]cnc2c1cnn2C ZINC000234911849 357836319 /nfs/dbraw/zinc/83/63/19/357836319.db2.gz ZZMDWUATRRAJKU-SSDOTTSWSA-N 1 2 237.263 -0.218 20 0 BBADLO COc1ccc[nH+]c1N1C[C@H](O)[C@@H](O)C1 ZINC000234947151 324150453 /nfs/dbraw/zinc/15/04/53/324150453.db2.gz BABSCZNEIDJIFE-YUMQZZPRSA-N 1 2 210.233 -0.368 20 0 BBADLO COc1ccc[nH+]c1N1C[C@@H](O)[C@@H](O)C1 ZINC000234947179 324150401 /nfs/dbraw/zinc/15/04/01/324150401.db2.gz BABSCZNEIDJIFE-OCAPTIKFSA-N 1 2 210.233 -0.368 20 0 BBADLO C[C@@H](Cn1cccn1)[NH2+]Cc1nnn(C)n1 ZINC000235130565 386139852 /nfs/dbraw/zinc/13/98/52/386139852.db2.gz WEEUTGPAIIEJHZ-QMMMGPOBSA-N 1 2 221.268 -0.415 20 0 BBADLO C[C@H](C(=O)OC(C)(C)C)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000235199346 384247863 /nfs/dbraw/zinc/24/78/63/384247863.db2.gz OAEJZAYMEBSZBL-VGMNWLOBSA-N 1 2 231.292 -0.246 20 0 BBADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000235201168 384258820 /nfs/dbraw/zinc/25/88/20/384258820.db2.gz OAEJZAYMEBSZBL-HLTSFMKQSA-N 1 2 231.292 -0.246 20 0 BBADLO C[C@H](C(=O)OC(C)(C)C)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000235201168 384258812 /nfs/dbraw/zinc/25/88/12/384258812.db2.gz OAEJZAYMEBSZBL-HLTSFMKQSA-N 1 2 231.292 -0.246 20 0 BBADLO C[C@@H]([NH2+]Cc1cn(C(C)(C)C)nn1)C(N)=O ZINC000235226247 537933785 /nfs/dbraw/zinc/93/37/85/537933785.db2.gz BIMAVFDOHKZBIV-SSDOTTSWSA-N 1 2 225.296 -0.004 20 0 BBADLO C[C@@](O)(CO)CNc1[nH+]cnc(N)c1Cl ZINC000235378224 363442752 /nfs/dbraw/zinc/44/27/52/363442752.db2.gz DFMBUNOSTMTJBW-QMMMGPOBSA-N 1 2 232.671 -0.133 20 0 BBADLO C[C@@](O)(CO)CNc1nc[nH+]c(N)c1Cl ZINC000235378224 363442750 /nfs/dbraw/zinc/44/27/50/363442750.db2.gz DFMBUNOSTMTJBW-QMMMGPOBSA-N 1 2 232.671 -0.133 20 0 BBADLO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1nnn(C)n1 ZINC000235451043 384407726 /nfs/dbraw/zinc/40/77/26/384407726.db2.gz NHTDCWUZFFMSDU-IONNQARKSA-N 1 2 211.269 -0.133 20 0 BBADLO C[C@H](Cn1cccn1)[NH2+]Cc1nnn(C)n1 ZINC000235483991 386166963 /nfs/dbraw/zinc/16/69/63/386166963.db2.gz WEEUTGPAIIEJHZ-MRVPVSSYSA-N 1 2 221.268 -0.415 20 0 BBADLO C[C@@H](C(=O)OC(C)(C)C)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000235514120 344929105 /nfs/dbraw/zinc/92/91/05/344929105.db2.gz OAEJZAYMEBSZBL-CIUDSAMLSA-N 1 2 231.292 -0.246 20 0 BBADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000235514665 384427862 /nfs/dbraw/zinc/42/78/62/384427862.db2.gz OAEJZAYMEBSZBL-XHNCKOQMSA-N 1 2 231.292 -0.246 20 0 BBADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000235514665 384427857 /nfs/dbraw/zinc/42/78/57/384427857.db2.gz OAEJZAYMEBSZBL-XHNCKOQMSA-N 1 2 231.292 -0.246 20 0 BBADLO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1nnn(C)n1 ZINC000235612733 384475056 /nfs/dbraw/zinc/47/50/56/384475056.db2.gz NHTDCWUZFFMSDU-VXNVDRBHSA-N 1 2 211.269 -0.133 20 0 BBADLO C[C@H]1OCC[C@]1(C)[NH2+]Cc1nnn(C)n1 ZINC000235655719 384508236 /nfs/dbraw/zinc/50/82/36/384508236.db2.gz NHTDCWUZFFMSDU-APPZFPTMSA-N 1 2 211.269 -0.133 20 0 BBADLO C[C@](O)(CO)CNc1[nH+]cnc(N)c1Cl ZINC000235722218 388374520 /nfs/dbraw/zinc/37/45/20/388374520.db2.gz DFMBUNOSTMTJBW-MRVPVSSYSA-N 1 2 232.671 -0.133 20 0 BBADLO C[C@](O)(CO)CNc1nc[nH+]c(N)c1Cl ZINC000235722218 388374518 /nfs/dbraw/zinc/37/45/18/388374518.db2.gz DFMBUNOSTMTJBW-MRVPVSSYSA-N 1 2 232.671 -0.133 20 0 BBADLO Cc1cc(C(=O)C[NH+]2C[C@@H](O)[C@H](O)C2)c(C)[nH]1 ZINC000235841370 384628058 /nfs/dbraw/zinc/62/80/58/384628058.db2.gz WEMWXNPGDARUAN-VXGBXAGGSA-N 1 2 238.287 -0.148 20 0 BBADLO Cc1cc(C(=O)C[NH+]2C[C@H](O)[C@@H](O)C2)c(C)[nH]1 ZINC000235841492 384628885 /nfs/dbraw/zinc/62/88/85/384628885.db2.gz WEMWXNPGDARUAN-RYUDHWBXSA-N 1 2 238.287 -0.148 20 0 BBADLO Cc1cc(C(=O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c(C)[nH]1 ZINC000235841591 384627620 /nfs/dbraw/zinc/62/76/20/384627620.db2.gz WEMWXNPGDARUAN-TXEJJXNPSA-N 1 2 238.287 -0.148 20 0 BBADLO Cc1cc(C(=O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)c(C)[nH]1 ZINC000235841591 384627614 /nfs/dbraw/zinc/62/76/14/384627614.db2.gz WEMWXNPGDARUAN-TXEJJXNPSA-N 1 2 238.287 -0.148 20 0 BBADLO Cc1nc(C[NH+]2C[C@@H](O)[C@H](O)C2)cs1 ZINC000235943859 384073613 /nfs/dbraw/zinc/07/36/13/384073613.db2.gz LPXQNTGYLGCJCB-RKDXNWHRSA-N 1 2 214.290 -0.011 20 0 BBADLO Cc1nc(C[NH+]2C[C@@H](O)[C@H](O)C2)oc1C ZINC000235943886 384989050 /nfs/dbraw/zinc/98/90/50/384989050.db2.gz MGGVMELFQIDHRS-RKDXNWHRSA-N 1 2 212.249 -0.171 20 0 BBADLO Cc1nc(C[NH+]2C[C@H](O)[C@@H](O)C2)cs1 ZINC000235944022 384073543 /nfs/dbraw/zinc/07/35/43/384073543.db2.gz LPXQNTGYLGCJCB-IUCAKERBSA-N 1 2 214.290 -0.011 20 0 BBADLO Cc1nc(C[NH+]2C[C@H](O)[C@@H](O)C2)oc1C ZINC000235944048 384989277 /nfs/dbraw/zinc/98/92/77/384989277.db2.gz MGGVMELFQIDHRS-IUCAKERBSA-N 1 2 212.249 -0.171 20 0 BBADLO Cc1csc(C[NH+]2C[C@@H](O)[C@H](O)C2)n1 ZINC000235978744 385006371 /nfs/dbraw/zinc/00/63/71/385006371.db2.gz LSYHDTSGOIGTQH-HTQZYQBOSA-N 1 2 214.290 -0.011 20 0 BBADLO Cc1csc(C[NH+]2C[C@H](O)[C@@H](O)C2)n1 ZINC000235978786 385005785 /nfs/dbraw/zinc/00/57/85/385005785.db2.gz LSYHDTSGOIGTQH-YUMQZZPRSA-N 1 2 214.290 -0.011 20 0 BBADLO Cn1cccc1C(=O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000236082348 388377123 /nfs/dbraw/zinc/37/71/23/388377123.db2.gz VUKMWIOHFJDSOY-GHMZBOCLSA-N 1 2 224.260 -0.755 20 0 BBADLO Cn1cccc1C(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000236082379 180720033 /nfs/dbraw/zinc/72/00/33/180720033.db2.gz VUKMWIOHFJDSOY-QWRGUYRKSA-N 1 2 224.260 -0.755 20 0 BBADLO Cn1cccc1C(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000236082390 384053672 /nfs/dbraw/zinc/05/36/72/384053672.db2.gz VUKMWIOHFJDSOY-PHIMTYICSA-N 1 2 224.260 -0.755 20 0 BBADLO Cn1cccc1C(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000236082390 384053669 /nfs/dbraw/zinc/05/36/69/384053669.db2.gz VUKMWIOHFJDSOY-PHIMTYICSA-N 1 2 224.260 -0.755 20 0 BBADLO Cn1nnc(C[NH2+]C2(CO)CCCCC2)n1 ZINC000236095175 537909407 /nfs/dbraw/zinc/90/94/07/537909407.db2.gz ZNEMJILXUPPMJV-UHFFFAOYSA-N 1 2 225.296 -0.005 20 0 BBADLO Cn1nnc(C[NH2+]CC2(O)CCCC2)n1 ZINC000236095828 388377288 /nfs/dbraw/zinc/37/72/88/388377288.db2.gz CEJZNHJZDIDQHC-UHFFFAOYSA-N 1 2 211.269 -0.395 20 0 BBADLO Cn1nnc(C[NH2+][C@@H]2CCCC[C@H]2O)n1 ZINC000236099115 488041051 /nfs/dbraw/zinc/04/10/51/488041051.db2.gz NTXKSEFURVDILT-HTQZYQBOSA-N 1 2 211.269 -0.397 20 0 BBADLO Cn1nnc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)n1 ZINC000236099351 259676340 /nfs/dbraw/zinc/67/63/40/259676340.db2.gz RXDRQCUDLNINQV-RNFRBKRXSA-N 1 2 211.269 -0.541 20 0 BBADLO Cn1nnc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)n1 ZINC000236099378 388377805 /nfs/dbraw/zinc/37/78/05/388377805.db2.gz RXDRQCUDLNINQV-RQJHMYQMSA-N 1 2 211.269 -0.541 20 0 BBADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)n1 ZINC000236099810 388377871 /nfs/dbraw/zinc/37/78/71/388377871.db2.gz RXDRQCUDLNINQV-NKWVEPMBSA-N 1 2 211.269 -0.541 20 0 BBADLO Cn1nnc(C[NH2+][C@H]2C[C@H](O)C2(C)C)n1 ZINC000236099821 388376992 /nfs/dbraw/zinc/37/69/92/388376992.db2.gz RXDRQCUDLNINQV-BQBZGAKWSA-N 1 2 211.269 -0.541 20 0 BBADLO Cn1nnc(C[N@H+]2CCCCC[C@@H]2CO)n1 ZINC000236127082 488042621 /nfs/dbraw/zinc/04/26/21/488042621.db2.gz AABQVUIUGXWRDS-SECBINFHSA-N 1 2 225.296 -0.053 20 0 BBADLO Cn1nnc(C[N@@H+]2CCCCC[C@@H]2CO)n1 ZINC000236127082 488042617 /nfs/dbraw/zinc/04/26/17/488042617.db2.gz AABQVUIUGXWRDS-SECBINFHSA-N 1 2 225.296 -0.053 20 0 BBADLO Cn1nnc(C[N@H+]2CCCCC[C@H]2CO)n1 ZINC000236127169 488042830 /nfs/dbraw/zinc/04/28/30/488042830.db2.gz AABQVUIUGXWRDS-VIFPVBQESA-N 1 2 225.296 -0.053 20 0 BBADLO Cn1nnc(C[N@@H+]2CCCCC[C@H]2CO)n1 ZINC000236127169 488042827 /nfs/dbraw/zinc/04/28/27/488042827.db2.gz AABQVUIUGXWRDS-VIFPVBQESA-N 1 2 225.296 -0.053 20 0 BBADLO Cn1nnc(C[N@H+]2CCC[C@@H](CCO)C2)n1 ZINC000236128462 541396311 /nfs/dbraw/zinc/39/63/11/541396311.db2.gz UZANCCFLTXWHPD-VIFPVBQESA-N 1 2 225.296 -0.196 20 0 BBADLO Cn1nnc(C[N@@H+]2CCC[C@@H](CCO)C2)n1 ZINC000236128462 541396308 /nfs/dbraw/zinc/39/63/08/541396308.db2.gz UZANCCFLTXWHPD-VIFPVBQESA-N 1 2 225.296 -0.196 20 0 BBADLO Cn1nnc(C[N@H+]2CCC[C@@H]2CCCO)n1 ZINC000236128804 384188489 /nfs/dbraw/zinc/18/84/89/384188489.db2.gz VHIJBWXJIOMORK-SECBINFHSA-N 1 2 225.296 -0.053 20 0 BBADLO Cn1nnc(C[N@@H+]2CCC[C@@H]2CCCO)n1 ZINC000236128804 384188487 /nfs/dbraw/zinc/18/84/87/384188487.db2.gz VHIJBWXJIOMORK-SECBINFHSA-N 1 2 225.296 -0.053 20 0 BBADLO Cn1nnc(C[N@H+]2CCC[C@H](CCO)C2)n1 ZINC000236129165 537909348 /nfs/dbraw/zinc/90/93/48/537909348.db2.gz UZANCCFLTXWHPD-SECBINFHSA-N 1 2 225.296 -0.196 20 0 BBADLO Cn1nnc(C[N@@H+]2CCC[C@H](CCO)C2)n1 ZINC000236129165 537909338 /nfs/dbraw/zinc/90/93/38/537909338.db2.gz UZANCCFLTXWHPD-SECBINFHSA-N 1 2 225.296 -0.196 20 0 BBADLO Cn1nnc(C[N@H+]2CCC[C@H]2CCCO)n1 ZINC000236129406 384186897 /nfs/dbraw/zinc/18/68/97/384186897.db2.gz VHIJBWXJIOMORK-VIFPVBQESA-N 1 2 225.296 -0.053 20 0 BBADLO Cn1nnc(C[N@@H+]2CCC[C@H]2CCCO)n1 ZINC000236129406 384186890 /nfs/dbraw/zinc/18/68/90/384186890.db2.gz VHIJBWXJIOMORK-VIFPVBQESA-N 1 2 225.296 -0.053 20 0 BBADLO Cn1nnc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)n1 ZINC000236147390 385034509 /nfs/dbraw/zinc/03/45/09/385034509.db2.gz YGBGWXDDDRQDAM-DJLDLDEBSA-N 1 2 223.280 -0.587 20 0 BBADLO Cn1nnc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)n1 ZINC000236147390 385034504 /nfs/dbraw/zinc/03/45/04/385034504.db2.gz YGBGWXDDDRQDAM-DJLDLDEBSA-N 1 2 223.280 -0.587 20 0 BBADLO Cn1nnc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)n1 ZINC000236149131 180860475 /nfs/dbraw/zinc/86/04/75/180860475.db2.gz UYRSHNRDUXARBL-PSASIEDQSA-N 1 2 223.280 -0.133 20 0 BBADLO Cn1nnc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)n1 ZINC000236149145 384194450 /nfs/dbraw/zinc/19/44/50/384194450.db2.gz UYRSHNRDUXARBL-SCZZXKLOSA-N 1 2 223.280 -0.133 20 0 BBADLO Cn1nnc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)n1 ZINC000236149611 384194605 /nfs/dbraw/zinc/19/46/05/384194605.db2.gz UYRSHNRDUXARBL-WCBMZHEXSA-N 1 2 223.280 -0.133 20 0 BBADLO Cn1nnc(C[NH2+][C@H]2CCO[C@H]2C2CC2)n1 ZINC000236149628 384194795 /nfs/dbraw/zinc/19/47/95/384194795.db2.gz UYRSHNRDUXARBL-WPRPVWTQSA-N 1 2 223.280 -0.133 20 0 BBADLO Nc1nc[nH+]c(NC(CO)CO)c1Cl ZINC000236360768 384403224 /nfs/dbraw/zinc/40/32/24/384403224.db2.gz OOJJASJUPVAJTO-UHFFFAOYSA-N 1 2 218.644 -0.523 20 0 BBADLO Nc1[nH+]cnc(NC(CO)CO)c1Cl ZINC000236360768 384403214 /nfs/dbraw/zinc/40/32/14/384403214.db2.gz OOJJASJUPVAJTO-UHFFFAOYSA-N 1 2 218.644 -0.523 20 0 BBADLO Nc1nc[nH+]c(NC[C@@H](O)CO)c1Cl ZINC000236361305 385117846 /nfs/dbraw/zinc/11/78/46/385117846.db2.gz NRGYIJMPBBXMHZ-SCSAIBSYSA-N 1 2 218.644 -0.523 20 0 BBADLO Nc1[nH+]cnc(NC[C@@H](O)CO)c1Cl ZINC000236361305 385117841 /nfs/dbraw/zinc/11/78/41/385117841.db2.gz NRGYIJMPBBXMHZ-SCSAIBSYSA-N 1 2 218.644 -0.523 20 0 BBADLO Nc1nc[nH+]c(NC[C@H](O)CO)c1Cl ZINC000236361343 384402434 /nfs/dbraw/zinc/40/24/34/384402434.db2.gz NRGYIJMPBBXMHZ-BYPYZUCNSA-N 1 2 218.644 -0.523 20 0 BBADLO Nc1[nH+]cnc(NC[C@H](O)CO)c1Cl ZINC000236361343 384402433 /nfs/dbraw/zinc/40/24/33/384402433.db2.gz NRGYIJMPBBXMHZ-BYPYZUCNSA-N 1 2 218.644 -0.523 20 0 BBADLO Nc1nc[nH+]c(N2CCO[C@@H](CO)C2)c1Cl ZINC000236389834 385117344 /nfs/dbraw/zinc/11/73/44/385117344.db2.gz CGJLOZFTMULLGL-ZCFIWIBFSA-N 1 2 244.682 -0.090 20 0 BBADLO Nc1[nH+]cnc(N2CCO[C@@H](CO)C2)c1Cl ZINC000236389834 385117340 /nfs/dbraw/zinc/11/73/40/385117340.db2.gz CGJLOZFTMULLGL-ZCFIWIBFSA-N 1 2 244.682 -0.090 20 0 BBADLO Nc1nc[nH+]c(N2CCO[C@H](CO)C2)c1Cl ZINC000236389872 386262050 /nfs/dbraw/zinc/26/20/50/386262050.db2.gz CGJLOZFTMULLGL-LURJTMIESA-N 1 2 244.682 -0.090 20 0 BBADLO Nc1[nH+]cnc(N2CCO[C@H](CO)C2)c1Cl ZINC000236389872 386262048 /nfs/dbraw/zinc/26/20/48/386262048.db2.gz CGJLOZFTMULLGL-LURJTMIESA-N 1 2 244.682 -0.090 20 0 BBADLO Nc1[nH+]cnc(N2C[C@@H](O)[C@H](O)C2)c1Cl ZINC000236390057 385116809 /nfs/dbraw/zinc/11/68/09/385116809.db2.gz QISQJLHPPJDZSE-RFZPGFLSSA-N 1 2 230.655 -0.746 20 0 BBADLO Nc1[nH+]cnc(N2C[C@H](O)[C@@H](O)C2)c1Cl ZINC000236390082 385117613 /nfs/dbraw/zinc/11/76/13/385117613.db2.gz QISQJLHPPJDZSE-WHFBIAKZSA-N 1 2 230.655 -0.746 20 0 BBADLO Nc1[nH+]cnc(N2C[C@@H](O)[C@@H](O)C2)c1Cl ZINC000236390099 385117486 /nfs/dbraw/zinc/11/74/86/385117486.db2.gz QISQJLHPPJDZSE-SYDPRGILSA-N 1 2 230.655 -0.746 20 0 BBADLO O=C1C[C@@H]([NH2+]Cc2ccncn2)C(=O)N1C1CC1 ZINC000236410784 343097624 /nfs/dbraw/zinc/09/76/24/343097624.db2.gz XJUFFTWEBJRCFD-SNVBAGLBSA-N 1 2 246.270 -0.144 20 0 BBADLO O=C1C[C@H]([NH2+]Cc2ccncn2)C(=O)N1C1CC1 ZINC000236413575 343097528 /nfs/dbraw/zinc/09/75/28/343097528.db2.gz XJUFFTWEBJRCFD-JTQLQIEISA-N 1 2 246.270 -0.144 20 0 BBADLO OCc1cc[nH+]c(N2C[C@H](O)[C@@H](O)C2)c1 ZINC000236505061 488067199 /nfs/dbraw/zinc/06/71/99/488067199.db2.gz WCBBVJHQAFXZCE-IUCAKERBSA-N 1 2 210.233 -0.884 20 0 BBADLO OCc1cc[nH+]c(N2C[C@@H](O)[C@@H](O)C2)c1 ZINC000236505072 488067166 /nfs/dbraw/zinc/06/71/66/488067166.db2.gz WCBBVJHQAFXZCE-DTORHVGOSA-N 1 2 210.233 -0.884 20 0 BBADLO O[C@@H]1C[NH+](Cc2cn3ccccc3n2)C[C@H]1O ZINC000236524205 183207223 /nfs/dbraw/zinc/20/72/23/183207223.db2.gz YUDOZVLDDYCTDN-GHMZBOCLSA-N 1 2 233.271 -0.128 20 0 BBADLO O[C@@H]1C[NH+](Cc2cn3cccnc3n2)C[C@H]1O ZINC000236524215 183205889 /nfs/dbraw/zinc/20/58/89/183205889.db2.gz RTIUDIBWWILNCC-NXEZZACHSA-N 1 2 234.259 -0.733 20 0 BBADLO O[C@@H]1C[NH+](Cc2cn3ccsc3n2)C[C@H]1O ZINC000236524223 387895911 /nfs/dbraw/zinc/89/59/11/387895911.db2.gz NOSSXKUDIBLFBL-RKDXNWHRSA-N 1 2 239.300 -0.067 20 0 BBADLO O=C(C[NH+]1C[C@@H](O)[C@H](O)C1)NC1CCCC1 ZINC000236525274 385147531 /nfs/dbraw/zinc/14/75/31/385147531.db2.gz WLJLPEFFACDJLZ-NXEZZACHSA-N 1 2 228.292 -0.917 20 0 BBADLO O=C(C[NH+]1C[C@@H](O)[C@H](O)C1)NC1CCCCC1 ZINC000236525288 385148856 /nfs/dbraw/zinc/14/88/56/385148856.db2.gz KONZYPYUEBNKFC-GHMZBOCLSA-N 1 2 242.319 -0.527 20 0 BBADLO O=C(C[NH+]1C[C@@H](O)[C@H](O)C1)Nc1ccccc1 ZINC000236525979 386279797 /nfs/dbraw/zinc/27/97/97/386279797.db2.gz UAKCPDIUVAFWMR-GHMZBOCLSA-N 1 2 236.271 -0.338 20 0 BBADLO O[C@@H]1C[NH+](Cc2cscn2)C[C@H]1O ZINC000236530609 183206261 /nfs/dbraw/zinc/20/62/61/183206261.db2.gz TZUUHNHTHAILBP-HTQZYQBOSA-N 1 2 200.263 -0.320 20 0 BBADLO O[C@@H]1C[NH+](Cc2nccs2)C[C@H]1O ZINC000236530653 259346506 /nfs/dbraw/zinc/34/65/06/259346506.db2.gz JOMIPZATOCGVMX-RNFRBKRXSA-N 1 2 200.263 -0.320 20 0 BBADLO O=C(C[NH+]1C[C@H](O)[C@@H](O)C1)NC1CCCC1 ZINC000236579768 259677100 /nfs/dbraw/zinc/67/71/00/259677100.db2.gz WLJLPEFFACDJLZ-UWVGGRQHSA-N 1 2 228.292 -0.917 20 0 BBADLO O=C(C[NH+]1C[C@H](O)[C@@H](O)C1)NC1CCCCC1 ZINC000236579803 385166462 /nfs/dbraw/zinc/16/64/62/385166462.db2.gz KONZYPYUEBNKFC-QWRGUYRKSA-N 1 2 242.319 -0.527 20 0 BBADLO O=C(C[NH+]1C[C@H](O)[C@@H](O)C1)Nc1ccccc1 ZINC000236581515 386287570 /nfs/dbraw/zinc/28/75/70/386287570.db2.gz UAKCPDIUVAFWMR-QWRGUYRKSA-N 1 2 236.271 -0.338 20 0 BBADLO O[C@H]1C[NH+](Cc2cn3ccccc3n2)C[C@@H]1O ZINC000236591018 183244194 /nfs/dbraw/zinc/24/41/94/183244194.db2.gz YUDOZVLDDYCTDN-QWRGUYRKSA-N 1 2 233.271 -0.128 20 0 BBADLO O[C@H]1C[NH+](Cc2cn3cccnc3n2)C[C@@H]1O ZINC000236591042 183244178 /nfs/dbraw/zinc/24/41/78/183244178.db2.gz RTIUDIBWWILNCC-UWVGGRQHSA-N 1 2 234.259 -0.733 20 0 BBADLO O[C@H]1C[NH+](Cc2cn3ccsc3n2)C[C@@H]1O ZINC000236591064 387897880 /nfs/dbraw/zinc/89/78/80/387897880.db2.gz NOSSXKUDIBLFBL-IUCAKERBSA-N 1 2 239.300 -0.067 20 0 BBADLO O[C@H]1C[NH+](Cc2ccc(Cl)nn2)C[C@@H]1O ZINC000236592958 346255768 /nfs/dbraw/zinc/25/57/68/346255768.db2.gz JGTNQRUYGVCDCR-YUMQZZPRSA-N 1 2 229.667 -0.333 20 0 BBADLO O[C@@H]1C[N@H+](Cc2ccc(Cl)nn2)C[C@@H]1O ZINC000236592982 344398820 /nfs/dbraw/zinc/39/88/20/344398820.db2.gz JGTNQRUYGVCDCR-OCAPTIKFSA-N 1 2 229.667 -0.333 20 0 BBADLO O[C@@H]1C[N@@H+](Cc2ccc(Cl)nn2)C[C@@H]1O ZINC000236592982 344398818 /nfs/dbraw/zinc/39/88/18/344398818.db2.gz JGTNQRUYGVCDCR-OCAPTIKFSA-N 1 2 229.667 -0.333 20 0 BBADLO O[C@H]1C[NH+](Cc2cnc(Cl)cn2)C[C@@H]1O ZINC000236595120 346254972 /nfs/dbraw/zinc/25/49/72/346254972.db2.gz DXEDQCLXVLSHLY-YUMQZZPRSA-N 1 2 229.667 -0.333 20 0 BBADLO O[C@H]1C[NH+](Cc2cscn2)C[C@@H]1O ZINC000236595353 183244147 /nfs/dbraw/zinc/24/41/47/183244147.db2.gz TZUUHNHTHAILBP-YUMQZZPRSA-N 1 2 200.263 -0.320 20 0 BBADLO O[C@H]1C[NH+](Cc2nccs2)C[C@@H]1O ZINC000236595502 259677063 /nfs/dbraw/zinc/67/70/63/259677063.db2.gz JOMIPZATOCGVMX-BQBZGAKWSA-N 1 2 200.263 -0.320 20 0 BBADLO CCC(CC)CNC(=O)CN1CC[NH2+]CC1=O ZINC000236634907 259677366 /nfs/dbraw/zinc/67/73/66/259677366.db2.gz ILDVMARBQSXSHU-UHFFFAOYSA-N 1 2 241.335 -0.029 20 0 BBADLO CCC1(CNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000236636797 388381458 /nfs/dbraw/zinc/38/14/58/388381458.db2.gz ZPJAZFWCYUOTFD-UHFFFAOYSA-N 1 2 239.319 -0.275 20 0 BBADLO CCC1(NC(=O)CN2CC[NH2+]CC2=O)CCC1 ZINC000236639626 386296347 /nfs/dbraw/zinc/29/63/47/386296347.db2.gz GGIWJMOUIXRUOJ-UHFFFAOYSA-N 1 2 239.319 -0.133 20 0 BBADLO CC(C)CN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000236650624 386298655 /nfs/dbraw/zinc/29/86/55/386298655.db2.gz MOGIIFDSMRUXLA-UHFFFAOYSA-N 1 2 227.308 -0.467 20 0 BBADLO CC1(CNC(=O)CN2CC[NH2+]CC2=O)CCC1 ZINC000236651503 388381264 /nfs/dbraw/zinc/38/12/64/388381264.db2.gz LSDLLGZNPZCEQD-UHFFFAOYSA-N 1 2 239.319 -0.275 20 0 BBADLO CC1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000236694517 343105956 /nfs/dbraw/zinc/10/59/56/343105956.db2.gz GITXCZLMTVIGMX-UHFFFAOYSA-N 1 2 239.319 -0.323 20 0 BBADLO CC(C)CCCNC(=O)CN1CC[NH2+]CC1=O ZINC000236696168 388382488 /nfs/dbraw/zinc/38/24/88/388382488.db2.gz ITGKWOBQVBVRRB-UHFFFAOYSA-N 1 2 241.335 -0.029 20 0 BBADLO CCCCN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000236705522 259677683 /nfs/dbraw/zinc/67/76/83/259677683.db2.gz KLGLKRSYZJKVJH-UHFFFAOYSA-N 1 2 227.308 -0.323 20 0 BBADLO CCCCCNC(=O)CN1CC[NH2+]CC1=O ZINC000236748767 388382922 /nfs/dbraw/zinc/38/29/22/388382922.db2.gz IGQYUZPEGNPNFJ-UHFFFAOYSA-N 1 2 227.308 -0.275 20 0 BBADLO CCCN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000236761157 169052107 /nfs/dbraw/zinc/05/21/07/169052107.db2.gz HAPNTTXXVALLRX-UHFFFAOYSA-N 1 2 213.281 -0.713 20 0 BBADLO CC1(C)CCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000236907471 388385735 /nfs/dbraw/zinc/38/57/35/388385735.db2.gz BEGCINLFHQJLEK-UHFFFAOYSA-N 1 2 239.319 -0.181 20 0 BBADLO CC[C@@H](NC(=O)[C@@H](C)C[NH2+]C)C(=O)OC ZINC000236921248 388386518 /nfs/dbraw/zinc/38/65/18/388386518.db2.gz ICWXNLLLLRVTLB-JGVFFNPUSA-N 1 2 216.281 -0.090 20 0 BBADLO CCC[C@@H]1C[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000236931592 388386714 /nfs/dbraw/zinc/38/67/14/388386714.db2.gz MUIQIROGTHZFON-ZJUUUORDSA-N 1 2 239.319 -0.277 20 0 BBADLO CCOCCO[C@@H](C)C(=O)NCCC[NH3+] ZINC000236934151 388386462 /nfs/dbraw/zinc/38/64/62/388386462.db2.gz BELLRXDSXJLHBC-VIFPVBQESA-N 1 2 218.297 -0.107 20 0 BBADLO CCC[C@@H]1C[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000236934456 388386906 /nfs/dbraw/zinc/38/69/06/388386906.db2.gz MUIQIROGTHZFON-NXEZZACHSA-N 1 2 239.319 -0.277 20 0 BBADLO CCOCCO[C@H](C)C(=O)N1CC[C@H]([NH3+])C1 ZINC000236936272 388386995 /nfs/dbraw/zinc/38/69/95/388386995.db2.gz ISEDAHKVEOSHHN-ZJUUUORDSA-N 1 2 230.308 -0.012 20 0 BBADLO CCOCCO[C@H](C)C(=O)NCCC[NH3+] ZINC000236936596 388387003 /nfs/dbraw/zinc/38/70/03/388387003.db2.gz BELLRXDSXJLHBC-SECBINFHSA-N 1 2 218.297 -0.107 20 0 BBADLO CC[C@H]([NH3+])C(=O)N[C@@](C)(COC)CC(=O)OC ZINC000236936837 388386438 /nfs/dbraw/zinc/38/64/38/388386438.db2.gz KXKOHFVSLMTSBO-GZMMTYOYSA-N 1 2 246.307 -0.192 20 0 BBADLO CC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000236938816 388386847 /nfs/dbraw/zinc/38/68/47/388386847.db2.gz UIDWJIDDZKTWRG-MXWKQRLJSA-N 1 2 243.351 -0.051 20 0 BBADLO CC[C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000236938979 388386631 /nfs/dbraw/zinc/38/66/31/388386631.db2.gz UIDWJIDDZKTWRG-VWYCJHECSA-N 1 2 243.351 -0.051 20 0 BBADLO CC[C@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000236948568 388386552 /nfs/dbraw/zinc/38/65/52/388386552.db2.gz ZRWRGCAVCVFVSZ-APPZFPTMSA-N 1 2 225.292 -0.397 20 0 BBADLO CC[C@H]([NH3+])C(=O)N[C@](C)(COC)C(=O)OC ZINC000236949213 388386700 /nfs/dbraw/zinc/38/67/00/388386700.db2.gz DHCIMILDFXUKQT-OIBJUYFYSA-N 1 2 232.280 -0.582 20 0 BBADLO CC[C@H]([NH3+])C(=O)N[C@](C)(COC)CC(=O)OC ZINC000236949247 388386900 /nfs/dbraw/zinc/38/69/00/388386900.db2.gz KXKOHFVSLMTSBO-KWQFWETISA-N 1 2 246.307 -0.192 20 0 BBADLO CCN(CC1CC1)C(=O)CN1CC[NH2+]CC1=O ZINC000237007654 388388312 /nfs/dbraw/zinc/38/83/12/388388312.db2.gz UCDQRYSUOCNXEX-UHFFFAOYSA-N 1 2 239.319 -0.323 20 0 BBADLO CC[C@@H](C)CN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000237008599 343121299 /nfs/dbraw/zinc/12/12/99/343121299.db2.gz NNPGQFZNDMUSQW-SNVBAGLBSA-N 1 2 241.335 -0.077 20 0 BBADLO CCC[C@H]1C[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000237044428 388388905 /nfs/dbraw/zinc/38/89/05/388388905.db2.gz MUIQIROGTHZFON-UWVGGRQHSA-N 1 2 239.319 -0.277 20 0 BBADLO CCC[C@H]1C[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000237046390 388388293 /nfs/dbraw/zinc/38/82/93/388388293.db2.gz MUIQIROGTHZFON-VHSXEESVSA-N 1 2 239.319 -0.277 20 0 BBADLO CC[C@H](C)CN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000237111711 384932872 /nfs/dbraw/zinc/93/28/72/384932872.db2.gz NNPGQFZNDMUSQW-JTQLQIEISA-N 1 2 241.335 -0.077 20 0 BBADLO CN(CC(C)(C)C)C(=O)CN1CC[NH2+]CC1=O ZINC000237125130 388389651 /nfs/dbraw/zinc/38/96/51/388389651.db2.gz UMBBANWIGPHYEX-UHFFFAOYSA-N 1 2 241.335 -0.077 20 0 BBADLO CN(CC1CC1)C(=O)CN1CC[NH2+]CC1=O ZINC000237184593 388390816 /nfs/dbraw/zinc/39/08/16/388390816.db2.gz SLHHOESSDHDGEU-UHFFFAOYSA-N 1 2 225.292 -0.713 20 0 BBADLO CN(CC1CCC1)C(=O)CN1CC[NH2+]CC1=O ZINC000237185142 388390710 /nfs/dbraw/zinc/39/07/10/388390710.db2.gz RLBBQBIUZZNTGO-UHFFFAOYSA-N 1 2 239.319 -0.323 20 0 BBADLO CSC[C@@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000237359242 388393649 /nfs/dbraw/zinc/39/36/49/388393649.db2.gz QQBPQVFOHXMGIG-MRVPVSSYSA-N 1 2 245.348 -0.714 20 0 BBADLO CSC[C@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000237368520 388393504 /nfs/dbraw/zinc/39/35/04/388393504.db2.gz QQBPQVFOHXMGIG-QMMMGPOBSA-N 1 2 245.348 -0.714 20 0 BBADLO C[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000237370424 343135957 /nfs/dbraw/zinc/13/59/57/343135957.db2.gz QWQOBAVAVNPPMB-SECBINFHSA-N 1 2 225.292 -0.713 20 0 BBADLO C[C@@H]1CC[C@@H](C)N1C(=O)CN1CC[NH2+]CC1=O ZINC000237430545 323107804 /nfs/dbraw/zinc/10/78/04/323107804.db2.gz JWYWUIHHBLUNGD-NXEZZACHSA-N 1 2 239.319 -0.182 20 0 BBADLO CSCCCNC(=O)CN1CC[NH2+]CC1=O ZINC000237501569 388396078 /nfs/dbraw/zinc/39/60/78/388396078.db2.gz AWAAHQJPXNOCBJ-UHFFFAOYSA-N 1 2 245.348 -0.713 20 0 BBADLO C[C@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000237547716 343147615 /nfs/dbraw/zinc/14/76/15/343147615.db2.gz QWQOBAVAVNPPMB-VIFPVBQESA-N 1 2 225.292 -0.713 20 0 BBADLO C[C@@H]1CC[C@H](C)N1C(=O)CN1CC[NH2+]CC1=O ZINC000237605813 259684393 /nfs/dbraw/zinc/68/43/93/259684393.db2.gz JWYWUIHHBLUNGD-AOOOYVTPSA-N 1 2 239.319 -0.182 20 0 BBADLO C[C@H]1CC[C@H](C)N1C(=O)CN1CC[NH2+]CC1=O ZINC000237608608 388396671 /nfs/dbraw/zinc/39/66/71/388396671.db2.gz JWYWUIHHBLUNGD-UWVGGRQHSA-N 1 2 239.319 -0.182 20 0 BBADLO Cc1cccc(NC(=O)CN2CC[NH2+]CC2=O)n1 ZINC000237685485 388398083 /nfs/dbraw/zinc/39/80/83/388398083.db2.gz VLBAZCIUQDFHED-UHFFFAOYSA-N 1 2 248.286 -0.240 20 0 BBADLO Cc1ccnc(NC(=O)CN2CC[NH2+]CC2=O)c1 ZINC000237778901 388398530 /nfs/dbraw/zinc/39/85/30/388398530.db2.gz ADPIVPDLQGXFEH-UHFFFAOYSA-N 1 2 248.286 -0.240 20 0 BBADLO Cc1cnccc1NC(=O)CN1CC[NH2+]CC1=O ZINC000237800499 388399562 /nfs/dbraw/zinc/39/95/62/388399562.db2.gz HJVGXHADUYMKNA-UHFFFAOYSA-N 1 2 248.286 -0.240 20 0 BBADLO O=C(Nc1ccnc2ccnn21)[C@@H]1COCC[NH2+]1 ZINC000237944241 182384666 /nfs/dbraw/zinc/38/46/66/182384666.db2.gz OZTXBHWHTRRMSI-QMMMGPOBSA-N 1 2 247.258 -0.344 20 0 BBADLO O=C(Nc1ccnc2ccnn21)[C@H]1COCC[NH2+]1 ZINC000237944420 182385295 /nfs/dbraw/zinc/38/52/95/182385295.db2.gz OZTXBHWHTRRMSI-MRVPVSSYSA-N 1 2 247.258 -0.344 20 0 BBADLO O=C(Nc1nn[nH]n1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237948383 386425335 /nfs/dbraw/zinc/42/53/35/386425335.db2.gz BJTROACYWIBDNH-VIFPVBQESA-N 1 2 244.258 -0.147 20 0 BBADLO O=C(Nc1nn[nH]n1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000237948441 386423814 /nfs/dbraw/zinc/42/38/14/386423814.db2.gz BJTROACYWIBDNH-SECBINFHSA-N 1 2 244.258 -0.147 20 0 BBADLO O=C(Nc1ccc2[nH]nnc2c1)[C@@H]1COCC[NH2+]1 ZINC000238032459 182362051 /nfs/dbraw/zinc/36/20/51/182362051.db2.gz YPFRZGXBNFOBSM-JTQLQIEISA-N 1 2 247.258 -0.115 20 0 BBADLO O=C(Nc1ccc2n[nH]nc2c1)[C@@H]1COCC[NH2+]1 ZINC000238032459 182362048 /nfs/dbraw/zinc/36/20/48/182362048.db2.gz YPFRZGXBNFOBSM-JTQLQIEISA-N 1 2 247.258 -0.115 20 0 BBADLO O=C(Nc1ccc2[nH]nnc2c1)[C@H]1COCC[NH2+]1 ZINC000238032722 182362948 /nfs/dbraw/zinc/36/29/48/182362948.db2.gz YPFRZGXBNFOBSM-SNVBAGLBSA-N 1 2 247.258 -0.115 20 0 BBADLO O=C(Nc1ccc2n[nH]nc2c1)[C@H]1COCC[NH2+]1 ZINC000238032722 182362945 /nfs/dbraw/zinc/36/29/45/182362945.db2.gz YPFRZGXBNFOBSM-SNVBAGLBSA-N 1 2 247.258 -0.115 20 0 BBADLO O=C(CN1CC[NH2+]CC1=O)NCC1CCC1 ZINC000238104673 388399983 /nfs/dbraw/zinc/39/99/83/388399983.db2.gz IYXGJFMXNJNRHJ-UHFFFAOYSA-N 1 2 225.292 -0.666 20 0 BBADLO O=C(CN1CC[NH2+]CC1=O)NCCC1CC1 ZINC000238105239 487562839 /nfs/dbraw/zinc/56/28/39/487562839.db2.gz BVMHZRGQPKMTPX-UHFFFAOYSA-N 1 2 225.292 -0.666 20 0 BBADLO O=C(CN1CC[NH2+]CC1=O)NCc1ccccn1 ZINC000238109647 262748860 /nfs/dbraw/zinc/74/88/60/262748860.db2.gz BUMALRBSMKXVGE-UHFFFAOYSA-N 1 2 248.286 -0.870 20 0 BBADLO O=C(CN1CC[NH2+]CC1=O)NCc1cccnc1 ZINC000238109690 388399926 /nfs/dbraw/zinc/39/99/26/388399926.db2.gz CQSCIVVUPACCRA-UHFFFAOYSA-N 1 2 248.286 -0.870 20 0 BBADLO O=C(CN1CC[NH2+]CC1=O)NCc1ccco1 ZINC000238109737 388400202 /nfs/dbraw/zinc/40/02/02/388400202.db2.gz WVDVDRHOIFTWLH-UHFFFAOYSA-N 1 2 237.259 -0.672 20 0 BBADLO O=C(CN1CC[NH2+]CC1=O)NCc1ccncc1 ZINC000238109826 388399937 /nfs/dbraw/zinc/39/99/37/388399937.db2.gz USJXAOSAOFNRSK-UHFFFAOYSA-N 1 2 248.286 -0.870 20 0 BBADLO O=C(CN1CC[NH2+]CC1=O)Nc1ccncc1 ZINC000238117489 388400459 /nfs/dbraw/zinc/40/04/59/388400459.db2.gz ZBLQOWQFJARMEN-UHFFFAOYSA-N 1 2 234.259 -0.548 20 0 BBADLO Nc1ccc(NC(=O)CN2CC[NH2+]CC2=O)cn1 ZINC000238139805 388400472 /nfs/dbraw/zinc/40/04/72/388400472.db2.gz VGECGBNQEJZXSZ-UHFFFAOYSA-N 1 2 249.274 -0.966 20 0 BBADLO CCS(=O)(=O)N1CC[NH+](CCOC)CC1 ZINC000240830604 387937310 /nfs/dbraw/zinc/93/73/10/387937310.db2.gz BEWDEWUHGJIDGU-UHFFFAOYSA-N 1 2 236.337 -0.400 20 0 BBADLO C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCO2)C1 ZINC000243465450 173107447 /nfs/dbraw/zinc/10/74/47/173107447.db2.gz NJOUSDSNCFSJBY-NXEZZACHSA-N 1 2 228.292 -0.388 20 0 BBADLO C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCO2)C1 ZINC000243465450 173107445 /nfs/dbraw/zinc/10/74/45/173107445.db2.gz NJOUSDSNCFSJBY-NXEZZACHSA-N 1 2 228.292 -0.388 20 0 BBADLO C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCO2)C1 ZINC000243465451 173102153 /nfs/dbraw/zinc/10/21/53/173102153.db2.gz NJOUSDSNCFSJBY-VHSXEESVSA-N 1 2 228.292 -0.388 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCO2)C1 ZINC000243465451 173102150 /nfs/dbraw/zinc/10/21/50/173102150.db2.gz NJOUSDSNCFSJBY-VHSXEESVSA-N 1 2 228.292 -0.388 20 0 BBADLO O=C(NCCCO)NCC[NH+]1CCOCC1 ZINC000243726903 387941589 /nfs/dbraw/zinc/94/15/89/387941589.db2.gz PRFOCUCPMOFEIU-UHFFFAOYSA-N 1 2 231.296 -1.000 20 0 BBADLO CC[NH+]1CCN(S(=O)(=O)NC2CC2)CC1 ZINC000244224300 262928906 /nfs/dbraw/zinc/92/89/06/262928906.db2.gz WBRIMQPRIDUOCL-UHFFFAOYSA-N 1 2 233.337 -0.379 20 0 BBADLO CCS(=O)(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000244335438 387936502 /nfs/dbraw/zinc/93/65/02/387936502.db2.gz XQLBXAYDYAWRNK-MRVPVSSYSA-N 1 2 206.311 -0.028 20 0 BBADLO CCS(=O)(=O)N1CC[N@H+](C)C[C@H]1C ZINC000244335438 387936497 /nfs/dbraw/zinc/93/64/97/387936497.db2.gz XQLBXAYDYAWRNK-MRVPVSSYSA-N 1 2 206.311 -0.028 20 0 BBADLO CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H]1C(N)=O ZINC000245381667 384963929 /nfs/dbraw/zinc/96/39/29/384963929.db2.gz DQGWVEXJUMBCJY-BDAKNGLRSA-N 1 2 227.308 -0.149 20 0 BBADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000245381667 384963925 /nfs/dbraw/zinc/96/39/25/384963925.db2.gz DQGWVEXJUMBCJY-BDAKNGLRSA-N 1 2 227.308 -0.149 20 0 BBADLO CC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1C(N)=O ZINC000245381668 171325607 /nfs/dbraw/zinc/32/56/07/171325607.db2.gz DQGWVEXJUMBCJY-IUCAKERBSA-N 1 2 227.308 -0.149 20 0 BBADLO CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000245381668 171325606 /nfs/dbraw/zinc/32/56/06/171325606.db2.gz DQGWVEXJUMBCJY-IUCAKERBSA-N 1 2 227.308 -0.149 20 0 BBADLO C[N@@H+](CC(N)=O)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245416914 398115328 /nfs/dbraw/zinc/11/53/28/398115328.db2.gz FPGFXZKMPFTTAZ-DTWKUNHWSA-N 1 2 248.348 -0.241 20 0 BBADLO C[N@H+](CC(N)=O)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245416914 398115327 /nfs/dbraw/zinc/11/53/27/398115327.db2.gz FPGFXZKMPFTTAZ-DTWKUNHWSA-N 1 2 248.348 -0.241 20 0 BBADLO C[N@@H+](CC(N)=O)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245416915 398115221 /nfs/dbraw/zinc/11/52/21/398115221.db2.gz FPGFXZKMPFTTAZ-RKDXNWHRSA-N 1 2 248.348 -0.241 20 0 BBADLO C[N@H+](CC(N)=O)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245416915 398115215 /nfs/dbraw/zinc/11/52/15/398115215.db2.gz FPGFXZKMPFTTAZ-RKDXNWHRSA-N 1 2 248.348 -0.241 20 0 BBADLO COC(=O)[C@H]1C[N@@H+](C[C@H](C)O)CCO1 ZINC000245550185 373563617 /nfs/dbraw/zinc/56/36/17/373563617.db2.gz OMZRGJKWPMGOMV-JGVFFNPUSA-N 1 2 203.238 -0.759 20 0 BBADLO COC(=O)[C@H]1C[N@H+](C[C@H](C)O)CCO1 ZINC000245550185 373563611 /nfs/dbraw/zinc/56/36/11/373563611.db2.gz OMZRGJKWPMGOMV-JGVFFNPUSA-N 1 2 203.238 -0.759 20 0 BBADLO COC(=O)C[C@H]1C[N@@H+](C[C@H](C)O)CCO1 ZINC000245571521 388590538 /nfs/dbraw/zinc/59/05/38/388590538.db2.gz ZEUWSCCRYFCCTP-IUCAKERBSA-N 1 2 217.265 -0.369 20 0 BBADLO COC(=O)C[C@H]1C[N@H+](C[C@H](C)O)CCO1 ZINC000245571521 388590537 /nfs/dbraw/zinc/59/05/37/388590537.db2.gz ZEUWSCCRYFCCTP-IUCAKERBSA-N 1 2 217.265 -0.369 20 0 BBADLO O=C1NCC[C@H]1[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245677107 388427096 /nfs/dbraw/zinc/42/70/96/388427096.db2.gz IBLSHSSSWIKPKC-SVRRBLITSA-N 1 2 238.209 -0.126 20 0 BBADLO O=C1NCC[C@H]1[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245677107 388427095 /nfs/dbraw/zinc/42/70/95/388427095.db2.gz IBLSHSSSWIKPKC-SVRRBLITSA-N 1 2 238.209 -0.126 20 0 BBADLO O=C1NCC[C@@H]1[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245677123 388427615 /nfs/dbraw/zinc/42/76/15/388427615.db2.gz IBLSHSSSWIKPKC-XPUUQOCRSA-N 1 2 238.209 -0.126 20 0 BBADLO O=C1NCC[C@@H]1[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245677123 388427610 /nfs/dbraw/zinc/42/76/10/388427610.db2.gz IBLSHSSSWIKPKC-XPUUQOCRSA-N 1 2 238.209 -0.126 20 0 BBADLO O=C1NCC[C@@H]1[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000245703055 387974513 /nfs/dbraw/zinc/97/45/13/387974513.db2.gz WFMYXJOMBBRUIG-AXFHLTTASA-N 1 2 240.303 -0.245 20 0 BBADLO O=C1NCC[C@@H]1[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000245703055 387974509 /nfs/dbraw/zinc/97/45/09/387974509.db2.gz WFMYXJOMBBRUIG-AXFHLTTASA-N 1 2 240.303 -0.245 20 0 BBADLO O=C1NCC[C@@H]1[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000245703058 387975030 /nfs/dbraw/zinc/97/50/30/387975030.db2.gz WFMYXJOMBBRUIG-DCAQKATOSA-N 1 2 240.303 -0.245 20 0 BBADLO O=C1NCC[C@@H]1[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000245703058 387975028 /nfs/dbraw/zinc/97/50/28/387975028.db2.gz 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YHHLEVBRPNQTGQ-VHSXEESVSA-N 1 2 239.319 -0.135 20 0 BBADLO CCNC(=O)C[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000246803957 388652992 /nfs/dbraw/zinc/65/29/92/388652992.db2.gz YHHLEVBRPNQTGQ-VHSXEESVSA-N 1 2 239.319 -0.135 20 0 BBADLO COCC[N@H+]1C[C@H](OC)C[C@H]1C(=O)OC ZINC000246811621 359167364 /nfs/dbraw/zinc/16/73/64/359167364.db2.gz BOJDIOGEQHQXLE-BDAKNGLRSA-N 1 2 217.265 -0.105 20 0 BBADLO COCC[N@@H+]1C[C@H](OC)C[C@H]1C(=O)OC ZINC000246811621 359167363 /nfs/dbraw/zinc/16/73/63/359167363.db2.gz BOJDIOGEQHQXLE-BDAKNGLRSA-N 1 2 217.265 -0.105 20 0 BBADLO COCC[N@H+]1C[C@@H](OC)C[C@H]1C(=O)OC ZINC000246811640 359168051 /nfs/dbraw/zinc/16/80/51/359168051.db2.gz BOJDIOGEQHQXLE-IUCAKERBSA-N 1 2 217.265 -0.105 20 0 BBADLO COCC[N@@H+]1C[C@@H](OC)C[C@H]1C(=O)OC ZINC000246811640 359168045 /nfs/dbraw/zinc/16/80/45/359168045.db2.gz BOJDIOGEQHQXLE-IUCAKERBSA-N 1 2 217.265 -0.105 20 0 BBADLO CN(C)C(=O)C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000246811658 359167591 /nfs/dbraw/zinc/16/75/91/359167591.db2.gz DHIQWCCNTDJDNM-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO CN(C)C(=O)C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000246811658 359167588 /nfs/dbraw/zinc/16/75/88/359167588.db2.gz DHIQWCCNTDJDNM-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO CN(C)C(=O)C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246811691 359167231 /nfs/dbraw/zinc/16/72/31/359167231.db2.gz DHIQWCCNTDJDNM-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO CN(C)C(=O)C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246811691 359167228 /nfs/dbraw/zinc/16/72/28/359167228.db2.gz DHIQWCCNTDJDNM-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO CNC(=O)C[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000246831881 388652603 /nfs/dbraw/zinc/65/26/03/388652603.db2.gz ZLEJQYQILIUXCU-DTWKUNHWSA-N 1 2 225.292 -0.525 20 0 BBADLO CNC(=O)C[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000246831881 388652599 /nfs/dbraw/zinc/65/25/99/388652599.db2.gz ZLEJQYQILIUXCU-DTWKUNHWSA-N 1 2 225.292 -0.525 20 0 BBADLO CNC(=O)C[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000246831885 388652906 /nfs/dbraw/zinc/65/29/06/388652906.db2.gz ZLEJQYQILIUXCU-RKDXNWHRSA-N 1 2 225.292 -0.525 20 0 BBADLO CNC(=O)C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000246831885 388652903 /nfs/dbraw/zinc/65/29/03/388652903.db2.gz ZLEJQYQILIUXCU-RKDXNWHRSA-N 1 2 225.292 -0.525 20 0 BBADLO C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)CO1 ZINC000246904162 359173344 /nfs/dbraw/zinc/17/33/44/359173344.db2.gz HZOMPIDRCCPBNN-GMTAPVOTSA-N 1 2 242.319 -0.047 20 0 BBADLO C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)CO1 ZINC000246904162 359173341 /nfs/dbraw/zinc/17/33/41/359173341.db2.gz HZOMPIDRCCPBNN-GMTAPVOTSA-N 1 2 242.319 -0.047 20 0 BBADLO C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](C)CO1 ZINC000246904189 359173160 /nfs/dbraw/zinc/17/31/60/359173160.db2.gz HZOMPIDRCCPBNN-HBNTYKKESA-N 1 2 242.319 -0.047 20 0 BBADLO C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](C)CO1 ZINC000246904189 359173158 /nfs/dbraw/zinc/17/31/58/359173158.db2.gz HZOMPIDRCCPBNN-HBNTYKKESA-N 1 2 242.319 -0.047 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000247003720 385273906 /nfs/dbraw/zinc/27/39/06/385273906.db2.gz BRVJSRGUGWEBGP-QWRGUYRKSA-N 1 2 243.351 -0.097 20 0 BBADLO CC[C@@H](C(N)=O)[N@@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000247003720 385273898 /nfs/dbraw/zinc/27/38/98/385273898.db2.gz BRVJSRGUGWEBGP-QWRGUYRKSA-N 1 2 243.351 -0.097 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000247003730 171244725 /nfs/dbraw/zinc/24/47/25/171244725.db2.gz BRVJSRGUGWEBGP-WDEREUQCSA-N 1 2 243.351 -0.097 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000247003730 171244724 /nfs/dbraw/zinc/24/47/24/171244724.db2.gz BRVJSRGUGWEBGP-WDEREUQCSA-N 1 2 243.351 -0.097 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1CC[C@H]1CCOC1=O ZINC000247009473 644617748 /nfs/dbraw/zinc/61/77/48/644617748.db2.gz RWNZBCZWGFTVBL-BDAKNGLRSA-N 1 2 226.276 -0.240 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1CC[C@H]1CCOC1=O ZINC000247009473 644617744 /nfs/dbraw/zinc/61/77/44/644617744.db2.gz RWNZBCZWGFTVBL-BDAKNGLRSA-N 1 2 226.276 -0.240 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1CC[C@H]1CCOC1=O ZINC000247009482 644618338 /nfs/dbraw/zinc/61/83/38/644618338.db2.gz RWNZBCZWGFTVBL-IUCAKERBSA-N 1 2 226.276 -0.240 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1CC[C@H]1CCOC1=O ZINC000247009482 644618336 /nfs/dbraw/zinc/61/83/36/644618336.db2.gz RWNZBCZWGFTVBL-IUCAKERBSA-N 1 2 226.276 -0.240 20 0 BBADLO COC[C@H]1C[N@H+]([C@H](C)C(N)=O)CCO1 ZINC000247019695 384717076 /nfs/dbraw/zinc/71/70/76/384717076.db2.gz UMDPVLBNAIERFJ-HTQZYQBOSA-N 1 2 202.254 -0.793 20 0 BBADLO COC[C@H]1C[N@@H+]([C@H](C)C(N)=O)CCO1 ZINC000247019695 384717070 /nfs/dbraw/zinc/71/70/70/384717070.db2.gz UMDPVLBNAIERFJ-HTQZYQBOSA-N 1 2 202.254 -0.793 20 0 BBADLO COC[C@H]1C[N@H+]([C@@H](C)C(N)=O)CCO1 ZINC000247019717 384715487 /nfs/dbraw/zinc/71/54/87/384715487.db2.gz UMDPVLBNAIERFJ-JGVFFNPUSA-N 1 2 202.254 -0.793 20 0 BBADLO COC[C@H]1C[N@@H+]([C@@H](C)C(N)=O)CCO1 ZINC000247019717 384715474 /nfs/dbraw/zinc/71/54/74/384715474.db2.gz UMDPVLBNAIERFJ-JGVFFNPUSA-N 1 2 202.254 -0.793 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000247035417 386696283 /nfs/dbraw/zinc/69/62/83/386696283.db2.gz DKVCSMURIVGFKP-NXEZZACHSA-N 1 2 238.291 -0.542 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000247035417 386696280 /nfs/dbraw/zinc/69/62/80/386696280.db2.gz DKVCSMURIVGFKP-NXEZZACHSA-N 1 2 238.291 -0.542 20 0 BBADLO C[C@@H](C(N)=O)[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000247035438 386695005 /nfs/dbraw/zinc/69/50/05/386695005.db2.gz DKVCSMURIVGFKP-VHSXEESVSA-N 1 2 238.291 -0.542 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000247035438 386694997 /nfs/dbraw/zinc/69/49/97/386694997.db2.gz DKVCSMURIVGFKP-VHSXEESVSA-N 1 2 238.291 -0.542 20 0 BBADLO CC[C@H](C(=O)OC)[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000247239700 359203616 /nfs/dbraw/zinc/20/36/16/359203616.db2.gz SWWUYVVPKVOWFL-DTWKUNHWSA-N 1 2 241.291 -0.353 20 0 BBADLO CC[C@H](C(=O)OC)[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000247239700 359203613 /nfs/dbraw/zinc/20/36/13/359203613.db2.gz SWWUYVVPKVOWFL-DTWKUNHWSA-N 1 2 241.291 -0.353 20 0 BBADLO CC[C@@H](C(=O)OC)[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000247239716 359202894 /nfs/dbraw/zinc/20/28/94/359202894.db2.gz SWWUYVVPKVOWFL-IUCAKERBSA-N 1 2 241.291 -0.353 20 0 BBADLO CC[C@@H](C(=O)OC)[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000247239716 359202889 /nfs/dbraw/zinc/20/28/89/359202889.db2.gz SWWUYVVPKVOWFL-IUCAKERBSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000247248199 343394757 /nfs/dbraw/zinc/39/47/57/343394757.db2.gz UHMPLMJHSBYHDK-BDAKNGLRSA-N 1 2 240.307 -0.828 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000247248199 343394756 /nfs/dbraw/zinc/39/47/56/343394756.db2.gz UHMPLMJHSBYHDK-BDAKNGLRSA-N 1 2 240.307 -0.828 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000247248211 343394722 /nfs/dbraw/zinc/39/47/22/343394722.db2.gz UHMPLMJHSBYHDK-IUCAKERBSA-N 1 2 240.307 -0.828 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000247248211 343394718 /nfs/dbraw/zinc/39/47/18/343394718.db2.gz UHMPLMJHSBYHDK-IUCAKERBSA-N 1 2 240.307 -0.828 20 0 BBADLO CC[C@H]1C[N@@H+](CC(=O)NC(=O)NC)C[C@@H](C)O1 ZINC000247407642 384775829 /nfs/dbraw/zinc/77/58/29/384775829.db2.gz BYOYFFRIATXTKC-BDAKNGLRSA-N 1 2 243.307 -0.059 20 0 BBADLO CC[C@H]1C[N@H+](CC(=O)NC(=O)NC)C[C@@H](C)O1 ZINC000247407642 384775825 /nfs/dbraw/zinc/77/58/25/384775825.db2.gz BYOYFFRIATXTKC-BDAKNGLRSA-N 1 2 243.307 -0.059 20 0 BBADLO CC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC)C[C@@H](C)O1 ZINC000247407652 384777769 /nfs/dbraw/zinc/77/77/69/384777769.db2.gz BYOYFFRIATXTKC-RKDXNWHRSA-N 1 2 243.307 -0.059 20 0 BBADLO CC[C@@H]1C[N@H+](CC(=O)NC(=O)NC)C[C@@H](C)O1 ZINC000247407652 384777764 /nfs/dbraw/zinc/77/77/64/384777764.db2.gz BYOYFFRIATXTKC-RKDXNWHRSA-N 1 2 243.307 -0.059 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247520364 566404347 /nfs/dbraw/zinc/40/43/47/566404347.db2.gz ZBZYTWWUEKKDOQ-BBBLOLIVSA-N 1 2 228.292 -0.260 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247520364 566404339 /nfs/dbraw/zinc/40/43/39/566404339.db2.gz ZBZYTWWUEKKDOQ-BBBLOLIVSA-N 1 2 228.292 -0.260 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000247520377 566404259 /nfs/dbraw/zinc/40/42/59/566404259.db2.gz ZBZYTWWUEKKDOQ-KXUCPTDWSA-N 1 2 228.292 -0.260 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000247520377 566404254 /nfs/dbraw/zinc/40/42/54/566404254.db2.gz ZBZYTWWUEKKDOQ-KXUCPTDWSA-N 1 2 228.292 -0.260 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247520383 566404377 /nfs/dbraw/zinc/40/43/77/566404377.db2.gz ZBZYTWWUEKKDOQ-OPRDCNLKSA-N 1 2 228.292 -0.260 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247520383 566404372 /nfs/dbraw/zinc/40/43/72/566404372.db2.gz ZBZYTWWUEKKDOQ-OPRDCNLKSA-N 1 2 228.292 -0.260 20 0 BBADLO CC[C@H](O)C[N@H+]1CCNC(=O)[C@H]1CC(=O)OC ZINC000247534806 359231791 /nfs/dbraw/zinc/23/17/91/359231791.db2.gz 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/nfs/dbraw/zinc/24/95/85/359249585.db2.gz AUQOWMLZQJUREX-UHFFFAOYSA-N 1 2 227.308 -0.371 20 0 BBADLO CN(C)C(=O)C[N@H+](C)CC(=O)N1CCCC1 ZINC000247945418 359249580 /nfs/dbraw/zinc/24/95/80/359249580.db2.gz AUQOWMLZQJUREX-UHFFFAOYSA-N 1 2 227.308 -0.371 20 0 BBADLO CCNC(=O)NC(=O)C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000247976700 384555336 /nfs/dbraw/zinc/55/53/36/384555336.db2.gz HWYACTZKUGQPAT-BDAKNGLRSA-N 1 2 243.307 -0.059 20 0 BBADLO CCNC(=O)NC(=O)C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000247976700 384555328 /nfs/dbraw/zinc/55/53/28/384555328.db2.gz HWYACTZKUGQPAT-BDAKNGLRSA-N 1 2 243.307 -0.059 20 0 BBADLO CCNC(=O)NC(=O)C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000247976703 384555362 /nfs/dbraw/zinc/55/53/62/384555362.db2.gz HWYACTZKUGQPAT-RKDXNWHRSA-N 1 2 243.307 -0.059 20 0 BBADLO CCNC(=O)NC(=O)C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000247976703 384555357 /nfs/dbraw/zinc/55/53/57/384555357.db2.gz HWYACTZKUGQPAT-RKDXNWHRSA-N 1 2 243.307 -0.059 20 0 BBADLO CNC(=O)C[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000247980077 173268141 /nfs/dbraw/zinc/26/81/41/173268141.db2.gz XKOOKEXJPAJEHB-UHFFFAOYSA-N 1 2 249.314 -0.019 20 0 BBADLO CNC(=O)C[N@H+](C)CC(=O)NCc1ccccc1 ZINC000247980077 173268139 /nfs/dbraw/zinc/26/81/39/173268139.db2.gz XKOOKEXJPAJEHB-UHFFFAOYSA-N 1 2 249.314 -0.019 20 0 BBADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCS(C)(=O)=O ZINC000248021871 388672383 /nfs/dbraw/zinc/67/23/83/388672383.db2.gz RNUKVFYZAXONMG-VIFPVBQESA-N 1 2 248.348 -0.416 20 0 BBADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCS(C)(=O)=O ZINC000248021871 388672380 /nfs/dbraw/zinc/67/23/80/388672380.db2.gz RNUKVFYZAXONMG-VIFPVBQESA-N 1 2 248.348 -0.416 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@@H+](C)CC(=O)N(C)C ZINC000248039350 359252768 /nfs/dbraw/zinc/25/27/68/359252768.db2.gz VJGGHHKHYIUKOB-MRVPVSSYSA-N 1 2 215.297 -0.517 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@H+](C)CC(=O)N(C)C ZINC000248039350 359252762 /nfs/dbraw/zinc/25/27/62/359252762.db2.gz VJGGHHKHYIUKOB-MRVPVSSYSA-N 1 2 215.297 -0.517 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@@H+](C)CC(=O)N(C)C ZINC000248039353 359252649 /nfs/dbraw/zinc/25/26/49/359252649.db2.gz VJGGHHKHYIUKOB-QMMMGPOBSA-N 1 2 215.297 -0.517 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@H+](C)CC(=O)N(C)C ZINC000248039353 359252646 /nfs/dbraw/zinc/25/26/46/359252646.db2.gz VJGGHHKHYIUKOB-QMMMGPOBSA-N 1 2 215.297 -0.517 20 0 BBADLO CCCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)N(C)C ZINC000248051590 169241053 /nfs/dbraw/zinc/24/10/53/169241053.db2.gz XNVQIAHUVFVGOM-SECBINFHSA-N 1 2 229.324 -0.079 20 0 BBADLO CCCNC(=O)[C@@H](C)[N@H+](C)CC(=O)N(C)C ZINC000248051590 169241051 /nfs/dbraw/zinc/24/10/51/169241051.db2.gz XNVQIAHUVFVGOM-SECBINFHSA-N 1 2 229.324 -0.079 20 0 BBADLO CCCNC(=O)[C@H](C)[N@@H+](C)CC(=O)N(C)C ZINC000248051595 169244465 /nfs/dbraw/zinc/24/44/65/169244465.db2.gz XNVQIAHUVFVGOM-VIFPVBQESA-N 1 2 229.324 -0.079 20 0 BBADLO CCCNC(=O)[C@H](C)[N@H+](C)CC(=O)N(C)C ZINC000248051595 169244463 /nfs/dbraw/zinc/24/44/63/169244463.db2.gz XNVQIAHUVFVGOM-VIFPVBQESA-N 1 2 229.324 -0.079 20 0 BBADLO C[C@@H]1OCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC000248074119 359252938 /nfs/dbraw/zinc/25/29/38/359252938.db2.gz MTNXSQQFHANAFD-GARJFASQSA-N 1 2 242.319 -0.047 20 0 BBADLO C[C@@H]1OCCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC000248074119 359252932 /nfs/dbraw/zinc/25/29/32/359252932.db2.gz MTNXSQQFHANAFD-GARJFASQSA-N 1 2 242.319 -0.047 20 0 BBADLO C[C@@H]1[C@H](C)OCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000248074124 359253042 /nfs/dbraw/zinc/25/30/42/359253042.db2.gz MTNXSQQFHANAFD-OUAUKWLOSA-N 1 2 242.319 -0.047 20 0 BBADLO C[C@@H]1[C@H](C)OCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000248074124 359253037 /nfs/dbraw/zinc/25/30/37/359253037.db2.gz MTNXSQQFHANAFD-OUAUKWLOSA-N 1 2 242.319 -0.047 20 0 BBADLO CC(C)COC(=O)C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000248387657 135001945 /nfs/dbraw/zinc/00/19/45/135001945.db2.gz BOMVLGZIGRUREF-VHSXEESVSA-N 1 2 231.292 -0.387 20 0 BBADLO CC(C)COC(=O)C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000248387657 135001943 /nfs/dbraw/zinc/00/19/43/135001943.db2.gz BOMVLGZIGRUREF-VHSXEESVSA-N 1 2 231.292 -0.387 20 0 BBADLO CC(C)(C)OC(=O)C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000248392085 534747201 /nfs/dbraw/zinc/74/72/01/534747201.db2.gz KADQYSICTBXDSS-DTWKUNHWSA-N 1 2 231.292 -0.244 20 0 BBADLO CC(C)(C)OC(=O)C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000248392085 534747196 /nfs/dbraw/zinc/74/71/96/534747196.db2.gz KADQYSICTBXDSS-DTWKUNHWSA-N 1 2 231.292 -0.244 20 0 BBADLO CCCCOC(=O)C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000248396164 135004537 /nfs/dbraw/zinc/00/45/37/135004537.db2.gz PMSKGXJMDYUWNQ-VHSXEESVSA-N 1 2 231.292 -0.243 20 0 BBADLO CCCCOC(=O)C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000248396164 135004534 /nfs/dbraw/zinc/00/45/34/135004534.db2.gz PMSKGXJMDYUWNQ-VHSXEESVSA-N 1 2 231.292 -0.243 20 0 BBADLO CCCOC(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@H]1CO ZINC000248400175 135004961 /nfs/dbraw/zinc/00/49/61/135004961.db2.gz XBTLHHJJXNDWBR-LPEHRKFASA-N 1 2 231.292 -0.244 20 0 BBADLO CCCOC(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000248400175 135004960 /nfs/dbraw/zinc/00/49/60/135004960.db2.gz XBTLHHJJXNDWBR-LPEHRKFASA-N 1 2 231.292 -0.244 20 0 BBADLO COC(=O)[C@H]1C[N@@H+](C[C@H](C)OC)CCO1 ZINC000248413342 388679043 /nfs/dbraw/zinc/67/90/43/388679043.db2.gz GAUULQYPQIPELC-DTWKUNHWSA-N 1 2 217.265 -0.105 20 0 BBADLO COC(=O)[C@H]1C[N@H+](C[C@H](C)OC)CCO1 ZINC000248413342 388679041 /nfs/dbraw/zinc/67/90/41/388679041.db2.gz GAUULQYPQIPELC-DTWKUNHWSA-N 1 2 217.265 -0.105 20 0 BBADLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1C[C@H](C)OC ZINC000248443351 384317562 /nfs/dbraw/zinc/31/75/62/384317562.db2.gz VSURKGJMGQNDGN-DTWKUNHWSA-N 1 2 244.291 -0.615 20 0 BBADLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1C[C@H](C)OC ZINC000248443351 384317554 /nfs/dbraw/zinc/31/75/54/384317554.db2.gz VSURKGJMGQNDGN-DTWKUNHWSA-N 1 2 244.291 -0.615 20 0 BBADLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](C)OC ZINC000248443353 384317626 /nfs/dbraw/zinc/31/76/26/384317626.db2.gz VSURKGJMGQNDGN-RKDXNWHRSA-N 1 2 244.291 -0.615 20 0 BBADLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1C[C@@H](C)OC ZINC000248443353 384317623 /nfs/dbraw/zinc/31/76/23/384317623.db2.gz VSURKGJMGQNDGN-RKDXNWHRSA-N 1 2 244.291 -0.615 20 0 BBADLO NC(=O)[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000248565672 387019201 /nfs/dbraw/zinc/01/92/01/387019201.db2.gz KSCPQZCAJOIKJK-NTSWFWBYSA-N 1 2 242.197 -0.904 20 0 BBADLO NC(=O)[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000248565672 387019197 /nfs/dbraw/zinc/01/91/97/387019197.db2.gz KSCPQZCAJOIKJK-NTSWFWBYSA-N 1 2 242.197 -0.904 20 0 BBADLO NC(=O)[C@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000248565675 387019166 /nfs/dbraw/zinc/01/91/66/387019166.db2.gz KSCPQZCAJOIKJK-PHDIDXHHSA-N 1 2 242.197 -0.904 20 0 BBADLO NC(=O)[C@H]1C[N@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000248565675 387019162 /nfs/dbraw/zinc/01/91/62/387019162.db2.gz KSCPQZCAJOIKJK-PHDIDXHHSA-N 1 2 242.197 -0.904 20 0 BBADLO NC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)C(F)(F)F ZINC000248576868 386466971 /nfs/dbraw/zinc/46/69/71/386466971.db2.gz NQAWGSRISPWUMH-NTSWFWBYSA-N 1 2 226.198 -0.141 20 0 BBADLO NC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000248576868 386466965 /nfs/dbraw/zinc/46/69/65/386466965.db2.gz NQAWGSRISPWUMH-NTSWFWBYSA-N 1 2 226.198 -0.141 20 0 BBADLO NC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)C(F)(F)F ZINC000248576871 386466464 /nfs/dbraw/zinc/46/64/64/386466464.db2.gz NQAWGSRISPWUMH-PHDIDXHHSA-N 1 2 226.198 -0.141 20 0 BBADLO NC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000248576871 386466460 /nfs/dbraw/zinc/46/64/60/386466460.db2.gz NQAWGSRISPWUMH-PHDIDXHHSA-N 1 2 226.198 -0.141 20 0 BBADLO CCCNC(=O)C[N@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000248628372 135017658 /nfs/dbraw/zinc/01/76/58/135017658.db2.gz PKVDRPSKDXHSTN-QWRGUYRKSA-N 1 2 244.335 -0.016 20 0 BBADLO CCCNC(=O)C[N@@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000248628372 135017656 /nfs/dbraw/zinc/01/76/56/135017656.db2.gz PKVDRPSKDXHSTN-QWRGUYRKSA-N 1 2 244.335 -0.016 20 0 BBADLO CCCNC(=O)C[N@H+]1CCOC[C@H]1C[C@H](C)O ZINC000248628373 135017488 /nfs/dbraw/zinc/01/74/88/135017488.db2.gz PKVDRPSKDXHSTN-WDEREUQCSA-N 1 2 244.335 -0.016 20 0 BBADLO CCCNC(=O)C[N@@H+]1CCOC[C@H]1C[C@H](C)O ZINC000248628373 135017487 /nfs/dbraw/zinc/01/74/87/135017487.db2.gz PKVDRPSKDXHSTN-WDEREUQCSA-N 1 2 244.335 -0.016 20 0 BBADLO CC(C)NC(=O)C[N@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000248643679 135018264 /nfs/dbraw/zinc/01/82/64/135018264.db2.gz ZATROHTVMRDCEG-QWRGUYRKSA-N 1 2 244.335 -0.017 20 0 BBADLO CC(C)NC(=O)C[N@@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000248643679 135018263 /nfs/dbraw/zinc/01/82/63/135018263.db2.gz ZATROHTVMRDCEG-QWRGUYRKSA-N 1 2 244.335 -0.017 20 0 BBADLO CC(C)NC(=O)C[N@H+]1CCOC[C@H]1C[C@H](C)O ZINC000248643683 135018541 /nfs/dbraw/zinc/01/85/41/135018541.db2.gz ZATROHTVMRDCEG-WDEREUQCSA-N 1 2 244.335 -0.017 20 0 BBADLO CC(C)NC(=O)C[N@@H+]1CCOC[C@H]1C[C@H](C)O ZINC000248643683 135018539 /nfs/dbraw/zinc/01/85/39/135018539.db2.gz ZATROHTVMRDCEG-WDEREUQCSA-N 1 2 244.335 -0.017 20 0 BBADLO COC(C[N@H+]1CCN(C[C@H](C)O)C[C@H]1C)OC ZINC000248647308 635678370 /nfs/dbraw/zinc/67/83/70/635678370.db2.gz IGUVTPOLSIOPFW-MNOVXSKESA-N 1 2 246.351 -0.008 20 0 BBADLO COC(C[N@@H+]1CCN(C[C@H](C)O)C[C@H]1C)OC ZINC000248647308 635678368 /nfs/dbraw/zinc/67/83/68/635678368.db2.gz IGUVTPOLSIOPFW-MNOVXSKESA-N 1 2 246.351 -0.008 20 0 BBADLO COC(C[N@H+]1CCN(C[C@H](C)O)C[C@@H]1C)OC ZINC000248647310 635677756 /nfs/dbraw/zinc/67/77/56/635677756.db2.gz IGUVTPOLSIOPFW-QWRGUYRKSA-N 1 2 246.351 -0.008 20 0 BBADLO COC(C[N@@H+]1CCN(C[C@H](C)O)C[C@@H]1C)OC ZINC000248647310 635677753 /nfs/dbraw/zinc/67/77/53/635677753.db2.gz IGUVTPOLSIOPFW-QWRGUYRKSA-N 1 2 246.351 -0.008 20 0 BBADLO Cc1nnc([C@@H]2C[N@@H+](C[C@H](C)O)CCO2)[nH]1 ZINC000248657669 388687764 /nfs/dbraw/zinc/68/77/64/388687764.db2.gz SSVDASBDTOKJIS-CBAPKCEASA-N 1 2 226.280 -0.133 20 0 BBADLO Cc1nnc([C@@H]2C[N@H+](C[C@H](C)O)CCO2)[nH]1 ZINC000248657669 388687763 /nfs/dbraw/zinc/68/77/63/388687763.db2.gz SSVDASBDTOKJIS-CBAPKCEASA-N 1 2 226.280 -0.133 20 0 BBADLO Cc1nnc([C@H]2C[N@@H+](C[C@H](C)O)CCO2)[nH]1 ZINC000248657672 387322746 /nfs/dbraw/zinc/32/27/46/387322746.db2.gz SSVDASBDTOKJIS-IONNQARKSA-N 1 2 226.280 -0.133 20 0 BBADLO Cc1nnc([C@H]2C[N@H+](C[C@H](C)O)CCO2)[nH]1 ZINC000248657672 387322741 /nfs/dbraw/zinc/32/27/41/387322741.db2.gz SSVDASBDTOKJIS-IONNQARKSA-N 1 2 226.280 -0.133 20 0 BBADLO Cc1nc(N2CC[C@@H](CO)[C@@H](O)C2)cc[nH+]1 ZINC000248676494 349144994 /nfs/dbraw/zinc/14/49/94/349144994.db2.gz TXHGTYFYVRSYKV-UWVGGRQHSA-N 1 2 223.276 -0.035 20 0 BBADLO Cc1nc(N2CC[C@H](CO)[C@@H](O)C2)cc[nH+]1 ZINC000248676496 349145636 /nfs/dbraw/zinc/14/56/36/349145636.db2.gz TXHGTYFYVRSYKV-ZJUUUORDSA-N 1 2 223.276 -0.035 20 0 BBADLO CC[C@H]([NH2+]C[C@@H]1CC[C@@H](C(N)=O)O1)C(=O)OC ZINC000248713048 325618134 /nfs/dbraw/zinc/61/81/34/325618134.db2.gz DDABXIYPSKNHLP-CIUDSAMLSA-N 1 2 244.291 -0.440 20 0 BBADLO CC[C@H]([NH2+]C[C@H]1CC[C@@H](C(N)=O)O1)C(=O)OC ZINC000248713050 388690969 /nfs/dbraw/zinc/69/09/69/388690969.db2.gz DDABXIYPSKNHLP-VGMNWLOBSA-N 1 2 244.291 -0.440 20 0 BBADLO C[C@@H]1CC[N@@H+](Cc2nnn(C)n2)[C@H]1CO ZINC000248753291 386924437 /nfs/dbraw/zinc/92/44/37/386924437.db2.gz HLCYSVYQTWBMBL-SFYZADRCSA-N 1 2 211.269 -0.587 20 0 BBADLO C[C@@H]1CC[N@H+](Cc2nnn(C)n2)[C@H]1CO ZINC000248753291 386924433 /nfs/dbraw/zinc/92/44/33/386924433.db2.gz HLCYSVYQTWBMBL-SFYZADRCSA-N 1 2 211.269 -0.587 20 0 BBADLO C[C@H]1CC[N@@H+](Cc2nnn(C)n2)[C@H]1CO ZINC000248753295 386925152 /nfs/dbraw/zinc/92/51/52/386925152.db2.gz HLCYSVYQTWBMBL-YUMQZZPRSA-N 1 2 211.269 -0.587 20 0 BBADLO C[C@H]1CC[N@H+](Cc2nnn(C)n2)[C@H]1CO ZINC000248753295 386925147 /nfs/dbraw/zinc/92/51/47/386925147.db2.gz HLCYSVYQTWBMBL-YUMQZZPRSA-N 1 2 211.269 -0.587 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000248827259 387041757 /nfs/dbraw/zinc/04/17/57/387041757.db2.gz KPUSGEXEEUMHCC-BBBLOLIVSA-N 1 2 230.308 -0.455 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000248827259 387041753 /nfs/dbraw/zinc/04/17/53/387041753.db2.gz KPUSGEXEEUMHCC-BBBLOLIVSA-N 1 2 230.308 -0.455 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000248827264 387040590 /nfs/dbraw/zinc/04/05/90/387040590.db2.gz KPUSGEXEEUMHCC-UTLUCORTSA-N 1 2 230.308 -0.455 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000248827264 387040588 /nfs/dbraw/zinc/04/05/88/387040588.db2.gz KPUSGEXEEUMHCC-UTLUCORTSA-N 1 2 230.308 -0.455 20 0 BBADLO Cn1nnc(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)n1 ZINC000248837361 387793203 /nfs/dbraw/zinc/79/32/03/387793203.db2.gz ORFTXNVAKLQIFS-DTWKUNHWSA-N 1 2 225.296 -0.197 20 0 BBADLO Cn1nnc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)n1 ZINC000248837361 387793201 /nfs/dbraw/zinc/79/32/01/387793201.db2.gz ORFTXNVAKLQIFS-DTWKUNHWSA-N 1 2 225.296 -0.197 20 0 BBADLO Cn1nnc(C[N@@H+](C)C[C@H]2CCC[C@H]2O)n1 ZINC000248837365 387793087 /nfs/dbraw/zinc/79/30/87/387793087.db2.gz ORFTXNVAKLQIFS-RKDXNWHRSA-N 1 2 225.296 -0.197 20 0 BBADLO Cn1nnc(C[N@H+](C)C[C@H]2CCC[C@H]2O)n1 ZINC000248837365 387793081 /nfs/dbraw/zinc/79/30/81/387793081.db2.gz ORFTXNVAKLQIFS-RKDXNWHRSA-N 1 2 225.296 -0.197 20 0 BBADLO COC(C[N@H+]1C[C@@H](C)O[C@H](CO)C1)OC ZINC000248838696 644699691 /nfs/dbraw/zinc/69/96/91/644699691.db2.gz NARZTZSLASEONB-BDAKNGLRSA-N 1 2 219.281 -0.313 20 0 BBADLO COC(C[N@@H+]1C[C@@H](C)O[C@H](CO)C1)OC ZINC000248838696 644699687 /nfs/dbraw/zinc/69/96/87/644699687.db2.gz NARZTZSLASEONB-BDAKNGLRSA-N 1 2 219.281 -0.313 20 0 BBADLO COC(C[N@H+]1C[C@H](C)O[C@H](CO)C1)OC ZINC000248838698 644700150 /nfs/dbraw/zinc/70/01/50/644700150.db2.gz NARZTZSLASEONB-IUCAKERBSA-N 1 2 219.281 -0.313 20 0 BBADLO COC(C[N@@H+]1C[C@H](C)O[C@H](CO)C1)OC ZINC000248838698 644700145 /nfs/dbraw/zinc/70/01/45/644700145.db2.gz NARZTZSLASEONB-IUCAKERBSA-N 1 2 219.281 -0.313 20 0 BBADLO C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H](CO)O1 ZINC000248846978 387198236 /nfs/dbraw/zinc/19/82/36/387198236.db2.gz PIERVYIAVWLNII-MNOVXSKESA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H](CO)O1 ZINC000248846978 387198230 /nfs/dbraw/zinc/19/82/30/387198230.db2.gz PIERVYIAVWLNII-MNOVXSKESA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H](CO)O1 ZINC000248846982 387198224 /nfs/dbraw/zinc/19/82/24/387198224.db2.gz PIERVYIAVWLNII-QWRGUYRKSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H]1C[N@H+](CCN2CCCC2=O)C[C@@H](CO)O1 ZINC000248846982 387198223 /nfs/dbraw/zinc/19/82/23/387198223.db2.gz PIERVYIAVWLNII-QWRGUYRKSA-N 1 2 242.319 -0.310 20 0 BBADLO CC(C)NC(=O)C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000248854914 387357347 /nfs/dbraw/zinc/35/73/47/387357347.db2.gz QUNCDSGVCGMNJF-UWVGGRQHSA-N 1 2 230.308 -0.407 20 0 BBADLO CC(C)NC(=O)C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000248854914 387357342 /nfs/dbraw/zinc/35/73/42/387357342.db2.gz QUNCDSGVCGMNJF-UWVGGRQHSA-N 1 2 230.308 -0.407 20 0 BBADLO CC(C)NC(=O)C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000248854922 387358160 /nfs/dbraw/zinc/35/81/60/387358160.db2.gz QUNCDSGVCGMNJF-ZJUUUORDSA-N 1 2 230.308 -0.407 20 0 BBADLO CC(C)NC(=O)C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000248854922 387358154 /nfs/dbraw/zinc/35/81/54/387358154.db2.gz QUNCDSGVCGMNJF-ZJUUUORDSA-N 1 2 230.308 -0.407 20 0 BBADLO C[C@@H]1C[N@H+]([C@H]2CCCCNC2=O)C[C@H](CO)O1 ZINC000248855289 135023956 /nfs/dbraw/zinc/02/39/56/135023956.db2.gz QYDHOWJSRQQJNG-MXWKQRLJSA-N 1 2 242.319 -0.263 20 0 BBADLO C[C@@H]1C[N@@H+]([C@H]2CCCCNC2=O)C[C@H](CO)O1 ZINC000248855289 135023954 /nfs/dbraw/zinc/02/39/54/135023954.db2.gz QYDHOWJSRQQJNG-MXWKQRLJSA-N 1 2 242.319 -0.263 20 0 BBADLO C[C@@H]1C[N@H+]([C@H]2CCCCNC2=O)C[C@@H](CO)O1 ZINC000248855292 135023965 /nfs/dbraw/zinc/02/39/65/135023965.db2.gz QYDHOWJSRQQJNG-VWYCJHECSA-N 1 2 242.319 -0.263 20 0 BBADLO C[C@@H]1C[N@@H+]([C@H]2CCCCNC2=O)C[C@@H](CO)O1 ZINC000248855292 135023964 /nfs/dbraw/zinc/02/39/64/135023964.db2.gz QYDHOWJSRQQJNG-VWYCJHECSA-N 1 2 242.319 -0.263 20 0 BBADLO C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H](CO)O1 ZINC000248858415 387360846 /nfs/dbraw/zinc/36/08/46/387360846.db2.gz RNZGVIOXCGGNNI-BBBLOLIVSA-N 1 2 228.292 -0.701 20 0 BBADLO C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H](CO)O1 ZINC000248858415 387360843 /nfs/dbraw/zinc/36/08/43/387360843.db2.gz RNZGVIOXCGGNNI-BBBLOLIVSA-N 1 2 228.292 -0.701 20 0 BBADLO C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@@H](CO)O1 ZINC000248858426 387361162 /nfs/dbraw/zinc/36/11/62/387361162.db2.gz RNZGVIOXCGGNNI-UTLUCORTSA-N 1 2 228.292 -0.701 20 0 BBADLO C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@@H](CO)O1 ZINC000248858426 387361157 /nfs/dbraw/zinc/36/11/57/387361157.db2.gz RNZGVIOXCGGNNI-UTLUCORTSA-N 1 2 228.292 -0.701 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000248870246 387385237 /nfs/dbraw/zinc/38/52/37/387385237.db2.gz UTEVVEAYIIAPCG-DJLDLDEBSA-N 1 2 216.281 -0.668 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000248870246 387385233 /nfs/dbraw/zinc/38/52/33/387385233.db2.gz UTEVVEAYIIAPCG-DJLDLDEBSA-N 1 2 216.281 -0.668 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000248870251 387384218 /nfs/dbraw/zinc/38/42/18/387384218.db2.gz UTEVVEAYIIAPCG-HRDYMLBCSA-N 1 2 216.281 -0.668 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000248870251 387384216 /nfs/dbraw/zinc/38/42/16/387384216.db2.gz UTEVVEAYIIAPCG-HRDYMLBCSA-N 1 2 216.281 -0.668 20 0 BBADLO CCCNC(=O)[C@H](C)[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000248873233 169246610 /nfs/dbraw/zinc/24/66/10/169246610.db2.gz VLXAOMOVNMDEGB-GARJFASQSA-N 1 2 244.335 -0.017 20 0 BBADLO CCCNC(=O)[C@H](C)[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000248873233 169246608 /nfs/dbraw/zinc/24/66/08/169246608.db2.gz VLXAOMOVNMDEGB-GARJFASQSA-N 1 2 244.335 -0.017 20 0 BBADLO CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000248873236 535115453 /nfs/dbraw/zinc/11/54/53/535115453.db2.gz VLXAOMOVNMDEGB-VWYCJHECSA-N 1 2 244.335 -0.017 20 0 BBADLO CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000248873236 535115450 /nfs/dbraw/zinc/11/54/50/535115450.db2.gz VLXAOMOVNMDEGB-VWYCJHECSA-N 1 2 244.335 -0.017 20 0 BBADLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC(N)=O ZINC000248885024 135024658 /nfs/dbraw/zinc/02/46/58/135024658.db2.gz XPBJKVYPUWKMJO-NRPADANISA-N 1 2 226.276 -0.255 20 0 BBADLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC(N)=O ZINC000248885024 135024657 /nfs/dbraw/zinc/02/46/57/135024657.db2.gz XPBJKVYPUWKMJO-NRPADANISA-N 1 2 226.276 -0.255 20 0 BBADLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC(N)=O ZINC000248885028 135024392 /nfs/dbraw/zinc/02/43/92/135024392.db2.gz XPBJKVYPUWKMJO-XKSSXDPKSA-N 1 2 226.276 -0.255 20 0 BBADLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC(N)=O ZINC000248885028 135024390 /nfs/dbraw/zinc/02/43/90/135024390.db2.gz XPBJKVYPUWKMJO-XKSSXDPKSA-N 1 2 226.276 -0.255 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)C[C@H](CO)O1 ZINC000248890058 387453584 /nfs/dbraw/zinc/45/35/84/387453584.db2.gz YPPBLYVBGIEBCN-BWZBUEFSSA-N 1 2 243.225 -0.009 20 0 BBADLO C[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)C[C@H](CO)O1 ZINC000248890058 387453579 /nfs/dbraw/zinc/45/35/79/387453579.db2.gz YPPBLYVBGIEBCN-BWZBUEFSSA-N 1 2 243.225 -0.009 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)C[C@@H](CO)O1 ZINC000248890060 387454135 /nfs/dbraw/zinc/45/41/35/387454135.db2.gz YPPBLYVBGIEBCN-CSMHCCOUSA-N 1 2 243.225 -0.009 20 0 BBADLO C[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)C[C@@H](CO)O1 ZINC000248890060 387454131 /nfs/dbraw/zinc/45/41/31/387454131.db2.gz YPPBLYVBGIEBCN-CSMHCCOUSA-N 1 2 243.225 -0.009 20 0 BBADLO COC(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO ZINC000248910052 388698397 /nfs/dbraw/zinc/69/83/97/388698397.db2.gz ISRWRUIDYVBATF-HTQZYQBOSA-N 1 2 205.254 -0.777 20 0 BBADLO COC(=O)C[N@H+](C[C@@H](C)O)[C@H](C)CO ZINC000248910052 388698396 /nfs/dbraw/zinc/69/83/96/388698396.db2.gz ISRWRUIDYVBATF-HTQZYQBOSA-N 1 2 205.254 -0.777 20 0 BBADLO COC(=O)C[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000248910055 388698770 /nfs/dbraw/zinc/69/87/70/388698770.db2.gz ISRWRUIDYVBATF-SFYZADRCSA-N 1 2 205.254 -0.777 20 0 BBADLO COC(=O)C[N@H+](C[C@H](C)O)[C@H](C)CO ZINC000248910055 388698768 /nfs/dbraw/zinc/69/87/68/388698768.db2.gz ISRWRUIDYVBATF-SFYZADRCSA-N 1 2 205.254 -0.777 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000248911361 387481036 /nfs/dbraw/zinc/48/10/36/387481036.db2.gz CBOXGCHYLJILSH-SCZZXKLOSA-N 1 2 214.265 -0.649 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000248911361 387481032 /nfs/dbraw/zinc/48/10/32/387481032.db2.gz CBOXGCHYLJILSH-SCZZXKLOSA-N 1 2 214.265 -0.649 20 0 BBADLO C[C@@H](C(N)=O)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000248911365 387481064 /nfs/dbraw/zinc/48/10/64/387481064.db2.gz CBOXGCHYLJILSH-WPRPVWTQSA-N 1 2 214.265 -0.649 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000248911365 387481061 /nfs/dbraw/zinc/48/10/61/387481061.db2.gz CBOXGCHYLJILSH-WPRPVWTQSA-N 1 2 214.265 -0.649 20 0 BBADLO CCOC(=O)C[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000248914905 388700070 /nfs/dbraw/zinc/70/00/70/388700070.db2.gz JQMDYTNUZWRTPZ-BDAKNGLRSA-N 1 2 219.281 -0.387 20 0 BBADLO CCOC(=O)C[N@H+](C[C@H](C)O)[C@H](C)CO ZINC000248914905 388700068 /nfs/dbraw/zinc/70/00/68/388700068.db2.gz JQMDYTNUZWRTPZ-BDAKNGLRSA-N 1 2 219.281 -0.387 20 0 BBADLO CCOC(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO ZINC000248914906 388699302 /nfs/dbraw/zinc/69/93/02/388699302.db2.gz JQMDYTNUZWRTPZ-RKDXNWHRSA-N 1 2 219.281 -0.387 20 0 BBADLO CCOC(=O)C[N@H+](C[C@@H](C)O)[C@H](C)CO ZINC000248914906 388699300 /nfs/dbraw/zinc/69/93/00/388699300.db2.gz JQMDYTNUZWRTPZ-RKDXNWHRSA-N 1 2 219.281 -0.387 20 0 BBADLO CCc1nnc(C[N@@H+](C[C@H](C)O)[C@H](C)CO)[nH]1 ZINC000248944593 388701344 /nfs/dbraw/zinc/70/13/44/388701344.db2.gz OOJOPZIAYLIOSC-BDAKNGLRSA-N 1 2 242.323 -0.069 20 0 BBADLO CCc1nnc(C[N@H+](C[C@H](C)O)[C@H](C)CO)[nH]1 ZINC000248944593 388701343 /nfs/dbraw/zinc/70/13/43/388701343.db2.gz OOJOPZIAYLIOSC-BDAKNGLRSA-N 1 2 242.323 -0.069 20 0 BBADLO CCc1nnc(C[N@@H+](C[C@@H](C)O)[C@H](C)CO)[nH]1 ZINC000248944596 388700703 /nfs/dbraw/zinc/70/07/03/388700703.db2.gz OOJOPZIAYLIOSC-RKDXNWHRSA-N 1 2 242.323 -0.069 20 0 BBADLO CCc1nnc(C[N@H+](C[C@@H](C)O)[C@H](C)CO)[nH]1 ZINC000248944596 388700701 /nfs/dbraw/zinc/70/07/01/388700701.db2.gz OOJOPZIAYLIOSC-RKDXNWHRSA-N 1 2 242.323 -0.069 20 0 BBADLO C[C@@H](O)CC[N@@H+](C)[C@H](C)c1nnnn1C ZINC000248951071 384430766 /nfs/dbraw/zinc/43/07/66/384430766.db2.gz FDRRPDKFVJIJDU-HTQZYQBOSA-N 1 2 213.285 -0.026 20 0 BBADLO C[C@@H](O)CC[N@H+](C)[C@H](C)c1nnnn1C ZINC000248951071 384430759 /nfs/dbraw/zinc/43/07/59/384430759.db2.gz FDRRPDKFVJIJDU-HTQZYQBOSA-N 1 2 213.285 -0.026 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+](C)CC[C@H](C)O ZINC000248951074 384432173 /nfs/dbraw/zinc/43/21/73/384432173.db2.gz FDRRPDKFVJIJDU-JGVFFNPUSA-N 1 2 213.285 -0.026 20 0 BBADLO C[C@H](c1nnnn1C)[N@@H+](C)CC[C@H](C)O ZINC000248951074 384432169 /nfs/dbraw/zinc/43/21/69/384432169.db2.gz FDRRPDKFVJIJDU-JGVFFNPUSA-N 1 2 213.285 -0.026 20 0 BBADLO Cc1nc(C[N@H+](C[C@@H](C)O)[C@H](C)CO)no1 ZINC000248966831 384436074 /nfs/dbraw/zinc/43/60/74/384436074.db2.gz RXLGYQXOAPMUHE-HTQZYQBOSA-N 1 2 229.280 -0.058 20 0 BBADLO Cc1nc(C[N@@H+](C[C@@H](C)O)[C@H](C)CO)no1 ZINC000248966831 384436067 /nfs/dbraw/zinc/43/60/67/384436067.db2.gz RXLGYQXOAPMUHE-HTQZYQBOSA-N 1 2 229.280 -0.058 20 0 BBADLO Cc1nc(C[N@H+](C[C@H](C)O)[C@H](C)CO)no1 ZINC000248966834 384436221 /nfs/dbraw/zinc/43/62/21/384436221.db2.gz RXLGYQXOAPMUHE-SFYZADRCSA-N 1 2 229.280 -0.058 20 0 BBADLO Cc1nc(C[N@@H+](C[C@H](C)O)[C@H](C)CO)no1 ZINC000248966834 384436216 /nfs/dbraw/zinc/43/62/16/384436216.db2.gz RXLGYQXOAPMUHE-SFYZADRCSA-N 1 2 229.280 -0.058 20 0 BBADLO CC[C@H](COC)[NH2+][C@@H](C(=O)OC)[C@H](C)O ZINC000248973231 325630131 /nfs/dbraw/zinc/63/01/31/325630131.db2.gz DBSUYLUXBNOROH-DJLDLDEBSA-N 1 2 219.281 -0.077 20 0 BBADLO CC[C@H](COC)[NH2+][C@H](C(=O)OC)[C@H](C)O ZINC000248973234 323075708 /nfs/dbraw/zinc/07/57/08/323075708.db2.gz DBSUYLUXBNOROH-YIZRAAEISA-N 1 2 219.281 -0.077 20 0 BBADLO C[C@@H]1COCCN1CC[N@H+]1CCNC(=O)[C@H]1C ZINC000248991466 135029321 /nfs/dbraw/zinc/02/93/21/135029321.db2.gz FYEVYOSXDZIZBG-GHMZBOCLSA-N 1 2 241.335 -0.473 20 0 BBADLO C[C@@H]1COCCN1CC[N@@H+]1CCNC(=O)[C@H]1C ZINC000248991466 135029319 /nfs/dbraw/zinc/02/93/19/135029319.db2.gz FYEVYOSXDZIZBG-GHMZBOCLSA-N 1 2 241.335 -0.473 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCN1CCNC(=O)[C@H]1C ZINC000248991466 135029318 /nfs/dbraw/zinc/02/93/18/135029318.db2.gz FYEVYOSXDZIZBG-GHMZBOCLSA-N 1 2 241.335 -0.473 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCN1CCNC(=O)[C@H]1C ZINC000248991466 135029317 /nfs/dbraw/zinc/02/93/17/135029317.db2.gz FYEVYOSXDZIZBG-GHMZBOCLSA-N 1 2 241.335 -0.473 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1CCN1CCOC[C@@H]1C ZINC000248991467 135030079 /nfs/dbraw/zinc/03/00/79/135030079.db2.gz FYEVYOSXDZIZBG-WDEREUQCSA-N 1 2 241.335 -0.473 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1CCN1CCOC[C@@H]1C ZINC000248991467 135030078 /nfs/dbraw/zinc/03/00/78/135030078.db2.gz FYEVYOSXDZIZBG-WDEREUQCSA-N 1 2 241.335 -0.473 20 0 BBADLO C[C@@H]1C(=O)NCCN1CC[N@@H+]1CCOC[C@@H]1C ZINC000248991467 135030076 /nfs/dbraw/zinc/03/00/76/135030076.db2.gz FYEVYOSXDZIZBG-WDEREUQCSA-N 1 2 241.335 -0.473 20 0 BBADLO C[C@@H]1C(=O)NCCN1CC[N@H+]1CCOC[C@@H]1C ZINC000248991467 135030074 /nfs/dbraw/zinc/03/00/74/135030074.db2.gz FYEVYOSXDZIZBG-WDEREUQCSA-N 1 2 241.335 -0.473 20 0 BBADLO C[C@@H]1C[N@@H+](CCN2CCNC(=O)[C@H]2C)CCO1 ZINC000248993338 135029997 /nfs/dbraw/zinc/02/99/97/135029997.db2.gz GEVHONRPLGRGMQ-GHMZBOCLSA-N 1 2 241.335 -0.473 20 0 BBADLO C[C@@H]1C[N@H+](CCN2CCNC(=O)[C@H]2C)CCO1 ZINC000248993338 135029996 /nfs/dbraw/zinc/02/99/96/135029996.db2.gz GEVHONRPLGRGMQ-GHMZBOCLSA-N 1 2 241.335 -0.473 20 0 BBADLO C[C@@H]1C(=O)NCCN1CC[N@H+]1CCO[C@@H](C)C1 ZINC000248993340 135029220 /nfs/dbraw/zinc/02/92/20/135029220.db2.gz GEVHONRPLGRGMQ-WDEREUQCSA-N 1 2 241.335 -0.473 20 0 BBADLO C[C@@H]1C(=O)NCCN1CC[N@@H+]1CCO[C@@H](C)C1 ZINC000248993340 135029218 /nfs/dbraw/zinc/02/92/18/135029218.db2.gz GEVHONRPLGRGMQ-WDEREUQCSA-N 1 2 241.335 -0.473 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249002973 135029102 /nfs/dbraw/zinc/02/91/02/135029102.db2.gz NJZZEJSXIFNQSU-KOLCDFICSA-N 1 2 228.292 -0.258 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249002973 135029100 /nfs/dbraw/zinc/02/91/00/135029100.db2.gz NJZZEJSXIFNQSU-KOLCDFICSA-N 1 2 228.292 -0.258 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249002975 535453577 /nfs/dbraw/zinc/45/35/77/535453577.db2.gz NJZZEJSXIFNQSU-ONGXEEELSA-N 1 2 228.292 -0.258 20 0 BBADLO CC[C@@H](C(N)=O)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249002975 535453574 /nfs/dbraw/zinc/45/35/74/535453574.db2.gz NJZZEJSXIFNQSU-ONGXEEELSA-N 1 2 228.292 -0.258 20 0 BBADLO CN1CC[C@H]([N@H+]2CCO[C@@]3(CCOC3)C2)C1=O ZINC000249029229 135031021 /nfs/dbraw/zinc/03/10/21/135031021.db2.gz SFXDFJWRZFESOF-JQWIXIFHSA-N 1 2 240.303 -0.292 20 0 BBADLO CN1CC[C@H]([N@@H+]2CCO[C@@]3(CCOC3)C2)C1=O ZINC000249029229 135031020 /nfs/dbraw/zinc/03/10/20/135031020.db2.gz SFXDFJWRZFESOF-JQWIXIFHSA-N 1 2 240.303 -0.292 20 0 BBADLO CN1CC[C@@H]([N@H+]2CCO[C@@]3(CCOC3)C2)C1=O ZINC000249029232 536452506 /nfs/dbraw/zinc/45/25/06/536452506.db2.gz SFXDFJWRZFESOF-PWSUYJOCSA-N 1 2 240.303 -0.292 20 0 BBADLO CN1CC[C@@H]([N@@H+]2CCO[C@@]3(CCOC3)C2)C1=O ZINC000249029232 536452503 /nfs/dbraw/zinc/45/25/03/536452503.db2.gz SFXDFJWRZFESOF-PWSUYJOCSA-N 1 2 240.303 -0.292 20 0 BBADLO CC[C@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC)CCO1 ZINC000249039402 387515040 /nfs/dbraw/zinc/51/50/40/387515040.db2.gz BEBPJLXCPXNAGW-BDAKNGLRSA-N 1 2 243.307 -0.059 20 0 BBADLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC)CCO1 ZINC000249039402 387515037 /nfs/dbraw/zinc/51/50/37/387515037.db2.gz BEBPJLXCPXNAGW-BDAKNGLRSA-N 1 2 243.307 -0.059 20 0 BBADLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC)CCO1 ZINC000249039403 387516306 /nfs/dbraw/zinc/51/63/06/387516306.db2.gz BEBPJLXCPXNAGW-RKDXNWHRSA-N 1 2 243.307 -0.059 20 0 BBADLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC)CCO1 ZINC000249039403 387516301 /nfs/dbraw/zinc/51/63/01/387516301.db2.gz BEBPJLXCPXNAGW-RKDXNWHRSA-N 1 2 243.307 -0.059 20 0 BBADLO CCC(=O)CC[N@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000249040166 135031307 /nfs/dbraw/zinc/03/13/07/135031307.db2.gz NBTVVXCVJHWRSD-UWVGGRQHSA-N 1 2 229.276 -0.036 20 0 BBADLO CCC(=O)CC[N@@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000249040166 135031305 /nfs/dbraw/zinc/03/13/05/135031305.db2.gz NBTVVXCVJHWRSD-UWVGGRQHSA-N 1 2 229.276 -0.036 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249069267 135031635 /nfs/dbraw/zinc/03/16/35/135031635.db2.gz ZYNPQWYXCCGCQX-JQWIXIFHSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249069267 135031632 /nfs/dbraw/zinc/03/16/32/135031632.db2.gz ZYNPQWYXCCGCQX-JQWIXIFHSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249069274 135032571 /nfs/dbraw/zinc/03/25/71/135032571.db2.gz ZYNPQWYXCCGCQX-PWSUYJOCSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249069274 135032569 /nfs/dbraw/zinc/03/25/69/135032569.db2.gz ZYNPQWYXCCGCQX-PWSUYJOCSA-N 1 2 242.319 -0.046 20 0 BBADLO COC[C@H](C)C[NH2+][C@@H](C(=O)OC)[C@H](C)O ZINC000249094826 349155334 /nfs/dbraw/zinc/15/53/34/349155334.db2.gz ONFHLWAKIGXKBH-HRDYMLBCSA-N 1 2 219.281 -0.219 20 0 BBADLO COC[C@H](C)C[NH2+][C@H](C(=O)OC)[C@H](C)O ZINC000249094830 349155253 /nfs/dbraw/zinc/15/52/53/349155253.db2.gz ONFHLWAKIGXKBH-VGMNWLOBSA-N 1 2 219.281 -0.219 20 0 BBADLO C[C@H](O)C[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000249218180 388713013 /nfs/dbraw/zinc/71/30/13/388713013.db2.gz TZINHLKARLMRTB-BDAKNGLRSA-N 1 2 236.337 -0.667 20 0 BBADLO C[C@H](O)C[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000249218180 388713012 /nfs/dbraw/zinc/71/30/12/388713012.db2.gz TZINHLKARLMRTB-BDAKNGLRSA-N 1 2 236.337 -0.667 20 0 BBADLO C[C@H](O)C[N@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000249218186 388086274 /nfs/dbraw/zinc/08/62/74/388086274.db2.gz TZINHLKARLMRTB-IUCAKERBSA-N 1 2 236.337 -0.667 20 0 BBADLO C[C@H](O)C[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000249218186 388086272 /nfs/dbraw/zinc/08/62/72/388086272.db2.gz TZINHLKARLMRTB-IUCAKERBSA-N 1 2 236.337 -0.667 20 0 BBADLO Cn1cccc1C(=O)C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000249271725 135036810 /nfs/dbraw/zinc/03/68/10/135036810.db2.gz BHEHRCRWQQKZLI-VHSXEESVSA-N 1 2 238.287 -0.365 20 0 BBADLO Cn1cccc1C(=O)C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000249271725 135036809 /nfs/dbraw/zinc/03/68/09/135036809.db2.gz BHEHRCRWQQKZLI-VHSXEESVSA-N 1 2 238.287 -0.365 20 0 BBADLO CCN1CN(CC[N@H+]2CCO[C@@H](C)C2)CC1=O ZINC000249297919 388716674 /nfs/dbraw/zinc/71/66/74/388716674.db2.gz RLJSIMVTUWHWHU-NSHDSACASA-N 1 2 241.335 -0.171 20 0 BBADLO CCN1CN(CC[N@@H+]2CCO[C@@H](C)C2)CC1=O ZINC000249297919 388716673 /nfs/dbraw/zinc/71/66/73/388716673.db2.gz RLJSIMVTUWHWHU-NSHDSACASA-N 1 2 241.335 -0.171 20 0 BBADLO CNC(=O)[C@H](C)C[N@@H+](C)[C@H](C)c1nnnn1C ZINC000249300470 173301013 /nfs/dbraw/zinc/30/10/13/173301013.db2.gz NLHOYWFGDBHUQD-HTQZYQBOSA-N 1 2 240.311 -0.415 20 0 BBADLO CNC(=O)[C@H](C)C[N@H+](C)[C@H](C)c1nnnn1C ZINC000249300470 173301012 /nfs/dbraw/zinc/30/10/12/173301012.db2.gz NLHOYWFGDBHUQD-HTQZYQBOSA-N 1 2 240.311 -0.415 20 0 BBADLO CNC(=O)[C@@H](C)C[N@@H+](C)[C@H](C)c1nnnn1C ZINC000249300475 173294538 /nfs/dbraw/zinc/29/45/38/173294538.db2.gz NLHOYWFGDBHUQD-JGVFFNPUSA-N 1 2 240.311 -0.415 20 0 BBADLO CNC(=O)[C@@H](C)C[N@H+](C)[C@H](C)c1nnnn1C ZINC000249300475 173294537 /nfs/dbraw/zinc/29/45/37/173294537.db2.gz NLHOYWFGDBHUQD-JGVFFNPUSA-N 1 2 240.311 -0.415 20 0 BBADLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000249319461 384497209 /nfs/dbraw/zinc/49/72/09/384497209.db2.gz KZWUUBQPIBALIV-DTWKUNHWSA-N 1 2 244.291 -0.615 20 0 BBADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000249319461 384497204 /nfs/dbraw/zinc/49/72/04/384497204.db2.gz KZWUUBQPIBALIV-DTWKUNHWSA-N 1 2 244.291 -0.615 20 0 BBADLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000249319466 384497889 /nfs/dbraw/zinc/49/78/89/384497889.db2.gz KZWUUBQPIBALIV-RKDXNWHRSA-N 1 2 244.291 -0.615 20 0 BBADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000249319466 384497882 /nfs/dbraw/zinc/49/78/82/384497882.db2.gz KZWUUBQPIBALIV-RKDXNWHRSA-N 1 2 244.291 -0.615 20 0 BBADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCC(C)=O ZINC000249364722 536543470 /nfs/dbraw/zinc/54/34/70/536543470.db2.gz MGOYFFWDKSDJJJ-UWVGGRQHSA-N 1 2 229.276 -0.036 20 0 BBADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCC(C)=O ZINC000249364722 536543463 /nfs/dbraw/zinc/54/34/63/536543463.db2.gz MGOYFFWDKSDJJJ-UWVGGRQHSA-N 1 2 229.276 -0.036 20 0 BBADLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CCC(C)=O ZINC000249364724 135037398 /nfs/dbraw/zinc/03/73/98/135037398.db2.gz MGOYFFWDKSDJJJ-ZJUUUORDSA-N 1 2 229.276 -0.036 20 0 BBADLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CCC(C)=O ZINC000249364724 135037396 /nfs/dbraw/zinc/03/73/96/135037396.db2.gz MGOYFFWDKSDJJJ-ZJUUUORDSA-N 1 2 229.276 -0.036 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@H]1CO ZINC000249380811 135090479 /nfs/dbraw/zinc/09/04/79/135090479.db2.gz ZYKJKQKEYFOJOE-XHNCKOQMSA-N 1 2 217.265 -0.635 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000249380811 135090478 /nfs/dbraw/zinc/09/04/78/135090478.db2.gz ZYKJKQKEYFOJOE-XHNCKOQMSA-N 1 2 217.265 -0.635 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1C[C@H]1CCCO1 ZINC000249394032 644721558 /nfs/dbraw/zinc/72/15/58/644721558.db2.gz ANUKHZPXKWOMHQ-OPRDCNLKSA-N 1 2 229.276 -0.226 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1C[C@H]1CCCO1 ZINC000249394032 644721556 /nfs/dbraw/zinc/72/15/56/644721556.db2.gz ANUKHZPXKWOMHQ-OPRDCNLKSA-N 1 2 229.276 -0.226 20 0 BBADLO COCC[N@H+]1CCC[C@@H](O)[C@H]1C(=O)OC ZINC000249406468 135038048 /nfs/dbraw/zinc/03/80/48/135038048.db2.gz ULJHLCJCWRDEPB-BDAKNGLRSA-N 1 2 217.265 -0.369 20 0 BBADLO COCC[N@@H+]1CCC[C@@H](O)[C@H]1C(=O)OC ZINC000249406468 135038046 /nfs/dbraw/zinc/03/80/46/135038046.db2.gz ULJHLCJCWRDEPB-BDAKNGLRSA-N 1 2 217.265 -0.369 20 0 BBADLO COCC[N@H+]1CCC[C@H](O)[C@H]1C(=O)OC ZINC000249406469 135037715 /nfs/dbraw/zinc/03/77/15/135037715.db2.gz ULJHLCJCWRDEPB-IUCAKERBSA-N 1 2 217.265 -0.369 20 0 BBADLO COCC[N@@H+]1CCC[C@H](O)[C@H]1C(=O)OC ZINC000249406469 135037714 /nfs/dbraw/zinc/03/77/14/135037714.db2.gz ULJHLCJCWRDEPB-IUCAKERBSA-N 1 2 217.265 -0.369 20 0 BBADLO C[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H](CO)O1 ZINC000249441270 325649578 /nfs/dbraw/zinc/64/95/78/325649578.db2.gz TUIFIMRWLWFXBP-BDAKNGLRSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H](CO)O1 ZINC000249441272 388721377 /nfs/dbraw/zinc/72/13/77/388721377.db2.gz TUIFIMRWLWFXBP-IUCAKERBSA-N 1 2 211.265 -0.009 20 0 BBADLO CSC[C@H](O)C[N@H+]1CCNC(=O)[C@H]1C ZINC000249449538 388123703 /nfs/dbraw/zinc/12/37/03/388123703.db2.gz LYCJZKNTSPCSDC-HTQZYQBOSA-N 1 2 218.322 -0.469 20 0 BBADLO CSC[C@H](O)C[N@@H+]1CCNC(=O)[C@H]1C ZINC000249449538 388123701 /nfs/dbraw/zinc/12/37/01/388123701.db2.gz LYCJZKNTSPCSDC-HTQZYQBOSA-N 1 2 218.322 -0.469 20 0 BBADLO CSC[C@H](O)C[N@H+]1CCNC(=O)[C@@H]1C ZINC000249449540 388123594 /nfs/dbraw/zinc/12/35/94/388123594.db2.gz LYCJZKNTSPCSDC-JGVFFNPUSA-N 1 2 218.322 -0.469 20 0 BBADLO CSC[C@H](O)C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000249449540 388123592 /nfs/dbraw/zinc/12/35/92/388123592.db2.gz LYCJZKNTSPCSDC-JGVFFNPUSA-N 1 2 218.322 -0.469 20 0 BBADLO CCS(=O)(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000249463213 135040092 /nfs/dbraw/zinc/04/00/92/135040092.db2.gz PLIFXILBGVPGCD-VIFPVBQESA-N 1 2 236.337 -0.666 20 0 BBADLO CCS(=O)(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000249463213 135040090 /nfs/dbraw/zinc/04/00/90/135040090.db2.gz PLIFXILBGVPGCD-VIFPVBQESA-N 1 2 236.337 -0.666 20 0 BBADLO C[C@@H](c1nnnn1C)[N@H+]1CCC[C@@H](CO)C1 ZINC000249483806 388124739 /nfs/dbraw/zinc/12/47/39/388124739.db2.gz UAINRFDINAFSPQ-DTWKUNHWSA-N 1 2 225.296 -0.025 20 0 BBADLO C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@@H](CO)C1 ZINC000249483806 388124736 /nfs/dbraw/zinc/12/47/36/388124736.db2.gz UAINRFDINAFSPQ-DTWKUNHWSA-N 1 2 225.296 -0.025 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+]1CCC[C@@H](CO)C1 ZINC000249483810 388124809 /nfs/dbraw/zinc/12/48/09/388124809.db2.gz UAINRFDINAFSPQ-RKDXNWHRSA-N 1 2 225.296 -0.025 20 0 BBADLO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@@H](CO)C1 ZINC000249483810 388124806 /nfs/dbraw/zinc/12/48/06/388124806.db2.gz UAINRFDINAFSPQ-RKDXNWHRSA-N 1 2 225.296 -0.025 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+]1CCC[C@@H](O)C1 ZINC000249489779 388125752 /nfs/dbraw/zinc/12/57/52/388125752.db2.gz VBTALVFAUANEDO-HTQZYQBOSA-N 1 2 211.269 -0.272 20 0 BBADLO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@@H](O)C1 ZINC000249489779 388125751 /nfs/dbraw/zinc/12/57/51/388125751.db2.gz VBTALVFAUANEDO-HTQZYQBOSA-N 1 2 211.269 -0.272 20 0 BBADLO C[C@@H](c1nnnn1C)[N@H+]1CCC[C@@H](O)C1 ZINC000249489782 388125757 /nfs/dbraw/zinc/12/57/57/388125757.db2.gz VBTALVFAUANEDO-JGVFFNPUSA-N 1 2 211.269 -0.272 20 0 BBADLO C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@@H](O)C1 ZINC000249489782 388125756 /nfs/dbraw/zinc/12/57/56/388125756.db2.gz VBTALVFAUANEDO-JGVFFNPUSA-N 1 2 211.269 -0.272 20 0 BBADLO NC(=O)[C@@H]1COCC[N@H+]1CC[C@@H]1CCCO1 ZINC000249498619 135039958 /nfs/dbraw/zinc/03/99/58/135039958.db2.gz WQWQMBSZLKIMFQ-UWVGGRQHSA-N 1 2 228.292 -0.258 20 0 BBADLO NC(=O)[C@@H]1COCC[N@@H+]1CC[C@@H]1CCCO1 ZINC000249498619 135039955 /nfs/dbraw/zinc/03/99/55/135039955.db2.gz WQWQMBSZLKIMFQ-UWVGGRQHSA-N 1 2 228.292 -0.258 20 0 BBADLO NC(=O)[C@@H]1COCC[N@H+]1CC[C@H]1CCCO1 ZINC000249498621 135040403 /nfs/dbraw/zinc/04/04/03/135040403.db2.gz WQWQMBSZLKIMFQ-ZJUUUORDSA-N 1 2 228.292 -0.258 20 0 BBADLO NC(=O)[C@@H]1COCC[N@@H+]1CC[C@H]1CCCO1 ZINC000249498621 135040402 /nfs/dbraw/zinc/04/04/02/135040402.db2.gz WQWQMBSZLKIMFQ-ZJUUUORDSA-N 1 2 228.292 -0.258 20 0 BBADLO C[C@@H]1CN(Cc2c[nH]c[nH+]2)C[C@@H](CO)O1 ZINC000249508521 135040265 /nfs/dbraw/zinc/04/02/65/135040265.db2.gz ZERQJLYZRRZCCB-SCZZXKLOSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@@H]1CN(Cc2c[nH+]c[nH]2)C[C@@H](CO)O1 ZINC000249508521 135040264 /nfs/dbraw/zinc/04/02/64/135040264.db2.gz ZERQJLYZRRZCCB-SCZZXKLOSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@H]1CN(Cc2c[nH]c[nH+]2)C[C@@H](CO)O1 ZINC000249508522 135040179 /nfs/dbraw/zinc/04/01/79/135040179.db2.gz ZERQJLYZRRZCCB-WPRPVWTQSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@H]1CN(Cc2c[nH+]c[nH]2)C[C@@H](CO)O1 ZINC000249508522 135040177 /nfs/dbraw/zinc/04/01/77/135040177.db2.gz ZERQJLYZRRZCCB-WPRPVWTQSA-N 1 2 211.265 -0.009 20 0 BBADLO CCN1CN(CC[N@H+]2CCOC[C@H]2C)CC1=O ZINC000249514997 388725646 /nfs/dbraw/zinc/72/56/46/388725646.db2.gz IVQGAEYIHOYJMJ-LLVKDONJSA-N 1 2 241.335 -0.171 20 0 BBADLO CCN1CN(CC[N@@H+]2CCOC[C@H]2C)CC1=O ZINC000249514997 388725641 /nfs/dbraw/zinc/72/56/41/388725641.db2.gz IVQGAEYIHOYJMJ-LLVKDONJSA-N 1 2 241.335 -0.171 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+]1CCN(CCO)[C@@H](C)C1 ZINC000249556151 384512477 /nfs/dbraw/zinc/51/24/77/384512477.db2.gz JUUBOJGREGQQOG-UWVGGRQHSA-N 1 2 229.324 -0.751 20 0 BBADLO CC[C@@H](C(N)=O)[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000249556151 384512475 /nfs/dbraw/zinc/51/24/75/384512475.db2.gz JUUBOJGREGQQOG-UWVGGRQHSA-N 1 2 229.324 -0.751 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1CCN(CCO)[C@@H](C)C1 ZINC000249556152 171244229 /nfs/dbraw/zinc/24/42/29/171244229.db2.gz JUUBOJGREGQQOG-VHSXEESVSA-N 1 2 229.324 -0.751 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000249556152 171244228 /nfs/dbraw/zinc/24/42/28/171244228.db2.gz JUUBOJGREGQQOG-VHSXEESVSA-N 1 2 229.324 -0.751 20 0 BBADLO CNC(=O)C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000249561543 388728644 /nfs/dbraw/zinc/72/86/44/388728644.db2.gz LSQRSIFAGLTPHY-HTQZYQBOSA-N 1 2 213.281 -0.682 20 0 BBADLO CNC(=O)C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000249561543 388728642 /nfs/dbraw/zinc/72/86/42/388728642.db2.gz LSQRSIFAGLTPHY-HTQZYQBOSA-N 1 2 213.281 -0.682 20 0 BBADLO CNC(=O)C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000249561544 388727955 /nfs/dbraw/zinc/72/79/55/388727955.db2.gz LSQRSIFAGLTPHY-JGVFFNPUSA-N 1 2 213.281 -0.682 20 0 BBADLO CNC(=O)C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000249561544 388727953 /nfs/dbraw/zinc/72/79/53/388727953.db2.gz LSQRSIFAGLTPHY-JGVFFNPUSA-N 1 2 213.281 -0.682 20 0 BBADLO C[C@@H]1CC[N@@H+](CC(=O)NC2CC2)[C@@H](C(N)=O)C1 ZINC000249572791 176166698 /nfs/dbraw/zinc/16/66/98/176166698.db2.gz ORPFCQDYQSWRET-PSASIEDQSA-N 1 2 239.319 -0.149 20 0 BBADLO C[C@@H]1CC[N@H+](CC(=O)NC2CC2)[C@@H](C(N)=O)C1 ZINC000249572791 176166694 /nfs/dbraw/zinc/16/66/94/176166694.db2.gz ORPFCQDYQSWRET-PSASIEDQSA-N 1 2 239.319 -0.149 20 0 BBADLO C[C@H]1CC[N@@H+](CC(=O)NC2CC2)[C@@H](C(N)=O)C1 ZINC000249572792 177159143 /nfs/dbraw/zinc/15/91/43/177159143.db2.gz ORPFCQDYQSWRET-WCBMZHEXSA-N 1 2 239.319 -0.149 20 0 BBADLO C[C@H]1CC[N@H+](CC(=O)NC2CC2)[C@@H](C(N)=O)C1 ZINC000249572792 177159142 /nfs/dbraw/zinc/15/91/42/177159142.db2.gz ORPFCQDYQSWRET-WCBMZHEXSA-N 1 2 239.319 -0.149 20 0 BBADLO C[C@H]1CC[N@@H+](CC(=O)N(C)C)[C@@H](C(N)=O)C1 ZINC000249574222 388728116 /nfs/dbraw/zinc/72/81/16/388728116.db2.gz PCVKQRRQBQEWNV-DTWKUNHWSA-N 1 2 227.308 -0.340 20 0 BBADLO C[C@H]1CC[N@H+](CC(=O)N(C)C)[C@@H](C(N)=O)C1 ZINC000249574222 388728115 /nfs/dbraw/zinc/72/81/15/388728115.db2.gz PCVKQRRQBQEWNV-DTWKUNHWSA-N 1 2 227.308 -0.340 20 0 BBADLO C[C@@H]1CC[N@@H+](CC(=O)N(C)C)[C@@H](C(N)=O)C1 ZINC000249574223 388728971 /nfs/dbraw/zinc/72/89/71/388728971.db2.gz PCVKQRRQBQEWNV-RKDXNWHRSA-N 1 2 227.308 -0.340 20 0 BBADLO C[C@@H]1CC[N@H+](CC(=O)N(C)C)[C@@H](C(N)=O)C1 ZINC000249574223 388728969 /nfs/dbraw/zinc/72/89/69/388728969.db2.gz PCVKQRRQBQEWNV-RKDXNWHRSA-N 1 2 227.308 -0.340 20 0 BBADLO CC(C)OC[C@H](O)C[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000249576116 388728101 /nfs/dbraw/zinc/72/81/01/388728101.db2.gz PNZIQDGIWGJITK-GHMZBOCLSA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)OC[C@H](O)C[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000249576116 388728099 /nfs/dbraw/zinc/72/80/99/388728099.db2.gz PNZIQDGIWGJITK-GHMZBOCLSA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)OC[C@H](O)C[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000249576117 388728320 /nfs/dbraw/zinc/72/83/20/388728320.db2.gz PNZIQDGIWGJITK-WDEREUQCSA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)OC[C@H](O)C[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000249576117 388728319 /nfs/dbraw/zinc/72/83/19/388728319.db2.gz PNZIQDGIWGJITK-WDEREUQCSA-N 1 2 244.335 -0.065 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@H+]1CCN(CCO)[C@H](C)C1 ZINC000249584097 388729686 /nfs/dbraw/zinc/72/96/86/388729686.db2.gz SGBBVZAHGWCGLO-GHMZBOCLSA-N 1 2 243.351 -0.539 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000249584097 388729682 /nfs/dbraw/zinc/72/96/82/388729682.db2.gz SGBBVZAHGWCGLO-GHMZBOCLSA-N 1 2 243.351 -0.539 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@H+]1CCN(CCO)[C@@H](C)C1 ZINC000249584098 388729601 /nfs/dbraw/zinc/72/96/01/388729601.db2.gz SGBBVZAHGWCGLO-WDEREUQCSA-N 1 2 243.351 -0.539 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000249584098 388729598 /nfs/dbraw/zinc/72/95/98/388729598.db2.gz SGBBVZAHGWCGLO-WDEREUQCSA-N 1 2 243.351 -0.539 20 0 BBADLO CCNC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000249592786 388730167 /nfs/dbraw/zinc/73/01/67/388730167.db2.gz VXWJUYRXLCNUKE-BDAKNGLRSA-N 1 2 227.308 -0.292 20 0 BBADLO CCNC(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000249592786 388730163 /nfs/dbraw/zinc/73/01/63/388730163.db2.gz VXWJUYRXLCNUKE-BDAKNGLRSA-N 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/nfs/dbraw/zinc/08/21/44/135082144.db2.gz ZTJZTVSVMAQCOT-ZJUUUORDSA-N 1 2 230.308 -0.190 20 0 BBADLO COC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H](C)O1 ZINC000252060299 135082142 /nfs/dbraw/zinc/08/21/42/135082142.db2.gz ZTJZTVSVMAQCOT-ZJUUUORDSA-N 1 2 230.308 -0.190 20 0 BBADLO COC(=O)[C@@H]1CC[N@H+]([C@H]2CCOC2=O)C1 ZINC000252673163 364901110 /nfs/dbraw/zinc/90/11/10/364901110.db2.gz GYNFFGNLDPYRBP-SFYZADRCSA-N 1 2 213.233 -0.203 20 0 BBADLO COC(=O)[C@@H]1CC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000252673163 364901103 /nfs/dbraw/zinc/90/11/03/364901103.db2.gz GYNFFGNLDPYRBP-SFYZADRCSA-N 1 2 213.233 -0.203 20 0 BBADLO COC(=O)[C@H]1CC[N@H+]([C@H]2CCOC2=O)C1 ZINC000252673164 364900502 /nfs/dbraw/zinc/90/05/02/364900502.db2.gz GYNFFGNLDPYRBP-YUMQZZPRSA-N 1 2 213.233 -0.203 20 0 BBADLO COC(=O)[C@H]1CC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000252673164 364900499 /nfs/dbraw/zinc/90/04/99/364900499.db2.gz GYNFFGNLDPYRBP-YUMQZZPRSA-N 1 2 213.233 -0.203 20 0 BBADLO C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C 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DOUPJCQIKKTMMY-LDYMZIIASA-N 1 2 229.276 -0.179 20 0 BBADLO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000253296880 388588933 /nfs/dbraw/zinc/58/89/33/388588933.db2.gz YCVVCSRKHRZLMA-DTWKUNHWSA-N 1 2 246.332 -0.616 20 0 BBADLO C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000253296880 388588932 /nfs/dbraw/zinc/58/89/32/388588932.db2.gz YCVVCSRKHRZLMA-DTWKUNHWSA-N 1 2 246.332 -0.616 20 0 BBADLO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000253296881 388589029 /nfs/dbraw/zinc/58/90/29/388589029.db2.gz YCVVCSRKHRZLMA-IUCAKERBSA-N 1 2 246.332 -0.616 20 0 BBADLO C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000253296881 388589026 /nfs/dbraw/zinc/58/90/26/388589026.db2.gz YCVVCSRKHRZLMA-IUCAKERBSA-N 1 2 246.332 -0.616 20 0 BBADLO C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCOC2)C1 ZINC000253359780 536435949 /nfs/dbraw/zinc/43/59/49/536435949.db2.gz NDDZFRUFUKDPQU-UWVGGRQHSA-N 1 2 228.292 -0.530 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCOC2)C1 ZINC000253359780 536435945 /nfs/dbraw/zinc/43/59/45/536435945.db2.gz NDDZFRUFUKDPQU-UWVGGRQHSA-N 1 2 228.292 -0.530 20 0 BBADLO C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCOC2)C1 ZINC000253359781 368937228 /nfs/dbraw/zinc/93/72/28/368937228.db2.gz NDDZFRUFUKDPQU-VHSXEESVSA-N 1 2 228.292 -0.530 20 0 BBADLO C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCOC2)C1 ZINC000253359781 368937221 /nfs/dbraw/zinc/93/72/21/368937221.db2.gz NDDZFRUFUKDPQU-VHSXEESVSA-N 1 2 228.292 -0.530 20 0 BBADLO C[C@H]1C[N@@H+](CC(=O)N2CCOCC2)[C@@H](C)CO1 ZINC000253601846 135127809 /nfs/dbraw/zinc/12/78/09/135127809.db2.gz XKYJOKUUKTZKSG-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@H]1C[N@H+](CC(=O)N2CCOCC2)[C@@H](C)CO1 ZINC000253601846 135127807 /nfs/dbraw/zinc/12/78/07/135127807.db2.gz XKYJOKUUKTZKSG-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)[C@@H](C)CO1 ZINC000253601848 135127821 /nfs/dbraw/zinc/12/78/21/135127821.db2.gz XKYJOKUUKTZKSG-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)[C@@H](C)CO1 ZINC000253601848 135127820 /nfs/dbraw/zinc/12/78/20/135127820.db2.gz XKYJOKUUKTZKSG-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO Cc1ncc(NC(=O)[C@H]2COCC[NH2+]2)cn1 ZINC000257687077 180170873 /nfs/dbraw/zinc/17/08/73/180170873.db2.gz KZLWBVSRHHFNCP-SECBINFHSA-N 1 2 222.248 -0.288 20 0 BBADLO Cc1ncc(NC(=O)[C@@H]2COCC[NH2+]2)cn1 ZINC000257687079 180169215 /nfs/dbraw/zinc/16/92/15/180169215.db2.gz KZLWBVSRHHFNCP-VIFPVBQESA-N 1 2 222.248 -0.288 20 0 BBADLO COc1ccccc1[C@H]([NH3+])C(=O)NCC(N)=O ZINC000257704393 384930864 /nfs/dbraw/zinc/93/08/64/384930864.db2.gz PMIOEHUFCXIEBM-JTQLQIEISA-N 1 2 237.259 -0.704 20 0 BBADLO COc1ccccc1[C@@H]([NH3+])C(=O)NCC(N)=O ZINC000257704394 384931820 /nfs/dbraw/zinc/93/18/20/384931820.db2.gz PMIOEHUFCXIEBM-SNVBAGLBSA-N 1 2 237.259 -0.704 20 0 BBADLO C[N@H+]1CCN(CCC(C)(C)O)[C@H](CO)C1 ZINC000257729771 385492042 /nfs/dbraw/zinc/49/20/42/385492042.db2.gz FXVUUDZKEPALIK-JTQLQIEISA-N 1 2 216.325 -0.244 20 0 BBADLO C[N@@H+]1CCN(CCC(C)(C)O)[C@H](CO)C1 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386274679 /nfs/dbraw/zinc/27/46/79/386274679.db2.gz LDBHMXYBFNVZFC-UHFFFAOYSA-N 1 2 224.264 -0.074 20 0 BBADLO CC(=O)NCCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264875298 386277914 /nfs/dbraw/zinc/27/79/14/386277914.db2.gz RWMHJYGIOTUQTN-UHFFFAOYSA-N 1 2 224.264 -0.026 20 0 BBADLO Cc1[nH]c(C(=O)NCC(=O)N(C)C)c[nH+]1 ZINC000264875405 386278602 /nfs/dbraw/zinc/27/86/02/386278602.db2.gz RYIZVUIQAGBZFF-UHFFFAOYSA-N 1 2 210.237 -0.464 20 0 BBADLO Cc1[nH]c(C(=O)N[C@@H]2CC(=O)N(C)C2)c[nH+]1 ZINC000264885901 386281073 /nfs/dbraw/zinc/28/10/73/386281073.db2.gz UJVPOSVITMFSRZ-SSDOTTSWSA-N 1 2 222.248 -0.321 20 0 BBADLO Cc1[nH]c(C(=O)N[C@H]2CC(=O)N(C)C2)c[nH+]1 ZINC000264885903 386280728 /nfs/dbraw/zinc/28/07/28/386280728.db2.gz UJVPOSVITMFSRZ-ZETCQYMHSA-N 1 2 222.248 -0.321 20 0 BBADLO Cc1[nH]c(C(=O)NCCNC(=O)C2CC2)c[nH+]1 ZINC000264887304 386281029 /nfs/dbraw/zinc/28/10/29/386281029.db2.gz UPWNFLJDFJNDMH-UHFFFAOYSA-N 1 2 236.275 -0.026 20 0 BBADLO Cc1ncc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)[nH]1 ZINC000264887313 387124476 /nfs/dbraw/zinc/12/44/76/387124476.db2.gz UQJNPSFQQHCIJU-SECBINFHSA-N 1 2 238.291 -0.221 20 0 BBADLO Cc1ncc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)[nH]1 ZINC000264887313 387124472 /nfs/dbraw/zinc/12/44/72/387124472.db2.gz UQJNPSFQQHCIJU-SECBINFHSA-N 1 2 238.291 -0.221 20 0 BBADLO Cc1ncc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)[nH]1 ZINC000264887314 387124406 /nfs/dbraw/zinc/12/44/06/387124406.db2.gz UQJNPSFQQHCIJU-VIFPVBQESA-N 1 2 238.291 -0.221 20 0 BBADLO Cc1ncc(C(=O)NC[C@H]2C[N@H+](C)CCO2)[nH]1 ZINC000264887314 387124401 /nfs/dbraw/zinc/12/44/01/387124401.db2.gz UQJNPSFQQHCIJU-VIFPVBQESA-N 1 2 238.291 -0.221 20 0 BBADLO CCNC(=O)[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000264910247 170093905 /nfs/dbraw/zinc/09/39/05/170093905.db2.gz ZCWKKWKWEOJZJC-LURJTMIESA-N 1 2 224.264 -0.027 20 0 BBADLO CCNC(=O)[C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000264910248 170087003 /nfs/dbraw/zinc/08/70/03/170087003.db2.gz ZCWKKWKWEOJZJC-ZCFIWIBFSA-N 1 2 224.264 -0.027 20 0 BBADLO CCS(=O)(=O)CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264950681 386285987 /nfs/dbraw/zinc/28/59/87/386285987.db2.gz ULXWXXJQQXBDAW-UHFFFAOYSA-N 1 2 245.304 -0.117 20 0 BBADLO CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000265037229 173285340 /nfs/dbraw/zinc/28/53/40/173285340.db2.gz RFTRDMZUTYJUDF-UHFFFAOYSA-N 1 2 223.280 -0.133 20 0 BBADLO CN(C)c1[nH+]cc(CNC(=O)c2cnn[nH]2)n1C ZINC000265132122 386309244 /nfs/dbraw/zinc/30/92/44/386309244.db2.gz RTBOFJYBPCNUJS-UHFFFAOYSA-N 1 2 249.278 -0.466 20 0 BBADLO CN(C)c1[nH+]cc(CNC(=O)c2cn[nH]n2)n1C ZINC000265132122 386309240 /nfs/dbraw/zinc/30/92/40/386309240.db2.gz RTBOFJYBPCNUJS-UHFFFAOYSA-N 1 2 249.278 -0.466 20 0 BBADLO COCC[N@@H+](CCn1cncn1)CC(=O)OC ZINC000265186220 174297702 /nfs/dbraw/zinc/29/77/02/174297702.db2.gz XRFJUNOCYDIXCQ-UHFFFAOYSA-N 1 2 242.279 -0.601 20 0 BBADLO COCC[N@H+](CCn1cncn1)CC(=O)OC ZINC000265186220 174297700 /nfs/dbraw/zinc/29/77/00/174297700.db2.gz XRFJUNOCYDIXCQ-UHFFFAOYSA-N 1 2 242.279 -0.601 20 0 BBADLO COC(=O)[C@H]1CCC[N@H+]1CCn1cncn1 ZINC000265193263 386650907 /nfs/dbraw/zinc/65/09/07/386650907.db2.gz IRDFDWLNXJOLGK-SECBINFHSA-N 1 2 224.264 -0.085 20 0 BBADLO COC(=O)[C@H]1CCC[N@@H+]1CCn1cncn1 ZINC000265193263 386650902 /nfs/dbraw/zinc/65/09/02/386650902.db2.gz IRDFDWLNXJOLGK-SECBINFHSA-N 1 2 224.264 -0.085 20 0 BBADLO COC(=O)[C@@H]1CCC[N@H+]1CCn1cncn1 ZINC000265193264 386652677 /nfs/dbraw/zinc/65/26/77/386652677.db2.gz IRDFDWLNXJOLGK-VIFPVBQESA-N 1 2 224.264 -0.085 20 0 BBADLO COC(=O)[C@@H]1CCC[N@@H+]1CCn1cncn1 ZINC000265193264 386652673 /nfs/dbraw/zinc/65/26/73/386652673.db2.gz IRDFDWLNXJOLGK-VIFPVBQESA-N 1 2 224.264 -0.085 20 0 BBADLO COC(=O)C(C)(C)[NH2+]CCC(=O)NC(N)=O ZINC000265394876 388993101 /nfs/dbraw/zinc/99/31/01/388993101.db2.gz OHZNJBTYFMQUID-UHFFFAOYSA-N 1 2 231.252 -0.887 20 0 BBADLO CNC(=O)NC(=O)CC[NH2+]C(C)(C)C(=O)OC ZINC000265416678 173286605 /nfs/dbraw/zinc/28/66/05/173286605.db2.gz WBHDIXDKEFKZCI-UHFFFAOYSA-N 1 2 245.279 -0.627 20 0 BBADLO OC1CN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000265467865 132182399 /nfs/dbraw/zinc/18/23/99/132182399.db2.gz YZMPVAJDQDECMI-UHFFFAOYSA-N 1 2 236.275 -0.506 20 0 BBADLO OC1CN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000265467865 132182396 /nfs/dbraw/zinc/18/23/96/132182396.db2.gz YZMPVAJDQDECMI-UHFFFAOYSA-N 1 2 236.275 -0.506 20 0 BBADLO CNC(=O)C[NH+]1CCN(c2nccc(C)n2)CC1 ZINC000265499167 132181865 /nfs/dbraw/zinc/18/18/65/132181865.db2.gz HQSMVWWHDSXKRI-UHFFFAOYSA-N 1 2 249.318 -0.347 20 0 BBADLO COCC[NH+]1CCN(C(=O)c2cnc[nH]2)CC1 ZINC000265575799 174309106 /nfs/dbraw/zinc/30/91/06/174309106.db2.gz FLKHTMZUCWUHCZ-UHFFFAOYSA-N 1 2 238.291 -0.186 20 0 BBADLO COCC[NH+]1CCN(C(=O)c2c[nH]cn2)CC1 ZINC000265575799 174309105 /nfs/dbraw/zinc/30/91/05/174309105.db2.gz FLKHTMZUCWUHCZ-UHFFFAOYSA-N 1 2 238.291 -0.186 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCn1cncn1 ZINC000265630517 351272692 /nfs/dbraw/zinc/27/26/92/351272692.db2.gz FHDNNTNEXWNEJJ-SECBINFHSA-N 1 2 223.280 -0.512 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@H+]1CCn1cncn1 ZINC000265630517 351272682 /nfs/dbraw/zinc/27/26/82/351272682.db2.gz FHDNNTNEXWNEJJ-SECBINFHSA-N 1 2 223.280 -0.512 20 0 BBADLO CC[C@H]1C(=O)NCC[N@@H+]1CCn1cncn1 ZINC000265630519 386354810 /nfs/dbraw/zinc/35/48/10/386354810.db2.gz FHDNNTNEXWNEJJ-VIFPVBQESA-N 1 2 223.280 -0.512 20 0 BBADLO CC[C@H]1C(=O)NCC[N@H+]1CCn1cncn1 ZINC000265630519 386354807 /nfs/dbraw/zinc/35/48/07/386354807.db2.gz FHDNNTNEXWNEJJ-VIFPVBQESA-N 1 2 223.280 -0.512 20 0 BBADLO NC(=O)CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000265813380 132183051 /nfs/dbraw/zinc/18/30/51/132183051.db2.gz MUADOEUNNHCLFM-UHFFFAOYSA-N 1 2 248.286 -0.394 20 0 BBADLO Cc1[nH]c(C(=O)N[C@@H]2CCN(C)C2=O)c[nH+]1 ZINC000265822680 179887624 /nfs/dbraw/zinc/88/76/24/179887624.db2.gz SCAUMEWNUBRSLX-SSDOTTSWSA-N 1 2 222.248 -0.321 20 0 BBADLO Cc1[nH]c(C(=O)N[C@H]2CCN(C)C2=O)c[nH+]1 ZINC000265822682 179889222 /nfs/dbraw/zinc/88/92/22/179889222.db2.gz SCAUMEWNUBRSLX-ZETCQYMHSA-N 1 2 222.248 -0.321 20 0 BBADLO CN1CCN(C(=O)CCn2cc[nH+]c2)CC1=O ZINC000265851078 173066586 /nfs/dbraw/zinc/06/65/86/173066586.db2.gz FYLQFCBJQSXYRK-UHFFFAOYSA-N 1 2 236.275 -0.426 20 0 BBADLO C[C@H](CNC(=O)Cn1cnnn1)Cn1cc[nH+]c1 ZINC000265852487 386378914 /nfs/dbraw/zinc/37/89/14/386378914.db2.gz UYXAZGJJAQQACG-SECBINFHSA-N 1 2 249.278 -0.678 20 0 BBADLO C[C@@H](CNC(=O)Cn1cnnn1)Cn1cc[nH+]c1 ZINC000265852488 386380031 /nfs/dbraw/zinc/38/00/31/386380031.db2.gz UYXAZGJJAQQACG-VIFPVBQESA-N 1 2 249.278 -0.678 20 0 BBADLO CN1CC[N@@H+](CCn2cncn2)CC1=O ZINC000265877872 173082222 /nfs/dbraw/zinc/08/22/22/173082222.db2.gz XKVDIFOTLNIJFU-UHFFFAOYSA-N 1 2 209.253 -0.948 20 0 BBADLO CN1CC[N@H+](CCn2cncn2)CC1=O ZINC000265877872 173082220 /nfs/dbraw/zinc/08/22/20/173082220.db2.gz XKVDIFOTLNIJFU-UHFFFAOYSA-N 1 2 209.253 -0.948 20 0 BBADLO Cn1cc(CC[N@H+]2CCN(C)C(=O)C2)cn1 ZINC000265905250 173083027 /nfs/dbraw/zinc/08/30/27/173083027.db2.gz WIQDSTRLZMSBSR-UHFFFAOYSA-N 1 2 222.292 -0.263 20 0 BBADLO Cn1cc(CC[N@@H+]2CCN(C)C(=O)C2)cn1 ZINC000265905250 173083024 /nfs/dbraw/zinc/08/30/24/173083024.db2.gz WIQDSTRLZMSBSR-UHFFFAOYSA-N 1 2 222.292 -0.263 20 0 BBADLO Cc1c(C(=O)N2CC[NH+](C)CC2)nnn1C ZINC000266091770 386397353 /nfs/dbraw/zinc/39/73/53/386397353.db2.gz QOPMBPLVQNKARV-UHFFFAOYSA-N 1 2 223.280 -0.489 20 0 BBADLO CC[N@@H+](CCOC)Cc1nc(N)nc(N)n1 ZINC000266621920 387405154 /nfs/dbraw/zinc/40/51/54/387405154.db2.gz FZZFPKCBCPQORA-UHFFFAOYSA-N 1 2 226.284 -0.496 20 0 BBADLO CC[N@H+](CCOC)Cc1nc(N)nc(N)n1 ZINC000266621920 387405147 /nfs/dbraw/zinc/40/51/47/387405147.db2.gz FZZFPKCBCPQORA-UHFFFAOYSA-N 1 2 226.284 -0.496 20 0 BBADLO CN(C)c1[nH+]cccc1NC(=O)CC(N)=O ZINC000266798465 386471006 /nfs/dbraw/zinc/47/10/06/386471006.db2.gz COQZHAGZTUGUBY-UHFFFAOYSA-N 1 2 222.248 -0.039 20 0 BBADLO NC(=O)CC(=O)NCCCNc1cccc[nH+]1 ZINC000266811977 181217789 /nfs/dbraw/zinc/21/77/89/181217789.db2.gz CRWPBPXCIROASL-UHFFFAOYSA-N 1 2 236.275 -0.125 20 0 BBADLO CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCN(C)C1=O ZINC000266824839 173117106 /nfs/dbraw/zinc/11/71/06/173117106.db2.gz GNSMDJAZWYZXHJ-SECBINFHSA-N 1 2 236.275 -0.428 20 0 BBADLO CN(C(=O)Cn1cc[nH+]c1)[C@H]1CCN(C)C1=O ZINC000266824842 173146263 /nfs/dbraw/zinc/14/62/63/173146263.db2.gz GNSMDJAZWYZXHJ-VIFPVBQESA-N 1 2 236.275 -0.428 20 0 BBADLO O=C(NCCn1cc[nH+]c1)[C@H]1CSC(=O)N1 ZINC000266854608 386475201 /nfs/dbraw/zinc/47/52/01/386475201.db2.gz SHAWJDMELMUKHH-SSDOTTSWSA-N 1 2 240.288 -0.176 20 0 BBADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CSC(=O)N1 ZINC000266854609 386475228 /nfs/dbraw/zinc/47/52/28/386475228.db2.gz SHAWJDMELMUKHH-ZETCQYMHSA-N 1 2 240.288 -0.176 20 0 BBADLO Cc1[nH+]c[nH]c1CNC(=O)C1=NN(C)C(=O)CC1 ZINC000266969635 388998724 /nfs/dbraw/zinc/99/87/24/388998724.db2.gz LEWWMSSWJAOGSZ-UHFFFAOYSA-N 1 2 249.274 -0.057 20 0 BBADLO Cc1c[nH+]c(N2CC(O)C2)nc1N1CC(O)C1 ZINC000267054788 386487759 /nfs/dbraw/zinc/48/77/59/386487759.db2.gz AJKHESBAZCJBKT-UHFFFAOYSA-N 1 2 236.275 -0.853 20 0 BBADLO Cc1nc(N(CCO)CCCO)cc[nH+]1 ZINC000267091622 188088001 /nfs/dbraw/zinc/08/80/01/188088001.db2.gz UTBQSJQQHAJLGT-UHFFFAOYSA-N 1 2 211.265 -0.034 20 0 BBADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC000267272770 388999967 /nfs/dbraw/zinc/99/99/67/388999967.db2.gz VTCHPPKQVTYXDB-MRVPVSSYSA-N 1 2 236.275 -0.187 20 0 BBADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC000267272772 388999282 /nfs/dbraw/zinc/99/92/82/388999282.db2.gz VTCHPPKQVTYXDB-QMMMGPOBSA-N 1 2 236.275 -0.187 20 0 BBADLO CC(C)(C(N)=O)[NH+]1CCN(c2cnccn2)CC1 ZINC000267526497 534396044 /nfs/dbraw/zinc/39/60/44/534396044.db2.gz SNTCYBHBVGRITQ-UHFFFAOYSA-N 1 2 249.318 -0.138 20 0 BBADLO CC(C)(C(N)=O)[NH+]1CCN(c2ncccn2)CC1 ZINC000267532257 534394878 /nfs/dbraw/zinc/39/48/78/534394878.db2.gz WHFZKSZLJFNPSY-UHFFFAOYSA-N 1 2 249.318 -0.138 20 0 BBADLO CNS(=O)(=O)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000267565814 386553262 /nfs/dbraw/zinc/55/32/62/386553262.db2.gz GKIJCINCSOTFLO-UHFFFAOYSA-N 1 2 243.288 -0.122 20 0 BBADLO CNS(=O)(=O)CC(=O)Nc1cc[nH+]cc1C ZINC000267696721 397949077 /nfs/dbraw/zinc/94/90/77/397949077.db2.gz ZAAMSYBGADHBII-UHFFFAOYSA-N 1 2 243.288 -0.122 20 0 BBADLO COC(=O)C[N@@H+](CCC(=O)NC(N)=O)C1CC1 ZINC000267736093 386579335 /nfs/dbraw/zinc/57/93/35/386579335.db2.gz QGHXRZUGBWPIRF-UHFFFAOYSA-N 1 2 243.263 -0.791 20 0 BBADLO COC(=O)C[N@H+](CCC(=O)NC(N)=O)C1CC1 ZINC000267736093 386579331 /nfs/dbraw/zinc/57/93/31/386579331.db2.gz QGHXRZUGBWPIRF-UHFFFAOYSA-N 1 2 243.263 -0.791 20 0 BBADLO COC(=O)[C@]1(F)CC[N@@H+](CCn2cncn2)C1 ZINC000267829666 386590477 /nfs/dbraw/zinc/59/04/77/386590477.db2.gz QPMFUKXDVRKZTN-JTQLQIEISA-N 1 2 242.254 -0.135 20 0 BBADLO COC(=O)[C@]1(F)CC[N@H+](CCn2cncn2)C1 ZINC000267829666 386590471 /nfs/dbraw/zinc/59/04/71/386590471.db2.gz QPMFUKXDVRKZTN-JTQLQIEISA-N 1 2 242.254 -0.135 20 0 BBADLO COC(=O)[C@@]1(F)CC[N@@H+](CCn2cncn2)C1 ZINC000267829667 386589017 /nfs/dbraw/zinc/58/90/17/386589017.db2.gz QPMFUKXDVRKZTN-SNVBAGLBSA-N 1 2 242.254 -0.135 20 0 BBADLO COC(=O)[C@@]1(F)CC[N@H+](CCn2cncn2)C1 ZINC000267829667 386589014 /nfs/dbraw/zinc/58/90/14/386589014.db2.gz QPMFUKXDVRKZTN-SNVBAGLBSA-N 1 2 242.254 -0.135 20 0 BBADLO CNC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC000267851716 173285652 /nfs/dbraw/zinc/28/56/52/173285652.db2.gz QGLVCHUAVJIVIB-UHFFFAOYSA-N 1 2 237.307 -0.160 20 0 BBADLO CNC(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC000267854277 173285461 /nfs/dbraw/zinc/28/54/61/173285461.db2.gz QTXGNRBIEXYERR-UHFFFAOYSA-N 1 2 237.307 -0.123 20 0 BBADLO COC(=O)C[N@@H+](CCn1cncn1)C1CC1 ZINC000267854573 386592050 /nfs/dbraw/zinc/59/20/50/386592050.db2.gz XBTPONXDUANZBM-UHFFFAOYSA-N 1 2 224.264 -0.085 20 0 BBADLO COC(=O)C[N@H+](CCn1cncn1)C1CC1 ZINC000267854573 386592045 /nfs/dbraw/zinc/59/20/45/386592045.db2.gz XBTPONXDUANZBM-UHFFFAOYSA-N 1 2 224.264 -0.085 20 0 BBADLO Cc1nonc1C(=O)N1CC[NH+](CCO)CC1 ZINC000267930388 386602095 /nfs/dbraw/zinc/60/20/95/386602095.db2.gz DQRPMQNJEUQAJI-UHFFFAOYSA-N 1 2 240.263 -0.872 20 0 BBADLO Cc1ocnc1C(=O)N1CC[NH+](CCO)CC1 ZINC000268005538 383966528 /nfs/dbraw/zinc/96/65/28/383966528.db2.gz XKDQXVKRDZBURQ-UHFFFAOYSA-N 1 2 239.275 -0.267 20 0 BBADLO CN1CC[N@@H+](CCn2cncn2)C(C)(C)C1=O ZINC000268030808 173081611 /nfs/dbraw/zinc/08/16/11/173081611.db2.gz MGYUDMPPZYOIEX-UHFFFAOYSA-N 1 2 237.307 -0.169 20 0 BBADLO CN1CC[N@H+](CCn2cncn2)C(C)(C)C1=O ZINC000268030808 173081609 /nfs/dbraw/zinc/08/16/09/173081609.db2.gz MGYUDMPPZYOIEX-UHFFFAOYSA-N 1 2 237.307 -0.169 20 0 BBADLO O=C(CNc1cc[nH+]c(C2CC2)n1)NCCO ZINC000268283650 181982668 /nfs/dbraw/zinc/98/26/68/181982668.db2.gz BZDLAMIDZCSMQM-UHFFFAOYSA-N 1 2 236.275 -0.126 20 0 BBADLO Cc1nc(NCC(=O)NCCO)cc[nH+]1 ZINC000268314150 180199396 /nfs/dbraw/zinc/19/93/96/180199396.db2.gz KVBJCEHVQDHFMN-UHFFFAOYSA-N 1 2 210.237 -0.695 20 0 BBADLO CC(C)[C@H](C(=O)Nc1nn[nH]n1)[NH+](C)C ZINC000268471500 188374359 /nfs/dbraw/zinc/37/43/59/188374359.db2.gz HLELCQVJUQHXGR-ZCFIWIBFSA-N 1 2 212.257 -0.276 20 0 BBADLO CCNS(=O)(=O)NCCNc1cccc[nH+]1 ZINC000268510301 170134800 /nfs/dbraw/zinc/13/48/00/170134800.db2.gz QZSDNJNCTNBOCO-UHFFFAOYSA-N 1 2 244.320 -0.063 20 0 BBADLO CN(C)C(=O)C[N@@H+](CCO)Cc1cccnc1 ZINC000268684404 172364158 /nfs/dbraw/zinc/36/41/58/172364158.db2.gz NETKOLGIJKXURT-UHFFFAOYSA-N 1 2 237.303 -0.036 20 0 BBADLO CN(C)C(=O)C[N@H+](CCO)Cc1cccnc1 ZINC000268684404 172364152 /nfs/dbraw/zinc/36/41/52/172364152.db2.gz NETKOLGIJKXURT-UHFFFAOYSA-N 1 2 237.303 -0.036 20 0 BBADLO Cc1c(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)cnn1C ZINC000268885418 386714126 /nfs/dbraw/zinc/71/41/26/386714126.db2.gz BPOULXFDEYGWCR-LLVKDONJSA-N 1 2 249.318 -0.062 20 0 BBADLO Cc1c(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)cnn1C ZINC000268885418 386714120 /nfs/dbraw/zinc/71/41/20/386714120.db2.gz BPOULXFDEYGWCR-LLVKDONJSA-N 1 2 249.318 -0.062 20 0 BBADLO Cc1c(C[N@H+]2CCN3C(=O)NC[C@H]3C2)cnn1C ZINC000268885420 386712248 /nfs/dbraw/zinc/71/22/48/386712248.db2.gz BPOULXFDEYGWCR-NSHDSACASA-N 1 2 249.318 -0.062 20 0 BBADLO Cc1c(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)cnn1C ZINC000268885420 386712238 /nfs/dbraw/zinc/71/22/38/386712238.db2.gz BPOULXFDEYGWCR-NSHDSACASA-N 1 2 249.318 -0.062 20 0 BBADLO OCCNc1nc(NCCO)c(Cl)c[nH+]1 ZINC000269275687 183080172 /nfs/dbraw/zinc/08/01/72/183080172.db2.gz IOSSNOJHJHBTPP-UHFFFAOYSA-N 1 2 232.671 -0.062 20 0 BBADLO Cc1c[nH+]c(N(C)CCO)nc1N(C)CCO ZINC000269302148 386776597 /nfs/dbraw/zinc/77/65/97/386776597.db2.gz UUQJZMHXOHQDHR-UHFFFAOYSA-N 1 2 240.307 -0.358 20 0 BBADLO COC(=O)N1CC(NC(=O)c2c[nH+]c(C)[nH]2)C1 ZINC000269324756 386779561 /nfs/dbraw/zinc/77/95/61/386779561.db2.gz GKCNIAKMSDFTPZ-UHFFFAOYSA-N 1 2 238.247 -0.101 20 0 BBADLO Cc1[nH+]ccn1CCNC(=O)c1nc[nH]n1 ZINC000269442922 180257530 /nfs/dbraw/zinc/25/75/30/180257530.db2.gz NHTHEGFGRDXGCV-UHFFFAOYSA-N 1 2 220.236 -0.260 20 0 BBADLO Cc1[nH+]ccn1CCNC(=O)c1ncn[nH]1 ZINC000269442922 180257528 /nfs/dbraw/zinc/25/75/28/180257528.db2.gz NHTHEGFGRDXGCV-UHFFFAOYSA-N 1 2 220.236 -0.260 20 0 BBADLO Cc1[nH+]ccn1CCNC(=O)c1nnc[nH]1 ZINC000269442922 180257525 /nfs/dbraw/zinc/25/75/25/180257525.db2.gz NHTHEGFGRDXGCV-UHFFFAOYSA-N 1 2 220.236 -0.260 20 0 BBADLO C[NH+]1CCN(C(=O)c2ccc(C(N)=O)o2)CC1 ZINC000269455485 173071515 /nfs/dbraw/zinc/07/15/15/173071515.db2.gz DVYVSXPBZVGASC-UHFFFAOYSA-N 1 2 237.259 -0.234 20 0 BBADLO C[C@H](C(=O)NCC(F)(F)F)[N@@H+](C)CC(N)=O ZINC000269461257 386796665 /nfs/dbraw/zinc/79/66/65/386796665.db2.gz HVNRMNODDUADEA-RXMQYKEDSA-N 1 2 241.213 -0.530 20 0 BBADLO C[C@H](C(=O)NCC(F)(F)F)[N@H+](C)CC(N)=O ZINC000269461257 386796659 /nfs/dbraw/zinc/79/66/59/386796659.db2.gz HVNRMNODDUADEA-RXMQYKEDSA-N 1 2 241.213 -0.530 20 0 BBADLO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+](C)CC(N)=O ZINC000269461262 386795090 /nfs/dbraw/zinc/79/50/90/386795090.db2.gz HVNRMNODDUADEA-YFKPBYRVSA-N 1 2 241.213 -0.530 20 0 BBADLO C[C@@H](C(=O)NCC(F)(F)F)[N@H+](C)CC(N)=O ZINC000269461262 386795087 /nfs/dbraw/zinc/79/50/87/386795087.db2.gz HVNRMNODDUADEA-YFKPBYRVSA-N 1 2 241.213 -0.530 20 0 BBADLO CN(C)c1[nH+]cc(CNC(=O)c2nc[nH]n2)n1C ZINC000269484416 386798296 /nfs/dbraw/zinc/79/82/96/386798296.db2.gz BMNRLNNQKOJXHQ-UHFFFAOYSA-N 1 2 249.278 -0.466 20 0 BBADLO CN(C)c1[nH+]cc(CNC(=O)c2ncn[nH]2)n1C ZINC000269484416 386798294 /nfs/dbraw/zinc/79/82/94/386798294.db2.gz BMNRLNNQKOJXHQ-UHFFFAOYSA-N 1 2 249.278 -0.466 20 0 BBADLO CN(C)c1[nH+]cc(CNC(=O)c2nnc[nH]2)n1C ZINC000269484416 386798288 /nfs/dbraw/zinc/79/82/88/386798288.db2.gz BMNRLNNQKOJXHQ-UHFFFAOYSA-N 1 2 249.278 -0.466 20 0 BBADLO COc1ccnc(NC[C@H]2C[NH+]3CCN2CC3)n1 ZINC000269505548 175366222 /nfs/dbraw/zinc/36/62/22/175366222.db2.gz REPBDTOUPRYPND-JTQLQIEISA-N 1 2 249.318 -0.103 20 0 BBADLO COc1ccnc(NC[C@@H]2C[NH+]3CCN2CC3)n1 ZINC000269505551 175365899 /nfs/dbraw/zinc/36/58/99/175365899.db2.gz REPBDTOUPRYPND-SNVBAGLBSA-N 1 2 249.318 -0.103 20 0 BBADLO O=C(Cc1ccco1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000269532920 538920630 /nfs/dbraw/zinc/92/06/30/538920630.db2.gz HUUJEIKLVOLNDM-LLVKDONJSA-N 1 2 249.314 -0.062 20 0 BBADLO O=C(Cc1ccco1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000269532923 538920599 /nfs/dbraw/zinc/92/05/99/538920599.db2.gz HUUJEIKLVOLNDM-NSHDSACASA-N 1 2 249.314 -0.062 20 0 BBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cocn1 ZINC000269533290 182227679 /nfs/dbraw/zinc/22/76/79/182227679.db2.gz RXBOXMVXCBYVQJ-SECBINFHSA-N 1 2 236.275 -0.596 20 0 BBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cocn1 ZINC000269533292 182245395 /nfs/dbraw/zinc/24/53/95/182245395.db2.gz RXBOXMVXCBYVQJ-VIFPVBQESA-N 1 2 236.275 -0.596 20 0 BBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cnc[nH]1 ZINC000269543808 182227558 /nfs/dbraw/zinc/22/75/58/182227558.db2.gz YLINSQNPYYUOPC-SECBINFHSA-N 1 2 235.291 -0.861 20 0 BBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cnc[nH]1 ZINC000269543812 182245464 /nfs/dbraw/zinc/24/54/64/182245464.db2.gz YLINSQNPYYUOPC-VIFPVBQESA-N 1 2 235.291 -0.861 20 0 BBADLO COCC[N@H+]1CC[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC000269559889 174313635 /nfs/dbraw/zinc/31/36/35/174313635.db2.gz QLTVGKRODDPJGU-MRVPVSSYSA-N 1 2 239.279 -0.745 20 0 BBADLO COCC[N@@H+]1CC[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC000269559889 174313634 /nfs/dbraw/zinc/31/36/34/174313634.db2.gz QLTVGKRODDPJGU-MRVPVSSYSA-N 1 2 239.279 -0.745 20 0 BBADLO COCC[N@H+]1CC[C@H](NC(=O)c2nc[nH]n2)C1 ZINC000269559891 174314150 /nfs/dbraw/zinc/31/41/50/174314150.db2.gz QLTVGKRODDPJGU-QMMMGPOBSA-N 1 2 239.279 -0.745 20 0 BBADLO COCC[N@@H+]1CC[C@H](NC(=O)c2nc[nH]n2)C1 ZINC000269559891 174314148 /nfs/dbraw/zinc/31/41/48/174314148.db2.gz QLTVGKRODDPJGU-QMMMGPOBSA-N 1 2 239.279 -0.745 20 0 BBADLO Cc1ncc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)[nH]1 ZINC000269581150 385608969 /nfs/dbraw/zinc/60/89/69/385608969.db2.gz FLYWEMFLIIFXGW-JTQLQIEISA-N 1 2 249.318 -0.552 20 0 BBADLO Cc1ncc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)[nH]1 ZINC000269581153 385610813 /nfs/dbraw/zinc/61/08/13/385610813.db2.gz FLYWEMFLIIFXGW-SNVBAGLBSA-N 1 2 249.318 -0.552 20 0 BBADLO C[C@@H](C(=O)Nc1nn[nH]n1)[NH+]1CCSCC1 ZINC000269681068 135166167 /nfs/dbraw/zinc/16/61/67/135166167.db2.gz LDMIDMZYUCNHEH-LURJTMIESA-N 1 2 242.308 -0.425 20 0 BBADLO C[C@H](C(=O)Nc1nn[nH]n1)[NH+]1CCSCC1 ZINC000269681069 135166680 /nfs/dbraw/zinc/16/66/80/135166680.db2.gz LDMIDMZYUCNHEH-ZCFIWIBFSA-N 1 2 242.308 -0.425 20 0 BBADLO CC[N@@H+](CC(=O)Nc1nn[nH]n1)C1CC1 ZINC000269692689 385627426 /nfs/dbraw/zinc/62/74/26/385627426.db2.gz ONPVUHITQXINGP-UHFFFAOYSA-N 1 2 210.241 -0.378 20 0 BBADLO CC[N@H+](CC(=O)Nc1nn[nH]n1)C1CC1 ZINC000269692689 385627422 /nfs/dbraw/zinc/62/74/22/385627422.db2.gz ONPVUHITQXINGP-UHFFFAOYSA-N 1 2 210.241 -0.378 20 0 BBADLO Cc1ccncc1C[NH+]1CCN(CC(N)=O)CC1 ZINC000269732423 385632176 /nfs/dbraw/zinc/63/21/76/385632176.db2.gz WIYUWOBRXQCWPE-UHFFFAOYSA-N 1 2 248.330 -0.007 20 0 BBADLO CNC(=O)CCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000270033356 173241065 /nfs/dbraw/zinc/24/10/65/173241065.db2.gz BOLAGXLQJWJWPY-UHFFFAOYSA-N 1 2 224.264 -0.026 20 0 BBADLO Cc1[nH]c(C(=O)NCC(C)(C)C(N)=O)c[nH+]1 ZINC000270060220 385663407 /nfs/dbraw/zinc/66/34/07/385663407.db2.gz HIQXHGMWLMSBSV-UHFFFAOYSA-N 1 2 224.264 -0.041 20 0 BBADLO C=CC(=O)NCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000270129715 385673106 /nfs/dbraw/zinc/67/31/06/385673106.db2.gz SNWAEEGDRIQQEI-UHFFFAOYSA-N 1 2 222.248 -0.250 20 0 BBADLO Cc1[nH]c(C(=O)NC(C)(C)C(N)=O)c[nH+]1 ZINC000270140357 385675938 /nfs/dbraw/zinc/67/59/38/385675938.db2.gz UYMASBYYBQHJQE-UHFFFAOYSA-N 1 2 210.237 -0.288 20 0 BBADLO COC[C@@H](CCO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000270228711 385687791 /nfs/dbraw/zinc/68/77/91/385687791.db2.gz OCDDMYHXZVGKCD-MRVPVSSYSA-N 1 2 227.264 -0.155 20 0 BBADLO COC[C@H](CCO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000270228712 385686707 /nfs/dbraw/zinc/68/67/07/385686707.db2.gz OCDDMYHXZVGKCD-QMMMGPOBSA-N 1 2 227.264 -0.155 20 0 BBADLO CNC(=O)C[NH+]1CCN(c2ncc(C)cn2)CC1 ZINC000270256988 132195888 /nfs/dbraw/zinc/19/58/88/132195888.db2.gz WLATVRNJCHFBPA-UHFFFAOYSA-N 1 2 249.318 -0.347 20 0 BBADLO COC(=O)N[C@@H](C)C(=O)NCc1[nH+]ccn1C ZINC000270468228 385710104 /nfs/dbraw/zinc/71/01/04/385710104.db2.gz BQBQWMWHGBUWHZ-ZETCQYMHSA-N 1 2 240.263 -0.219 20 0 BBADLO CNC(=O)NCC(=O)Nc1c[nH+]ccc1OC ZINC000270479462 173290048 /nfs/dbraw/zinc/29/00/48/173290048.db2.gz IWYYCQIRRJNCFC-UHFFFAOYSA-N 1 2 238.247 -0.042 20 0 BBADLO C[NH+]1CCN(C(=O)[C@H](O)c2cccnc2)CC1 ZINC000270716794 173071862 /nfs/dbraw/zinc/07/18/62/173071862.db2.gz CPFFHNQCBYCGGZ-LLVKDONJSA-N 1 2 235.287 -0.111 20 0 BBADLO C[NH+]1CCN(C(=O)[C@@H](O)c2cccnc2)CC1 ZINC000270716798 173069627 /nfs/dbraw/zinc/06/96/27/173069627.db2.gz CPFFHNQCBYCGGZ-NSHDSACASA-N 1 2 235.287 -0.111 20 0 BBADLO O=C(CO)N1CC[NH+](Cc2ccncc2)CC1 ZINC000270735520 385735995 /nfs/dbraw/zinc/73/59/95/385735995.db2.gz DQMVLMBFKRFWDF-UHFFFAOYSA-N 1 2 235.287 -0.282 20 0 BBADLO Cn1ccc(CN2CC[NH+](CC(N)=O)CC2)n1 ZINC000270749490 385737497 /nfs/dbraw/zinc/73/74/97/385737497.db2.gz BVVFPFGFDJYJGT-UHFFFAOYSA-N 1 2 237.307 -0.977 20 0 BBADLO CN(C)c1ccc(CNC(=O)CO)c[nH+]1 ZINC000270756127 385739599 /nfs/dbraw/zinc/73/95/99/385739599.db2.gz KRWFGQPRQNGKPS-UHFFFAOYSA-N 1 2 209.249 -0.244 20 0 BBADLO O=C(CO)N1CC[NH+](Cc2ccccn2)CC1 ZINC000270762040 181986040 /nfs/dbraw/zinc/98/60/40/181986040.db2.gz MYAOOFWKNYHWAF-UHFFFAOYSA-N 1 2 235.287 -0.282 20 0 BBADLO O=C(CO)NCCc1cn2ccccc2[nH+]1 ZINC000270792446 385745920 /nfs/dbraw/zinc/74/59/20/385745920.db2.gz XMYIKFFJLNXGMD-UHFFFAOYSA-N 1 2 219.244 -0.015 20 0 BBADLO O=C(NCCn1cc[nH+]c1)[C@]1(O)CCSC1 ZINC000270793795 182217017 /nfs/dbraw/zinc/21/70/17/182217017.db2.gz MFSKWRXZNXFIDQ-JTQLQIEISA-N 1 2 241.316 -0.133 20 0 BBADLO O=C(NCCn1cc[nH+]c1)[C@@]1(O)CCSC1 ZINC000270793796 182214904 /nfs/dbraw/zinc/21/49/04/182214904.db2.gz MFSKWRXZNXFIDQ-SNVBAGLBSA-N 1 2 241.316 -0.133 20 0 BBADLO COC[C@H](O)CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000270812050 385749668 /nfs/dbraw/zinc/74/96/68/385749668.db2.gz CZJGTZMUTKELBO-MRVPVSSYSA-N 1 2 227.264 -0.155 20 0 BBADLO COC[C@@H](O)CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000270812051 385749632 /nfs/dbraw/zinc/74/96/32/385749632.db2.gz CZJGTZMUTKELBO-QMMMGPOBSA-N 1 2 227.264 -0.155 20 0 BBADLO CCC[C@H]1C(=O)NCC[N@@H+]1CCn1cncn1 ZINC000270823712 385747999 /nfs/dbraw/zinc/74/79/99/385747999.db2.gz BOOGUJNBFGASIY-JTQLQIEISA-N 1 2 237.307 -0.121 20 0 BBADLO CCC[C@H]1C(=O)NCC[N@H+]1CCn1cncn1 ZINC000270823712 385747995 /nfs/dbraw/zinc/74/79/95/385747995.db2.gz BOOGUJNBFGASIY-JTQLQIEISA-N 1 2 237.307 -0.121 20 0 BBADLO CCC[C@@H]1C(=O)NCC[N@@H+]1CCn1cncn1 ZINC000270823713 385748577 /nfs/dbraw/zinc/74/85/77/385748577.db2.gz BOOGUJNBFGASIY-SNVBAGLBSA-N 1 2 237.307 -0.121 20 0 BBADLO CCC[C@@H]1C(=O)NCC[N@H+]1CCn1cncn1 ZINC000270823713 385748574 /nfs/dbraw/zinc/74/85/74/385748574.db2.gz BOOGUJNBFGASIY-SNVBAGLBSA-N 1 2 237.307 -0.121 20 0 BBADLO NC(=O)C[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000270878770 132198148 /nfs/dbraw/zinc/19/81/48/132198148.db2.gz JXTXZKTUHQCZRJ-UHFFFAOYSA-N 1 2 238.266 -0.172 20 0 BBADLO CNC(=O)N1CCN(CCn2cc[nH+]c2)CC1 ZINC000270896078 173285556 /nfs/dbraw/zinc/28/55/56/173285556.db2.gz PZRHXEYMISEZDI-UHFFFAOYSA-N 1 2 237.307 -0.160 20 0 BBADLO Cc1[nH+]ccn1CCN1CCN2C(=O)NC[C@@H]2C1 ZINC000270918002 180255662 /nfs/dbraw/zinc/25/56/62/180255662.db2.gz UPFMFLQFLHCEJP-LLVKDONJSA-N 1 2 249.318 -0.099 20 0 BBADLO Cc1[nH+]ccn1CCN1CCN2C(=O)NC[C@H]2C1 ZINC000270918004 180256594 /nfs/dbraw/zinc/25/65/94/180256594.db2.gz UPFMFLQFLHCEJP-NSHDSACASA-N 1 2 249.318 -0.099 20 0 BBADLO C[C@@H](O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000270948453 385762535 /nfs/dbraw/zinc/76/25/35/385762535.db2.gz ZXJSKTFMBXETMT-SECBINFHSA-N 1 2 238.291 -0.565 20 0 BBADLO C[C@H](O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000270948456 176942846 /nfs/dbraw/zinc/94/28/46/176942846.db2.gz ZXJSKTFMBXETMT-VIFPVBQESA-N 1 2 238.291 -0.565 20 0 BBADLO COC(=O)c1cc(C[N@@H+](C)CC(N)=O)c[nH]1 ZINC000271041891 385774103 /nfs/dbraw/zinc/77/41/03/385774103.db2.gz JIBFZRWCGFFYLB-UHFFFAOYSA-N 1 2 225.248 -0.282 20 0 BBADLO COC(=O)c1cc(C[N@H+](C)CC(N)=O)c[nH]1 ZINC000271041891 385774099 /nfs/dbraw/zinc/77/40/99/385774099.db2.gz JIBFZRWCGFFYLB-UHFFFAOYSA-N 1 2 225.248 -0.282 20 0 BBADLO Cc1cc(NC(=O)NC(CO)CO)cc[nH+]1 ZINC000271125379 178137748 /nfs/dbraw/zinc/13/77/48/178137748.db2.gz KSUJNTIUEVFKRK-UHFFFAOYSA-N 1 2 225.248 -0.135 20 0 BBADLO CN(C)c1ncc(C[N@H+]2CCNC(=O)CC2)cn1 ZINC000271148644 385793662 /nfs/dbraw/zinc/79/36/62/385793662.db2.gz CBMVLCWDEMLMRB-UHFFFAOYSA-N 1 2 249.318 -0.136 20 0 BBADLO CN(C)c1ncc(C[N@@H+]2CCNC(=O)CC2)cn1 ZINC000271148644 385793658 /nfs/dbraw/zinc/79/36/58/385793658.db2.gz CBMVLCWDEMLMRB-UHFFFAOYSA-N 1 2 249.318 -0.136 20 0 BBADLO COC(=O)[C@@]1(NCCn2cc[nH+]c2)CCOC1 ZINC000271150963 385793672 /nfs/dbraw/zinc/79/36/72/385793672.db2.gz IKFMYPUVWPILQL-LLVKDONJSA-N 1 2 239.275 -0.195 20 0 BBADLO COC(=O)[C@]1(NCCn2cc[nH+]c2)CCOC1 ZINC000271150965 385792489 /nfs/dbraw/zinc/79/24/89/385792489.db2.gz IKFMYPUVWPILQL-NSHDSACASA-N 1 2 239.275 -0.195 20 0 BBADLO Cc1n[nH]cc1C[N@H+]1CCO[C@H](CO)C1 ZINC000271155995 384728185 /nfs/dbraw/zinc/72/81/85/384728185.db2.gz DAVBZTKSYSTMQN-JTQLQIEISA-N 1 2 211.265 -0.089 20 0 BBADLO Cc1n[nH]cc1C[N@@H+]1CCO[C@H](CO)C1 ZINC000271155995 384728180 /nfs/dbraw/zinc/72/81/80/384728180.db2.gz DAVBZTKSYSTMQN-JTQLQIEISA-N 1 2 211.265 -0.089 20 0 BBADLO Cc1n[nH]cc1C[N@H+]1CCO[C@@H](CO)C1 ZINC000271155997 384730439 /nfs/dbraw/zinc/73/04/39/384730439.db2.gz DAVBZTKSYSTMQN-SNVBAGLBSA-N 1 2 211.265 -0.089 20 0 BBADLO Cc1n[nH]cc1C[N@@H+]1CCO[C@@H](CO)C1 ZINC000271155997 384730429 /nfs/dbraw/zinc/73/04/29/384730429.db2.gz DAVBZTKSYSTMQN-SNVBAGLBSA-N 1 2 211.265 -0.089 20 0 BBADLO Cn1ccc(C[N@@H+](C)CC(C)(CO)CO)n1 ZINC000271207195 385803093 /nfs/dbraw/zinc/80/30/93/385803093.db2.gz WOWRJTDVXZMAHA-UHFFFAOYSA-N 1 2 227.308 -0.157 20 0 BBADLO Cn1ccc(C[N@H+](C)CC(C)(CO)CO)n1 ZINC000271207195 385803089 /nfs/dbraw/zinc/80/30/89/385803089.db2.gz WOWRJTDVXZMAHA-UHFFFAOYSA-N 1 2 227.308 -0.157 20 0 BBADLO O=C1C[N@@H+](CCCNc2ncccn2)CCN1 ZINC000271416765 385826202 /nfs/dbraw/zinc/82/62/02/385826202.db2.gz KZUMFDDNRKPELR-UHFFFAOYSA-N 1 2 235.291 -0.290 20 0 BBADLO O=C1C[N@H+](CCCNc2ncccn2)CCN1 ZINC000271416765 385826198 /nfs/dbraw/zinc/82/61/98/385826198.db2.gz KZUMFDDNRKPELR-UHFFFAOYSA-N 1 2 235.291 -0.290 20 0 BBADLO COC(=O)C[N@@H+](C)CCCOC(=O)NC(N)=O ZINC000271477663 385832340 /nfs/dbraw/zinc/83/23/40/385832340.db2.gz HXKGSHGRLGAIKM-UHFFFAOYSA-N 1 2 247.251 -0.714 20 0 BBADLO NC(=O)[C@H]1CSCC[N@H+]1CCn1cccn1 ZINC000271543479 181283458 /nfs/dbraw/zinc/28/34/58/181283458.db2.gz KFQRTSOYJZUJSE-SECBINFHSA-N 1 2 240.332 -0.214 20 0 BBADLO NC(=O)[C@H]1CSCC[N@@H+]1CCn1cccn1 ZINC000271543479 181283457 /nfs/dbraw/zinc/28/34/57/181283457.db2.gz KFQRTSOYJZUJSE-SECBINFHSA-N 1 2 240.332 -0.214 20 0 BBADLO NC(=O)[C@@H]1CSCC[N@H+]1CCn1cccn1 ZINC000271543482 181272408 /nfs/dbraw/zinc/27/24/08/181272408.db2.gz KFQRTSOYJZUJSE-VIFPVBQESA-N 1 2 240.332 -0.214 20 0 BBADLO NC(=O)[C@@H]1CSCC[N@@H+]1CCn1cccn1 ZINC000271543482 181272407 /nfs/dbraw/zinc/27/24/07/181272407.db2.gz KFQRTSOYJZUJSE-VIFPVBQESA-N 1 2 240.332 -0.214 20 0 BBADLO C[N@@H+](CCn1cccn1)Cc1nc(=O)[nH][nH]1 ZINC000271574266 385838307 /nfs/dbraw/zinc/83/83/07/385838307.db2.gz ANLWAECQXWEZHU-UHFFFAOYSA-N 1 2 222.252 -0.574 20 0 BBADLO C[N@H+](CCn1cccn1)Cc1nc(=O)[nH][nH]1 ZINC000271574266 385838305 /nfs/dbraw/zinc/83/83/05/385838305.db2.gz ANLWAECQXWEZHU-UHFFFAOYSA-N 1 2 222.252 -0.574 20 0 BBADLO C[N@@H+](CCCn1ccnc1)Cc1nc(=O)[nH][nH]1 ZINC000271603246 397969761 /nfs/dbraw/zinc/96/97/61/397969761.db2.gz BACGPNVMUABAGE-UHFFFAOYSA-N 1 2 236.279 -0.183 20 0 BBADLO C[N@H+](CCCn1ccnc1)Cc1nc(=O)[nH][nH]1 ZINC000271603246 397969757 /nfs/dbraw/zinc/96/97/57/397969757.db2.gz BACGPNVMUABAGE-UHFFFAOYSA-N 1 2 236.279 -0.183 20 0 BBADLO C[N@@H+](Cc1nc(=O)[nH][nH]1)C1(C(N)=O)CCCC1 ZINC000271619746 385841469 /nfs/dbraw/zinc/84/14/69/385841469.db2.gz DPJKMDXJIWAPSQ-UHFFFAOYSA-N 1 2 239.279 -0.672 20 0 BBADLO C[N@H+](Cc1nc(=O)[nH][nH]1)C1(C(N)=O)CCCC1 ZINC000271619746 385841466 /nfs/dbraw/zinc/84/14/66/385841466.db2.gz DPJKMDXJIWAPSQ-UHFFFAOYSA-N 1 2 239.279 -0.672 20 0 BBADLO COC(=O)[C@H]1CC[N@@H+](Cc2nc(=O)[nH][nH]2)C1 ZINC000271631913 385841943 /nfs/dbraw/zinc/84/19/43/385841943.db2.gz PFJMSKGRJIOBBI-LURJTMIESA-N 1 2 226.236 -0.907 20 0 BBADLO COC(=O)[C@H]1CC[N@H+](Cc2nc(=O)[nH][nH]2)C1 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CC(C)NS(=O)(=O)NCc1[nH+]ccn1C ZINC000272334720 167128560 /nfs/dbraw/zinc/12/85/60/167128560.db2.gz GADSPOLIVZUTON-UHFFFAOYSA-N 1 2 232.309 -0.248 20 0 BBADLO CCN(C)S(=O)(=O)NCc1[nH+]ccn1C ZINC000272392513 397979374 /nfs/dbraw/zinc/97/93/74/397979374.db2.gz VGBGMMAGISXFDE-UHFFFAOYSA-N 1 2 232.309 -0.294 20 0 BBADLO Cc1[nH]c(C(=O)NCC(=O)NCC2CC2)c[nH+]1 ZINC000272436587 385900994 /nfs/dbraw/zinc/90/09/94/385900994.db2.gz HTJWSQNEYHQAFG-UHFFFAOYSA-N 1 2 236.275 -0.026 20 0 BBADLO COc1n[nH]c(NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC000272469884 175395023 /nfs/dbraw/zinc/39/50/23/175395023.db2.gz LETDOJGQQMZJFX-LURJTMIESA-N 1 2 225.252 -0.154 20 0 BBADLO COc1n[nH]c(NC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC000272469884 175395021 /nfs/dbraw/zinc/39/50/21/175395021.db2.gz LETDOJGQQMZJFX-LURJTMIESA-N 1 2 225.252 -0.154 20 0 BBADLO COc1n[nH]c(NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC000272469885 175394497 /nfs/dbraw/zinc/39/44/97/175394497.db2.gz LETDOJGQQMZJFX-ZCFIWIBFSA-N 1 2 225.252 -0.154 20 0 BBADLO 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CNC(=O)[C@H]1C[N@@H+](Cc2ccn(C)c2)CCO1 ZINC000272781300 173308147 /nfs/dbraw/zinc/30/81/47/173308147.db2.gz VZGNYPLXXLGLAW-LLVKDONJSA-N 1 2 237.303 -0.028 20 0 BBADLO CNC(=O)[C@H]1C[N@H+](Cc2ccn(C)c2)CCO1 ZINC000272781300 173308146 /nfs/dbraw/zinc/30/81/46/173308146.db2.gz VZGNYPLXXLGLAW-LLVKDONJSA-N 1 2 237.303 -0.028 20 0 BBADLO CNC(=O)[C@@H]1C[N@@H+](Cc2ccn(C)c2)CCO1 ZINC000272781305 173300328 /nfs/dbraw/zinc/30/03/28/173300328.db2.gz VZGNYPLXXLGLAW-NSHDSACASA-N 1 2 237.303 -0.028 20 0 BBADLO CNC(=O)[C@@H]1C[N@H+](Cc2ccn(C)c2)CCO1 ZINC000272781305 173300327 /nfs/dbraw/zinc/30/03/27/173300327.db2.gz VZGNYPLXXLGLAW-NSHDSACASA-N 1 2 237.303 -0.028 20 0 BBADLO CC[N@H+]1CCCC[C@@H]1C(=O)Nn1cn[nH]c1=O ZINC000272934638 187337037 /nfs/dbraw/zinc/33/70/37/187337037.db2.gz VYDITDSIBXINOU-MRVPVSSYSA-N 1 2 239.279 -0.484 20 0 BBADLO CC[N@@H+]1CCCC[C@@H]1C(=O)Nn1cn[nH]c1=O ZINC000272934638 187337035 /nfs/dbraw/zinc/33/70/35/187337035.db2.gz VYDITDSIBXINOU-MRVPVSSYSA-N 1 2 239.279 -0.484 20 0 BBADLO CC[N@H+]1CCCC[C@H]1C(=O)Nn1cn[nH]c1=O ZINC000272934639 351503007 /nfs/dbraw/zinc/50/30/07/351503007.db2.gz VYDITDSIBXINOU-QMMMGPOBSA-N 1 2 239.279 -0.484 20 0 BBADLO CC[N@@H+]1CCCC[C@H]1C(=O)Nn1cn[nH]c1=O ZINC000272934639 351503004 /nfs/dbraw/zinc/50/30/04/351503004.db2.gz VYDITDSIBXINOU-QMMMGPOBSA-N 1 2 239.279 -0.484 20 0 BBADLO Cc1nc(NCCN2CCNC(=O)C2)cc[nH+]1 ZINC000272935437 180198370 /nfs/dbraw/zinc/19/83/70/180198370.db2.gz LKHZYQHWNDUNJD-UHFFFAOYSA-N 1 2 235.291 -0.371 20 0 BBADLO CCN1CC[N@@H+](CCn2cncn2)CC1=O ZINC000273403094 351527059 /nfs/dbraw/zinc/52/70/59/351527059.db2.gz HGCNOMIROCPJLO-UHFFFAOYSA-N 1 2 223.280 -0.558 20 0 BBADLO CCN1CC[N@H+](CCn2cncn2)CC1=O ZINC000273403094 351527056 /nfs/dbraw/zinc/52/70/56/351527056.db2.gz HGCNOMIROCPJLO-UHFFFAOYSA-N 1 2 223.280 -0.558 20 0 BBADLO Cc1[nH]c(C(=O)N[C@]2(CO)CCOC2)c[nH+]1 ZINC000273430494 385355407 /nfs/dbraw/zinc/35/54/07/385355407.db2.gz UOGNMPISHYOQRB-JTQLQIEISA-N 1 2 225.248 -0.401 20 0 BBADLO Cc1[nH]c(C(=O)N[C@@]2(CO)CCOC2)c[nH+]1 ZINC000273430496 385356176 /nfs/dbraw/zinc/35/61/76/385356176.db2.gz UOGNMPISHYOQRB-SNVBAGLBSA-N 1 2 225.248 -0.401 20 0 BBADLO C[NH+]1CCN(C(=O)c2coc(C(N)=O)c2)CC1 ZINC000273463003 173074323 /nfs/dbraw/zinc/07/43/23/173074323.db2.gz GWZGBWYYVVSQNG-UHFFFAOYSA-N 1 2 237.259 -0.234 20 0 BBADLO C[N@H+]1CCO[C@@H](CNC(=O)c2cncnc2)C1 ZINC000273605269 173102985 /nfs/dbraw/zinc/10/29/85/173102985.db2.gz GXNMLWWPDASSAP-JTQLQIEISA-N 1 2 236.275 -0.463 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNC(=O)c2cncnc2)C1 ZINC000273605269 173102982 /nfs/dbraw/zinc/10/29/82/173102982.db2.gz GXNMLWWPDASSAP-JTQLQIEISA-N 1 2 236.275 -0.463 20 0 BBADLO C[N@H+]1CCO[C@H](CNC(=O)c2cncnc2)C1 ZINC000273605270 173107964 /nfs/dbraw/zinc/10/79/64/173107964.db2.gz GXNMLWWPDASSAP-SNVBAGLBSA-N 1 2 236.275 -0.463 20 0 BBADLO C[N@@H+]1CCO[C@H](CNC(=O)c2cncnc2)C1 ZINC000273605270 173107963 /nfs/dbraw/zinc/10/79/63/173107963.db2.gz GXNMLWWPDASSAP-SNVBAGLBSA-N 1 2 236.275 -0.463 20 0 BBADLO CN(C[C@H](O)CO)C(=O)c1ccc2[nH+]ccn2c1 ZINC000273925725 386051408 /nfs/dbraw/zinc/05/14/08/386051408.db2.gz VMAHWQPGXFCXHS-JTQLQIEISA-N 1 2 249.270 -0.241 20 0 BBADLO C[NH+]1CCN(C(=O)c2cccnc2C(N)=O)CC1 ZINC000273970604 173072936 /nfs/dbraw/zinc/07/29/36/173072936.db2.gz GSTBVMUGFDUKBS-UHFFFAOYSA-N 1 2 248.286 -0.432 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+](C)CCn1cncn1 ZINC000274147487 398002407 /nfs/dbraw/zinc/00/24/07/398002407.db2.gz XYSOOHDFJDSFCH-MRVPVSSYSA-N 1 2 212.253 -0.229 20 0 BBADLO COC(=O)[C@@H](C)[N@H+](C)CCn1cncn1 ZINC000274147487 398002404 /nfs/dbraw/zinc/00/24/04/398002404.db2.gz XYSOOHDFJDSFCH-MRVPVSSYSA-N 1 2 212.253 -0.229 20 0 BBADLO COC(=O)[C@H](C)[N@@H+](C)CCn1cncn1 ZINC000274147488 398002441 /nfs/dbraw/zinc/00/24/41/398002441.db2.gz XYSOOHDFJDSFCH-QMMMGPOBSA-N 1 2 212.253 -0.229 20 0 BBADLO COC(=O)[C@H](C)[N@H+](C)CCn1cncn1 ZINC000274147488 398002439 /nfs/dbraw/zinc/00/24/39/398002439.db2.gz XYSOOHDFJDSFCH-QMMMGPOBSA-N 1 2 212.253 -0.229 20 0 BBADLO COC(=O)C1(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000274293339 398007790 /nfs/dbraw/zinc/00/77/90/398007790.db2.gz LEIIQQAWANQHCQ-UHFFFAOYSA-N 1 2 237.259 -0.048 20 0 BBADLO Cn1cc[nH+]c1CNC(=O)NCC(F)(F)CO ZINC000274359223 386095148 /nfs/dbraw/zinc/09/51/48/386095148.db2.gz HYLPTMSMXWTVAD-UHFFFAOYSA-N 1 2 248.233 -0.153 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)Nc2cncnc2)C1 ZINC000274396596 173100163 /nfs/dbraw/zinc/10/01/63/173100163.db2.gz JMZWALIHNBPYNS-SECBINFHSA-N 1 2 222.248 -0.254 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cncnc2)C1 ZINC000274396596 173100157 /nfs/dbraw/zinc/10/01/57/173100157.db2.gz JMZWALIHNBPYNS-SECBINFHSA-N 1 2 222.248 -0.254 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)Nc2cncnc2)C1 ZINC000274397460 173108164 /nfs/dbraw/zinc/10/81/64/173108164.db2.gz JMZWALIHNBPYNS-VIFPVBQESA-N 1 2 222.248 -0.254 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)Nc2cncnc2)C1 ZINC000274397460 173108161 /nfs/dbraw/zinc/10/81/61/173108161.db2.gz JMZWALIHNBPYNS-VIFPVBQESA-N 1 2 222.248 -0.254 20 0 BBADLO CNC(=O)C1C[NH+](Cc2nccn2C)C1 ZINC000274555549 173227976 /nfs/dbraw/zinc/22/79/76/173227976.db2.gz YSOIGFFFQBAEJX-UHFFFAOYSA-N 1 2 208.265 -0.402 20 0 BBADLO CNC(=O)C1CN(Cc2[nH+]ccn2C)C1 ZINC000274555549 173227974 /nfs/dbraw/zinc/22/79/74/173227974.db2.gz YSOIGFFFQBAEJX-UHFFFAOYSA-N 1 2 208.265 -0.402 20 0 BBADLO COc1cc(C(=O)N2CC[NH+](C)CC2)nn1C ZINC000274575025 386120046 /nfs/dbraw/zinc/12/00/46/386120046.db2.gz CTQUYJRHIAADCO-UHFFFAOYSA-N 1 2 238.291 -0.184 20 0 BBADLO COC(=O)[C@H](NC(=O)c1c[nH+]c(C)[nH]1)[C@@H](C)O ZINC000274604786 386125518 /nfs/dbraw/zinc/12/55/18/386125518.db2.gz VAEPEYPTKPACCU-SVGQVSJJSA-N 1 2 241.247 -0.630 20 0 BBADLO COC(=O)[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)[C@H](C)O ZINC000274604790 386125731 /nfs/dbraw/zinc/12/57/31/386125731.db2.gz VAEPEYPTKPACCU-XNCJUZBTSA-N 1 2 241.247 -0.630 20 0 BBADLO COC(=O)[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)[C@@H](C)O ZINC000274604793 386126080 /nfs/dbraw/zinc/12/60/80/386126080.db2.gz VAEPEYPTKPACCU-XRGYYRRGSA-N 1 2 241.247 -0.630 20 0 BBADLO COC(=O)[C@H](NC(=O)c1c[nH+]c(C)[nH]1)[C@H](C)O ZINC000274604796 173802044 /nfs/dbraw/zinc/80/20/44/173802044.db2.gz VAEPEYPTKPACCU-YLWLKBPMSA-N 1 2 241.247 -0.630 20 0 BBADLO O=C(NCCn1cc[nH+]c1)C1(O)CCC1 ZINC000274680407 182214718 /nfs/dbraw/zinc/21/47/18/182214718.db2.gz HCNUWIGIZCESSJ-UHFFFAOYSA-N 1 2 209.249 -0.086 20 0 BBADLO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)c1ccn(C)n1 ZINC000274812575 173100819 /nfs/dbraw/zinc/10/08/19/173100819.db2.gz RATFRJBYBNBSDJ-SECBINFHSA-N 1 2 238.291 -0.287 20 0 BBADLO CN(C(=O)[C@H]1C[N@H+](C)CCO1)c1ccn(C)n1 ZINC000274812575 173100817 /nfs/dbraw/zinc/10/08/17/173100817.db2.gz RATFRJBYBNBSDJ-SECBINFHSA-N 1 2 238.291 -0.287 20 0 BBADLO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccn(C)n1 ZINC000274812577 173104587 /nfs/dbraw/zinc/10/45/87/173104587.db2.gz RATFRJBYBNBSDJ-VIFPVBQESA-N 1 2 238.291 -0.287 20 0 BBADLO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)c1ccn(C)n1 ZINC000274812577 173104586 /nfs/dbraw/zinc/10/45/86/173104586.db2.gz RATFRJBYBNBSDJ-VIFPVBQESA-N 1 2 238.291 -0.287 20 0 BBADLO CC(CO)(CO)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000274908142 411438978 /nfs/dbraw/zinc/43/89/78/411438978.db2.gz IICWSWRHJFOSKT-UHFFFAOYSA-N 1 2 249.270 -0.193 20 0 BBADLO Cc1[nH]c(C(=O)NC(C)(CO)CO)c[nH+]1 ZINC000274938387 386164693 /nfs/dbraw/zinc/16/46/93/386164693.db2.gz PBYXTFJWKIOOTD-UHFFFAOYSA-N 1 2 213.237 -0.809 20 0 BBADLO CCN(C)C(=O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000274978224 386168037 /nfs/dbraw/zinc/16/80/37/386168037.db2.gz SOKSBPWASNYBAU-UHFFFAOYSA-N 1 2 224.264 -0.074 20 0 BBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccncn1 ZINC000275018271 182245357 /nfs/dbraw/zinc/24/53/57/182245357.db2.gz HRLYTYQEAPHAQS-JTQLQIEISA-N 1 2 247.302 -0.794 20 0 BBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccncn1 ZINC000275018274 182228842 /nfs/dbraw/zinc/22/88/42/182228842.db2.gz HRLYTYQEAPHAQS-SNVBAGLBSA-N 1 2 247.302 -0.794 20 0 BBADLO COCC1=CC[N@@H+](Cc2nc(=O)[nH][nH]2)CC1 ZINC000275020616 174116828 /nfs/dbraw/zinc/11/68/28/174116828.db2.gz UBZLYKHTVKOJSM-UHFFFAOYSA-N 1 2 224.264 -0.124 20 0 BBADLO COCC1=CC[N@H+](Cc2nc(=O)[nH][nH]2)CC1 ZINC000275020616 174116826 /nfs/dbraw/zinc/11/68/26/174116826.db2.gz UBZLYKHTVKOJSM-UHFFFAOYSA-N 1 2 224.264 -0.124 20 0 BBADLO COC(=O)[C@]1(C)CCC[N@H+]1CC(=O)NC(N)=O ZINC000275109663 386180085 /nfs/dbraw/zinc/18/00/85/386180085.db2.gz MWBQDDMJACQHPA-JTQLQIEISA-N 1 2 243.263 -0.791 20 0 BBADLO COC(=O)[C@]1(C)CCC[N@@H+]1CC(=O)NC(N)=O ZINC000275109663 386180081 /nfs/dbraw/zinc/18/00/81/386180081.db2.gz MWBQDDMJACQHPA-JTQLQIEISA-N 1 2 243.263 -0.791 20 0 BBADLO COC(=O)[C@@]1(C)CCC[N@H+]1CC(=O)NC(N)=O ZINC000275109666 386180327 /nfs/dbraw/zinc/18/03/27/386180327.db2.gz MWBQDDMJACQHPA-SNVBAGLBSA-N 1 2 243.263 -0.791 20 0 BBADLO COC(=O)[C@@]1(C)CCC[N@@H+]1CC(=O)NC(N)=O ZINC000275109666 386180319 /nfs/dbraw/zinc/18/03/19/386180319.db2.gz MWBQDDMJACQHPA-SNVBAGLBSA-N 1 2 243.263 -0.791 20 0 BBADLO CC(C)[NH+]1CC(NC(=O)c2nccnc2N)C1 ZINC000275224867 188379306 /nfs/dbraw/zinc/37/93/06/188379306.db2.gz LQICTUUHKAGXQZ-UHFFFAOYSA-N 1 2 235.291 -0.119 20 0 BBADLO C[N@H+]1CCO[C@H](CNC(=O)c2ccncn2)C1 ZINC000275363678 173107563 /nfs/dbraw/zinc/10/75/63/173107563.db2.gz UOEJZEWVXOQTIK-SECBINFHSA-N 1 2 236.275 -0.463 20 0 BBADLO C[N@@H+]1CCO[C@H](CNC(=O)c2ccncn2)C1 ZINC000275363678 173107560 /nfs/dbraw/zinc/10/75/60/173107560.db2.gz UOEJZEWVXOQTIK-SECBINFHSA-N 1 2 236.275 -0.463 20 0 BBADLO C[N@H+]1CCO[C@@H](CNC(=O)c2ccncn2)C1 ZINC000275363681 173101660 /nfs/dbraw/zinc/10/16/60/173101660.db2.gz UOEJZEWVXOQTIK-VIFPVBQESA-N 1 2 236.275 -0.463 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccncn2)C1 ZINC000275363681 173101657 /nfs/dbraw/zinc/10/16/57/173101657.db2.gz UOEJZEWVXOQTIK-VIFPVBQESA-N 1 2 236.275 -0.463 20 0 BBADLO CNC(=O)C[NH2+]Cc1c(Cl)cnn1C ZINC000275451816 173276718 /nfs/dbraw/zinc/27/67/18/173276718.db2.gz GLWVQTVRLMRFFG-UHFFFAOYSA-N 1 2 216.672 -0.091 20 0 BBADLO CCN(CCO)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000275844594 386245873 /nfs/dbraw/zinc/24/58/73/386245873.db2.gz AFCMYFCPHWFFSB-UHFFFAOYSA-N 1 2 236.279 -0.236 20 0 BBADLO O=C(NCC[N@H+]1CCCOCC1)c1nc[nH]n1 ZINC000275863691 182186426 /nfs/dbraw/zinc/18/64/26/182186426.db2.gz OCUWCJCOYZNICG-UHFFFAOYSA-N 1 2 239.279 -0.743 20 0 BBADLO O=C(NCC[N@@H+]1CCCOCC1)c1nc[nH]n1 ZINC000275863691 182186425 /nfs/dbraw/zinc/18/64/25/182186425.db2.gz OCUWCJCOYZNICG-UHFFFAOYSA-N 1 2 239.279 -0.743 20 0 BBADLO O=C(NCC[N@H+]1CCCOCC1)c1ncn[nH]1 ZINC000275863691 182186424 /nfs/dbraw/zinc/18/64/24/182186424.db2.gz OCUWCJCOYZNICG-UHFFFAOYSA-N 1 2 239.279 -0.743 20 0 BBADLO O=C(NCC[N@@H+]1CCCOCC1)c1ncn[nH]1 ZINC000275863691 182186423 /nfs/dbraw/zinc/18/64/23/182186423.db2.gz OCUWCJCOYZNICG-UHFFFAOYSA-N 1 2 239.279 -0.743 20 0 BBADLO O=C(NCC[N@H+]1CCCOCC1)c1nnc[nH]1 ZINC000275863691 182186422 /nfs/dbraw/zinc/18/64/22/182186422.db2.gz OCUWCJCOYZNICG-UHFFFAOYSA-N 1 2 239.279 -0.743 20 0 BBADLO O=C(NCC[N@@H+]1CCCOCC1)c1nnc[nH]1 ZINC000275863691 182186421 /nfs/dbraw/zinc/18/64/21/182186421.db2.gz OCUWCJCOYZNICG-UHFFFAOYSA-N 1 2 239.279 -0.743 20 0 BBADLO CC(=O)NC1CN(c2[nH+]cnc3c2cnn3C)C1 ZINC000276066350 386268649 /nfs/dbraw/zinc/26/86/49/386268649.db2.gz JIHFMBSFKBHDCF-UHFFFAOYSA-N 1 2 246.274 -0.312 20 0 BBADLO CCN1CCC[N@@H+](Cc2cnnn2C)CC1=O ZINC000276118152 351610049 /nfs/dbraw/zinc/61/00/49/351610049.db2.gz AVNNFERKQMHDBJ-UHFFFAOYSA-N 1 2 237.307 -0.131 20 0 BBADLO CCN1CCC[N@H+](Cc2cnnn2C)CC1=O ZINC000276118152 351610047 /nfs/dbraw/zinc/61/00/47/351610047.db2.gz AVNNFERKQMHDBJ-UHFFFAOYSA-N 1 2 237.307 -0.131 20 0 BBADLO Cc1nc(N2CC(=O)N(C)C(=O)C2)cc[nH+]1 ZINC000276197342 132206533 /nfs/dbraw/zinc/20/65/33/132206533.db2.gz VOJJGLCBONQGPE-UHFFFAOYSA-N 1 2 220.232 -0.410 20 0 BBADLO CC(=O)N1CC(C(=O)NCc2[nH+]ccn2C)C1 ZINC000276245570 386289432 /nfs/dbraw/zinc/28/94/32/386289432.db2.gz GNAPHCVZXJTCQV-UHFFFAOYSA-N 1 2 236.275 -0.485 20 0 BBADLO C[C@@H](CO)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000276246930 388348003 /nfs/dbraw/zinc/34/80/03/388348003.db2.gz LGNUOSUJKNJMEY-YFKPBYRVSA-N 1 2 222.252 -0.262 20 0 BBADLO CCn1nccc1CC[N@H+]1CCNC(=O)C1 ZINC000276254810 172259885 /nfs/dbraw/zinc/25/98/85/172259885.db2.gz ABWMCQIVEIBNBP-UHFFFAOYSA-N 1 2 222.292 -0.123 20 0 BBADLO CCn1nccc1CC[N@@H+]1CCNC(=O)C1 ZINC000276254810 172259883 /nfs/dbraw/zinc/25/98/83/172259883.db2.gz ABWMCQIVEIBNBP-UHFFFAOYSA-N 1 2 222.292 -0.123 20 0 BBADLO Cn1ncc2c1nc(N1CCC[C@@H]1CO)[nH+]c2N ZINC000276280774 386297116 /nfs/dbraw/zinc/29/71/16/386297116.db2.gz OZPWFVVLZGATQW-SSDOTTSWSA-N 1 2 248.290 -0.093 20 0 BBADLO CCn1cc(CC[N@H+]2CCNC(=O)C2)cn1 ZINC000276285459 172160252 /nfs/dbraw/zinc/16/02/52/172160252.db2.gz GTEXSVPCNKLNOE-UHFFFAOYSA-N 1 2 222.292 -0.123 20 0 BBADLO CCn1cc(CC[N@@H+]2CCNC(=O)C2)cn1 ZINC000276285459 172160250 /nfs/dbraw/zinc/16/02/50/172160250.db2.gz GTEXSVPCNKLNOE-UHFFFAOYSA-N 1 2 222.292 -0.123 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1CCc1ccnn1C ZINC000276315825 176046855 /nfs/dbraw/zinc/04/68/55/176046855.db2.gz NJHFNLHCPCMMHO-SECBINFHSA-N 1 2 222.292 -0.217 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1CCc1ccnn1C ZINC000276315825 176046853 /nfs/dbraw/zinc/04/68/53/176046853.db2.gz NJHFNLHCPCMMHO-SECBINFHSA-N 1 2 222.292 -0.217 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1CCc1ccnn1C ZINC000276315826 177059039 /nfs/dbraw/zinc/05/90/39/177059039.db2.gz NJHFNLHCPCMMHO-VIFPVBQESA-N 1 2 222.292 -0.217 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1CCc1ccnn1C ZINC000276315826 177059038 /nfs/dbraw/zinc/05/90/38/177059038.db2.gz NJHFNLHCPCMMHO-VIFPVBQESA-N 1 2 222.292 -0.217 20 0 BBADLO C[C@@H](O)CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000276328590 388348882 /nfs/dbraw/zinc/34/88/82/388348882.db2.gz VGHHSZDKTVPBMI-RXMQYKEDSA-N 1 2 222.252 -0.262 20 0 BBADLO C[C@H](O)CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000276328594 388348373 /nfs/dbraw/zinc/34/83/73/388348373.db2.gz VGHHSZDKTVPBMI-YFKPBYRVSA-N 1 2 222.252 -0.262 20 0 BBADLO Cn1nccc1CC[N@H+]1CCNC(=O)C1 ZINC000276335883 386304674 /nfs/dbraw/zinc/30/46/74/386304674.db2.gz SEDMNZBPEGAYJW-UHFFFAOYSA-N 1 2 208.265 -0.606 20 0 BBADLO Cn1nccc1CC[N@@H+]1CCNC(=O)C1 ZINC000276335883 386304671 /nfs/dbraw/zinc/30/46/71/386304671.db2.gz SEDMNZBPEGAYJW-UHFFFAOYSA-N 1 2 208.265 -0.606 20 0 BBADLO Cn1ncc2c1nc(N1CCC[C@@H](O)C1)[nH+]c2N ZINC000276366982 132206493 /nfs/dbraw/zinc/20/64/93/132206493.db2.gz ZVJFXQCWJLKOKT-SSDOTTSWSA-N 1 2 248.290 -0.093 20 0 BBADLO Cn1ncc2c1nc(N1CCC[C@H](O)C1)[nH+]c2N ZINC000276366983 132206491 /nfs/dbraw/zinc/20/64/91/132206491.db2.gz ZVJFXQCWJLKOKT-ZETCQYMHSA-N 1 2 248.290 -0.093 20 0 BBADLO O=C(NCCn1cc[nH+]c1)C(=O)NCC1CC1 ZINC000276415111 182215142 /nfs/dbraw/zinc/21/51/42/182215142.db2.gz BTXINSGJQXSPMW-UHFFFAOYSA-N 1 2 236.275 -0.475 20 0 BBADLO C[C@H](CO)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000276448301 388350108 /nfs/dbraw/zinc/35/01/08/388350108.db2.gz LGNUOSUJKNJMEY-RXMQYKEDSA-N 1 2 222.252 -0.262 20 0 BBADLO CC[N@@H+](CC(N)=O)Cc1cnn(CCOC)c1 ZINC000276491273 386333555 /nfs/dbraw/zinc/33/35/55/386333555.db2.gz QFARBQUYORMIFN-UHFFFAOYSA-N 1 2 240.307 -0.163 20 0 BBADLO CC[N@H+](CC(N)=O)Cc1cnn(CCOC)c1 ZINC000276491273 386333550 /nfs/dbraw/zinc/33/35/50/386333550.db2.gz QFARBQUYORMIFN-UHFFFAOYSA-N 1 2 240.307 -0.163 20 0 BBADLO C[C@H]1C(=O)NCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276654470 177058591 /nfs/dbraw/zinc/05/85/91/177058591.db2.gz XCJFGHJNEHQXIL-SGJFDWMWSA-N 1 2 234.259 -0.230 20 0 BBADLO C[C@@H]1C(=O)NCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276654471 176044966 /nfs/dbraw/zinc/04/49/66/176044966.db2.gz XCJFGHJNEHQXIL-UFUPEUMYSA-N 1 2 234.259 -0.230 20 0 BBADLO CC(C)[NH+]1CC(NC(=O)c2cnn[nH]2)C1 ZINC000276684615 187239332 /nfs/dbraw/zinc/23/93/32/187239332.db2.gz WOPIUMLYXKTIMH-UHFFFAOYSA-N 1 2 209.253 -0.373 20 0 BBADLO CC(C)[NH+]1CC(NC(=O)c2cn[nH]n2)C1 ZINC000276684615 187239331 /nfs/dbraw/zinc/23/93/31/187239331.db2.gz WOPIUMLYXKTIMH-UHFFFAOYSA-N 1 2 209.253 -0.373 20 0 BBADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CO ZINC000276695691 176249745 /nfs/dbraw/zinc/24/97/45/176249745.db2.gz GUDKXVCCWJILBM-ZJUUUORDSA-N 1 2 223.276 -0.030 20 0 BBADLO CCN(C)C(=O)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000276698330 386364352 /nfs/dbraw/zinc/36/43/52/386364352.db2.gz YRANVWCOJLJBGY-SECBINFHSA-N 1 2 238.291 -0.134 20 0 BBADLO CCN(C)C(=O)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000276698335 386365642 /nfs/dbraw/zinc/36/56/42/386365642.db2.gz YRANVWCOJLJBGY-VIFPVBQESA-N 1 2 238.291 -0.134 20 0 BBADLO COc1cncc(C(=O)N2CC[NH+](C)CC2)n1 ZINC000276737453 188029718 /nfs/dbraw/zinc/02/97/18/188029718.db2.gz VPDKPEBEVQFFRF-UHFFFAOYSA-N 1 2 236.275 -0.127 20 0 BBADLO O=S(=O)(NCCn1cc[nH+]c1)C1COC1 ZINC000276842890 386381660 /nfs/dbraw/zinc/38/16/60/386381660.db2.gz CLBXGOQWBGSUKA-UHFFFAOYSA-N 1 2 231.277 -0.799 20 0 BBADLO CO[C@@H]1C[N@@H+](Cc2nccc(N)n2)C[C@@H]1OC ZINC000276849669 386384771 /nfs/dbraw/zinc/38/47/71/386384771.db2.gz ITLOORNUHOKCDW-DTORHVGOSA-N 1 2 238.291 -0.096 20 0 BBADLO CO[C@@H]1C[N@H+](Cc2nccc(N)n2)C[C@@H]1OC ZINC000276849669 386384765 /nfs/dbraw/zinc/38/47/65/386384765.db2.gz ITLOORNUHOKCDW-DTORHVGOSA-N 1 2 238.291 -0.096 20 0 BBADLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)C1COC1 ZINC000276857706 386383977 /nfs/dbraw/zinc/38/39/77/386383977.db2.gz FVEGQRDPYCNTQT-MRVPVSSYSA-N 1 2 245.304 -0.410 20 0 BBADLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)C1COC1 ZINC000276857708 386382891 /nfs/dbraw/zinc/38/28/91/386382891.db2.gz FVEGQRDPYCNTQT-QMMMGPOBSA-N 1 2 245.304 -0.410 20 0 BBADLO CO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1OC ZINC000276871396 386386829 /nfs/dbraw/zinc/38/68/29/386386829.db2.gz HISMVNVMLIMFBN-AOOOYVTPSA-N 1 2 239.275 -0.245 20 0 BBADLO O=S(=O)(NCCCn1cc[nH+]c1)C1COC1 ZINC000276872621 386386399 /nfs/dbraw/zinc/38/63/99/386386399.db2.gz HTUYHNBBOMSKOW-UHFFFAOYSA-N 1 2 245.304 -0.409 20 0 BBADLO CCN(CC(N)=O)c1[nH+]cnc2c1cnn2C ZINC000276916427 386391441 /nfs/dbraw/zinc/39/14/41/386391441.db2.gz OCQFMDBDTLRZOA-UHFFFAOYSA-N 1 2 234.263 -0.325 20 0 BBADLO Nc1nc[nH+]c(N(CCO)CCCO)c1Cl ZINC000277279767 388353826 /nfs/dbraw/zinc/35/38/26/388353826.db2.gz AOORSXVKAMNEER-UHFFFAOYSA-N 1 2 246.698 -0.107 20 0 BBADLO Nc1[nH+]cnc(N(CCO)CCCO)c1Cl ZINC000277279767 388353824 /nfs/dbraw/zinc/35/38/24/388353824.db2.gz AOORSXVKAMNEER-UHFFFAOYSA-N 1 2 246.698 -0.107 20 0 BBADLO CN(CC(N)=O)c1cc(N2CCCC2)nc[nH+]1 ZINC000277346632 490293190 /nfs/dbraw/zinc/29/31/90/490293190.db2.gz GBAIVYHBOAEIDH-UHFFFAOYSA-N 1 2 235.291 -0.002 20 0 BBADLO CN(CC(N)=O)c1cc(N2CCCC2)[nH+]cn1 ZINC000277346632 490293185 /nfs/dbraw/zinc/29/31/85/490293185.db2.gz GBAIVYHBOAEIDH-UHFFFAOYSA-N 1 2 235.291 -0.002 20 0 BBADLO Nc1[nH+]cnc(N2CC(O)C2)c1Cl ZINC000277405648 387535614 /nfs/dbraw/zinc/53/56/14/387535614.db2.gz KBXMFIUBENTMTM-UHFFFAOYSA-N 1 2 200.629 -0.107 20 0 BBADLO O[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@@H]1O ZINC000277436278 386432272 /nfs/dbraw/zinc/43/22/72/386432272.db2.gz MVROOZXDIQOXGA-DTORHVGOSA-N 1 2 221.260 -0.104 20 0 BBADLO O[C@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@@H]1O ZINC000277436282 187514980 /nfs/dbraw/zinc/51/49/80/187514980.db2.gz MVROOZXDIQOXGA-IUCAKERBSA-N 1 2 221.260 -0.104 20 0 BBADLO O[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@H]1O ZINC000277436285 183207640 /nfs/dbraw/zinc/20/76/40/183207640.db2.gz MVROOZXDIQOXGA-RKDXNWHRSA-N 1 2 221.260 -0.104 20 0 BBADLO OC[C@H](O)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000277688436 183143841 /nfs/dbraw/zinc/14/38/41/183143841.db2.gz FPLRGHJBXHNUAM-SECBINFHSA-N 1 2 238.291 -0.158 20 0 BBADLO OC[C@H](O)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000277688436 183143839 /nfs/dbraw/zinc/14/38/39/183143839.db2.gz FPLRGHJBXHNUAM-SECBINFHSA-N 1 2 238.291 -0.158 20 0 BBADLO OC[C@@H](O)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000277688438 183110448 /nfs/dbraw/zinc/11/04/48/183110448.db2.gz FPLRGHJBXHNUAM-VIFPVBQESA-N 1 2 238.291 -0.158 20 0 BBADLO OC[C@@H](O)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000277688438 183110445 /nfs/dbraw/zinc/11/04/45/183110445.db2.gz FPLRGHJBXHNUAM-VIFPVBQESA-N 1 2 238.291 -0.158 20 0 BBADLO Cc1cc(NC(=O)N2C[C@@H](O)[C@@H](O)C2)cc[nH+]1 ZINC000277911328 178136901 /nfs/dbraw/zinc/13/69/01/178136901.db2.gz DFPBYQRSDBZGOA-AOOOYVTPSA-N 1 2 237.259 -0.041 20 0 BBADLO Cc1cc(NC(=O)N2C[C@@H](O)[C@H](O)C2)cc[nH+]1 ZINC000277911330 178138094 /nfs/dbraw/zinc/13/80/94/178138094.db2.gz DFPBYQRSDBZGOA-NXEZZACHSA-N 1 2 237.259 -0.041 20 0 BBADLO Cc1cc(NC(=O)N2C[C@H](O)[C@@H](O)C2)cc[nH+]1 ZINC000277911334 178137932 /nfs/dbraw/zinc/13/79/32/178137932.db2.gz DFPBYQRSDBZGOA-UWVGGRQHSA-N 1 2 237.259 -0.041 20 0 BBADLO Cc1[nH]c(C(=O)N[C@]2(CCO)CCOC2)c[nH+]1 ZINC000278007742 386483285 /nfs/dbraw/zinc/48/32/85/386483285.db2.gz FGXRAPSYTXVIPY-LLVKDONJSA-N 1 2 239.275 -0.011 20 0 BBADLO Cc1[nH]c(C(=O)N[C@@]2(CCO)CCOC2)c[nH+]1 ZINC000278007744 386482157 /nfs/dbraw/zinc/48/21/57/386482157.db2.gz FGXRAPSYTXVIPY-NSHDSACASA-N 1 2 239.275 -0.011 20 0 BBADLO C[C@H](CO)CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278158174 386495423 /nfs/dbraw/zinc/49/54/23/386495423.db2.gz BXQXZFSXEUECET-LURJTMIESA-N 1 2 236.279 -0.014 20 0 BBADLO C[C@@H](CO)CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278158175 386493945 /nfs/dbraw/zinc/49/39/45/386493945.db2.gz BXQXZFSXEUECET-ZCFIWIBFSA-N 1 2 236.279 -0.014 20 0 BBADLO Cn1ncc(Cl)c1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278340112 386513626 /nfs/dbraw/zinc/51/36/26/386513626.db2.gz HOTLDXDXVSGQBW-DTORHVGOSA-N 1 2 231.683 -0.389 20 0 BBADLO Cn1ncc(Cl)c1C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278340112 386513620 /nfs/dbraw/zinc/51/36/20/386513620.db2.gz HOTLDXDXVSGQBW-DTORHVGOSA-N 1 2 231.683 -0.389 20 0 BBADLO Cn1ncc(Cl)c1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000278340115 386514283 /nfs/dbraw/zinc/51/42/83/386514283.db2.gz HOTLDXDXVSGQBW-IUCAKERBSA-N 1 2 231.683 -0.389 20 0 BBADLO Cn1ncc(Cl)c1C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278340117 386513730 /nfs/dbraw/zinc/51/37/30/386513730.db2.gz HOTLDXDXVSGQBW-RKDXNWHRSA-N 1 2 231.683 -0.389 20 0 BBADLO COC(=O)c1ccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)[nH]1 ZINC000278351581 371221736 /nfs/dbraw/zinc/22/17/36/371221736.db2.gz IQPSSIQEWPGCKV-AOOOYVTPSA-N 1 2 240.259 -0.661 20 0 BBADLO COC(=O)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)[nH]1 ZINC000278351581 371221729 /nfs/dbraw/zinc/22/17/29/371221729.db2.gz IQPSSIQEWPGCKV-AOOOYVTPSA-N 1 2 240.259 -0.661 20 0 BBADLO COC(=O)c1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)[nH]1 ZINC000278351588 371222124 /nfs/dbraw/zinc/22/21/24/371222124.db2.gz IQPSSIQEWPGCKV-UWVGGRQHSA-N 1 2 240.259 -0.661 20 0 BBADLO Cn1ncc2c1nc(N1CC[C@@](C)(O)C1)[nH+]c2N ZINC000278446680 386527092 /nfs/dbraw/zinc/52/70/92/386527092.db2.gz REWSVMGTUCARMM-LLVKDONJSA-N 1 2 248.290 -0.093 20 0 BBADLO Cn1ncc2c1nc(N1CC[C@](C)(O)C1)[nH+]c2N ZINC000278446685 386527407 /nfs/dbraw/zinc/52/74/07/386527407.db2.gz REWSVMGTUCARMM-NSHDSACASA-N 1 2 248.290 -0.093 20 0 BBADLO O=C(Nn1cn[nH]c1=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000278475980 386531769 /nfs/dbraw/zinc/53/17/69/386531769.db2.gz DVETWTDEDBSJBB-MRVPVSSYSA-N 1 2 237.263 -0.732 20 0 BBADLO O=C(Nn1cn[nH]c1=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000278475980 386531762 /nfs/dbraw/zinc/53/17/62/386531762.db2.gz DVETWTDEDBSJBB-MRVPVSSYSA-N 1 2 237.263 -0.732 20 0 BBADLO O=C(Nn1cn[nH]c1=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000278475982 386533597 /nfs/dbraw/zinc/53/35/97/386533597.db2.gz DVETWTDEDBSJBB-QMMMGPOBSA-N 1 2 237.263 -0.732 20 0 BBADLO O=C(Nn1cn[nH]c1=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000278475982 386533592 /nfs/dbraw/zinc/53/35/92/386533592.db2.gz DVETWTDEDBSJBB-QMMMGPOBSA-N 1 2 237.263 -0.732 20 0 BBADLO CNC(=O)CCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278481181 173262092 /nfs/dbraw/zinc/26/20/92/173262092.db2.gz VMLLVVBKQFSLPP-UHFFFAOYSA-N 1 2 249.278 -0.507 20 0 BBADLO CC(=O)NCCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278493570 188030867 /nfs/dbraw/zinc/03/08/67/188030867.db2.gz WLCJQKVKPHUYFD-UHFFFAOYSA-N 1 2 249.278 -0.507 20 0 BBADLO CN(C)C(=O)CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278497261 172373014 /nfs/dbraw/zinc/37/30/14/172373014.db2.gz WUTBUEKSWJDCBY-UHFFFAOYSA-N 1 2 249.278 -0.554 20 0 BBADLO CN(CCO)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000278498851 384012607 /nfs/dbraw/zinc/01/26/07/384012607.db2.gz XABQGJWBOHWBAW-UHFFFAOYSA-N 1 2 222.252 -0.626 20 0 BBADLO Cc1cnc(C[NH+]2C[C@@H](O)[C@H](O)C2)s1 ZINC000278652642 386559673 /nfs/dbraw/zinc/55/96/73/386559673.db2.gz HKWPTLQULJMLPP-HTQZYQBOSA-N 1 2 214.290 -0.011 20 0 BBADLO Cc1cnc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)s1 ZINC000278652646 386559878 /nfs/dbraw/zinc/55/98/78/386559878.db2.gz HKWPTLQULJMLPP-OCAPTIKFSA-N 1 2 214.290 -0.011 20 0 BBADLO Cc1cnc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)s1 ZINC000278652646 386559874 /nfs/dbraw/zinc/55/98/74/386559874.db2.gz HKWPTLQULJMLPP-OCAPTIKFSA-N 1 2 214.290 -0.011 20 0 BBADLO Cc1cnc(C[NH+]2C[C@H](O)[C@@H](O)C2)s1 ZINC000278652648 179599232 /nfs/dbraw/zinc/59/92/32/179599232.db2.gz HKWPTLQULJMLPP-YUMQZZPRSA-N 1 2 214.290 -0.011 20 0 BBADLO NC(=O)NC(=O)C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000278667025 181254186 /nfs/dbraw/zinc/25/41/86/181254186.db2.gz QSIYCBLPLUTSQG-MRVPVSSYSA-N 1 2 237.263 -0.259 20 0 BBADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000278667025 181254184 /nfs/dbraw/zinc/25/41/84/181254184.db2.gz QSIYCBLPLUTSQG-MRVPVSSYSA-N 1 2 237.263 -0.259 20 0 BBADLO NC(=O)NC(=O)C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000278667029 181254178 /nfs/dbraw/zinc/25/41/78/181254178.db2.gz QSIYCBLPLUTSQG-QMMMGPOBSA-N 1 2 237.263 -0.259 20 0 BBADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000278667029 181254177 /nfs/dbraw/zinc/25/41/77/181254177.db2.gz QSIYCBLPLUTSQG-QMMMGPOBSA-N 1 2 237.263 -0.259 20 0 BBADLO NC(=O)[C@@]1(O)CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000278680490 181275839 /nfs/dbraw/zinc/27/58/39/181275839.db2.gz GSOWOUPEMCNEOZ-GFCCVEGCSA-N 1 2 246.270 -0.011 20 0 BBADLO NC(=O)[C@]1(O)CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000278680495 181284409 /nfs/dbraw/zinc/28/44/09/181284409.db2.gz GSOWOUPEMCNEOZ-LBPRGKRZSA-N 1 2 246.270 -0.011 20 0 BBADLO O[C@@H]1C[N@H+](Cc2ccc(F)cn2)C[C@@H]1O ZINC000278717141 183244070 /nfs/dbraw/zinc/24/40/70/183244070.db2.gz KKJUTHTXDQYESN-AOOOYVTPSA-N 1 2 212.224 -0.242 20 0 BBADLO O[C@@H]1C[N@@H+](Cc2ccc(F)cn2)C[C@@H]1O ZINC000278717141 183244069 /nfs/dbraw/zinc/24/40/69/183244069.db2.gz KKJUTHTXDQYESN-AOOOYVTPSA-N 1 2 212.224 -0.242 20 0 BBADLO O[C@@H]1C[NH+](Cc2ccc(F)cn2)C[C@H]1O ZINC000278717147 183207183 /nfs/dbraw/zinc/20/71/83/183207183.db2.gz KKJUTHTXDQYESN-NXEZZACHSA-N 1 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ZINC000278819195 386590375 /nfs/dbraw/zinc/59/03/75/386590375.db2.gz POTZMMSSVOENSG-NXEZZACHSA-N 1 2 241.243 -0.396 20 0 BBADLO COC(=O)c1coc(C[NH+]2C[C@H](O)[C@@H](O)C2)c1 ZINC000278819201 173912245 /nfs/dbraw/zinc/91/22/45/173912245.db2.gz POTZMMSSVOENSG-UWVGGRQHSA-N 1 2 241.243 -0.396 20 0 BBADLO CCc1cc(=O)[nH]c(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000278928903 386605204 /nfs/dbraw/zinc/60/52/04/386605204.db2.gz XEFJEHCTQNTTQB-DTORHVGOSA-N 1 2 239.275 -0.718 20 0 BBADLO CCc1cc(=O)[nH]c(C[N@H+]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000278928903 386605193 /nfs/dbraw/zinc/60/51/93/386605193.db2.gz XEFJEHCTQNTTQB-DTORHVGOSA-N 1 2 239.275 -0.718 20 0 BBADLO CCc1cc(=O)[nH]c(C[NH+]2C[C@H](O)[C@@H](O)C2)n1 ZINC000278928904 386606634 /nfs/dbraw/zinc/60/66/34/386606634.db2.gz XEFJEHCTQNTTQB-IUCAKERBSA-N 1 2 239.275 -0.718 20 0 BBADLO CCc1cc(=O)[nH]c(C[NH+]2C[C@@H](O)[C@H](O)C2)n1 ZINC000278928905 386605526 /nfs/dbraw/zinc/60/55/26/386605526.db2.gz XEFJEHCTQNTTQB-RKDXNWHRSA-N 1 2 239.275 -0.718 20 0 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398051630 /nfs/dbraw/zinc/05/16/30/398051630.db2.gz VINXKKSHHHHYGS-HQJQHLMTSA-N 1 2 239.275 -0.012 20 0 BBADLO Cc1[nH]c(C(=O)NC[C@]2(O)CCO[C@@H]2C)c[nH+]1 ZINC000279593673 398051587 /nfs/dbraw/zinc/05/15/87/398051587.db2.gz VINXKKSHHHHYGS-RDDDGLTNSA-N 1 2 239.275 -0.012 20 0 BBADLO Cc1[nH]c(C(=O)NC[C@]2(O)CCO[C@H]2C)c[nH+]1 ZINC000279593676 398051640 /nfs/dbraw/zinc/05/16/40/398051640.db2.gz VINXKKSHHHHYGS-WRWORJQWSA-N 1 2 239.275 -0.012 20 0 BBADLO CN1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1=O ZINC000279725237 538936019 /nfs/dbraw/zinc/93/60/19/538936019.db2.gz BSOCJKBQDSOZGV-UHFFFAOYSA-N 1 2 236.275 -0.357 20 0 BBADLO CN1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1=O ZINC000279725237 538936017 /nfs/dbraw/zinc/93/60/17/538936017.db2.gz BSOCJKBQDSOZGV-UHFFFAOYSA-N 1 2 236.275 -0.357 20 0 BBADLO CC[C@@H]([NH2+]CCN1C(=O)CNC1=O)C(=O)OC ZINC000279752439 386731377 /nfs/dbraw/zinc/73/13/77/386731377.db2.gz LOAFRGQTDVULAP-SSDOTTSWSA-N 1 2 243.263 -0.921 20 0 BBADLO CC[C@H]([NH2+]CCN1C(=O)CNC1=O)C(=O)OC 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385655356 /nfs/dbraw/zinc/65/53/56/385655356.db2.gz JZOZWNRMAJLXPH-SSDOTTSWSA-N 1 2 245.279 -0.545 20 0 BBADLO CC[C@H](C)[N@@H+](CC(=O)NC(N)=O)CC(=O)OC ZINC000281303562 171310838 /nfs/dbraw/zinc/31/08/38/171310838.db2.gz JZOZWNRMAJLXPH-ZETCQYMHSA-N 1 2 245.279 -0.545 20 0 BBADLO CC[C@H](C)[N@H+](CC(=O)NC(N)=O)CC(=O)OC ZINC000281303562 171310837 /nfs/dbraw/zinc/31/08/37/171310837.db2.gz JZOZWNRMAJLXPH-ZETCQYMHSA-N 1 2 245.279 -0.545 20 0 BBADLO Cn1nncc1C(=O)N1CC[NH+](C)CC1 ZINC000281569302 173073308 /nfs/dbraw/zinc/07/33/08/173073308.db2.gz RECCVNCRCARMCT-UHFFFAOYSA-N 1 2 209.253 -0.797 20 0 BBADLO C[N@@H+](CCCO)CC(=O)Nc1nncs1 ZINC000281590853 385685081 /nfs/dbraw/zinc/68/50/81/385685081.db2.gz FMVOEHXPKXMISY-UHFFFAOYSA-N 1 2 230.293 -0.209 20 0 BBADLO C[N@H+](CCCO)CC(=O)Nc1nncs1 ZINC000281590853 385685076 /nfs/dbraw/zinc/68/50/76/385685076.db2.gz FMVOEHXPKXMISY-UHFFFAOYSA-N 1 2 230.293 -0.209 20 0 BBADLO Cn1nncc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000281648357 385689585 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C[C@H](C(N)=O)[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000283646421 385827563 /nfs/dbraw/zinc/82/75/63/385827563.db2.gz BAEHFZAAVBAQIC-RQJHMYQMSA-N 1 2 240.263 -0.584 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000283646421 385827559 /nfs/dbraw/zinc/82/75/59/385827559.db2.gz BAEHFZAAVBAQIC-RQJHMYQMSA-N 1 2 240.263 -0.584 20 0 BBADLO Cc1c[nH]nc1CN1CC[NH+](CC(N)=O)CC1 ZINC000283728398 385831016 /nfs/dbraw/zinc/83/10/16/385831016.db2.gz BYCOODKNSYHUMH-UHFFFAOYSA-N 1 2 237.307 -0.679 20 0 BBADLO Cn1cc[nH+]c1N1CCN(Cc2c[nH]nn2)CC1 ZINC000283881415 385839645 /nfs/dbraw/zinc/83/96/45/385839645.db2.gz IPYRAZAMIWRVCD-UHFFFAOYSA-N 1 2 247.306 -0.140 20 0 BBADLO O=C1C[N@@H+](Cc2c[nH]c3nccnc23)CCN1 ZINC000283901650 385838747 /nfs/dbraw/zinc/83/87/47/385838747.db2.gz GIAVHOMQAPFKEH-UHFFFAOYSA-N 1 2 231.259 -0.110 20 0 BBADLO O=C1C[N@H+](Cc2c[nH]c3nccnc23)CCN1 ZINC000283901650 385838743 /nfs/dbraw/zinc/83/87/43/385838743.db2.gz GIAVHOMQAPFKEH-UHFFFAOYSA-N 1 2 231.259 -0.110 20 0 BBADLO Cn1cc[nH+]c1CNC(=O)c1cnn(C)n1 ZINC000284066375 385849742 /nfs/dbraw/zinc/84/97/42/385849742.db2.gz RMHLUWARFDFNSN-UHFFFAOYSA-N 1 2 220.236 -0.521 20 0 BBADLO Cn1ncc(C(=O)N2CC[NH+](C3CC3)CC2)n1 ZINC000284100490 385850495 /nfs/dbraw/zinc/85/04/95/385850495.db2.gz YBLXJNNDCCRSMJ-UHFFFAOYSA-N 1 2 235.291 -0.265 20 0 BBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cnn(C)n1 ZINC000284141655 385853872 /nfs/dbraw/zinc/85/38/72/385853872.db2.gz VKNWJDXSKHKVGK-MRVPVSSYSA-N 1 2 234.263 -0.170 20 0 BBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cnn(C)n1 ZINC000284141658 385853560 /nfs/dbraw/zinc/85/35/60/385853560.db2.gz VKNWJDXSKHKVGK-QMMMGPOBSA-N 1 2 234.263 -0.170 20 0 BBADLO COC(=O)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000284265274 385858696 /nfs/dbraw/zinc/85/86/96/385858696.db2.gz MLEXCJDMHYYXOS-SSDOTTSWSA-N 1 2 241.247 -0.285 20 0 BBADLO COC(=O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000284265274 385858691 /nfs/dbraw/zinc/85/86/91/385858691.db2.gz MLEXCJDMHYYXOS-SSDOTTSWSA-N 1 2 241.247 -0.285 20 0 BBADLO COC(=O)C[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000284265279 385860384 /nfs/dbraw/zinc/86/03/84/385860384.db2.gz MLEXCJDMHYYXOS-ZETCQYMHSA-N 1 2 241.247 -0.285 20 0 BBADLO COC(=O)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000284265279 385860381 /nfs/dbraw/zinc/86/03/81/385860381.db2.gz MLEXCJDMHYYXOS-ZETCQYMHSA-N 1 2 241.247 -0.285 20 0 BBADLO Cn1ncc(C(=O)NCCCn2cc[nH+]c2)n1 ZINC000284281003 385860010 /nfs/dbraw/zinc/86/00/10/385860010.db2.gz JUDDIRJDSIPSTG-UHFFFAOYSA-N 1 2 234.263 -0.168 20 0 BBADLO COCCN(CCO)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000284309882 174292588 /nfs/dbraw/zinc/29/25/88/174292588.db2.gz HFJGVKXTQXMUQJ-NSCUHMNNSA-N 1 2 239.275 -0.110 20 0 BBADLO Cc1c[nH]nc1C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000284314976 385861729 /nfs/dbraw/zinc/86/17/29/385861729.db2.gz WAIPCDIRGSHVRV-SECBINFHSA-N 1 2 235.291 -0.072 20 0 BBADLO Cc1c[nH]nc1C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000284314976 385861727 /nfs/dbraw/zinc/86/17/27/385861727.db2.gz WAIPCDIRGSHVRV-SECBINFHSA-N 1 2 235.291 -0.072 20 0 BBADLO Cc1c[nH]nc1C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000284314982 385861673 /nfs/dbraw/zinc/86/16/73/385861673.db2.gz WAIPCDIRGSHVRV-VIFPVBQESA-N 1 2 235.291 -0.072 20 0 BBADLO Cc1c[nH]nc1C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000284314982 385861668 /nfs/dbraw/zinc/86/16/68/385861668.db2.gz WAIPCDIRGSHVRV-VIFPVBQESA-N 1 2 235.291 -0.072 20 0 BBADLO O=C(CO)N1CC[NH+](Cc2ccco2)CC1 ZINC000284412493 385868640 /nfs/dbraw/zinc/86/86/40/385868640.db2.gz QOEKYHMRIBPUAK-UHFFFAOYSA-N 1 2 224.260 -0.084 20 0 BBADLO C[C@H]1OCC[N@@H+](CC2=CCCOC2)[C@@H]1C(N)=O ZINC000284463102 177398071 /nfs/dbraw/zinc/39/80/71/177398071.db2.gz APKPNCRMEADIJJ-KOLCDFICSA-N 1 2 240.303 -0.092 20 0 BBADLO C[C@H]1OCC[N@H+](CC2=CCCOC2)[C@@H]1C(N)=O ZINC000284463102 177398069 /nfs/dbraw/zinc/39/80/69/177398069.db2.gz APKPNCRMEADIJJ-KOLCDFICSA-N 1 2 240.303 -0.092 20 0 BBADLO CN1C[C@@H]2[C@@H](CCC[N@H+]2Cc2cnnn2C)C1=O ZINC000284577400 173189653 /nfs/dbraw/zinc/18/96/53/173189653.db2.gz JDWJJBUIJJQKIV-GHMZBOCLSA-N 1 2 249.318 -0.132 20 0 BBADLO CN1C[C@@H]2[C@@H](CCC[N@@H+]2Cc2cnnn2C)C1=O ZINC000284577400 173189651 /nfs/dbraw/zinc/18/96/51/173189651.db2.gz JDWJJBUIJJQKIV-GHMZBOCLSA-N 1 2 249.318 -0.132 20 0 BBADLO Cn1nccc1CC[N@H+]1CCN(C)C(=O)C1 ZINC000284582957 173082332 /nfs/dbraw/zinc/08/23/32/173082332.db2.gz ZRBZWENRCDVHDJ-UHFFFAOYSA-N 1 2 222.292 -0.263 20 0 BBADLO Cn1nccc1CC[N@@H+]1CCN(C)C(=O)C1 ZINC000284582957 173082329 /nfs/dbraw/zinc/08/23/29/173082329.db2.gz ZRBZWENRCDVHDJ-UHFFFAOYSA-N 1 2 222.292 -0.263 20 0 BBADLO CNC(=O)C1C[NH+](Cc2cn3cccnc3n2)C1 ZINC000284854309 173228064 /nfs/dbraw/zinc/22/80/64/173228064.db2.gz CVOHZQFGIBQXSL-UHFFFAOYSA-N 1 2 245.286 -0.093 20 0 BBADLO CNC(=O)C1C[NH+](Cc2ccn(C)n2)C1 ZINC000284867822 173227028 /nfs/dbraw/zinc/22/70/28/173227028.db2.gz DSCFVJNIAAVFDL-UHFFFAOYSA-N 1 2 208.265 -0.402 20 0 BBADLO CNC(=O)C1C[NH+](Cc2ccnn2C)C1 ZINC000284919348 173228228 /nfs/dbraw/zinc/22/82/28/173228228.db2.gz HNSZCAYMQDFNDB-UHFFFAOYSA-N 1 2 208.265 -0.402 20 0 BBADLO CNC(=O)C1C[NH+](Cc2cncn2C)C1 ZINC000284919634 173226823 /nfs/dbraw/zinc/22/68/23/173226823.db2.gz HPZNGFRPWCLFQL-UHFFFAOYSA-N 1 2 208.265 -0.402 20 0 BBADLO COC(=O)[C@H]([NH2+]CCn1cncn1)C1CC1 ZINC000284959366 518011112 /nfs/dbraw/zinc/01/11/12/518011112.db2.gz JLWLDTFTWCZUOR-SECBINFHSA-N 1 2 224.264 -0.181 20 0 BBADLO COC(=O)[C@@H]([NH2+]CCn1cncn1)C1CC1 ZINC000284959367 387235062 /nfs/dbraw/zinc/23/50/62/387235062.db2.gz JLWLDTFTWCZUOR-VIFPVBQESA-N 1 2 224.264 -0.181 20 0 BBADLO CNS(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000285110873 385898701 /nfs/dbraw/zinc/89/87/01/385898701.db2.gz LUSWTJGIXFXBBT-UHFFFAOYSA-N 1 2 218.282 -0.684 20 0 BBADLO CN(C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000285285296 387255710 /nfs/dbraw/zinc/25/57/10/387255710.db2.gz UZKLSACBAYGNLV-UHFFFAOYSA-N 1 2 203.267 -0.226 20 0 BBADLO CNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000285297697 173217502 /nfs/dbraw/zinc/21/75/02/173217502.db2.gz RGKZLSYMIDYKFE-SECBINFHSA-N 1 2 248.286 -0.478 20 0 BBADLO CNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000285297703 173217809 /nfs/dbraw/zinc/21/78/09/173217809.db2.gz RGKZLSYMIDYKFE-VIFPVBQESA-N 1 2 248.286 -0.478 20 0 BBADLO CNC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000285315914 173214943 /nfs/dbraw/zinc/21/49/43/173214943.db2.gz SOLIRKBKGBQOLR-UHFFFAOYSA-N 1 2 236.275 -0.254 20 0 BBADLO CNC(=O)C(=O)NCCNc1cccc[nH+]1 ZINC000285401440 173215160 /nfs/dbraw/zinc/21/51/60/173215160.db2.gz ZJKDQMMMTNPNLO-UHFFFAOYSA-N 1 2 222.248 -0.644 20 0 BBADLO C[N@@H+](CC(=O)Nc1nncs1)C1(CO)CC1 ZINC000285410736 385923383 /nfs/dbraw/zinc/92/33/83/385923383.db2.gz FVHINKGGPJYSHN-UHFFFAOYSA-N 1 2 242.304 -0.067 20 0 BBADLO C[N@H+](CC(=O)Nc1nncs1)C1(CO)CC1 ZINC000285410736 385923375 /nfs/dbraw/zinc/92/33/75/385923375.db2.gz FVHINKGGPJYSHN-UHFFFAOYSA-N 1 2 242.304 -0.067 20 0 BBADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2nc(N)nc(N)n2)C1 ZINC000285412124 385923999 /nfs/dbraw/zinc/92/39/99/385923999.db2.gz PPTMIQQECCCKIR-KNVOCYPGSA-N 1 2 238.295 -0.355 20 0 BBADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2nc(N)nc(N)n2)C1 ZINC000285412124 385923990 /nfs/dbraw/zinc/92/39/90/385923990.db2.gz PPTMIQQECCCKIR-KNVOCYPGSA-N 1 2 238.295 -0.355 20 0 BBADLO Cn1cncc1C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000285473904 388511387 /nfs/dbraw/zinc/51/13/87/388511387.db2.gz HQGMJGBEXZRERY-NXEZZACHSA-N 1 2 211.265 -0.388 20 0 BBADLO Cn1cncc1C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000285473904 388511381 /nfs/dbraw/zinc/51/13/81/388511381.db2.gz HQGMJGBEXZRERY-NXEZZACHSA-N 1 2 211.265 -0.388 20 0 BBADLO Cn1nccc1C1=CC[N@@H+](CC(N)=O)CC1 ZINC000285513558 385933219 /nfs/dbraw/zinc/93/32/19/385933219.db2.gz GCIPPZUKWOMUIZ-UHFFFAOYSA-N 1 2 220.276 -0.006 20 0 BBADLO Cn1nccc1C1=CC[N@H+](CC(N)=O)CC1 ZINC000285513558 385933210 /nfs/dbraw/zinc/93/32/10/385933210.db2.gz GCIPPZUKWOMUIZ-UHFFFAOYSA-N 1 2 220.276 -0.006 20 0 BBADLO Cn1cc(CC[N@H+]2C[C@H](F)C[C@H]2C(N)=O)cn1 ZINC000285547685 385940143 /nfs/dbraw/zinc/94/01/43/385940143.db2.gz SSZMFVQHYNJXLI-ZJUUUORDSA-N 1 2 240.282 -0.140 20 0 BBADLO Cn1cc(CC[N@@H+]2C[C@H](F)C[C@H]2C(N)=O)cn1 ZINC000285547685 385940139 /nfs/dbraw/zinc/94/01/39/385940139.db2.gz SSZMFVQHYNJXLI-ZJUUUORDSA-N 1 2 240.282 -0.140 20 0 BBADLO C[N@@H+](Cc1cn2cccnc2n1)[C@@H]1COC[C@H]1O ZINC000285547962 385939916 /nfs/dbraw/zinc/93/99/16/385939916.db2.gz MCLGAHMURKWBAA-GHMZBOCLSA-N 1 2 248.286 -0.079 20 0 BBADLO C[N@H+](Cc1cn2cccnc2n1)[C@@H]1COC[C@H]1O ZINC000285547962 385939909 /nfs/dbraw/zinc/93/99/09/385939909.db2.gz MCLGAHMURKWBAA-GHMZBOCLSA-N 1 2 248.286 -0.079 20 0 BBADLO CN(Cc1[nH+]ccn1C)[C@@H]1COC[C@H]1O ZINC000285641990 384179031 /nfs/dbraw/zinc/17/90/31/384179031.db2.gz DHQTYKZXBAHHHO-RKDXNWHRSA-N 1 2 211.265 -0.388 20 0 BBADLO CNS(=O)(=O)NCCc1cccc(C)[nH+]1 ZINC000285656188 538942056 /nfs/dbraw/zinc/94/20/56/538942056.db2.gz OUMFLSUULXRODZ-UHFFFAOYSA-N 1 2 229.305 -0.014 20 0 BBADLO COc1ccc(C[N@@H+](C)[C@@H]2COC[C@H]2O)nn1 ZINC000285727427 188386629 /nfs/dbraw/zinc/38/66/29/188386629.db2.gz XIPPFGYEWKHWAZ-NXEZZACHSA-N 1 2 239.275 -0.323 20 0 BBADLO COc1ccc(C[N@H+](C)[C@@H]2COC[C@H]2O)nn1 ZINC000285727427 188386627 /nfs/dbraw/zinc/38/66/27/188386627.db2.gz XIPPFGYEWKHWAZ-NXEZZACHSA-N 1 2 239.275 -0.323 20 0 BBADLO CCn1cnnc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000285827933 172240175 /nfs/dbraw/zinc/24/01/75/172240175.db2.gz OCCGDLCABCJYPS-MRVPVSSYSA-N 1 2 239.279 -0.433 20 0 BBADLO CCn1cnnc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000285827933 172240173 /nfs/dbraw/zinc/24/01/73/172240173.db2.gz OCCGDLCABCJYPS-MRVPVSSYSA-N 1 2 239.279 -0.433 20 0 BBADLO CCn1cnnc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000285827935 172237998 /nfs/dbraw/zinc/23/79/98/172237998.db2.gz OCCGDLCABCJYPS-QMMMGPOBSA-N 1 2 239.279 -0.433 20 0 BBADLO CCn1cnnc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000285827935 172237996 /nfs/dbraw/zinc/23/79/96/172237996.db2.gz OCCGDLCABCJYPS-QMMMGPOBSA-N 1 2 239.279 -0.433 20 0 BBADLO CN(C)c1n[nH]c(NC(=O)Cn2cc[nH+]c2)n1 ZINC000285867159 188208051 /nfs/dbraw/zinc/20/80/51/188208051.db2.gz BGYMQVKYQXEMGA-UHFFFAOYSA-N 1 2 235.251 -0.294 20 0 BBADLO CNS(=O)(=O)NCCNc1cccc[nH+]1 ZINC000285945230 387295740 /nfs/dbraw/zinc/29/57/40/387295740.db2.gz JTURKRKNGAXOOG-UHFFFAOYSA-N 1 2 230.293 -0.453 20 0 BBADLO COC(=O)c1cnoc1C[N@@H+](C)CCO ZINC000285960157 385984901 /nfs/dbraw/zinc/98/49/01/385984901.db2.gz KORJTIQUEDOYFZ-UHFFFAOYSA-N 1 2 214.221 -0.115 20 0 BBADLO COC(=O)c1cnoc1C[N@H+](C)CCO ZINC000285960157 385984893 /nfs/dbraw/zinc/98/48/93/385984893.db2.gz KORJTIQUEDOYFZ-UHFFFAOYSA-N 1 2 214.221 -0.115 20 0 BBADLO Cn1ccc(C[N@@H+](C)[C@@H]2COC[C@H]2O)n1 ZINC000285966170 388597978 /nfs/dbraw/zinc/59/79/78/388597978.db2.gz NJGNBVQYDIZGBM-NXEZZACHSA-N 1 2 211.265 -0.388 20 0 BBADLO Cn1ccc(C[N@H+](C)[C@@H]2COC[C@H]2O)n1 ZINC000285966170 388597976 /nfs/dbraw/zinc/59/79/76/388597976.db2.gz NJGNBVQYDIZGBM-NXEZZACHSA-N 1 2 211.265 -0.388 20 0 BBADLO Cc1nc(N(C)[C@@H]2COC[C@H]2O)cc[nH+]1 ZINC000286221331 386007753 /nfs/dbraw/zinc/00/77/53/386007753.db2.gz DASZIHDLJZPJEY-RKDXNWHRSA-N 1 2 209.249 -0.019 20 0 BBADLO CN(c1[nH+]cnc(N)c1Cl)[C@@H]1COC[C@H]1O ZINC000286228824 387324622 /nfs/dbraw/zinc/32/46/22/387324622.db2.gz DMSABOZWJVVCPL-PHDIDXHHSA-N 1 2 244.682 -0.092 20 0 BBADLO CN(c1nc[nH+]c(N)c1Cl)[C@@H]1COC[C@H]1O ZINC000286228824 387324614 /nfs/dbraw/zinc/32/46/14/387324614.db2.gz DMSABOZWJVVCPL-PHDIDXHHSA-N 1 2 244.682 -0.092 20 0 BBADLO Cn1nccc1C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000286250636 384047604 /nfs/dbraw/zinc/04/76/04/384047604.db2.gz ZYWOPGHYIHCXRZ-NXEZZACHSA-N 1 2 211.265 -0.388 20 0 BBADLO Cn1nccc1C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000286250636 384047597 /nfs/dbraw/zinc/04/75/97/384047597.db2.gz ZYWOPGHYIHCXRZ-NXEZZACHSA-N 1 2 211.265 -0.388 20 0 BBADLO CCc1nnc(C[N@@H+](C)CCC(N)=O)[nH]1 ZINC000286273781 352083615 /nfs/dbraw/zinc/08/36/15/352083615.db2.gz BZWVTKZRPUFOQI-UHFFFAOYSA-N 1 2 211.269 -0.326 20 0 BBADLO CCc1nnc(C[N@H+](C)CCC(N)=O)[nH]1 ZINC000286273781 352083610 /nfs/dbraw/zinc/08/36/10/352083610.db2.gz BZWVTKZRPUFOQI-UHFFFAOYSA-N 1 2 211.269 -0.326 20 0 BBADLO CN(CCC(N)=O)C(=O)CCn1cc[nH+]c1 ZINC000286298992 386021469 /nfs/dbraw/zinc/02/14/69/386021469.db2.gz VOUCPACUMIHYAH-UHFFFAOYSA-N 1 2 224.264 -0.393 20 0 BBADLO Cc1nnc(NCCC[N@H+]2CCNC(=O)C2)o1 ZINC000286335014 386025133 /nfs/dbraw/zinc/02/51/33/386025133.db2.gz VNVFPUUEDMLHIK-UHFFFAOYSA-N 1 2 239.279 -0.388 20 0 BBADLO Cc1nnc(NCCC[N@@H+]2CCNC(=O)C2)o1 ZINC000286335014 386025126 /nfs/dbraw/zinc/02/51/26/386025126.db2.gz VNVFPUUEDMLHIK-UHFFFAOYSA-N 1 2 239.279 -0.388 20 0 BBADLO C[C@H](CO)N(C)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000286347592 386026187 /nfs/dbraw/zinc/02/61/87/386026187.db2.gz HATCVSPAJMLGEQ-ZCFIWIBFSA-N 1 2 236.279 -0.238 20 0 BBADLO CNS(=O)(=O)NCCc1cc[nH+]cc1C ZINC000286481693 386044248 /nfs/dbraw/zinc/04/42/48/386044248.db2.gz PYAWBNWFTHWWHD-UHFFFAOYSA-N 1 2 229.305 -0.014 20 0 BBADLO CN(c1[nH+]cnc2c1cnn2C)[C@@H]1COC[C@H]1O ZINC000286494005 386044622 /nfs/dbraw/zinc/04/46/22/386044622.db2.gz XOGGXMIRAWYCKL-RKDXNWHRSA-N 1 2 249.274 -0.441 20 0 BBADLO COc1c[nH+]c(NCCO)nc1NCCO ZINC000286896578 175381641 /nfs/dbraw/zinc/38/16/41/175381641.db2.gz JJMPUPDKGMWRRO-UHFFFAOYSA-N 1 2 228.252 -0.706 20 0 BBADLO Cn1ncc(C[NH2+][C@@H]2CCCCNC2=O)n1 ZINC000287073002 387364988 /nfs/dbraw/zinc/36/49/88/387364988.db2.gz BOCLMKFKEOJBSE-SECBINFHSA-N 1 2 223.280 -0.427 20 0 BBADLO Cn1ncc(C[NH2+][C@H]2CCCCNC2=O)n1 ZINC000287073004 387364852 /nfs/dbraw/zinc/36/48/52/387364852.db2.gz BOCLMKFKEOJBSE-VIFPVBQESA-N 1 2 223.280 -0.427 20 0 BBADLO CC(C)N1CC[C@H]([NH2+]Cc2cnn(C)n2)C1=O ZINC000287086844 167026209 /nfs/dbraw/zinc/02/62/09/167026209.db2.gz CNQNEUQJTCAALL-JTQLQIEISA-N 1 2 237.307 -0.086 20 0 BBADLO CC(C)N1CC[C@@H]([NH2+]Cc2cnn(C)n2)C1=O ZINC000287086846 398082128 /nfs/dbraw/zinc/08/21/28/398082128.db2.gz CNQNEUQJTCAALL-SNVBAGLBSA-N 1 2 237.307 -0.086 20 0 BBADLO CN(C(=O)Cn1cc[nH+]c1)[C@@H]1COC[C@H]1O ZINC000287150847 172317518 /nfs/dbraw/zinc/31/75/18/172317518.db2.gz FFFRDBCOAONUMS-RKDXNWHRSA-N 1 2 225.248 -0.899 20 0 BBADLO OCC(CO)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000287362422 183033588 /nfs/dbraw/zinc/03/35/88/183033588.db2.gz QADWIOCKTLUCLE-UHFFFAOYSA-N 1 2 238.291 -0.158 20 0 BBADLO OCC(CO)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000287362422 183033586 /nfs/dbraw/zinc/03/35/86/183033586.db2.gz QADWIOCKTLUCLE-UHFFFAOYSA-N 1 2 238.291 -0.158 20 0 BBADLO CN(C(=O)CCn1cc[nH+]c1)[C@@H]1COC[C@H]1O ZINC000287390924 386117615 /nfs/dbraw/zinc/11/76/15/386117615.db2.gz RRKNPKNNVZUIFZ-NXEZZACHSA-N 1 2 239.275 -0.509 20 0 BBADLO COc1ccncc1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000287609200 175370425 /nfs/dbraw/zinc/37/04/25/175370425.db2.gz DQXQXXOJLGQTJI-AOOOYVTPSA-N 1 2 224.260 -0.372 20 0 BBADLO COc1ccncc1C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000287609200 175370423 /nfs/dbraw/zinc/37/04/23/175370423.db2.gz DQXQXXOJLGQTJI-AOOOYVTPSA-N 1 2 224.260 -0.372 20 0 BBADLO COc1ccncc1C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000287609203 175370661 /nfs/dbraw/zinc/37/06/61/175370661.db2.gz DQXQXXOJLGQTJI-NXEZZACHSA-N 1 2 224.260 -0.372 20 0 BBADLO COc1ccncc1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000287609207 175369480 /nfs/dbraw/zinc/36/94/80/175369480.db2.gz DQXQXXOJLGQTJI-UWVGGRQHSA-N 1 2 224.260 -0.372 20 0 BBADLO COC(=O)[C@H](CF)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000288312933 173795152 /nfs/dbraw/zinc/79/51/52/173795152.db2.gz OCNBAAXTLDDWJM-LURJTMIESA-N 1 2 229.211 -0.041 20 0 BBADLO COC(=O)[C@@H](CF)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000288312934 386184721 /nfs/dbraw/zinc/18/47/21/386184721.db2.gz OCNBAAXTLDDWJM-ZCFIWIBFSA-N 1 2 229.211 -0.041 20 0 BBADLO Cc1nc(N2CC(N3CCNC3=O)C2)cc[nH+]1 ZINC000288874610 187347420 /nfs/dbraw/zinc/34/74/20/187347420.db2.gz GDSBMUOBUOCVBB-UHFFFAOYSA-N 1 2 233.275 -0.001 20 0 BBADLO COc1cc[nH+]c(N2CCOCCN2)n1 ZINC000289152695 175362818 /nfs/dbraw/zinc/36/28/18/175362818.db2.gz PCXNIZZQMYPQJG-UHFFFAOYSA-N 1 2 210.237 -0.174 20 0 BBADLO Cc1cnn(C)c1C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000289158487 386268949 /nfs/dbraw/zinc/26/89/49/386268949.db2.gz DIQPCMZPHFIBKP-JTQLQIEISA-N 1 2 249.318 -0.062 20 0 BBADLO Cc1cnn(C)c1C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000289158487 386268946 /nfs/dbraw/zinc/26/89/46/386268946.db2.gz DIQPCMZPHFIBKP-JTQLQIEISA-N 1 2 249.318 -0.062 20 0 BBADLO Cc1cnn(C)c1C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000289158489 386268119 /nfs/dbraw/zinc/26/81/19/386268119.db2.gz DIQPCMZPHFIBKP-SNVBAGLBSA-N 1 2 249.318 -0.062 20 0 BBADLO Cc1cnn(C)c1C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000289158489 386268116 /nfs/dbraw/zinc/26/81/16/386268116.db2.gz DIQPCMZPHFIBKP-SNVBAGLBSA-N 1 2 249.318 -0.062 20 0 BBADLO Cn1cnc(C(=O)NCCCn2cc[nH+]c2)n1 ZINC000289304795 386282917 /nfs/dbraw/zinc/28/29/17/386282917.db2.gz DCHZUCQSXACYQW-UHFFFAOYSA-N 1 2 234.263 -0.168 20 0 BBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ncn(C)n1 ZINC000289401685 386299653 /nfs/dbraw/zinc/29/96/53/386299653.db2.gz ADCUVSQHNRDAAQ-MRVPVSSYSA-N 1 2 234.263 -0.170 20 0 BBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ncn(C)n1 ZINC000289401687 386297761 /nfs/dbraw/zinc/29/77/61/386297761.db2.gz ADCUVSQHNRDAAQ-QMMMGPOBSA-N 1 2 234.263 -0.170 20 0 BBADLO Cn1ncc(C[NH2+][C@H](C(N)=O)C(C)(C)C)n1 ZINC000289407082 385368222 /nfs/dbraw/zinc/36/82/22/385368222.db2.gz UFRJWPGQPSHVSN-MRVPVSSYSA-N 1 2 225.296 -0.195 20 0 BBADLO Cn1ncc(C[NH2+][C@@H](C(N)=O)C(C)(C)C)n1 ZINC000289407084 385368298 /nfs/dbraw/zinc/36/82/98/385368298.db2.gz UFRJWPGQPSHVSN-QMMMGPOBSA-N 1 2 225.296 -0.195 20 0 BBADLO COCCS(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000289458877 174372395 /nfs/dbraw/zinc/37/23/95/174372395.db2.gz GHLYRDLKKOZKJB-UHFFFAOYSA-N 1 2 245.304 -0.325 20 0 BBADLO CC(C)NS(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000289469792 167125930 /nfs/dbraw/zinc/12/59/30/167125930.db2.gz HGKOMLDCGRPKRZ-UHFFFAOYSA-N 1 2 244.320 -0.059 20 0 BBADLO O=c1nc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)[nH][nH]1 ZINC000289517528 386320505 /nfs/dbraw/zinc/32/05/05/386320505.db2.gz MEYVHIKUBOEIEF-KNVOCYPGSA-N 1 2 222.248 -0.206 20 0 BBADLO O=c1nc(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)[nH][nH]1 ZINC000289517528 386320497 /nfs/dbraw/zinc/32/04/97/386320497.db2.gz MEYVHIKUBOEIEF-KNVOCYPGSA-N 1 2 222.248 -0.206 20 0 BBADLO COC(=O)C[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289520695 386323719 /nfs/dbraw/zinc/32/37/19/386323719.db2.gz VOIVBXAESJIHGK-SSDOTTSWSA-N 1 2 240.263 -0.550 20 0 BBADLO COC(=O)C[N@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289520699 386323587 /nfs/dbraw/zinc/32/35/87/386323587.db2.gz VOIVBXAESJIHGK-ZETCQYMHSA-N 1 2 240.263 -0.550 20 0 BBADLO CNS(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000289602766 386333476 /nfs/dbraw/zinc/33/34/76/386333476.db2.gz QLOXRTNZMIOYFC-UHFFFAOYSA-N 1 2 216.266 -0.837 20 0 BBADLO Cn1cnc(C(=O)N2CC[NH+](C3CC3)CC2)n1 ZINC000289623292 386334983 /nfs/dbraw/zinc/33/49/83/386334983.db2.gz DRMZPZWHPZJYLJ-UHFFFAOYSA-N 1 2 235.291 -0.265 20 0 BBADLO O=S(=O)(C1COC1)N1CCn2c[nH+]cc2C1 ZINC000289700936 182882300 /nfs/dbraw/zinc/88/23/00/182882300.db2.gz WFLTXRVKZHGORM-UHFFFAOYSA-N 1 2 243.288 -0.573 20 0 BBADLO CCNS(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000289721099 170134376 /nfs/dbraw/zinc/13/43/76/170134376.db2.gz XGTOAYWAPXIYFS-UHFFFAOYSA-N 1 2 230.293 -0.447 20 0 BBADLO Cn1cncc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000289799091 386355534 /nfs/dbraw/zinc/35/55/34/386355534.db2.gz MPDAIDHQVFNYNO-JTQLQIEISA-N 1 2 249.318 -0.850 20 0 BBADLO Cn1cncc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000289799094 386355166 /nfs/dbraw/zinc/35/51/66/386355166.db2.gz MPDAIDHQVFNYNO-SNVBAGLBSA-N 1 2 249.318 -0.850 20 0 BBADLO CN(C)S(=O)(=O)CC[NH2+]Cc1ccn(C)n1 ZINC000289802215 172511685 /nfs/dbraw/zinc/51/16/85/172511685.db2.gz ZHTXERVFIZQIOB-UHFFFAOYSA-N 1 2 246.336 -0.599 20 0 BBADLO Cn1cc[nH+]c1CNC(=O)c1cc2n(n1)CCO2 ZINC000289816114 386359306 /nfs/dbraw/zinc/35/93/06/386359306.db2.gz AOMJHWSKCVVCDN-UHFFFAOYSA-N 1 2 247.258 -0.061 20 0 BBADLO Cc1cnn(C)c1C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000289852159 386364483 /nfs/dbraw/zinc/36/44/83/386364483.db2.gz VCAVGOVYIMGSQN-GHMZBOCLSA-N 1 2 225.292 -0.080 20 0 BBADLO Cc1cnn(C)c1C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000289852159 386364479 /nfs/dbraw/zinc/36/44/79/386364479.db2.gz VCAVGOVYIMGSQN-GHMZBOCLSA-N 1 2 225.292 -0.080 20 0 BBADLO Cn1cc(C(=O)N2CC[NH+](C3CC3)CC2)nn1 ZINC000289899883 386368657 /nfs/dbraw/zinc/36/86/57/386368657.db2.gz KHFYWIKGYDBLHC-UHFFFAOYSA-N 1 2 235.291 -0.265 20 0 BBADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cnn(C)n2)C1 ZINC000289908052 385703450 /nfs/dbraw/zinc/70/34/50/385703450.db2.gz NRWDBLQHUIOZRC-MRVPVSSYSA-N 1 2 224.264 -0.190 20 0 BBADLO COC(=O)[C@@H]1CC[N@H+](Cc2cnn(C)n2)C1 ZINC000289908052 385703445 /nfs/dbraw/zinc/70/34/45/385703445.db2.gz NRWDBLQHUIOZRC-MRVPVSSYSA-N 1 2 224.264 -0.190 20 0 BBADLO COC(=O)[C@H]1CC[N@@H+](Cc2cnn(C)n2)C1 ZINC000289909927 385700631 /nfs/dbraw/zinc/70/06/31/385700631.db2.gz NRWDBLQHUIOZRC-QMMMGPOBSA-N 1 2 224.264 -0.190 20 0 BBADLO COC(=O)[C@H]1CC[N@H+](Cc2cnn(C)n2)C1 ZINC000289909927 385700623 /nfs/dbraw/zinc/70/06/23/385700623.db2.gz NRWDBLQHUIOZRC-QMMMGPOBSA-N 1 2 224.264 -0.190 20 0 BBADLO NC(=O)CN1CC[NH+](Cc2cccnc2N)CC1 ZINC000290003742 181232872 /nfs/dbraw/zinc/23/28/72/181232872.db2.gz LKZOUTFXAHIHMP-UHFFFAOYSA-N 1 2 249.318 -0.733 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1CCc1cn[nH]c1 ZINC000290066882 176046445 /nfs/dbraw/zinc/04/64/45/176046445.db2.gz PSEHWPOFLVVIME-MRVPVSSYSA-N 1 2 208.265 -0.228 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1CCc1cn[nH]c1 ZINC000290066882 176046444 /nfs/dbraw/zinc/04/64/44/176046444.db2.gz PSEHWPOFLVVIME-MRVPVSSYSA-N 1 2 208.265 -0.228 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1CCc1cn[nH]c1 ZINC000290066883 177059680 /nfs/dbraw/zinc/05/96/80/177059680.db2.gz PSEHWPOFLVVIME-QMMMGPOBSA-N 1 2 208.265 -0.228 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1CCc1cn[nH]c1 ZINC000290066883 177059679 /nfs/dbraw/zinc/05/96/79/177059679.db2.gz PSEHWPOFLVVIME-QMMMGPOBSA-N 1 2 208.265 -0.228 20 0 BBADLO CN(C)S(=O)(=O)NCc1c[nH+]cn1C ZINC000290069460 538946170 /nfs/dbraw/zinc/94/61/70/538946170.db2.gz CKVQXRGMTFTVOW-UHFFFAOYSA-N 1 2 218.282 -0.684 20 0 BBADLO O=C(Nc1nnc2ccccn21)[C@H]1COCC[NH2+]1 ZINC000290076229 386390820 /nfs/dbraw/zinc/39/08/20/386390820.db2.gz VTFXQCHWBWYZBV-MRVPVSSYSA-N 1 2 247.258 -0.344 20 0 BBADLO O=C(Nc1nnc2ccccn21)[C@@H]1COCC[NH2+]1 ZINC000290076232 386391073 /nfs/dbraw/zinc/39/10/73/386391073.db2.gz VTFXQCHWBWYZBV-QMMMGPOBSA-N 1 2 247.258 -0.344 20 0 BBADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cnn(C)n1 ZINC000290093266 172385599 /nfs/dbraw/zinc/38/55/99/172385599.db2.gz WAXBBYYKLBUYJG-JTQLQIEISA-N 1 2 237.307 -0.132 20 0 BBADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cnn(C)n1 ZINC000290093266 172385598 /nfs/dbraw/zinc/38/55/98/172385598.db2.gz WAXBBYYKLBUYJG-JTQLQIEISA-N 1 2 237.307 -0.132 20 0 BBADLO CC(C)NS(=O)(=O)NCc1c[nH+]cn1C ZINC000290156046 538946001 /nfs/dbraw/zinc/94/60/01/538946001.db2.gz JEKWOKFJCIDXFH-UHFFFAOYSA-N 1 2 232.309 -0.248 20 0 BBADLO CCNS(=O)(=O)NCc1c[nH+]cn1C ZINC000290229151 538110566 /nfs/dbraw/zinc/11/05/66/538110566.db2.gz PLTJPGGQNNGFLZ-UHFFFAOYSA-N 1 2 218.282 -0.636 20 0 BBADLO CCN(C)S(=O)(=O)NCc1c[nH+]cn1C ZINC000290269348 538946114 /nfs/dbraw/zinc/94/61/14/538946114.db2.gz UFQBPNRISDWOEH-UHFFFAOYSA-N 1 2 232.309 -0.294 20 0 BBADLO C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1ncc[nH]1 ZINC000290296224 538946908 /nfs/dbraw/zinc/94/69/08/538946908.db2.gz YIAGPHUZCVEAQW-MRVPVSSYSA-N 1 2 246.336 -0.048 20 0 BBADLO C[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1ncc[nH]1 ZINC000290296225 538946960 /nfs/dbraw/zinc/94/69/60/538946960.db2.gz YIAGPHUZCVEAQW-QMMMGPOBSA-N 1 2 246.336 -0.048 20 0 BBADLO Cc1cn[nH]c1CN1CC[NH+](CCO)CC1 ZINC000290364372 386426076 /nfs/dbraw/zinc/42/60/76/386426076.db2.gz HCOZWHREAZUWQD-UHFFFAOYSA-N 1 2 224.308 -0.172 20 0 BBADLO Cc1cn[nH]c1C[N@@H+](CCO)CCCO ZINC000290384482 386426747 /nfs/dbraw/zinc/42/67/47/386426747.db2.gz IVUZVWVCWYVKSG-UHFFFAOYSA-N 1 2 213.281 -0.105 20 0 BBADLO Cc1cn[nH]c1C[N@H+](CCO)CCCO ZINC000290384482 386426743 /nfs/dbraw/zinc/42/67/43/386426743.db2.gz IVUZVWVCWYVKSG-UHFFFAOYSA-N 1 2 213.281 -0.105 20 0 BBADLO O=C(NC1CC1)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290505548 182094668 /nfs/dbraw/zinc/09/46/68/182094668.db2.gz AZJNWEXWCGPQOC-UHFFFAOYSA-N 1 2 234.259 -0.496 20 0 BBADLO CN1C[C@H](C(=O)N2CCn3c[nH+]cc3C2)CC1=O ZINC000290855457 173191536 /nfs/dbraw/zinc/19/15/36/173191536.db2.gz BALJGWXFOWFKGP-SECBINFHSA-N 1 2 248.286 -0.296 20 0 BBADLO CN1C[C@@H](C(=O)N2CCn3c[nH+]cc3C2)CC1=O ZINC000290855459 173182126 /nfs/dbraw/zinc/18/21/26/173182126.db2.gz BALJGWXFOWFKGP-VIFPVBQESA-N 1 2 248.286 -0.296 20 0 BBADLO CC(=O)N1CC(C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000290907782 188211745 /nfs/dbraw/zinc/21/17/45/188211745.db2.gz IMAMVFYSGPYLQK-UHFFFAOYSA-N 1 2 248.286 -0.296 20 0 BBADLO O=C([C@H]1CCC(=O)N1)N1CCn2c[nH+]cc2C1 ZINC000290923463 386488889 /nfs/dbraw/zinc/48/88/89/386488889.db2.gz KZIXZVDELFPTBE-SECBINFHSA-N 1 2 234.259 -0.496 20 0 BBADLO COC(=O)N[C@@H](C)C(=O)NCc1c[nH+]cn1C ZINC000290949478 386493304 /nfs/dbraw/zinc/49/33/04/386493304.db2.gz BAILDICSVUESPN-ZETCQYMHSA-N 1 2 240.263 -0.219 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)c1cc2n(n1)CCO2 ZINC000290950575 538946694 /nfs/dbraw/zinc/94/66/94/538946694.db2.gz BDOBIHFAZQTYEY-UHFFFAOYSA-N 1 2 247.258 -0.061 20 0 BBADLO Cn1ncc(C(=O)N2CCn3c[nH+]cc3C2)n1 ZINC000290992746 386497566 /nfs/dbraw/zinc/49/75/66/386497566.db2.gz XNKLIXOHWXYLPX-UHFFFAOYSA-N 1 2 232.247 -0.332 20 0 BBADLO Cc1nc(N(CCO)C[C@@H](C)O)cc[nH+]1 ZINC000291068830 385185733 /nfs/dbraw/zinc/18/57/33/385185733.db2.gz GULTULJYWLGQHU-MRVPVSSYSA-N 1 2 211.265 -0.035 20 0 BBADLO Cc1nc(N(CCO)C[C@H](C)O)cc[nH+]1 ZINC000291068831 385184634 /nfs/dbraw/zinc/18/46/34/385184634.db2.gz GULTULJYWLGQHU-QMMMGPOBSA-N 1 2 211.265 -0.035 20 0 BBADLO CCOC(=O)NCC(=O)NCc1c[nH+]cn1C ZINC000291103940 170241850 /nfs/dbraw/zinc/24/18/50/170241850.db2.gz BVQZMKXARXITAW-UHFFFAOYSA-N 1 2 240.263 -0.218 20 0 BBADLO CC[N@H+](Cc1nc(N)nc(N)n1)C[C@@H](C)OC ZINC000291123033 352262007 /nfs/dbraw/zinc/26/20/07/352262007.db2.gz BAPNTOSQPXOCNS-SSDOTTSWSA-N 1 2 240.311 -0.107 20 0 BBADLO CC[N@@H+](Cc1nc(N)nc(N)n1)C[C@@H](C)OC ZINC000291123033 352262004 /nfs/dbraw/zinc/26/20/04/352262004.db2.gz BAPNTOSQPXOCNS-SSDOTTSWSA-N 1 2 240.311 -0.107 20 0 BBADLO CC[N@H+](Cc1nc(N)nc(N)n1)C[C@H](C)OC ZINC000291123036 352262160 /nfs/dbraw/zinc/26/21/60/352262160.db2.gz BAPNTOSQPXOCNS-ZETCQYMHSA-N 1 2 240.311 -0.107 20 0 BBADLO CC[N@@H+](Cc1nc(N)nc(N)n1)C[C@H](C)OC ZINC000291123036 352262155 /nfs/dbraw/zinc/26/21/55/352262155.db2.gz BAPNTOSQPXOCNS-ZETCQYMHSA-N 1 2 240.311 -0.107 20 0 BBADLO COC(=O)N(C)CC(=O)NCc1c[nH+]cn1C ZINC000291164990 386517944 /nfs/dbraw/zinc/51/79/44/386517944.db2.gz IIBARRMCZFLHPC-UHFFFAOYSA-N 1 2 240.263 -0.266 20 0 BBADLO CO[C@H]1COC[C@@H]1NC(=O)c1c[nH+]c(C)[nH]1 ZINC000291209173 398090814 /nfs/dbraw/zinc/09/08/14/398090814.db2.gz NTAOZYDSXCJTJO-IUCAKERBSA-N 1 2 225.248 -0.138 20 0 BBADLO CC(=O)N1CC(C(=O)NCc2c[nH+]cn2C)C1 ZINC000291245096 538947716 /nfs/dbraw/zinc/94/77/16/538947716.db2.gz OOBIICNUQYAURZ-UHFFFAOYSA-N 1 2 236.275 -0.485 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)c1cnn(C)n1 ZINC000291263250 631661314 /nfs/dbraw/zinc/66/13/14/631661314.db2.gz PSFVBUJNMBHOMR-UHFFFAOYSA-N 1 2 220.236 -0.521 20 0 BBADLO CO[C@H]1COC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000291326851 398092605 /nfs/dbraw/zinc/09/26/05/398092605.db2.gz VVDSTAZEYWRBQD-UWVGGRQHSA-N 1 2 239.275 -0.197 20 0 BBADLO COC(=O)[C@H]1C[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000291430623 350020932 /nfs/dbraw/zinc/02/09/32/350020932.db2.gz LJPSOYBLOHLTFN-BDAKNGLRSA-N 1 2 237.259 -0.155 20 0 BBADLO COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1c[nH+]cn1C ZINC000291430624 350020823 /nfs/dbraw/zinc/02/08/23/350020823.db2.gz LJPSOYBLOHLTFN-DTWKUNHWSA-N 1 2 237.259 -0.155 20 0 BBADLO CC(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC000291509700 386554956 /nfs/dbraw/zinc/55/49/56/386554956.db2.gz XCFPJHIPKNNGNR-UHFFFAOYSA-N 1 2 208.265 -0.260 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)C1=NN(C)C(=O)CC1 ZINC000291540109 632651981 /nfs/dbraw/zinc/65/19/81/632651981.db2.gz XJNMWSOPFUKBLD-UHFFFAOYSA-N 1 2 249.274 -0.356 20 0 BBADLO CC[C@H](O)CNC(=O)NCCn1cc[nH+]c1 ZINC000291586641 398096698 /nfs/dbraw/zinc/09/66/98/398096698.db2.gz FUEWCZMYEODKDR-VIFPVBQESA-N 1 2 226.280 -0.047 20 0 BBADLO Cc1c[nH]nc1C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000291624323 386561142 /nfs/dbraw/zinc/56/11/42/386561142.db2.gz RVCMAHZLNONRMG-NXEZZACHSA-N 1 2 211.265 -0.090 20 0 BBADLO Cc1c[nH]nc1C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000291624323 386561138 /nfs/dbraw/zinc/56/11/38/386561138.db2.gz RVCMAHZLNONRMG-NXEZZACHSA-N 1 2 211.265 -0.090 20 0 BBADLO Cc1cn[nH]c1C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000291624323 386561130 /nfs/dbraw/zinc/56/11/30/386561130.db2.gz RVCMAHZLNONRMG-NXEZZACHSA-N 1 2 211.265 -0.090 20 0 BBADLO Cc1cn[nH]c1C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000291624323 386561125 /nfs/dbraw/zinc/56/11/25/386561125.db2.gz RVCMAHZLNONRMG-NXEZZACHSA-N 1 2 211.265 -0.090 20 0 BBADLO CO[C@H]1COC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000291807742 386585714 /nfs/dbraw/zinc/58/57/14/386585714.db2.gz COWJZERKVSFEMP-AQHVTNBVSA-N 1 2 237.259 -0.047 20 0 BBADLO O=c1nc(C[N@H+]2CC[C@@H](n3cccn3)C2)[nH][nH]1 ZINC000291920769 183010342 /nfs/dbraw/zinc/01/03/42/183010342.db2.gz SGSLYPVHLRFVAC-MRVPVSSYSA-N 1 2 234.263 -0.259 20 0 BBADLO O=c1nc(C[N@@H+]2CC[C@@H](n3cccn3)C2)[nH][nH]1 ZINC000291920769 183010339 /nfs/dbraw/zinc/01/03/39/183010339.db2.gz SGSLYPVHLRFVAC-MRVPVSSYSA-N 1 2 234.263 -0.259 20 0 BBADLO O=c1nc(C[N@H+]2CC[C@H](n3cccn3)C2)[nH][nH]1 ZINC000291920773 183010646 /nfs/dbraw/zinc/01/06/46/183010646.db2.gz SGSLYPVHLRFVAC-QMMMGPOBSA-N 1 2 234.263 -0.259 20 0 BBADLO O=c1nc(C[N@@H+]2CC[C@H](n3cccn3)C2)[nH][nH]1 ZINC000291920773 183010644 /nfs/dbraw/zinc/01/06/44/183010644.db2.gz SGSLYPVHLRFVAC-QMMMGPOBSA-N 1 2 234.263 -0.259 20 0 BBADLO COC(=O)C1(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000292058541 347508179 /nfs/dbraw/zinc/50/81/79/347508179.db2.gz RYVPYFBYRCGEEV-UHFFFAOYSA-N 1 2 237.259 -0.011 20 0 BBADLO COCC(C)(C)[N@@H+](C)Cc1nc(N)nc(N)n1 ZINC000292069988 174080033 /nfs/dbraw/zinc/08/00/33/174080033.db2.gz CKUAMMGTYPTHQY-UHFFFAOYSA-N 1 2 240.311 -0.107 20 0 BBADLO COCC(C)(C)[N@H+](C)Cc1nc(N)nc(N)n1 ZINC000292069988 174080031 /nfs/dbraw/zinc/08/00/31/174080031.db2.gz CKUAMMGTYPTHQY-UHFFFAOYSA-N 1 2 240.311 -0.107 20 0 BBADLO O=C(NCC1CC1)C(=O)N1CCn2c[nH+]cc2C1 ZINC000292186194 182137625 /nfs/dbraw/zinc/13/76/25/182137625.db2.gz YPRNNPBFRMERHZ-UHFFFAOYSA-N 1 2 248.286 -0.249 20 0 BBADLO CCCNS(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000292188327 169270469 /nfs/dbraw/zinc/27/04/69/169270469.db2.gz FVINHZVMNCJQHU-UHFFFAOYSA-N 1 2 244.320 -0.057 20 0 BBADLO CCCNS(=O)(=O)NCc1c[nH+]cn1C ZINC000292241853 385296663 /nfs/dbraw/zinc/29/66/63/385296663.db2.gz JAXLLEOTHQKBES-UHFFFAOYSA-N 1 2 232.309 -0.246 20 0 BBADLO C[C@H](O)CN(C)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000292255668 386641157 /nfs/dbraw/zinc/64/11/57/386641157.db2.gz HMLFBWKSXJKREQ-LURJTMIESA-N 1 2 236.279 -0.238 20 0 BBADLO C[C@@H](O)CN(C)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000292255669 386641540 /nfs/dbraw/zinc/64/15/40/386641540.db2.gz HMLFBWKSXJKREQ-ZCFIWIBFSA-N 1 2 236.279 -0.238 20 0 BBADLO CNC(=O)[C@H](C)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000292316514 173303941 /nfs/dbraw/zinc/30/39/41/173303941.db2.gz OQIMPFURWUNTQU-YFKPBYRVSA-N 1 2 249.278 -0.508 20 0 BBADLO CNC(=O)[C@H](C)C[N@@H+](C)Cc1nnc(C)[nH]1 ZINC000292400070 173301505 /nfs/dbraw/zinc/30/15/05/173301505.db2.gz JHCVSRDBCUYVHN-SSDOTTSWSA-N 1 2 225.296 -0.073 20 0 BBADLO CNC(=O)[C@H](C)C[N@H+](C)Cc1nnc(C)[nH]1 ZINC000292400070 173301504 /nfs/dbraw/zinc/30/15/04/173301504.db2.gz JHCVSRDBCUYVHN-SSDOTTSWSA-N 1 2 225.296 -0.073 20 0 BBADLO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1nnc(C)[nH]1 ZINC000292400074 173294080 /nfs/dbraw/zinc/29/40/80/173294080.db2.gz JHCVSRDBCUYVHN-ZETCQYMHSA-N 1 2 225.296 -0.073 20 0 BBADLO CNC(=O)[C@@H](C)C[N@H+](C)Cc1nnc(C)[nH]1 ZINC000292400074 173294079 /nfs/dbraw/zinc/29/40/79/173294079.db2.gz JHCVSRDBCUYVHN-ZETCQYMHSA-N 1 2 225.296 -0.073 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)NCC(F)(F)CO ZINC000292459973 384041984 /nfs/dbraw/zinc/04/19/84/384041984.db2.gz XQPITRLPUNHGTH-UHFFFAOYSA-N 1 2 248.233 -0.153 20 0 BBADLO COc1cc[nH+]cc1CNC(=O)NCCO ZINC000292653973 175369799 /nfs/dbraw/zinc/36/97/99/175369799.db2.gz PHXZBLGNDRBQRO-UHFFFAOYSA-N 1 2 225.248 -0.118 20 0 BBADLO CCn1nc(C)c(C(=O)N2CC[NH+](C)CC2)n1 ZINC000292674888 172242180 /nfs/dbraw/zinc/24/21/80/172242180.db2.gz LXTSYTYQZBLZBC-UHFFFAOYSA-N 1 2 237.307 -0.006 20 0 BBADLO COc1cc[nH+]cc1CNC(=O)C(=O)NC1CC1 ZINC000292706171 175369383 /nfs/dbraw/zinc/36/93/83/175369383.db2.gz OKLJPYZIXJEPDK-UHFFFAOYSA-N 1 2 249.270 -0.015 20 0 BBADLO Cc1cc(C[N@H+](C)[C@@H]2COC[C@H]2O)ncn1 ZINC000292756325 386722087 /nfs/dbraw/zinc/72/20/87/386722087.db2.gz HXTUEJNTODNALW-GHMZBOCLSA-N 1 2 223.276 -0.023 20 0 BBADLO Cc1cc(C[N@@H+](C)[C@@H]2COC[C@H]2O)ncn1 ZINC000292756325 386722083 /nfs/dbraw/zinc/72/20/83/386722083.db2.gz HXTUEJNTODNALW-GHMZBOCLSA-N 1 2 223.276 -0.023 20 0 BBADLO CC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)C(N)=O ZINC000292887831 386742258 /nfs/dbraw/zinc/74/22/58/386742258.db2.gz QFAICUZFKXNEEY-LURJTMIESA-N 1 2 210.237 -0.288 20 0 BBADLO CC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)C(N)=O ZINC000292889007 170883777 /nfs/dbraw/zinc/88/37/77/170883777.db2.gz QFAICUZFKXNEEY-ZCFIWIBFSA-N 1 2 210.237 -0.288 20 0 BBADLO CNS(=O)(=O)NCc1c[nH+]ccc1OC ZINC000292925151 386752542 /nfs/dbraw/zinc/75/25/42/386752542.db2.gz HIFSWJUHTGARII-UHFFFAOYSA-N 1 2 231.277 -0.356 20 0 BBADLO CCCNS(=O)(=O)NCCn1cc[nH+]c1 ZINC000292951255 169271266 /nfs/dbraw/zinc/27/12/66/169271266.db2.gz JVVSOPZFDHAUFJ-UHFFFAOYSA-N 1 2 232.309 -0.283 20 0 BBADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1nc(N)nc(N)n1 ZINC000293047312 177271289 /nfs/dbraw/zinc/27/12/89/177271289.db2.gz RFJJZXCYLBZFKN-NTSWFWBYSA-N 1 2 208.269 -0.124 20 0 BBADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000293047312 177271287 /nfs/dbraw/zinc/27/12/87/177271287.db2.gz RFJJZXCYLBZFKN-NTSWFWBYSA-N 1 2 208.269 -0.124 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2nc(N)nc(N)n2)[C@@H]1C ZINC000293047316 176311936 /nfs/dbraw/zinc/31/19/36/176311936.db2.gz RFJJZXCYLBZFKN-PHDIDXHHSA-N 1 2 208.269 -0.124 20 0 BBADLO C[C@@H]1C[N@H+](Cc2nc(N)nc(N)n2)[C@@H]1C ZINC000293047316 176311934 /nfs/dbraw/zinc/31/19/34/176311934.db2.gz RFJJZXCYLBZFKN-PHDIDXHHSA-N 1 2 208.269 -0.124 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2nc(N)nc(N)n2)[C@H]1C ZINC000293047319 388386413 /nfs/dbraw/zinc/38/64/13/388386413.db2.gz RFJJZXCYLBZFKN-RITPCOANSA-N 1 2 208.269 -0.124 20 0 BBADLO C[C@@H]1C[N@H+](Cc2nc(N)nc(N)n2)[C@H]1C ZINC000293047319 388386410 /nfs/dbraw/zinc/38/64/10/388386410.db2.gz RFJJZXCYLBZFKN-RITPCOANSA-N 1 2 208.269 -0.124 20 0 BBADLO C[C@H]1C[N@@H+](Cc2nc(N)nc(N)n2)[C@H]1C ZINC000293047323 177270514 /nfs/dbraw/zinc/27/05/14/177270514.db2.gz RFJJZXCYLBZFKN-WDSKDSINSA-N 1 2 208.269 -0.124 20 0 BBADLO C[C@H]1C[N@H+](Cc2nc(N)nc(N)n2)[C@H]1C ZINC000293047323 177270513 /nfs/dbraw/zinc/27/05/13/177270513.db2.gz RFJJZXCYLBZFKN-WDSKDSINSA-N 1 2 208.269 -0.124 20 0 BBADLO CCn1ncc(C(=O)NCc2[nH+]ccn2C)n1 ZINC000293087779 172253593 /nfs/dbraw/zinc/25/35/93/172253593.db2.gz NOPHIFUGUJPFFV-UHFFFAOYSA-N 1 2 234.263 -0.039 20 0 BBADLO C[C@H]([NH2+]Cc1cnn(C)n1)C(=O)N1CCCC1 ZINC000293174140 387962626 /nfs/dbraw/zinc/96/26/26/387962626.db2.gz GTFHFMVQFCNNBZ-VIFPVBQESA-N 1 2 237.307 -0.084 20 0 BBADLO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC000293184994 387970517 /nfs/dbraw/zinc/97/05/17/387970517.db2.gz HOSIIEKNOTYWQW-MRVPVSSYSA-N 1 2 225.296 -0.229 20 0 BBADLO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC000293184998 387970324 /nfs/dbraw/zinc/97/03/24/387970324.db2.gz HOSIIEKNOTYWQW-QMMMGPOBSA-N 1 2 225.296 -0.229 20 0 BBADLO COC(=O)N1CC([NH2+]Cc2cnn(C)n2)C1 ZINC000293245700 386780502 /nfs/dbraw/zinc/78/05/02/386780502.db2.gz LORFJPKFJKXHQF-UHFFFAOYSA-N 1 2 225.252 -0.645 20 0 BBADLO CNC(=O)C[NH2+][C@@](C)(C(N)=O)c1ccccc1 ZINC000293313597 173277937 /nfs/dbraw/zinc/27/79/37/173277937.db2.gz VSSCWUQOSUJFMQ-GFCCVEGCSA-N 1 2 235.287 -0.277 20 0 BBADLO CNC(=O)C[NH2+][C@](C)(C(N)=O)c1ccccc1 ZINC000293313612 173278619 /nfs/dbraw/zinc/27/86/19/173278619.db2.gz VSSCWUQOSUJFMQ-LBPRGKRZSA-N 1 2 235.287 -0.277 20 0 BBADLO CCc1nocc1C[N@@H+](C)CC(=O)NC(N)=O ZINC000293442886 172092825 /nfs/dbraw/zinc/09/28/25/172092825.db2.gz OTJHFXLMBGTOQI-UHFFFAOYSA-N 1 2 240.263 -0.136 20 0 BBADLO CCc1nocc1C[N@H+](C)CC(=O)NC(N)=O ZINC000293442886 172092823 /nfs/dbraw/zinc/09/28/23/172092823.db2.gz OTJHFXLMBGTOQI-UHFFFAOYSA-N 1 2 240.263 -0.136 20 0 BBADLO Cn1ncc(C[NH2+]C[C@H](O)C(F)(F)F)n1 ZINC000293462450 388389529 /nfs/dbraw/zinc/38/95/29/388389529.db2.gz DGOVDEOQTMMTCI-LURJTMIESA-N 1 2 224.186 -0.172 20 0 BBADLO Cn1ncc(C[NH2+]C[C@@H](O)C(F)(F)F)n1 ZINC000293462452 388389954 /nfs/dbraw/zinc/38/99/54/388389954.db2.gz DGOVDEOQTMMTCI-ZCFIWIBFSA-N 1 2 224.186 -0.172 20 0 BBADLO CCn1ncc(C(=O)NCCn2cc[nH+]c2)n1 ZINC000293473107 172252560 /nfs/dbraw/zinc/25/25/60/172252560.db2.gz LXSGNHLYALVBBT-UHFFFAOYSA-N 1 2 234.263 -0.076 20 0 BBADLO Cc1[nH]c(C(=O)NC[C@H]2CC[C@@H](CO)O2)c[nH+]1 ZINC000293563558 386839643 /nfs/dbraw/zinc/83/96/43/386839643.db2.gz CYMPZAAPUVCBJN-BDAKNGLRSA-N 1 2 239.275 -0.012 20 0 BBADLO Cn1ncc(C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)n1 ZINC000293650782 180817037 /nfs/dbraw/zinc/81/70/37/180817037.db2.gz SJTGUIHSDRYFOW-MRVPVSSYSA-N 1 2 235.291 -0.332 20 0 BBADLO Cn1ncc(C[NH2+][C@H]2CC(=O)N(C3CC3)C2)n1 ZINC000293650784 386854344 /nfs/dbraw/zinc/85/43/44/386854344.db2.gz SJTGUIHSDRYFOW-QMMMGPOBSA-N 1 2 235.291 -0.332 20 0 BBADLO Cn1ncc(C[NH2+][C@@H]2CC(=O)N(C)C2)n1 ZINC000293683011 173194948 /nfs/dbraw/zinc/19/49/48/173194948.db2.gz VTGAYYYRRMTSCM-SSDOTTSWSA-N 1 2 209.253 -0.865 20 0 BBADLO Cn1ncc(C[NH2+][C@H]2CC(=O)N(C)C2)n1 ZINC000293683013 173186500 /nfs/dbraw/zinc/18/65/00/173186500.db2.gz VTGAYYYRRMTSCM-ZETCQYMHSA-N 1 2 209.253 -0.865 20 0 BBADLO CC(C)N1C[C@H]([NH2+]Cc2cnn(C)n2)CC1=O ZINC000293738480 167032889 /nfs/dbraw/zinc/03/28/89/167032889.db2.gz ZWSWWUBUYSUFOO-SECBINFHSA-N 1 2 237.307 -0.086 20 0 BBADLO CC(C)N1C[C@@H]([NH2+]Cc2cnn(C)n2)CC1=O ZINC000293738482 167031285 /nfs/dbraw/zinc/03/12/85/167031285.db2.gz ZWSWWUBUYSUFOO-VIFPVBQESA-N 1 2 237.307 -0.086 20 0 BBADLO CN(C)[C@H](C(=O)N1CC(O)C1)c1c[nH+]cn1C ZINC000293862702 384074439 /nfs/dbraw/zinc/07/44/39/384074439.db2.gz XUKNZTAYTXIOBM-JTQLQIEISA-N 1 2 238.291 -0.774 20 0 BBADLO CN(C)[C@@H](C(=O)N1CC(O)C1)c1c[nH+]cn1C ZINC000293862705 384073709 /nfs/dbraw/zinc/07/37/09/384073709.db2.gz XUKNZTAYTXIOBM-SNVBAGLBSA-N 1 2 238.291 -0.774 20 0 BBADLO CCn1ncc(C(=O)NCc2[nH]cc[nH+]2)n1 ZINC000293887309 172253606 /nfs/dbraw/zinc/25/36/06/172253606.db2.gz VTICNIWPRLWYQZ-UHFFFAOYSA-N 1 2 220.236 -0.049 20 0 BBADLO COC(=O)[C@@H](CNC(=O)c1c[nH+]c(C)[nH]1)OC ZINC000293942976 487771217 /nfs/dbraw/zinc/77/12/17/487771217.db2.gz INTZLHMDHWEGFK-MRVPVSSYSA-N 1 2 241.247 -0.364 20 0 BBADLO COC(=O)[C@H](CNC(=O)c1c[nH+]c(C)[nH]1)OC ZINC000293942978 487771052 /nfs/dbraw/zinc/77/10/52/487771052.db2.gz INTZLHMDHWEGFK-QMMMGPOBSA-N 1 2 241.247 -0.364 20 0 BBADLO O=C(c1cc(F)c[nH]1)N1CC[NH+](CCO)CC1 ZINC000294048147 385794010 /nfs/dbraw/zinc/79/40/10/385794010.db2.gz MEKMWJQKMULDNR-UHFFFAOYSA-N 1 2 241.266 -0.096 20 0 BBADLO CCNC(=O)NCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000294102295 170079758 /nfs/dbraw/zinc/07/97/58/170079758.db2.gz RCYNTQONXOYLGW-UHFFFAOYSA-N 1 2 239.279 -0.233 20 0 BBADLO COc1nccnc1C[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000294151446 487773456 /nfs/dbraw/zinc/77/34/56/487773456.db2.gz HMICDQKZVNOLAG-MRVPVSSYSA-N 1 2 236.275 -0.195 20 0 BBADLO COc1nccnc1C[NH2+][C@H]1CC(=O)N(C)C1 ZINC000294151449 487773598 /nfs/dbraw/zinc/77/35/98/487773598.db2.gz HMICDQKZVNOLAG-QMMMGPOBSA-N 1 2 236.275 -0.195 20 0 BBADLO CNC(=O)[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000294176114 173302218 /nfs/dbraw/zinc/30/22/18/173302218.db2.gz MNRVZIKTUXJKML-YFKPBYRVSA-N 1 2 210.237 -0.418 20 0 BBADLO C[C@@H](O)CNc1cc(N2CC[C@H](O)C2)[nH+]cn1 ZINC000294387782 385844890 /nfs/dbraw/zinc/84/48/90/385844890.db2.gz MMVUWCIOANPWNV-BDAKNGLRSA-N 1 2 238.291 -0.160 20 0 BBADLO C[C@@H](O)CNc1cc(N2CC[C@H](O)C2)nc[nH+]1 ZINC000294387782 385844889 /nfs/dbraw/zinc/84/48/89/385844889.db2.gz MMVUWCIOANPWNV-BDAKNGLRSA-N 1 2 238.291 -0.160 20 0 BBADLO C[C@H](O)CNc1cc(N2CC[C@@H](O)C2)[nH+]cn1 ZINC000294387786 385844865 /nfs/dbraw/zinc/84/48/65/385844865.db2.gz MMVUWCIOANPWNV-DTWKUNHWSA-N 1 2 238.291 -0.160 20 0 BBADLO C[C@H](O)CNc1cc(N2CC[C@@H](O)C2)nc[nH+]1 ZINC000294387786 385844863 /nfs/dbraw/zinc/84/48/63/385844863.db2.gz MMVUWCIOANPWNV-DTWKUNHWSA-N 1 2 238.291 -0.160 20 0 BBADLO C[C@H](O)CNc1cc(N2CC[C@H](O)C2)[nH+]cn1 ZINC000294387790 385844802 /nfs/dbraw/zinc/84/48/02/385844802.db2.gz MMVUWCIOANPWNV-IUCAKERBSA-N 1 2 238.291 -0.160 20 0 BBADLO C[C@H](O)CNc1cc(N2CC[C@H](O)C2)nc[nH+]1 ZINC000294387790 385844801 /nfs/dbraw/zinc/84/48/01/385844801.db2.gz MMVUWCIOANPWNV-IUCAKERBSA-N 1 2 238.291 -0.160 20 0 BBADLO C[C@@H](O)CNc1cc(N2CC[C@@H](O)C2)[nH+]cn1 ZINC000294387794 385844996 /nfs/dbraw/zinc/84/49/96/385844996.db2.gz MMVUWCIOANPWNV-RKDXNWHRSA-N 1 2 238.291 -0.160 20 0 BBADLO C[C@@H](O)CNc1cc(N2CC[C@@H](O)C2)nc[nH+]1 ZINC000294387794 385844992 /nfs/dbraw/zinc/84/49/92/385844992.db2.gz MMVUWCIOANPWNV-RKDXNWHRSA-N 1 2 238.291 -0.160 20 0 BBADLO C[C@@H](O)CNc1cc(N(C)CC(N)=O)[nH+]cn1 ZINC000294492060 385858100 /nfs/dbraw/zinc/85/81/00/385858100.db2.gz SEMVBFIHBVQGJS-SSDOTTSWSA-N 1 2 239.279 -0.809 20 0 BBADLO C[C@@H](O)CNc1cc(N(C)CC(N)=O)nc[nH+]1 ZINC000294492060 385858097 /nfs/dbraw/zinc/85/80/97/385858097.db2.gz SEMVBFIHBVQGJS-SSDOTTSWSA-N 1 2 239.279 -0.809 20 0 BBADLO C[C@H](O)CNc1cc(N(C)CC(N)=O)[nH+]cn1 ZINC000294492061 385858001 /nfs/dbraw/zinc/85/80/01/385858001.db2.gz SEMVBFIHBVQGJS-ZETCQYMHSA-N 1 2 239.279 -0.809 20 0 BBADLO C[C@H](O)CNc1cc(N(C)CC(N)=O)nc[nH+]1 ZINC000294492061 385857999 /nfs/dbraw/zinc/85/79/99/385857999.db2.gz SEMVBFIHBVQGJS-ZETCQYMHSA-N 1 2 239.279 -0.809 20 0 BBADLO CNS(=O)(=O)NCCc1[nH+]cccc1C ZINC000295976788 386117831 /nfs/dbraw/zinc/11/78/31/386117831.db2.gz IYDHUVSETBBYAW-UHFFFAOYSA-N 1 2 229.305 -0.014 20 0 BBADLO CC(C)[NH+]1CC(NC(=O)c2ncn[nH]2)C1 ZINC000297108947 384259984 /nfs/dbraw/zinc/25/99/84/384259984.db2.gz OCMJSLDZXLEAAI-UHFFFAOYSA-N 1 2 209.253 -0.373 20 0 BBADLO CC(C)[NH+]1CC(NC(=O)c2nnc[nH]2)C1 ZINC000297108947 384259979 /nfs/dbraw/zinc/25/99/79/384259979.db2.gz OCMJSLDZXLEAAI-UHFFFAOYSA-N 1 2 209.253 -0.373 20 0 BBADLO CC(C)[NH+]1CC(NC(=O)c2ncn(C)n2)C1 ZINC000297160355 386227532 /nfs/dbraw/zinc/22/75/32/386227532.db2.gz SJZVUOMMSSNZCA-UHFFFAOYSA-N 1 2 223.280 -0.363 20 0 BBADLO CC(C)[NH+]1CC(NC(=O)c2cnn(C)n2)C1 ZINC000297189360 386230259 /nfs/dbraw/zinc/23/02/59/386230259.db2.gz VDRVAFCBODCSOX-UHFFFAOYSA-N 1 2 223.280 -0.363 20 0 BBADLO N#Cc1ccnc(NC[C@@H]2C[NH+]3CCN2CC3)n1 ZINC000297506515 181157207 /nfs/dbraw/zinc/15/72/07/181157207.db2.gz NMCCOPAZVWUVFB-LLVKDONJSA-N 1 2 244.302 -0.240 20 0 BBADLO N#Cc1ccnc(NC[C@H]2C[NH+]3CCN2CC3)n1 ZINC000297506521 181157250 /nfs/dbraw/zinc/15/72/50/181157250.db2.gz NMCCOPAZVWUVFB-NSHDSACASA-N 1 2 244.302 -0.240 20 0 BBADLO O=S(=O)(NCCn1cc[nH+]c1)N1CCCC1 ZINC000298140362 384881056 /nfs/dbraw/zinc/88/10/56/384881056.db2.gz RWTIXLDYCMAHNP-UHFFFAOYSA-N 1 2 244.320 -0.187 20 0 BBADLO CN(C)c1ccc(CNS(N)(=O)=O)c[nH+]1 ZINC000298319999 386322256 /nfs/dbraw/zinc/32/22/56/386322256.db2.gz LAIGLPPQIRJEGT-UHFFFAOYSA-N 1 2 230.293 -0.559 20 0 BBADLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)N(C)C ZINC000298509915 388438362 /nfs/dbraw/zinc/43/83/62/388438362.db2.gz POQHZOITGPLJBJ-MRVPVSSYSA-N 1 2 232.309 -0.332 20 0 BBADLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)N(C)C ZINC000298509920 388437901 /nfs/dbraw/zinc/43/79/01/388437901.db2.gz POQHZOITGPLJBJ-QMMMGPOBSA-N 1 2 232.309 -0.332 20 0 BBADLO COC(=O)c1ccc(C[N@@H+](C)CC(N)=O)o1 ZINC000298699288 386374786 /nfs/dbraw/zinc/37/47/86/386374786.db2.gz GNQGUDAFRRYEGA-UHFFFAOYSA-N 1 2 226.232 -0.017 20 0 BBADLO COC(=O)c1ccc(C[N@H+](C)CC(N)=O)o1 ZINC000298699288 386374781 /nfs/dbraw/zinc/37/47/81/386374781.db2.gz GNQGUDAFRRYEGA-UHFFFAOYSA-N 1 2 226.232 -0.017 20 0 BBADLO COCC[NH+]1CCN(C(=O)c2cn[nH]c2)CC1 ZINC000298701250 174308759 /nfs/dbraw/zinc/30/87/59/174308759.db2.gz GFPPSLBVFZEFBV-UHFFFAOYSA-N 1 2 238.291 -0.186 20 0 BBADLO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(N)=O ZINC000299047553 167071238 /nfs/dbraw/zinc/07/12/38/167071238.db2.gz PBMUNUBOTIHENC-ZETCQYMHSA-N 1 2 244.295 -0.974 20 0 BBADLO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+](C)CC(N)=O ZINC000299047553 167071235 /nfs/dbraw/zinc/07/12/35/167071235.db2.gz PBMUNUBOTIHENC-ZETCQYMHSA-N 1 2 244.295 -0.974 20 0 BBADLO C[N@@H+](CC(N)=O)CC(=O)NCc1ccccc1 ZINC000299074408 386408899 /nfs/dbraw/zinc/40/88/99/386408899.db2.gz YQTAEFIEZYGXGB-UHFFFAOYSA-N 1 2 235.287 -0.280 20 0 BBADLO C[N@H+](CC(N)=O)CC(=O)NCc1ccccc1 ZINC000299074408 386408892 /nfs/dbraw/zinc/40/88/92/386408892.db2.gz YQTAEFIEZYGXGB-UHFFFAOYSA-N 1 2 235.287 -0.280 20 0 BBADLO COC(=O)NCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000299161983 386422690 /nfs/dbraw/zinc/42/26/90/386422690.db2.gz SVLMFQVYFBWRQU-MRVPVSSYSA-N 1 2 240.263 -0.256 20 0 BBADLO CC(=O)NCC(=O)NCCNc1cccc[nH+]1 ZINC000299205049 188216125 /nfs/dbraw/zinc/21/61/25/188216125.db2.gz BIKFENAEQQROPO-UHFFFAOYSA-N 1 2 236.275 -0.254 20 0 BBADLO CCCNC(=O)CNC(=O)CCn1cc[nH+]c1 ZINC000299543117 169223852 /nfs/dbraw/zinc/22/38/52/169223852.db2.gz BLWXFWAXQFKAMM-UHFFFAOYSA-N 1 2 238.291 -0.084 20 0 BBADLO CNC(=O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC000299593949 173264460 /nfs/dbraw/zinc/26/44/60/173264460.db2.gz LKHCQNJHYJHBKY-UHFFFAOYSA-N 1 2 224.264 -0.522 20 0 BBADLO CC(C)NC(=O)CNC(=O)CCn1cc[nH+]c1 ZINC000299595885 167054275 /nfs/dbraw/zinc/05/42/75/167054275.db2.gz FOFBYHZJFIKRPM-UHFFFAOYSA-N 1 2 238.291 -0.086 20 0 BBADLO CNC(=O)CN(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC000299603331 173272011 /nfs/dbraw/zinc/27/20/11/173272011.db2.gz MXASYTZLILWEIU-UHFFFAOYSA-N 1 2 249.318 -0.353 20 0 BBADLO CNC(=O)CN(C)c1ncnc2c1C[N@H+](C)CC2 ZINC000299603331 173272009 /nfs/dbraw/zinc/27/20/09/173272009.db2.gz MXASYTZLILWEIU-UHFFFAOYSA-N 1 2 249.318 -0.353 20 0 BBADLO O=C(CCn1cc[nH+]c1)NCC(=O)NC1CC1 ZINC000299628476 386474713 /nfs/dbraw/zinc/47/47/13/386474713.db2.gz RUQICDWVRRMWFY-UHFFFAOYSA-N 1 2 236.275 -0.332 20 0 BBADLO C[C@H](CNC(=O)c1cnc[nH]1)[NH+]1CCOCC1 ZINC000299629054 386474504 /nfs/dbraw/zinc/47/45/04/386474504.db2.gz KWUZBBMRZGGRJH-SECBINFHSA-N 1 2 238.291 -0.140 20 0 BBADLO C[C@@H](CNC(=O)c1cnc[nH]1)[NH+]1CCOCC1 ZINC000299629058 386476029 /nfs/dbraw/zinc/47/60/29/386476029.db2.gz KWUZBBMRZGGRJH-VIFPVBQESA-N 1 2 238.291 -0.140 20 0 BBADLO CC(C)(CNC(=O)CCn1cc[nH+]c1)C(N)=O ZINC000299692632 386481264 /nfs/dbraw/zinc/48/12/64/386481264.db2.gz WPOIJCOHZIPANC-UHFFFAOYSA-N 1 2 238.291 -0.099 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cnc[nH]1 ZINC000299692830 386480686 /nfs/dbraw/zinc/48/06/86/386480686.db2.gz ZQCXQIGMJNAQBS-SECBINFHSA-N 1 2 238.291 -0.140 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cnc[nH]1 ZINC000299692833 386480827 /nfs/dbraw/zinc/48/08/27/386480827.db2.gz ZQCXQIGMJNAQBS-VIFPVBQESA-N 1 2 238.291 -0.140 20 0 BBADLO Cn1nccc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000299701623 173106874 /nfs/dbraw/zinc/10/68/74/173106874.db2.gz XKCHLFANAWVREN-SECBINFHSA-N 1 2 238.291 -0.520 20 0 BBADLO Cn1nccc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000299701623 173106872 /nfs/dbraw/zinc/10/68/72/173106872.db2.gz XKCHLFANAWVREN-SECBINFHSA-N 1 2 238.291 -0.520 20 0 BBADLO Cn1nccc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000299701625 173102268 /nfs/dbraw/zinc/10/22/68/173102268.db2.gz XKCHLFANAWVREN-VIFPVBQESA-N 1 2 238.291 -0.520 20 0 BBADLO Cn1nccc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000299701625 173102266 /nfs/dbraw/zinc/10/22/66/173102266.db2.gz XKCHLFANAWVREN-VIFPVBQESA-N 1 2 238.291 -0.520 20 0 BBADLO C[C@H]1CC[N@@H+](Cc2nc(N)nc(N)n2)C[C@H]1O ZINC000299908279 135382451 /nfs/dbraw/zinc/38/24/51/135382451.db2.gz ULTVGSYOGFQRLU-NKWVEPMBSA-N 1 2 238.295 -0.761 20 0 BBADLO C[C@H]1CC[N@H+](Cc2nc(N)nc(N)n2)C[C@H]1O ZINC000299908279 135382449 /nfs/dbraw/zinc/38/24/49/135382449.db2.gz ULTVGSYOGFQRLU-NKWVEPMBSA-N 1 2 238.295 -0.761 20 0 BBADLO C[C@@H]1CC[N@@H+](Cc2nc(N)nc(N)n2)C[C@H]1O ZINC000299908280 135381722 /nfs/dbraw/zinc/38/17/22/135381722.db2.gz ULTVGSYOGFQRLU-RNFRBKRXSA-N 1 2 238.295 -0.761 20 0 BBADLO C[C@@H]1CC[N@H+](Cc2nc(N)nc(N)n2)C[C@H]1O ZINC000299908280 135381720 /nfs/dbraw/zinc/38/17/20/135381720.db2.gz ULTVGSYOGFQRLU-RNFRBKRXSA-N 1 2 238.295 -0.761 20 0 BBADLO CCN(C)C(=O)C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000299912851 349884993 /nfs/dbraw/zinc/88/49/93/349884993.db2.gz OMRLYESFOSSURO-UWVGGRQHSA-N 1 2 230.308 -0.454 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000299912851 349884987 /nfs/dbraw/zinc/88/49/87/349884987.db2.gz OMRLYESFOSSURO-UWVGGRQHSA-N 1 2 230.308 -0.454 20 0 BBADLO CCN(C)C(=O)C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000299912853 349885134 /nfs/dbraw/zinc/88/51/34/349885134.db2.gz OMRLYESFOSSURO-ZJUUUORDSA-N 1 2 230.308 -0.454 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000299912853 349885131 /nfs/dbraw/zinc/88/51/31/349885131.db2.gz OMRLYESFOSSURO-ZJUUUORDSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H](CO)O1 ZINC000299916717 398269749 /nfs/dbraw/zinc/26/97/49/398269749.db2.gz SONUAGGZIGHJPQ-NXEZZACHSA-N 1 2 228.292 -0.700 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H](CO)O1 ZINC000299916717 398269748 /nfs/dbraw/zinc/26/97/48/398269748.db2.gz SONUAGGZIGHJPQ-NXEZZACHSA-N 1 2 228.292 -0.700 20 0 BBADLO C[C@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H](CO)O1 ZINC000299916719 398269920 /nfs/dbraw/zinc/26/99/20/398269920.db2.gz SONUAGGZIGHJPQ-VHSXEESVSA-N 1 2 228.292 -0.700 20 0 BBADLO C[C@H]1C[N@H+](CC(=O)N2CCC2)C[C@H](CO)O1 ZINC000299916719 398269918 /nfs/dbraw/zinc/26/99/18/398269918.db2.gz SONUAGGZIGHJPQ-VHSXEESVSA-N 1 2 228.292 -0.700 20 0 BBADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000299956510 358721360 /nfs/dbraw/zinc/72/13/60/358721360.db2.gz DNHWYDYNBNBKRI-MNOVXSKESA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000299956510 358721357 /nfs/dbraw/zinc/72/13/57/358721357.db2.gz DNHWYDYNBNBKRI-MNOVXSKESA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)N(C)C(=O)C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000299956512 358721453 /nfs/dbraw/zinc/72/14/53/358721453.db2.gz DNHWYDYNBNBKRI-QWRGUYRKSA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000299956512 358721452 /nfs/dbraw/zinc/72/14/52/358721452.db2.gz DNHWYDYNBNBKRI-QWRGUYRKSA-N 1 2 244.335 -0.065 20 0 BBADLO C[C@H]1CN(CC[NH+]2CCOCC2)C[C@H](CO)O1 ZINC000299958528 135382892 /nfs/dbraw/zinc/38/28/92/135382892.db2.gz GUNFJQUKWSBYII-NWDGAFQWSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@@H]1CN(CC[NH+]2CCOCC2)C[C@H](CO)O1 ZINC000299958529 135383352 /nfs/dbraw/zinc/38/33/52/135383352.db2.gz GUNFJQUKWSBYII-VXGBXAGGSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000299967136 358957666 /nfs/dbraw/zinc/95/76/66/358957666.db2.gz PXZIFDOKXCDKLD-KKZNHRDASA-N 1 2 242.319 -0.265 20 0 BBADLO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000299967136 358957664 /nfs/dbraw/zinc/95/76/64/358957664.db2.gz PXZIFDOKXCDKLD-KKZNHRDASA-N 1 2 242.319 -0.265 20 0 BBADLO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000299967137 358957679 /nfs/dbraw/zinc/95/76/79/358957679.db2.gz PXZIFDOKXCDKLD-YWVKMMECSA-N 1 2 242.319 -0.265 20 0 BBADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000299967137 358957676 /nfs/dbraw/zinc/95/76/76/358957676.db2.gz PXZIFDOKXCDKLD-YWVKMMECSA-N 1 2 242.319 -0.265 20 0 BBADLO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H](CO)O1 ZINC000299974329 135383950 /nfs/dbraw/zinc/38/39/50/135383950.db2.gz YPLLGEKCOYMVMT-NXEZZACHSA-N 1 2 243.307 -0.907 20 0 BBADLO C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H](CO)O1 ZINC000299974329 135383949 /nfs/dbraw/zinc/38/39/49/135383949.db2.gz YPLLGEKCOYMVMT-NXEZZACHSA-N 1 2 243.307 -0.907 20 0 BBADLO C[C@H]1C[N@@H+](CCN2CCNC2=O)C[C@H](CO)O1 ZINC000299974330 135383765 /nfs/dbraw/zinc/38/37/65/135383765.db2.gz YPLLGEKCOYMVMT-VHSXEESVSA-N 1 2 243.307 -0.907 20 0 BBADLO C[C@H]1C[N@H+](CCN2CCNC2=O)C[C@H](CO)O1 ZINC000299974330 135383763 /nfs/dbraw/zinc/38/37/63/135383763.db2.gz YPLLGEKCOYMVMT-VHSXEESVSA-N 1 2 243.307 -0.907 20 0 BBADLO CCOC(=O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000299996900 535677908 /nfs/dbraw/zinc/67/79/08/535677908.db2.gz MXEGMROKACJPEI-RKDXNWHRSA-N 1 2 226.276 -0.240 20 0 BBADLO CCOC(=O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000299996900 535677903 /nfs/dbraw/zinc/67/79/03/535677903.db2.gz MXEGMROKACJPEI-RKDXNWHRSA-N 1 2 226.276 -0.240 20 0 BBADLO COC(=O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000299997825 135383594 /nfs/dbraw/zinc/38/35/94/135383594.db2.gz PHEINDUWUGJSBO-HTQZYQBOSA-N 1 2 212.249 -0.630 20 0 BBADLO COC(=O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000299997825 135383592 /nfs/dbraw/zinc/38/35/92/135383592.db2.gz PHEINDUWUGJSBO-HTQZYQBOSA-N 1 2 212.249 -0.630 20 0 BBADLO CC(C)[C@H](C)NC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000300058335 384285989 /nfs/dbraw/zinc/28/59/89/384285989.db2.gz BAPTUAZPGAKWCE-GUBZILKMSA-N 1 2 230.308 -0.816 20 0 BBADLO CC(C)[C@H](C)NC(=O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000300058336 384282990 /nfs/dbraw/zinc/28/29/90/384282990.db2.gz BAPTUAZPGAKWCE-IVZWLZJFSA-N 1 2 230.308 -0.816 20 0 BBADLO CCOC(=O)[C@H](CC)[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000300058494 384285296 /nfs/dbraw/zinc/28/52/96/384285296.db2.gz CGHKNBVJFXHZND-DJLDLDEBSA-N 1 2 217.265 -0.635 20 0 BBADLO C[C@H](C(=O)OC(C)(C)C)[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000300059283 384284315 /nfs/dbraw/zinc/28/43/15/384284315.db2.gz OAEJZAYMEBSZBL-IWSPIJDZSA-N 1 2 231.292 -0.246 20 0 BBADLO Cn1nnc(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)n1 ZINC000300228554 387734801 /nfs/dbraw/zinc/73/48/01/387734801.db2.gz QGMZGXCOJIEWPI-RKDXNWHRSA-N 1 2 225.296 -0.055 20 0 BBADLO Cn1nnc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)n1 ZINC000300228554 387734796 /nfs/dbraw/zinc/73/47/96/387734796.db2.gz QGMZGXCOJIEWPI-RKDXNWHRSA-N 1 2 225.296 -0.055 20 0 BBADLO Cn1nnc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)n1 ZINC000300229578 387735507 /nfs/dbraw/zinc/73/55/07/387735507.db2.gz YGBGWXDDDRQDAM-CIUDSAMLSA-N 1 2 223.280 -0.587 20 0 BBADLO Cn1nnc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)n1 ZINC000300229578 387735500 /nfs/dbraw/zinc/73/55/00/387735500.db2.gz YGBGWXDDDRQDAM-CIUDSAMLSA-N 1 2 223.280 -0.587 20 0 BBADLO Cn1nnc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)n1 ZINC000300229579 387734079 /nfs/dbraw/zinc/73/40/79/387734079.db2.gz YGBGWXDDDRQDAM-XHNCKOQMSA-N 1 2 223.280 -0.587 20 0 BBADLO Cn1nnc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)n1 ZINC000300229579 387734072 /nfs/dbraw/zinc/73/40/72/387734072.db2.gz YGBGWXDDDRQDAM-XHNCKOQMSA-N 1 2 223.280 -0.587 20 0 BBADLO Cn1nnc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)n1 ZINC000300229582 387734702 /nfs/dbraw/zinc/73/47/02/387734702.db2.gz YGBGWXDDDRQDAM-YIZRAAEISA-N 1 2 223.280 -0.587 20 0 BBADLO Cn1nnc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)n1 ZINC000300229582 387734695 /nfs/dbraw/zinc/73/46/95/387734695.db2.gz YGBGWXDDDRQDAM-YIZRAAEISA-N 1 2 223.280 -0.587 20 0 BBADLO COC(=O)[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1C ZINC000300262897 352557366 /nfs/dbraw/zinc/55/73/66/352557366.db2.gz UILXOWLWGRGMHY-HTQZYQBOSA-N 1 2 239.279 -0.549 20 0 BBADLO COC(=O)[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1C ZINC000300262897 352557363 /nfs/dbraw/zinc/55/73/63/352557363.db2.gz UILXOWLWGRGMHY-HTQZYQBOSA-N 1 2 239.279 -0.549 20 0 BBADLO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1nnn(C)n1 ZINC000300367627 398118813 /nfs/dbraw/zinc/11/88/13/398118813.db2.gz NHTDCWUZFFMSDU-CBAPKCEASA-N 1 2 211.269 -0.133 20 0 BBADLO C[N@@H+](CCCO)Cc1nnnn1C1CC1 ZINC000300761806 384532196 /nfs/dbraw/zinc/53/21/96/384532196.db2.gz AVLUTPGGPPJNRT-UHFFFAOYSA-N 1 2 211.269 -0.178 20 0 BBADLO C[N@H+](CCCO)Cc1nnnn1C1CC1 ZINC000300761806 384532186 /nfs/dbraw/zinc/53/21/86/384532186.db2.gz AVLUTPGGPPJNRT-UHFFFAOYSA-N 1 2 211.269 -0.178 20 0 BBADLO CCS(=O)(=O)CC[N@@H+](C)CCCO ZINC000300765322 585595542 /nfs/dbraw/zinc/59/55/42/585595542.db2.gz RHKGAWHXJZVSNR-UHFFFAOYSA-N 1 2 209.311 -0.265 20 0 BBADLO CCS(=O)(=O)CC[N@H+](C)CCCO ZINC000300765322 585595541 /nfs/dbraw/zinc/59/55/41/585595541.db2.gz RHKGAWHXJZVSNR-UHFFFAOYSA-N 1 2 209.311 -0.265 20 0 BBADLO CCOC(=O)[C@@H](C)[N@@H+](C)CCOCCO ZINC000300767041 170246786 /nfs/dbraw/zinc/24/67/86/170246786.db2.gz UYIZJGYYGOTXCV-SECBINFHSA-N 1 2 219.281 -0.121 20 0 BBADLO CCOC(=O)[C@@H](C)[N@H+](C)CCOCCO ZINC000300767041 170246784 /nfs/dbraw/zinc/24/67/84/170246784.db2.gz UYIZJGYYGOTXCV-SECBINFHSA-N 1 2 219.281 -0.121 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+](C)CCOCCO ZINC000300767042 170265751 /nfs/dbraw/zinc/26/57/51/170265751.db2.gz UYIZJGYYGOTXCV-VIFPVBQESA-N 1 2 219.281 -0.121 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+](C)CCOCCO ZINC000300767042 170265750 /nfs/dbraw/zinc/26/57/50/170265750.db2.gz UYIZJGYYGOTXCV-VIFPVBQESA-N 1 2 219.281 -0.121 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+](C)CCOCCO ZINC000300911681 384703846 /nfs/dbraw/zinc/70/38/46/384703846.db2.gz XVQKEBQUNQUSPU-MRVPVSSYSA-N 1 2 205.254 -0.511 20 0 BBADLO COC(=O)[C@@H](C)[N@H+](C)CCOCCO ZINC000300911681 384703838 /nfs/dbraw/zinc/70/38/38/384703838.db2.gz XVQKEBQUNQUSPU-MRVPVSSYSA-N 1 2 205.254 -0.511 20 0 BBADLO COC(=O)[C@H](C)[N@@H+](C)CCOCCO ZINC000300911683 384704224 /nfs/dbraw/zinc/70/42/24/384704224.db2.gz XVQKEBQUNQUSPU-QMMMGPOBSA-N 1 2 205.254 -0.511 20 0 BBADLO COC(=O)[C@H](C)[N@H+](C)CCOCCO ZINC000300911683 384704219 /nfs/dbraw/zinc/70/42/19/384704219.db2.gz XVQKEBQUNQUSPU-QMMMGPOBSA-N 1 2 205.254 -0.511 20 0 BBADLO CCn1ncnc1C[N@@H+](C)CCOCCO ZINC000300943077 172278393 /nfs/dbraw/zinc/27/83/93/172278393.db2.gz DUNPTKCFXIAAJR-UHFFFAOYSA-N 1 2 228.296 -0.261 20 0 BBADLO CCn1ncnc1C[N@H+](C)CCOCCO ZINC000300943077 172278391 /nfs/dbraw/zinc/27/83/91/172278391.db2.gz DUNPTKCFXIAAJR-UHFFFAOYSA-N 1 2 228.296 -0.261 20 0 BBADLO C[N@@H+](CCOCCO)Cc1ncccn1 ZINC000301012558 384830010 /nfs/dbraw/zinc/83/00/10/384830010.db2.gz GTJHRBMIJRHXNN-UHFFFAOYSA-N 1 2 211.265 -0.083 20 0 BBADLO C[N@H+](CCOCCO)Cc1ncccn1 ZINC000301012558 384830001 /nfs/dbraw/zinc/83/00/01/384830001.db2.gz GTJHRBMIJRHXNN-UHFFFAOYSA-N 1 2 211.265 -0.083 20 0 BBADLO Cc1noc(C[N@@H+](C)CCOCCO)n1 ZINC000301018250 384832207 /nfs/dbraw/zinc/83/22/07/384832207.db2.gz ITGDUQVOHMNNOQ-UHFFFAOYSA-N 1 2 215.253 -0.181 20 0 BBADLO Cc1noc(C[N@H+](C)CCOCCO)n1 ZINC000301018250 384832201 /nfs/dbraw/zinc/83/22/01/384832201.db2.gz ITGDUQVOHMNNOQ-UHFFFAOYSA-N 1 2 215.253 -0.181 20 0 BBADLO C[N@@H+](CCOCCO)[C@@H]1CCOC1=O ZINC000301050859 592527626 /nfs/dbraw/zinc/52/76/26/592527626.db2.gz STUYDGFSXLLELJ-MRVPVSSYSA-N 1 2 203.238 -0.757 20 0 BBADLO C[N@H+](CCOCCO)[C@@H]1CCOC1=O ZINC000301050859 592527623 /nfs/dbraw/zinc/52/76/23/592527623.db2.gz STUYDGFSXLLELJ-MRVPVSSYSA-N 1 2 203.238 -0.757 20 0 BBADLO C[N@@H+](CCOCCO)[C@H]1CCOC1=O ZINC000301050860 592527875 /nfs/dbraw/zinc/52/78/75/592527875.db2.gz STUYDGFSXLLELJ-QMMMGPOBSA-N 1 2 203.238 -0.757 20 0 BBADLO C[N@H+](CCOCCO)[C@H]1CCOC1=O ZINC000301050860 592527872 /nfs/dbraw/zinc/52/78/72/592527872.db2.gz STUYDGFSXLLELJ-QMMMGPOBSA-N 1 2 203.238 -0.757 20 0 BBADLO Cc1nonc1C[N@@H+](C)CCOCCO ZINC000301053110 592527646 /nfs/dbraw/zinc/52/76/46/592527646.db2.gz XNSCIUBVLINVCO-UHFFFAOYSA-N 1 2 215.253 -0.181 20 0 BBADLO Cc1nonc1C[N@H+](C)CCOCCO ZINC000301053110 592527643 /nfs/dbraw/zinc/52/76/43/592527643.db2.gz XNSCIUBVLINVCO-UHFFFAOYSA-N 1 2 215.253 -0.181 20 0 BBADLO O[C@@H](CNc1cnccn1)C[NH+]1CCOCC1 ZINC000301062710 183182101 /nfs/dbraw/zinc/18/21/01/183182101.db2.gz NMFVKMAMRIPCJZ-JTQLQIEISA-N 1 2 238.291 -0.418 20 0 BBADLO O[C@H](CNc1cnccn1)C[NH+]1CCOCC1 ZINC000301062712 183226799 /nfs/dbraw/zinc/22/67/99/183226799.db2.gz NMFVKMAMRIPCJZ-SNVBAGLBSA-N 1 2 238.291 -0.418 20 0 BBADLO Cc1cc(N2CCN(CC(N)=O)CC2)nc[nH+]1 ZINC000301225058 132251727 /nfs/dbraw/zinc/25/17/27/132251727.db2.gz CZRYIFPAEOMNQB-UHFFFAOYSA-N 1 2 235.291 -0.608 20 0 BBADLO CNC(=O)C[NH+]1CCN(c2cc(C)ncn2)CC1 ZINC000301245723 132251987 /nfs/dbraw/zinc/25/19/87/132251987.db2.gz NZCDIMMIUIHKLA-UHFFFAOYSA-N 1 2 249.318 -0.347 20 0 BBADLO Cc1cc(NCCN2C(=O)CNC2=O)nc[nH+]1 ZINC000301288915 178161506 /nfs/dbraw/zinc/16/15/06/178161506.db2.gz SJIPQYMFHHBZMV-UHFFFAOYSA-N 1 2 235.247 -0.251 20 0 BBADLO CC(C)COC[C@@H](O)C[N@H+]1CCNC(=O)C1 ZINC000301316341 187302205 /nfs/dbraw/zinc/30/22/05/187302205.db2.gz VAVZZRZVSMRGKD-JTQLQIEISA-N 1 2 230.308 -0.548 20 0 BBADLO CC(C)COC[C@@H](O)C[N@@H+]1CCNC(=O)C1 ZINC000301316341 187302204 /nfs/dbraw/zinc/30/22/04/187302204.db2.gz VAVZZRZVSMRGKD-JTQLQIEISA-N 1 2 230.308 -0.548 20 0 BBADLO CC(C)COC[C@H](O)C[N@H+]1CCNC(=O)C1 ZINC000301316622 398165840 /nfs/dbraw/zinc/16/58/40/398165840.db2.gz VAVZZRZVSMRGKD-SNVBAGLBSA-N 1 2 230.308 -0.548 20 0 BBADLO CC(C)COC[C@H](O)C[N@@H+]1CCNC(=O)C1 ZINC000301316622 398165833 /nfs/dbraw/zinc/16/58/33/398165833.db2.gz VAVZZRZVSMRGKD-SNVBAGLBSA-N 1 2 230.308 -0.548 20 0 BBADLO Cc1cc(N(CCO)CCCO)nc[nH+]1 ZINC000301473747 178101867 /nfs/dbraw/zinc/10/18/67/178101867.db2.gz MFLNNMNMIIPCRY-UHFFFAOYSA-N 1 2 211.265 -0.034 20 0 BBADLO Cc1cc(N2CCN3C(=O)NC[C@@H]3C2)nc[nH+]1 ZINC000301556219 132254920 /nfs/dbraw/zinc/25/49/20/132254920.db2.gz SGFYLYHHSDNCPA-SECBINFHSA-N 1 2 233.275 -0.001 20 0 BBADLO Cc1cc(N2CCN3C(=O)NC[C@H]3C2)nc[nH+]1 ZINC000301556220 132255074 /nfs/dbraw/zinc/25/50/74/132255074.db2.gz SGFYLYHHSDNCPA-VIFPVBQESA-N 1 2 233.275 -0.001 20 0 BBADLO Cc1cc(NCCC(=O)NC(N)=O)nc[nH+]1 ZINC000301741361 178158466 /nfs/dbraw/zinc/15/84/66/178158466.db2.gz YBSNWHJCBGCBMU-UHFFFAOYSA-N 1 2 223.236 -0.218 20 0 BBADLO c1cnc(NC[C@H]2C[NH+]3CCN2CC3)cn1 ZINC000301761968 384931509 /nfs/dbraw/zinc/93/15/09/384931509.db2.gz GHXZJFAPGRSNOU-JTQLQIEISA-N 1 2 219.292 -0.112 20 0 BBADLO c1cnc(NC[C@@H]2C[NH+]3CCN2CC3)cn1 ZINC000301761969 384933278 /nfs/dbraw/zinc/93/32/78/384933278.db2.gz GHXZJFAPGRSNOU-SNVBAGLBSA-N 1 2 219.292 -0.112 20 0 BBADLO Nc1c(NCCO)[nH+]cnc1-n1cccn1 ZINC000301796514 384920606 /nfs/dbraw/zinc/92/06/06/384920606.db2.gz UMFGJCWWCJDYQM-UHFFFAOYSA-N 1 2 220.236 -0.351 20 0 BBADLO c1cnc(NC[C@H]2CN3CC[NH+]2CC3)nc1 ZINC000301800133 384928093 /nfs/dbraw/zinc/92/80/93/384928093.db2.gz VVVSCRBXLOZQIX-JTQLQIEISA-N 1 2 219.292 -0.112 20 0 BBADLO c1cnc(NC[C@H]2C[NH+]3CCN2CC3)nc1 ZINC000301800133 384928085 /nfs/dbraw/zinc/92/80/85/384928085.db2.gz VVVSCRBXLOZQIX-JTQLQIEISA-N 1 2 219.292 -0.112 20 0 BBADLO c1cnc(NC[C@@H]2CN3CC[NH+]2CC3)nc1 ZINC000301800134 384929846 /nfs/dbraw/zinc/92/98/46/384929846.db2.gz VVVSCRBXLOZQIX-SNVBAGLBSA-N 1 2 219.292 -0.112 20 0 BBADLO c1cnc(NC[C@@H]2C[NH+]3CCN2CC3)nc1 ZINC000301800134 384929839 /nfs/dbraw/zinc/92/98/39/384929839.db2.gz VVVSCRBXLOZQIX-SNVBAGLBSA-N 1 2 219.292 -0.112 20 0 BBADLO COC[C@@H](Nc1cc(C)[nH+]cn1)C(N)=O ZINC000301832710 384928763 /nfs/dbraw/zinc/92/87/63/384928763.db2.gz JGMCUWQEVUIACN-SSDOTTSWSA-N 1 2 210.237 -0.303 20 0 BBADLO COC[C@H](Nc1cc(C)[nH+]cn1)C(N)=O ZINC000301832711 384929757 /nfs/dbraw/zinc/92/97/57/384929757.db2.gz JGMCUWQEVUIACN-ZETCQYMHSA-N 1 2 210.237 -0.303 20 0 BBADLO CN(Cc1[nH+]ccn1C)c1cncc(C(N)=O)n1 ZINC000301929490 386890986 /nfs/dbraw/zinc/89/09/86/386890986.db2.gz NTQMZPGGFQNQRA-UHFFFAOYSA-N 1 2 246.274 -0.055 20 0 BBADLO Cc1cc(N2CCN(C(=O)CO)CC2)nc[nH+]1 ZINC000301952224 132258966 /nfs/dbraw/zinc/25/89/66/132258966.db2.gz JHFHRFIWVCOYOV-UHFFFAOYSA-N 1 2 236.275 -0.574 20 0 BBADLO CNC(=O)C[NH+]1CCN(c2cncc(C)n2)CC1 ZINC000302081522 132260138 /nfs/dbraw/zinc/26/01/38/132260138.db2.gz CEGYLPNRTFEYQJ-UHFFFAOYSA-N 1 2 249.318 -0.347 20 0 BBADLO CNC(=O)C1CN(c2cc(C)[nH+]cn2)C1 ZINC000302217457 173227555 /nfs/dbraw/zinc/22/75/55/173227555.db2.gz PUTPYLVDVKXNQZ-UHFFFAOYSA-N 1 2 206.249 -0.033 20 0 BBADLO CNC(=O)[C@@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000302291879 173296558 /nfs/dbraw/zinc/29/65/58/173296558.db2.gz LJNOQVDZZVMRGE-MRVPVSSYSA-N 1 2 236.275 -0.127 20 0 BBADLO CNC(=O)[C@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000302291880 173304901 /nfs/dbraw/zinc/30/49/01/173304901.db2.gz LJNOQVDZZVMRGE-QMMMGPOBSA-N 1 2 236.275 -0.127 20 0 BBADLO COCC[C@@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC000302363113 174388431 /nfs/dbraw/zinc/38/84/31/174388431.db2.gz YALUESASTSLELP-JTQLQIEISA-N 1 2 241.291 -0.213 20 0 BBADLO COCC[C@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC000302363117 387281273 /nfs/dbraw/zinc/28/12/73/387281273.db2.gz YALUESASTSLELP-SNVBAGLBSA-N 1 2 241.291 -0.213 20 0 BBADLO COCC(=O)NC1CN(c2cc(C)[nH+]cn2)C1 ZINC000302485906 174046942 /nfs/dbraw/zinc/04/69/42/174046942.db2.gz ZAIMCAALJFJXFU-UHFFFAOYSA-N 1 2 236.275 -0.264 20 0 BBADLO Cc1cc(NC[C@H]2CC(C(N)=O)=NO2)nc[nH+]1 ZINC000302575297 178168695 /nfs/dbraw/zinc/16/86/95/178168695.db2.gz RNAXPAGWCRPWNJ-SSDOTTSWSA-N 1 2 235.247 -0.173 20 0 BBADLO Cc1cc(NC[C@@H]2CC(C(N)=O)=NO2)nc[nH+]1 ZINC000302575298 178165054 /nfs/dbraw/zinc/16/50/54/178165054.db2.gz RNAXPAGWCRPWNJ-ZETCQYMHSA-N 1 2 235.247 -0.173 20 0 BBADLO CCNC(=O)CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000302584002 170067364 /nfs/dbraw/zinc/06/73/64/170067364.db2.gz UPSMBNHKWZNWRS-UHFFFAOYSA-N 1 2 249.278 -0.507 20 0 BBADLO CO[C@@H]1CN(c2nc(N)nc(C)[nH+]2)C[C@@H]1OC ZINC000302592185 384374575 /nfs/dbraw/zinc/37/45/75/384374575.db2.gz GWXYXFCDGVXJOK-OCAPTIKFSA-N 1 2 239.279 -0.388 20 0 BBADLO CO[C@@H]1CN(c2nc(C)[nH+]c(N)n2)C[C@@H]1OC ZINC000302592185 384374570 /nfs/dbraw/zinc/37/45/70/384374570.db2.gz GWXYXFCDGVXJOK-OCAPTIKFSA-N 1 2 239.279 -0.388 20 0 BBADLO CC(C)CNC(=O)C[N@@H+](C)CC(=O)NC1CC1 ZINC000302598961 387288065 /nfs/dbraw/zinc/28/80/65/387288065.db2.gz KBOULFGFSXRDPQ-UHFFFAOYSA-N 1 2 241.335 -0.031 20 0 BBADLO CC(C)CNC(=O)C[N@H+](C)CC(=O)NC1CC1 ZINC000302598961 387288061 /nfs/dbraw/zinc/28/80/61/387288061.db2.gz KBOULFGFSXRDPQ-UHFFFAOYSA-N 1 2 241.335 -0.031 20 0 BBADLO Cc1nc(N)nc(N[C@@H]2CCC(=O)N(C)C2)[nH+]1 ZINC000302623288 384423325 /nfs/dbraw/zinc/42/33/25/384423325.db2.gz OHUMHIDOGFVEMD-SSDOTTSWSA-N 1 2 236.279 -0.205 20 0 BBADLO Cc1nc(N[C@@H]2CCC(=O)N(C)C2)nc(N)[nH+]1 ZINC000302623288 384423319 /nfs/dbraw/zinc/42/33/19/384423319.db2.gz OHUMHIDOGFVEMD-SSDOTTSWSA-N 1 2 236.279 -0.205 20 0 BBADLO Cc1nc(N)nc(N[C@H]2CCC(=O)N(C)C2)[nH+]1 ZINC000302623289 384422648 /nfs/dbraw/zinc/42/26/48/384422648.db2.gz OHUMHIDOGFVEMD-ZETCQYMHSA-N 1 2 236.279 -0.205 20 0 BBADLO Cc1nc(N[C@H]2CCC(=O)N(C)C2)nc(N)[nH+]1 ZINC000302623289 384422644 /nfs/dbraw/zinc/42/26/44/384422644.db2.gz OHUMHIDOGFVEMD-ZETCQYMHSA-N 1 2 236.279 -0.205 20 0 BBADLO CC(=O)N[C@@H]1CCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000302649678 384494835 /nfs/dbraw/zinc/49/48/35/384494835.db2.gz VOIXEEPGKDRJRJ-MRVPVSSYSA-N 1 2 236.279 -0.523 20 0 BBADLO CC(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000302649678 384494830 /nfs/dbraw/zinc/49/48/30/384494830.db2.gz VOIXEEPGKDRJRJ-MRVPVSSYSA-N 1 2 236.279 -0.523 20 0 BBADLO CC(=O)N[C@H]1CCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000302649679 384496334 /nfs/dbraw/zinc/49/63/34/384496334.db2.gz VOIXEEPGKDRJRJ-QMMMGPOBSA-N 1 2 236.279 -0.523 20 0 BBADLO CC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000302649679 384496332 /nfs/dbraw/zinc/49/63/32/384496332.db2.gz VOIXEEPGKDRJRJ-QMMMGPOBSA-N 1 2 236.279 -0.523 20 0 BBADLO CCCCNC(=O)C[N@@H+](C)CC(=O)N(C)C ZINC000302736248 398001070 /nfs/dbraw/zinc/00/10/70/398001070.db2.gz DWMQYPTWHZNNGV-UHFFFAOYSA-N 1 2 229.324 -0.077 20 0 BBADLO CCCCNC(=O)C[N@H+](C)CC(=O)N(C)C ZINC000302736248 398001067 /nfs/dbraw/zinc/00/10/67/398001067.db2.gz DWMQYPTWHZNNGV-UHFFFAOYSA-N 1 2 229.324 -0.077 20 0 BBADLO CC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000302752432 398000690 /nfs/dbraw/zinc/00/06/90/398000690.db2.gz YGJQTPIYMQFELA-SECBINFHSA-N 1 2 239.319 -0.182 20 0 BBADLO CC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000302752433 188249234 /nfs/dbraw/zinc/24/92/34/188249234.db2.gz YGJQTPIYMQFELA-VIFPVBQESA-N 1 2 239.319 -0.182 20 0 BBADLO Cc1cc(N2CC[C@H](CO)[C@H](O)C2)nc[nH+]1 ZINC000302774569 132266336 /nfs/dbraw/zinc/26/63/36/132266336.db2.gz DQEZUWQQVMNTMA-NXEZZACHSA-N 1 2 223.276 -0.035 20 0 BBADLO Cc1cc(N2CC[C@@H](CO)[C@@H](O)C2)nc[nH+]1 ZINC000302774570 132266306 /nfs/dbraw/zinc/26/63/06/132266306.db2.gz DQEZUWQQVMNTMA-UWVGGRQHSA-N 1 2 223.276 -0.035 20 0 BBADLO Cc1cc(N2CC[C@@H](CO)[C@H](O)C2)nc[nH+]1 ZINC000302774572 132266419 /nfs/dbraw/zinc/26/64/19/132266419.db2.gz DQEZUWQQVMNTMA-VHSXEESVSA-N 1 2 223.276 -0.035 20 0 BBADLO Cc1cc(N2CC[C@H](CO)[C@@H](O)C2)nc[nH+]1 ZINC000302774573 132266140 /nfs/dbraw/zinc/26/61/40/132266140.db2.gz DQEZUWQQVMNTMA-ZJUUUORDSA-N 1 2 223.276 -0.035 20 0 BBADLO Cn1ncc2c1nc(NCCCO)[nH+]c2N ZINC000302822692 385008356 /nfs/dbraw/zinc/00/83/56/385008356.db2.gz FEVHOKSIEKUSOC-UHFFFAOYSA-N 1 2 222.252 -0.260 20 0 BBADLO CC(C)=CC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000302996642 188248808 /nfs/dbraw/zinc/24/88/08/188248808.db2.gz JITOGLGKWJZFEV-UHFFFAOYSA-N 1 2 239.319 -0.028 20 0 BBADLO CC(C)=CC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000302996642 188248806 /nfs/dbraw/zinc/24/88/06/188248806.db2.gz JITOGLGKWJZFEV-UHFFFAOYSA-N 1 2 239.319 -0.028 20 0 BBADLO C[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CCO1 ZINC000303038001 176296594 /nfs/dbraw/zinc/29/65/94/176296594.db2.gz IYIWQABDVMFEHV-NEPJUHHUSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CCO1 ZINC000303038021 177257276 /nfs/dbraw/zinc/25/72/76/177257276.db2.gz IYIWQABDVMFEHV-RYUDHWBXSA-N 1 2 244.335 -0.600 20 0 BBADLO CC(C)(C)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000303048953 384538712 /nfs/dbraw/zinc/53/87/12/384538712.db2.gz NJDJXIMSDJTDSV-JTQLQIEISA-N 1 2 244.335 -0.158 20 0 BBADLO CC(C)(C)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000303048954 384541390 /nfs/dbraw/zinc/54/13/90/384541390.db2.gz NJDJXIMSDJTDSV-SNVBAGLBSA-N 1 2 244.335 -0.158 20 0 BBADLO CC(C)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000303051705 386745254 /nfs/dbraw/zinc/74/52/54/386745254.db2.gz SBOSYSCTFIAHBV-JTQLQIEISA-N 1 2 230.308 -0.548 20 0 BBADLO CC(C)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000303051707 384540863 /nfs/dbraw/zinc/54/08/63/384540863.db2.gz SBOSYSCTFIAHBV-SNVBAGLBSA-N 1 2 230.308 -0.548 20 0 BBADLO O=C(COCC1CC1)N1CC[NH+](CCO)CC1 ZINC000303052187 387308433 /nfs/dbraw/zinc/30/84/33/387308433.db2.gz SWPDHJWBXXQMQY-UHFFFAOYSA-N 1 2 242.319 -0.451 20 0 BBADLO CC(C)CC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000303054175 384540081 /nfs/dbraw/zinc/54/00/81/384540081.db2.gz YEEWZASDJYOANY-LLVKDONJSA-N 1 2 244.335 -0.158 20 0 BBADLO CC(C)CC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000303054177 384541565 /nfs/dbraw/zinc/54/15/65/384541565.db2.gz YEEWZASDJYOANY-NSHDSACASA-N 1 2 244.335 -0.158 20 0 BBADLO CCO[C@@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000303054599 397987981 /nfs/dbraw/zinc/98/79/81/397987981.db2.gz ZFRLJFPZBKFPTJ-JTQLQIEISA-N 1 2 230.308 -0.452 20 0 BBADLO CCO[C@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000303054601 397987972 /nfs/dbraw/zinc/98/79/72/397987972.db2.gz ZFRLJFPZBKFPTJ-SNVBAGLBSA-N 1 2 230.308 -0.452 20 0 BBADLO O=C(NCC[NH+]1CCOCC1)C1(O)CCCC1 ZINC000303228975 136215234 /nfs/dbraw/zinc/21/52/34/136215234.db2.gz RRTNKOHRDSGJFK-UHFFFAOYSA-N 1 2 242.319 -0.260 20 0 BBADLO Cc1cnn(CC[N@H+]2CCO[C@@H](CO)C2)c1 ZINC000303259670 386766213 /nfs/dbraw/zinc/76/62/13/386766213.db2.gz JXLGFAOQNDHIIQ-LLVKDONJSA-N 1 2 225.292 -0.115 20 0 BBADLO Cc1cnn(CC[N@@H+]2CCO[C@@H](CO)C2)c1 ZINC000303259670 386766205 /nfs/dbraw/zinc/76/62/05/386766205.db2.gz JXLGFAOQNDHIIQ-LLVKDONJSA-N 1 2 225.292 -0.115 20 0 BBADLO Cc1cnn(CC[N@H+]2CCO[C@H](CO)C2)c1 ZINC000303259672 386766182 /nfs/dbraw/zinc/76/61/82/386766182.db2.gz JXLGFAOQNDHIIQ-NSHDSACASA-N 1 2 225.292 -0.115 20 0 BBADLO Cc1cnn(CC[N@@H+]2CCO[C@H](CO)C2)c1 ZINC000303259672 386766177 /nfs/dbraw/zinc/76/61/77/386766177.db2.gz JXLGFAOQNDHIIQ-NSHDSACASA-N 1 2 225.292 -0.115 20 0 BBADLO CC[N@@H+](CCOCCO)Cc1cn(C)nn1 ZINC000303573823 386841783 /nfs/dbraw/zinc/84/17/83/386841783.db2.gz BMKSSSVXPZYLAS-UHFFFAOYSA-N 1 2 228.296 -0.354 20 0 BBADLO CC[N@H+](CCOCCO)Cc1cn(C)nn1 ZINC000303573823 386841771 /nfs/dbraw/zinc/84/17/71/386841771.db2.gz BMKSSSVXPZYLAS-UHFFFAOYSA-N 1 2 228.296 -0.354 20 0 BBADLO CCc1noc(C[N@@H+](CCO)CCCO)n1 ZINC000304014812 350137383 /nfs/dbraw/zinc/13/73/83/350137383.db2.gz WCNAIKIOOPDHGZ-UHFFFAOYSA-N 1 2 229.280 -0.191 20 0 BBADLO CCc1noc(C[N@H+](CCO)CCCO)n1 ZINC000304014812 350137380 /nfs/dbraw/zinc/13/73/80/350137380.db2.gz WCNAIKIOOPDHGZ-UHFFFAOYSA-N 1 2 229.280 -0.191 20 0 BBADLO C[C@@H]1COCC[N@H+]1C[C@@H](O)CN1CCCC1=O ZINC000304066828 388356550 /nfs/dbraw/zinc/35/65/50/388356550.db2.gz UDWNNJPKDBEDRK-GHMZBOCLSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@@H]1COCC[N@@H+]1C[C@@H](O)CN1CCCC1=O ZINC000304066828 388356547 /nfs/dbraw/zinc/35/65/47/388356547.db2.gz UDWNNJPKDBEDRK-GHMZBOCLSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@@H]1COCC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC000304066829 388355894 /nfs/dbraw/zinc/35/58/94/388355894.db2.gz UDWNNJPKDBEDRK-MNOVXSKESA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@@H]1COCC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000304066829 388355891 /nfs/dbraw/zinc/35/58/91/388355891.db2.gz UDWNNJPKDBEDRK-MNOVXSKESA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H]1COCC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC000304066830 388356638 /nfs/dbraw/zinc/35/66/38/388356638.db2.gz UDWNNJPKDBEDRK-QWRGUYRKSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H]1COCC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000304066830 388356637 /nfs/dbraw/zinc/35/66/37/388356637.db2.gz UDWNNJPKDBEDRK-QWRGUYRKSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H]1COCC[N@H+]1C[C@@H](O)CN1CCCC1=O ZINC000304066831 388356671 /nfs/dbraw/zinc/35/66/71/388356671.db2.gz UDWNNJPKDBEDRK-WDEREUQCSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H]1COCC[N@@H+]1C[C@@H](O)CN1CCCC1=O ZINC000304066831 388356669 /nfs/dbraw/zinc/35/66/69/388356669.db2.gz UDWNNJPKDBEDRK-WDEREUQCSA-N 1 2 242.319 -0.310 20 0 BBADLO CC[N@@H+](CCOCCO)Cc1ncnn1C ZINC000304221638 387449916 /nfs/dbraw/zinc/44/99/16/387449916.db2.gz HTMLTODPAIPOOM-UHFFFAOYSA-N 1 2 228.296 -0.354 20 0 BBADLO CC[N@H+](CCOCCO)Cc1ncnn1C ZINC000304221638 387449913 /nfs/dbraw/zinc/44/99/13/387449913.db2.gz HTMLTODPAIPOOM-UHFFFAOYSA-N 1 2 228.296 -0.354 20 0 BBADLO CC[C@H](CO)[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000304254082 134159628 /nfs/dbraw/zinc/15/96/28/134159628.db2.gz ADFNWKNMWNPHJL-SECBINFHSA-N 1 2 236.337 -0.666 20 0 BBADLO CC[C@@H](CO)[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000304254084 388357413 /nfs/dbraw/zinc/35/74/13/388357413.db2.gz ADFNWKNMWNPHJL-VIFPVBQESA-N 1 2 236.337 -0.666 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)COC(C)C ZINC000304264277 352727594 /nfs/dbraw/zinc/72/75/94/352727594.db2.gz GNDQCOPXYCUCLS-GHMZBOCLSA-N 1 2 244.335 -0.017 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)COC(C)C ZINC000304264277 352727590 /nfs/dbraw/zinc/72/75/90/352727590.db2.gz GNDQCOPXYCUCLS-GHMZBOCLSA-N 1 2 244.335 -0.017 20 0 BBADLO CC[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)COC(C)C ZINC000304264279 386969809 /nfs/dbraw/zinc/96/98/09/386969809.db2.gz GNDQCOPXYCUCLS-MNOVXSKESA-N 1 2 244.335 -0.017 20 0 BBADLO CC[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)COC(C)C ZINC000304264279 386969803 /nfs/dbraw/zinc/96/98/03/386969803.db2.gz GNDQCOPXYCUCLS-MNOVXSKESA-N 1 2 244.335 -0.017 20 0 BBADLO CC[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)COC(C)C ZINC000304264281 386968536 /nfs/dbraw/zinc/96/85/36/386968536.db2.gz GNDQCOPXYCUCLS-QWRGUYRKSA-N 1 2 244.335 -0.017 20 0 BBADLO CC[C@H]1C(=O)NCC[N@H+]1C[C@H](O)COC(C)C ZINC000304264281 386968530 /nfs/dbraw/zinc/96/85/30/386968530.db2.gz GNDQCOPXYCUCLS-QWRGUYRKSA-N 1 2 244.335 -0.017 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)COC(C)C ZINC000304264282 352727676 /nfs/dbraw/zinc/72/76/76/352727676.db2.gz GNDQCOPXYCUCLS-WDEREUQCSA-N 1 2 244.335 -0.017 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)COC(C)C ZINC000304264282 352727674 /nfs/dbraw/zinc/72/76/74/352727674.db2.gz GNDQCOPXYCUCLS-WDEREUQCSA-N 1 2 244.335 -0.017 20 0 BBADLO CCc1nc(N2C[C@@H](O)[C@@H](O)C2)cc(C)[nH+]1 ZINC000304269177 388357749 /nfs/dbraw/zinc/35/77/49/388357749.db2.gz CGFWEGNBXCRADC-DTORHVGOSA-N 1 2 223.276 -0.111 20 0 BBADLO CCc1nc(N2C[C@H](O)[C@@H](O)C2)cc(C)[nH+]1 ZINC000304269180 388357499 /nfs/dbraw/zinc/35/74/99/388357499.db2.gz CGFWEGNBXCRADC-IUCAKERBSA-N 1 2 223.276 -0.111 20 0 BBADLO CCc1nc(N2C[C@@H](O)[C@H](O)C2)cc(C)[nH+]1 ZINC000304269183 536126646 /nfs/dbraw/zinc/12/66/46/536126646.db2.gz CGFWEGNBXCRADC-RKDXNWHRSA-N 1 2 223.276 -0.111 20 0 BBADLO CC1(C)C(=O)NCC[N@@H+]1CCOCCO ZINC000304335937 387466985 /nfs/dbraw/zinc/46/69/85/387466985.db2.gz WBEKIFLVVUBJKR-UHFFFAOYSA-N 1 2 216.281 -0.794 20 0 BBADLO CC1(C)C(=O)NCC[N@H+]1CCOCCO ZINC000304335937 387466981 /nfs/dbraw/zinc/46/69/81/387466981.db2.gz WBEKIFLVVUBJKR-UHFFFAOYSA-N 1 2 216.281 -0.794 20 0 BBADLO Cc1cnn(CC[N@H+]2CCOC[C@H]2CO)c1 ZINC000304366410 487844922 /nfs/dbraw/zinc/84/49/22/487844922.db2.gz IRSCFVLKJLOZRO-LLVKDONJSA-N 1 2 225.292 -0.115 20 0 BBADLO Cc1cnn(CC[N@@H+]2CCOC[C@H]2CO)c1 ZINC000304366410 487844918 /nfs/dbraw/zinc/84/49/18/487844918.db2.gz IRSCFVLKJLOZRO-LLVKDONJSA-N 1 2 225.292 -0.115 20 0 BBADLO Cc1nc(N)nc(N2CC[C@@H](O)[C@H](C)C2)[nH+]1 ZINC000304397286 384267834 /nfs/dbraw/zinc/26/78/34/384267834.db2.gz AFOVKODAXGGKSD-HTRCEHHLSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1nc(N2CC[C@@H](O)[C@H](C)C2)nc(N)[nH+]1 ZINC000304397286 384267828 /nfs/dbraw/zinc/26/78/28/384267828.db2.gz AFOVKODAXGGKSD-HTRCEHHLSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1nc(N)nc(N2CC[C@@H](O)[C@@H](C)C2)[nH+]1 ZINC000304397289 384267616 /nfs/dbraw/zinc/26/76/16/384267616.db2.gz AFOVKODAXGGKSD-POYBYMJQSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1nc(N2CC[C@@H](O)[C@@H](C)C2)nc(N)[nH+]1 ZINC000304397289 384267611 /nfs/dbraw/zinc/26/76/11/384267611.db2.gz AFOVKODAXGGKSD-POYBYMJQSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1nc(N)nc(N2CC[C@H](O)[C@H](C)C2)[nH+]1 ZINC000304397291 384268383 /nfs/dbraw/zinc/26/83/83/384268383.db2.gz AFOVKODAXGGKSD-SVRRBLITSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1nc(N2CC[C@H](O)[C@H](C)C2)nc(N)[nH+]1 ZINC000304397291 384268378 /nfs/dbraw/zinc/26/83/78/384268378.db2.gz AFOVKODAXGGKSD-SVRRBLITSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1nc(N)nc(N2CC[C@H](O)[C@@H](C)C2)[nH+]1 ZINC000304397294 384266357 /nfs/dbraw/zinc/26/63/57/384266357.db2.gz AFOVKODAXGGKSD-XPUUQOCRSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1nc(N2CC[C@H](O)[C@@H](C)C2)nc(N)[nH+]1 ZINC000304397294 384266351 /nfs/dbraw/zinc/26/63/51/384266351.db2.gz AFOVKODAXGGKSD-XPUUQOCRSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1nc(N)nc(NC[C@@H]2COCCO2)[nH+]1 ZINC000304405641 644902964 /nfs/dbraw/zinc/90/29/64/644902964.db2.gz BNEXCDDYPDWHNK-SSDOTTSWSA-N 1 2 225.252 -0.410 20 0 BBADLO Cc1nc(NC[C@@H]2COCCO2)nc(N)[nH+]1 ZINC000304405641 644902956 /nfs/dbraw/zinc/90/29/56/644902956.db2.gz BNEXCDDYPDWHNK-SSDOTTSWSA-N 1 2 225.252 -0.410 20 0 BBADLO Cc1nc(N)nc(NC[C@H]2COCCO2)[nH+]1 ZINC000304405644 644903388 /nfs/dbraw/zinc/90/33/88/644903388.db2.gz BNEXCDDYPDWHNK-ZETCQYMHSA-N 1 2 225.252 -0.410 20 0 BBADLO Cc1nc(NC[C@H]2COCCO2)nc(N)[nH+]1 ZINC000304405644 644903383 /nfs/dbraw/zinc/90/33/83/644903383.db2.gz BNEXCDDYPDWHNK-ZETCQYMHSA-N 1 2 225.252 -0.410 20 0 BBADLO CC(C)[C@](C)([NH2+]Cc1ncnn1C)C(N)=O ZINC000304422729 387036230 /nfs/dbraw/zinc/03/62/30/387036230.db2.gz ABPMGBSWUGCMJI-JTQLQIEISA-N 1 2 225.296 -0.195 20 0 BBADLO CC(C)[C@@](C)([NH2+]Cc1ncnn1C)C(N)=O ZINC000304422730 188060228 /nfs/dbraw/zinc/06/02/28/188060228.db2.gz ABPMGBSWUGCMJI-SNVBAGLBSA-N 1 2 225.296 -0.195 20 0 BBADLO CCN(C)C(=O)CNc1nc(N)nc(C)[nH+]1 ZINC000304464115 384321279 /nfs/dbraw/zinc/32/12/79/384321279.db2.gz MSLAXNQRVKVWGH-UHFFFAOYSA-N 1 2 224.268 -0.348 20 0 BBADLO CCN(C)C(=O)CNc1nc(C)[nH+]c(N)n1 ZINC000304464115 384321276 /nfs/dbraw/zinc/32/12/76/384321276.db2.gz MSLAXNQRVKVWGH-UHFFFAOYSA-N 1 2 224.268 -0.348 20 0 BBADLO Cc1nc(N)nc(N[C@@H](C)C(=O)N(C)C)[nH+]1 ZINC000304466279 384321918 /nfs/dbraw/zinc/32/19/18/384321918.db2.gz MWIXHDWCDLUULM-YFKPBYRVSA-N 1 2 224.268 -0.349 20 0 BBADLO Cc1nc(N[C@@H](C)C(=O)N(C)C)nc(N)[nH+]1 ZINC000304466279 384321910 /nfs/dbraw/zinc/32/19/10/384321910.db2.gz MWIXHDWCDLUULM-YFKPBYRVSA-N 1 2 224.268 -0.349 20 0 BBADLO COCCOCCNc1nc(N)nc(C)[nH+]1 ZINC000304514719 384344878 /nfs/dbraw/zinc/34/48/78/384344878.db2.gz RNICKEASRYNADH-UHFFFAOYSA-N 1 2 227.268 -0.163 20 0 BBADLO COCCOCCNc1nc(C)[nH+]c(N)n1 ZINC000304514719 384344876 /nfs/dbraw/zinc/34/48/76/384344876.db2.gz RNICKEASRYNADH-UHFFFAOYSA-N 1 2 227.268 -0.163 20 0 BBADLO Cc1nc(N)nc(N2CCN(C)C(=O)C2)[nH+]1 ZINC000304524009 384352149 /nfs/dbraw/zinc/35/21/49/384352149.db2.gz SNCUTWSEHRFCPB-UHFFFAOYSA-N 1 2 222.252 -0.959 20 0 BBADLO Cc1nc(N2CCN(C)C(=O)C2)nc(N)[nH+]1 ZINC000304524009 384352142 /nfs/dbraw/zinc/35/21/42/384352142.db2.gz SNCUTWSEHRFCPB-UHFFFAOYSA-N 1 2 222.252 -0.959 20 0 BBADLO Cc1nc(N)nc(N2CCC(CO)CC2)[nH+]1 ZINC000304533142 384370777 /nfs/dbraw/zinc/37/07/77/384370777.db2.gz UQPIOLBCOUXJPW-UHFFFAOYSA-N 1 2 223.280 -0.029 20 0 BBADLO Cc1nc(N2CCC(CO)CC2)nc(N)[nH+]1 ZINC000304533142 384370773 /nfs/dbraw/zinc/37/07/73/384370773.db2.gz UQPIOLBCOUXJPW-UHFFFAOYSA-N 1 2 223.280 -0.029 20 0 BBADLO Cc1nc(N)nc(N2CCNC(=O)[C@H]2C)[nH+]1 ZINC000304538864 384372274 /nfs/dbraw/zinc/37/22/74/384372274.db2.gz VOBQQZLVAGDYCE-RXMQYKEDSA-N 1 2 222.252 -0.913 20 0 BBADLO Cc1nc(N2CCNC(=O)[C@H]2C)nc(N)[nH+]1 ZINC000304538864 384372268 /nfs/dbraw/zinc/37/22/68/384372268.db2.gz VOBQQZLVAGDYCE-RXMQYKEDSA-N 1 2 222.252 -0.913 20 0 BBADLO Cc1nc(N)nc(N2CCNC(=O)[C@@H]2C)[nH+]1 ZINC000304538866 384372100 /nfs/dbraw/zinc/37/21/00/384372100.db2.gz VOBQQZLVAGDYCE-YFKPBYRVSA-N 1 2 222.252 -0.913 20 0 BBADLO Cc1nc(N2CCNC(=O)[C@@H]2C)nc(N)[nH+]1 ZINC000304538866 384372094 /nfs/dbraw/zinc/37/20/94/384372094.db2.gz VOBQQZLVAGDYCE-YFKPBYRVSA-N 1 2 222.252 -0.913 20 0 BBADLO COC[C@@H](CNc1nc(N)nc(C)[nH+]1)OC ZINC000304546650 398337404 /nfs/dbraw/zinc/33/74/04/398337404.db2.gz WTNHYQSIPZUHJA-SSDOTTSWSA-N 1 2 227.268 -0.164 20 0 BBADLO COC[C@@H](CNc1nc(C)[nH+]c(N)n1)OC ZINC000304546650 398337403 /nfs/dbraw/zinc/33/74/03/398337403.db2.gz WTNHYQSIPZUHJA-SSDOTTSWSA-N 1 2 227.268 -0.164 20 0 BBADLO COC[C@H](CNc1nc(N)nc(C)[nH+]1)OC ZINC000304546651 398337343 /nfs/dbraw/zinc/33/73/43/398337343.db2.gz WTNHYQSIPZUHJA-ZETCQYMHSA-N 1 2 227.268 -0.164 20 0 BBADLO COC[C@H](CNc1nc(C)[nH+]c(N)n1)OC ZINC000304546651 398337342 /nfs/dbraw/zinc/33/73/42/398337342.db2.gz WTNHYQSIPZUHJA-ZETCQYMHSA-N 1 2 227.268 -0.164 20 0 BBADLO Cc1nc(N2CCCNC(=O)C2)nc(N)[nH+]1 ZINC000304560083 644916147 /nfs/dbraw/zinc/91/61/47/644916147.db2.gz YMVXUBJHRULUGS-UHFFFAOYSA-N 1 2 222.252 -0.911 20 0 BBADLO CN(C)S(=O)(=O)N(C)Cc1ccc(N)[nH+]c1 ZINC000304658670 644922841 /nfs/dbraw/zinc/92/28/41/644922841.db2.gz VSOBNRNXERCHLT-UHFFFAOYSA-N 1 2 244.320 -0.098 20 0 BBADLO CCC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000304804839 168211410 /nfs/dbraw/zinc/21/14/10/168211410.db2.gz BRBRYKFSJJEYRK-JTQLQIEISA-N 1 2 230.308 -0.452 20 0 BBADLO CCC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000304804840 168211210 /nfs/dbraw/zinc/21/12/10/168211210.db2.gz BRBRYKFSJJEYRK-SNVBAGLBSA-N 1 2 230.308 -0.452 20 0 BBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1CC1 ZINC000304806041 398327222 /nfs/dbraw/zinc/32/72/22/398327222.db2.gz DGOUZRLLJXVHGY-LLVKDONJSA-N 1 2 242.319 -0.452 20 0 BBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1CC1 ZINC000304806042 398327143 /nfs/dbraw/zinc/32/71/43/398327143.db2.gz DGOUZRLLJXVHGY-NSHDSACASA-N 1 2 242.319 -0.452 20 0 BBADLO CCCC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000304816136 398326980 /nfs/dbraw/zinc/32/69/80/398326980.db2.gz WCNZSBKJNKUUQC-LLVKDONJSA-N 1 2 244.335 -0.062 20 0 BBADLO CCCC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000304816137 398327108 /nfs/dbraw/zinc/32/71/08/398327108.db2.gz WCNZSBKJNKUUQC-NSHDSACASA-N 1 2 244.335 -0.062 20 0 BBADLO CN1CC[N@@H+](CCOCCO)C(C)(C)C1=O ZINC000304945920 173081435 /nfs/dbraw/zinc/08/14/35/173081435.db2.gz CVGGHCKCDVIEBZ-UHFFFAOYSA-N 1 2 230.308 -0.452 20 0 BBADLO CN1CC[N@H+](CCOCCO)C(C)(C)C1=O ZINC000304945920 173081433 /nfs/dbraw/zinc/08/14/33/173081433.db2.gz CVGGHCKCDVIEBZ-UHFFFAOYSA-N 1 2 230.308 -0.452 20 0 BBADLO COC[C@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000304951799 387041675 /nfs/dbraw/zinc/04/16/75/387041675.db2.gz SVGUNNRRKJDHTB-JTQLQIEISA-N 1 2 230.308 -0.595 20 0 BBADLO COC[C@@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000304952100 387042077 /nfs/dbraw/zinc/04/20/77/387042077.db2.gz SVGUNNRRKJDHTB-SNVBAGLBSA-N 1 2 230.308 -0.595 20 0 BBADLO O=C(CCCn1cc[nH+]c1)N1CC(O)C1 ZINC000305043990 490411610 /nfs/dbraw/zinc/41/16/10/490411610.db2.gz KNCZXOVMWNJQSV-UHFFFAOYSA-N 1 2 209.249 -0.134 20 0 BBADLO CNC(=O)C[N@@H+](CCO)Cc1cccnc1 ZINC000305089275 173272928 /nfs/dbraw/zinc/27/29/28/173272928.db2.gz VYDALIFMGWITMM-UHFFFAOYSA-N 1 2 223.276 -0.378 20 0 BBADLO CNC(=O)C[N@H+](CCO)Cc1cccnc1 ZINC000305089275 173272927 /nfs/dbraw/zinc/27/29/27/173272927.db2.gz VYDALIFMGWITMM-UHFFFAOYSA-N 1 2 223.276 -0.378 20 0 BBADLO Cc1noc(C[N@H+](C)CC(C)(CO)CO)n1 ZINC000305113675 387044997 /nfs/dbraw/zinc/04/49/97/387044997.db2.gz JAUGYBAVWITZRR-UHFFFAOYSA-N 1 2 229.280 -0.199 20 0 BBADLO Cc1noc(C[N@@H+](C)CC(C)(CO)CO)n1 ZINC000305113675 387044994 /nfs/dbraw/zinc/04/49/94/387044994.db2.gz JAUGYBAVWITZRR-UHFFFAOYSA-N 1 2 229.280 -0.199 20 0 BBADLO CCCC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000305173821 490446755 /nfs/dbraw/zinc/44/67/55/490446755.db2.gz FSRRJEGHMVDPKF-UHFFFAOYSA-N 1 2 244.335 -0.060 20 0 BBADLO O=C(C1CC1)N(CCO)CC[NH+]1CCOCC1 ZINC000305174571 490446693 /nfs/dbraw/zinc/44/66/93/490446693.db2.gz FWAXCXUXHJINKC-UHFFFAOYSA-N 1 2 242.319 -0.451 20 0 BBADLO CC(C)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000305223670 490450383 /nfs/dbraw/zinc/45/03/83/490450383.db2.gz UWQVBHDPODXMOC-UHFFFAOYSA-N 1 2 244.335 -0.205 20 0 BBADLO COC[C@@](C)(CCO)[NH2+]Cc1nccc(N)n1 ZINC000305254329 387053153 /nfs/dbraw/zinc/05/31/53/387053153.db2.gz WBWKASFIJBNOGA-LLVKDONJSA-N 1 2 240.307 -0.064 20 0 BBADLO COC[C@](C)(CCO)[NH2+]Cc1nccc(N)n1 ZINC000305254332 387587212 /nfs/dbraw/zinc/58/72/12/387587212.db2.gz WBWKASFIJBNOGA-NSHDSACASA-N 1 2 240.307 -0.064 20 0 BBADLO O=C(CO)N1CCN(CCn2cc[nH+]c2)CC1 ZINC000305712359 387062199 /nfs/dbraw/zinc/06/21/99/387062199.db2.gz FUIWASCOZPPPJK-UHFFFAOYSA-N 1 2 238.291 -0.980 20 0 BBADLO O=C(CO)N1CC[NH+](CCn2ccnc2)CC1 ZINC000305712359 387062196 /nfs/dbraw/zinc/06/21/96/387062196.db2.gz FUIWASCOZPPPJK-UHFFFAOYSA-N 1 2 238.291 -0.980 20 0 BBADLO O=C(CO)N1CC[NH+](CCn2cccn2)CC1 ZINC000305713431 387062469 /nfs/dbraw/zinc/06/24/69/387062469.db2.gz GCUSKZWKHQZHDP-UHFFFAOYSA-N 1 2 238.291 -0.980 20 0 BBADLO Cn1cc(C[NH+]2CCN(C(=O)CO)CC2)cn1 ZINC000305719617 387634833 /nfs/dbraw/zinc/63/48/33/387634833.db2.gz JCIIVISRBMHJTP-UHFFFAOYSA-N 1 2 238.291 -0.943 20 0 BBADLO CCOCC[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000305721322 387636339 /nfs/dbraw/zinc/63/63/39/387636339.db2.gz JWTABZFLDWHTBA-JTQLQIEISA-N 1 2 230.308 -0.452 20 0 BBADLO CCOCC[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000305721323 387635310 /nfs/dbraw/zinc/63/53/10/387635310.db2.gz JWTABZFLDWHTBA-SNVBAGLBSA-N 1 2 230.308 -0.452 20 0 BBADLO CC(=O)CC[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000305726542 636330263 /nfs/dbraw/zinc/33/02/63/636330263.db2.gz LSEMEFVRUSHVFO-JTQLQIEISA-N 1 2 228.292 -0.510 20 0 BBADLO CC(=O)CC[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000305726544 636331452 /nfs/dbraw/zinc/33/14/52/636331452.db2.gz LSEMEFVRUSHVFO-SNVBAGLBSA-N 1 2 228.292 -0.510 20 0 BBADLO O=C(C1CC(=O)C1)N1CC[NH+](CCO)CC1 ZINC000305727255 387637649 /nfs/dbraw/zinc/63/76/49/387637649.db2.gz SAJPSMLAJMDEBR-UHFFFAOYSA-N 1 2 226.276 -0.898 20 0 BBADLO COCC[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000305727395 174308931 /nfs/dbraw/zinc/30/89/31/174308931.db2.gz LZWRQDGPTKKMCV-SECBINFHSA-N 1 2 216.281 -0.842 20 0 BBADLO COCC[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000305727396 174307686 /nfs/dbraw/zinc/30/76/86/174307686.db2.gz LZWRQDGPTKKMCV-VIFPVBQESA-N 1 2 216.281 -0.842 20 0 BBADLO CC(C)(F)C(=O)N1CC[NH+](CCO)CC1 ZINC000305727974 643623739 /nfs/dbraw/zinc/62/37/39/643623739.db2.gz JBBJCIJLHLCBQZ-UHFFFAOYSA-N 1 2 218.272 -0.129 20 0 BBADLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+](C)CCO ZINC000305763205 177053129 /nfs/dbraw/zinc/05/31/29/177053129.db2.gz YZYMPCRRBXWPGN-SSDOTTSWSA-N 1 2 240.311 -0.495 20 0 BBADLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+](C)CCO ZINC000305763205 177053128 /nfs/dbraw/zinc/05/31/28/177053128.db2.gz YZYMPCRRBXWPGN-SSDOTTSWSA-N 1 2 240.311 -0.495 20 0 BBADLO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+](C)CCO ZINC000305763208 176037987 /nfs/dbraw/zinc/03/79/87/176037987.db2.gz YZYMPCRRBXWPGN-ZETCQYMHSA-N 1 2 240.311 -0.495 20 0 BBADLO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+](C)CCO ZINC000305763208 176037984 /nfs/dbraw/zinc/03/79/84/176037984.db2.gz YZYMPCRRBXWPGN-ZETCQYMHSA-N 1 2 240.311 -0.495 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000305770006 387063885 /nfs/dbraw/zinc/06/38/85/387063885.db2.gz JLDKWZVRCUVHMF-CRCLSJGQSA-N 1 2 214.187 -0.285 20 0 BBADLO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000305770006 387063882 /nfs/dbraw/zinc/06/38/82/387063882.db2.gz JLDKWZVRCUVHMF-CRCLSJGQSA-N 1 2 214.187 -0.285 20 0 BBADLO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000305770007 387064804 /nfs/dbraw/zinc/06/48/04/387064804.db2.gz JLDKWZVRCUVHMF-RFZPGFLSSA-N 1 2 214.187 -0.285 20 0 BBADLO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000305770007 387064802 /nfs/dbraw/zinc/06/48/02/387064802.db2.gz JLDKWZVRCUVHMF-RFZPGFLSSA-N 1 2 214.187 -0.285 20 0 BBADLO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000305770008 387063982 /nfs/dbraw/zinc/06/39/82/387063982.db2.gz JLDKWZVRCUVHMF-UHNVWZDZSA-N 1 2 214.187 -0.285 20 0 BBADLO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000305770008 387063979 /nfs/dbraw/zinc/06/39/79/387063979.db2.gz JLDKWZVRCUVHMF-UHNVWZDZSA-N 1 2 214.187 -0.285 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000305770009 387065189 /nfs/dbraw/zinc/06/51/89/387065189.db2.gz JLDKWZVRCUVHMF-WHFBIAKZSA-N 1 2 214.187 -0.285 20 0 BBADLO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000305770009 387065186 /nfs/dbraw/zinc/06/51/86/387065186.db2.gz JLDKWZVRCUVHMF-WHFBIAKZSA-N 1 2 214.187 -0.285 20 0 BBADLO CN(C)C(=O)C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000305780502 387653166 /nfs/dbraw/zinc/65/31/66/387653166.db2.gz SXPMGDKLMGQKKP-LURJTMIESA-N 1 2 228.214 -0.070 20 0 BBADLO CN(C)C(=O)C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000305780502 387653163 /nfs/dbraw/zinc/65/31/63/387653163.db2.gz SXPMGDKLMGQKKP-LURJTMIESA-N 1 2 228.214 -0.070 20 0 BBADLO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000305780503 387653268 /nfs/dbraw/zinc/65/32/68/387653268.db2.gz SXPMGDKLMGQKKP-ZCFIWIBFSA-N 1 2 228.214 -0.070 20 0 BBADLO CN(C)C(=O)C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000305780503 387653264 /nfs/dbraw/zinc/65/32/64/387653264.db2.gz SXPMGDKLMGQKKP-ZCFIWIBFSA-N 1 2 228.214 -0.070 20 0 BBADLO C[C@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@H]1CO ZINC000305788391 177102376 /nfs/dbraw/zinc/10/23/76/177102376.db2.gz ZBVONWXHUHDUDZ-YUMQZZPRSA-N 1 2 226.280 -0.309 20 0 BBADLO C[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)[C@H]1CO ZINC000305788391 177102375 /nfs/dbraw/zinc/10/23/75/177102375.db2.gz ZBVONWXHUHDUDZ-YUMQZZPRSA-N 1 2 226.280 -0.309 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)NC2(CO)CCCC2)C1 ZINC000305814368 388375269 /nfs/dbraw/zinc/37/52/69/388375269.db2.gz JJKZKRSNFHSXTO-JTQLQIEISA-N 1 2 242.319 -0.262 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)NC2(CO)CCCC2)C1 ZINC000305814368 388375266 /nfs/dbraw/zinc/37/52/66/388375266.db2.gz JJKZKRSNFHSXTO-JTQLQIEISA-N 1 2 242.319 -0.262 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)NC2(CO)CCCC2)C1 ZINC000305814370 388375485 /nfs/dbraw/zinc/37/54/85/388375485.db2.gz JJKZKRSNFHSXTO-SNVBAGLBSA-N 1 2 242.319 -0.262 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)NC2(CO)CCCC2)C1 ZINC000305814370 388375482 /nfs/dbraw/zinc/37/54/82/388375482.db2.gz JJKZKRSNFHSXTO-SNVBAGLBSA-N 1 2 242.319 -0.262 20 0 BBADLO CN(C)c1nc(N)nc(C[N@@H+](C)CCCO)n1 ZINC000305986778 384453852 /nfs/dbraw/zinc/45/38/52/384453852.db2.gz LOMWSLRPCPIKLE-UHFFFAOYSA-N 1 2 240.311 -0.666 20 0 BBADLO CN(C)c1nc(N)nc(C[N@H+](C)CCCO)n1 ZINC000305986778 384453847 /nfs/dbraw/zinc/45/38/47/384453847.db2.gz LOMWSLRPCPIKLE-UHFFFAOYSA-N 1 2 240.311 -0.666 20 0 BBADLO COc1c(N)nc[nH+]c1N(C)CCOCCO ZINC000306032558 343948791 /nfs/dbraw/zinc/94/87/91/343948791.db2.gz QDFAKLRPCIPWKN-UHFFFAOYSA-N 1 2 242.279 -0.488 20 0 BBADLO COc1c(N)[nH+]cnc1N(C)CCOCCO ZINC000306032558 343948789 /nfs/dbraw/zinc/94/87/89/343948789.db2.gz QDFAKLRPCIPWKN-UHFFFAOYSA-N 1 2 242.279 -0.488 20 0 BBADLO CN(CCOCCO)C(=O)CCn1cc[nH+]c1 ZINC000306056890 384529021 /nfs/dbraw/zinc/52/90/21/384529021.db2.gz VQZQXBSETOINQV-UHFFFAOYSA-N 1 2 241.291 -0.260 20 0 BBADLO CC[N@@H+](CCOCCO)Cc1nnc(C)n1C ZINC000306066212 387674138 /nfs/dbraw/zinc/67/41/38/387674138.db2.gz YGJWEHCPEAYWHZ-UHFFFAOYSA-N 1 2 242.323 -0.046 20 0 BBADLO CC[N@H+](CCOCCO)Cc1nnc(C)n1C ZINC000306066212 387674135 /nfs/dbraw/zinc/67/41/35/387674135.db2.gz YGJWEHCPEAYWHZ-UHFFFAOYSA-N 1 2 242.323 -0.046 20 0 BBADLO Cc1nc(N)nc(N2CCC[C@H]3C(=O)NC[C@H]32)[nH+]1 ZINC000306070969 384569879 /nfs/dbraw/zinc/56/98/79/384569879.db2.gz CBFIPNSRNDIPEN-HTQZYQBOSA-N 1 2 248.290 -0.523 20 0 BBADLO Cc1nc(N2CCC[C@H]3C(=O)NC[C@H]32)nc(N)[nH+]1 ZINC000306070969 384569875 /nfs/dbraw/zinc/56/98/75/384569875.db2.gz CBFIPNSRNDIPEN-HTQZYQBOSA-N 1 2 248.290 -0.523 20 0 BBADLO C[C@H](O)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000306191920 384771390 /nfs/dbraw/zinc/77/13/90/384771390.db2.gz YPZZVFAQQFSSJL-NTSWFWBYSA-N 1 2 208.208 -0.519 20 0 BBADLO C[C@@H](O)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000306191922 384771807 /nfs/dbraw/zinc/77/18/07/384771807.db2.gz YPZZVFAQQFSSJL-PHDIDXHHSA-N 1 2 208.208 -0.519 20 0 BBADLO C[C@@H](O)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000306191924 175978584 /nfs/dbraw/zinc/97/85/84/175978584.db2.gz YPZZVFAQQFSSJL-RITPCOANSA-N 1 2 208.208 -0.519 20 0 BBADLO C[C@H](O)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000306191926 384773963 /nfs/dbraw/zinc/77/39/63/384773963.db2.gz YPZZVFAQQFSSJL-WDSKDSINSA-N 1 2 208.208 -0.519 20 0 BBADLO C[C@@H]1C[N@H+](CCS(N)(=O)=O)C[C@H](C)O1 ZINC000306204515 537912138 /nfs/dbraw/zinc/91/21/38/537912138.db2.gz DPDKLRXTTFWGIN-OCAPTIKFSA-N 1 2 222.310 -0.616 20 0 BBADLO C[C@@H]1C[N@@H+](CCS(N)(=O)=O)C[C@H](C)O1 ZINC000306204515 537912134 /nfs/dbraw/zinc/91/21/34/537912134.db2.gz DPDKLRXTTFWGIN-OCAPTIKFSA-N 1 2 222.310 -0.616 20 0 BBADLO Cc1nnsc1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000306287860 359519232 /nfs/dbraw/zinc/51/92/32/359519232.db2.gz LUIIMWSCLUVSCC-KNVOCYPGSA-N 1 2 215.278 -0.616 20 0 BBADLO Cc1nnsc1C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000306287860 359519230 /nfs/dbraw/zinc/51/92/30/359519230.db2.gz LUIIMWSCLUVSCC-KNVOCYPGSA-N 1 2 215.278 -0.616 20 0 BBADLO CS(=O)(=O)[C@@H]1CCC[N@@H+](CCO)C1 ZINC000306382956 387990883 /nfs/dbraw/zinc/99/08/83/387990883.db2.gz BMCRRWCDKXFTAM-MRVPVSSYSA-N 1 2 207.295 -0.512 20 0 BBADLO CS(=O)(=O)[C@@H]1CCC[N@H+](CCO)C1 ZINC000306382956 387990878 /nfs/dbraw/zinc/99/08/78/387990878.db2.gz BMCRRWCDKXFTAM-MRVPVSSYSA-N 1 2 207.295 -0.512 20 0 BBADLO CS(=O)(=O)[C@H]1CCC[N@@H+](CCO)C1 ZINC000306382957 387990545 /nfs/dbraw/zinc/99/05/45/387990545.db2.gz BMCRRWCDKXFTAM-QMMMGPOBSA-N 1 2 207.295 -0.512 20 0 BBADLO CS(=O)(=O)[C@H]1CCC[N@H+](CCO)C1 ZINC000306382957 387990542 /nfs/dbraw/zinc/99/05/42/387990542.db2.gz BMCRRWCDKXFTAM-QMMMGPOBSA-N 1 2 207.295 -0.512 20 0 BBADLO O[C@@H]1COC[C@@H]1[NH2+]Cc1cscn1 ZINC000306420115 384623200 /nfs/dbraw/zinc/62/32/00/384623200.db2.gz WXEVONRUHPUTBY-JGVFFNPUSA-N 1 2 200.263 -0.008 20 0 BBADLO CNC(=S)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000306513292 635970526 /nfs/dbraw/zinc/97/05/26/635970526.db2.gz ACTFGQRBFYOUHX-MRVPVSSYSA-N 1 2 214.338 -0.920 20 0 BBADLO CNC(=S)NC[C@H]1C[NH+]2CCN1CC2 ZINC000306513293 635970002 /nfs/dbraw/zinc/97/00/02/635970002.db2.gz ACTFGQRBFYOUHX-QMMMGPOBSA-N 1 2 214.338 -0.920 20 0 BBADLO NC(=O)[C@@]1(O)CCC[N@@H+](CC(F)F)C1 ZINC000306560677 490641748 /nfs/dbraw/zinc/64/17/48/490641748.db2.gz MOWASZNAOAUECI-MRVPVSSYSA-N 1 2 208.208 -0.436 20 0 BBADLO NC(=O)[C@@]1(O)CCC[N@H+](CC(F)F)C1 ZINC000306560677 490641741 /nfs/dbraw/zinc/64/17/41/490641741.db2.gz MOWASZNAOAUECI-MRVPVSSYSA-N 1 2 208.208 -0.436 20 0 BBADLO NC(=O)[C@]1(O)CCC[N@@H+](CC(F)F)C1 ZINC000306560680 490641920 /nfs/dbraw/zinc/64/19/20/490641920.db2.gz MOWASZNAOAUECI-QMMMGPOBSA-N 1 2 208.208 -0.436 20 0 BBADLO NC(=O)[C@]1(O)CCC[N@H+](CC(F)F)C1 ZINC000306560680 490641917 /nfs/dbraw/zinc/64/19/17/490641917.db2.gz MOWASZNAOAUECI-QMMMGPOBSA-N 1 2 208.208 -0.436 20 0 BBADLO CS(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000306783000 323032106 /nfs/dbraw/zinc/03/21/06/323032106.db2.gz KTMWUXIJDMIYHV-UHFFFAOYSA-N 1 2 201.251 -0.301 20 0 BBADLO O=S(=O)(c1ncc[nH]1)N1CC[NH2+]CC1 ZINC000306872901 384691280 /nfs/dbraw/zinc/69/12/80/384691280.db2.gz WGKDDZYPVJAIRR-UHFFFAOYSA-N 1 2 216.266 -0.996 20 0 BBADLO C[C@@H](CO)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000306889372 387526793 /nfs/dbraw/zinc/52/67/93/387526793.db2.gz XKRJKNMURNBZFC-NTSWFWBYSA-N 1 2 208.208 -0.519 20 0 BBADLO C[C@H](CO)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000306889373 387526748 /nfs/dbraw/zinc/52/67/48/387526748.db2.gz XKRJKNMURNBZFC-PHDIDXHHSA-N 1 2 208.208 -0.519 20 0 BBADLO C[C@H](CO)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000306889374 385639599 /nfs/dbraw/zinc/63/95/99/385639599.db2.gz XKRJKNMURNBZFC-RITPCOANSA-N 1 2 208.208 -0.519 20 0 BBADLO C[C@@H](CO)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000306889375 175754559 /nfs/dbraw/zinc/75/45/59/175754559.db2.gz XKRJKNMURNBZFC-WDSKDSINSA-N 1 2 208.208 -0.519 20 0 BBADLO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC(O)C1 ZINC000306994006 387526473 /nfs/dbraw/zinc/52/64/73/387526473.db2.gz MHYWWHMJWVLUAC-LURJTMIESA-N 1 2 206.192 -0.813 20 0 BBADLO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC(O)C1 ZINC000306994007 387527002 /nfs/dbraw/zinc/52/70/02/387527002.db2.gz MHYWWHMJWVLUAC-ZCFIWIBFSA-N 1 2 206.192 -0.813 20 0 BBADLO C[C@H]1CSC[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000307272393 353452117 /nfs/dbraw/zinc/45/21/17/353452117.db2.gz UKEJNATUENSYCI-NTSWFWBYSA-N 1 2 214.294 -0.061 20 0 BBADLO C[C@@H]1CSC[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000307272394 353452269 /nfs/dbraw/zinc/45/22/69/353452269.db2.gz UKEJNATUENSYCI-PHDIDXHHSA-N 1 2 214.294 -0.061 20 0 BBADLO C[C@@H]1CSC[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000307272395 353452106 /nfs/dbraw/zinc/45/21/06/353452106.db2.gz UKEJNATUENSYCI-RITPCOANSA-N 1 2 214.294 -0.061 20 0 BBADLO C[C@H]1CSC[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000307272396 353452264 /nfs/dbraw/zinc/45/22/64/353452264.db2.gz UKEJNATUENSYCI-WDSKDSINSA-N 1 2 214.294 -0.061 20 0 BBADLO CCS(=O)(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000307371887 385683952 /nfs/dbraw/zinc/68/39/52/385683952.db2.gz QJENWYBYPWKFOX-LURJTMIESA-N 1 2 228.264 -0.125 20 0 BBADLO CCS(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000307371888 385685047 /nfs/dbraw/zinc/68/50/47/385685047.db2.gz QJENWYBYPWKFOX-ZCFIWIBFSA-N 1 2 228.264 -0.125 20 0 BBADLO CS(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000307482214 175428052 /nfs/dbraw/zinc/42/80/52/175428052.db2.gz LTTDTMONFLTKEE-RXMQYKEDSA-N 1 2 214.237 -0.515 20 0 BBADLO CS(=O)(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000307482216 386681616 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352633016 /nfs/dbraw/zinc/63/30/16/352633016.db2.gz RJXVDXCTRDNKLD-HTQZYQBOSA-N 1 2 215.278 -0.270 20 0 BBADLO OC[C@H]1C[N@@H+](Cc2nccs2)C[C@H]1O ZINC000307566196 398175238 /nfs/dbraw/zinc/17/52/38/398175238.db2.gz NZBBHDARNWIFBQ-HTQZYQBOSA-N 1 2 214.290 -0.072 20 0 BBADLO OC[C@H]1C[N@H+](Cc2nccs2)C[C@H]1O ZINC000307566196 398175235 /nfs/dbraw/zinc/17/52/35/398175235.db2.gz NZBBHDARNWIFBQ-HTQZYQBOSA-N 1 2 214.290 -0.072 20 0 BBADLO OC[C@@H]1C[N@@H+](Cc2nccs2)C[C@H]1O ZINC000307566198 398175368 /nfs/dbraw/zinc/17/53/68/398175368.db2.gz NZBBHDARNWIFBQ-JGVFFNPUSA-N 1 2 214.290 -0.072 20 0 BBADLO OC[C@@H]1C[N@H+](Cc2nccs2)C[C@H]1O ZINC000307566198 398175365 /nfs/dbraw/zinc/17/53/65/398175365.db2.gz NZBBHDARNWIFBQ-JGVFFNPUSA-N 1 2 214.290 -0.072 20 0 BBADLO OC[C@H]1C[N@@H+](Cc2nccs2)C[C@@H]1O ZINC000307566200 398175377 /nfs/dbraw/zinc/17/53/77/398175377.db2.gz NZBBHDARNWIFBQ-SFYZADRCSA-N 1 2 214.290 -0.072 20 0 BBADLO OC[C@H]1C[N@H+](Cc2nccs2)C[C@@H]1O ZINC000307566200 398175373 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ZINC000307993910 488171375 /nfs/dbraw/zinc/17/13/75/488171375.db2.gz ZQMPNXOBBFFUTL-HTQZYQBOSA-N 1 2 243.225 -0.007 20 0 BBADLO OC[C@@H]1COCC[N@@H+]1C[C@H](O)CC(F)(F)F ZINC000307993910 488171373 /nfs/dbraw/zinc/17/13/73/488171373.db2.gz ZQMPNXOBBFFUTL-HTQZYQBOSA-N 1 2 243.225 -0.007 20 0 BBADLO OC[C@@H]1COCC[N@H+]1C[C@@H](O)CC(F)(F)F ZINC000307993914 488171398 /nfs/dbraw/zinc/17/13/98/488171398.db2.gz ZQMPNXOBBFFUTL-SFYZADRCSA-N 1 2 243.225 -0.007 20 0 BBADLO OC[C@@H]1COCC[N@@H+]1C[C@@H](O)CC(F)(F)F ZINC000307993914 488171397 /nfs/dbraw/zinc/17/13/97/488171397.db2.gz ZQMPNXOBBFFUTL-SFYZADRCSA-N 1 2 243.225 -0.007 20 0 BBADLO C[N@H+](Cc1nccs1)C[C@@H](O)CO ZINC000308111891 642369898 /nfs/dbraw/zinc/36/98/98/642369898.db2.gz PGYKJMDINRANDR-SSDOTTSWSA-N 1 2 202.279 -0.072 20 0 BBADLO C[N@@H+](Cc1nccs1)C[C@@H](O)CO ZINC000308111891 642369895 /nfs/dbraw/zinc/36/98/95/642369895.db2.gz PGYKJMDINRANDR-SSDOTTSWSA-N 1 2 202.279 -0.072 20 0 BBADLO C[N@H+](Cc1nccs1)C[C@H](O)CO ZINC000308111892 642369189 /nfs/dbraw/zinc/36/91/89/642369189.db2.gz PGYKJMDINRANDR-ZETCQYMHSA-N 1 2 202.279 -0.072 20 0 BBADLO C[N@@H+](Cc1nccs1)C[C@H](O)CO ZINC000308111892 642369184 /nfs/dbraw/zinc/36/91/84/642369184.db2.gz PGYKJMDINRANDR-ZETCQYMHSA-N 1 2 202.279 -0.072 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+](C)CCNC(C)=O ZINC000308170906 346715997 /nfs/dbraw/zinc/71/59/97/346715997.db2.gz VWUHMZNKSXPKGB-SSDOTTSWSA-N 1 2 202.254 -0.384 20 0 BBADLO COC(=O)[C@@H](C)[N@H+](C)CCNC(C)=O ZINC000308170906 346715995 /nfs/dbraw/zinc/71/59/95/346715995.db2.gz VWUHMZNKSXPKGB-SSDOTTSWSA-N 1 2 202.254 -0.384 20 0 BBADLO COC(=O)[C@H](C)[N@@H+](C)CCNC(C)=O ZINC000308170907 346716047 /nfs/dbraw/zinc/71/60/47/346716047.db2.gz VWUHMZNKSXPKGB-ZETCQYMHSA-N 1 2 202.254 -0.384 20 0 BBADLO COC(=O)[C@H](C)[N@H+](C)CCNC(C)=O ZINC000308170907 346716045 /nfs/dbraw/zinc/71/60/45/346716045.db2.gz VWUHMZNKSXPKGB-ZETCQYMHSA-N 1 2 202.254 -0.384 20 0 BBADLO COc1c(N)nc[nH+]c1N(C)CCNC(C)=O ZINC000308196424 488196236 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YQLMMLUFNQIWNW-UHFFFAOYSA-N 1 2 205.239 -0.202 20 0 BBADLO C[N@H+](CC(N)=O)C[C@H](O)C(F)(F)F ZINC000308444859 384720666 /nfs/dbraw/zinc/72/06/66/384720666.db2.gz AWAQAUWEYMEQDS-BYPYZUCNSA-N 1 2 200.160 -0.673 20 0 BBADLO C[N@@H+](CC(N)=O)C[C@H](O)C(F)(F)F ZINC000308444859 384720662 /nfs/dbraw/zinc/72/06/62/384720662.db2.gz AWAQAUWEYMEQDS-BYPYZUCNSA-N 1 2 200.160 -0.673 20 0 BBADLO C[N@H+](CC(N)=O)C[C@@H](O)C(F)(F)F ZINC000308444862 384720525 /nfs/dbraw/zinc/72/05/25/384720525.db2.gz AWAQAUWEYMEQDS-SCSAIBSYSA-N 1 2 200.160 -0.673 20 0 BBADLO C[N@@H+](CC(N)=O)C[C@@H](O)C(F)(F)F ZINC000308444862 384720518 /nfs/dbraw/zinc/72/05/18/384720518.db2.gz AWAQAUWEYMEQDS-SCSAIBSYSA-N 1 2 200.160 -0.673 20 0 BBADLO CCOC(=O)C[N@@H+](CCO)C[C@@H](C)O ZINC000308451953 170217198 /nfs/dbraw/zinc/21/71/98/170217198.db2.gz BUUGXBDNZNUEIW-MRVPVSSYSA-N 1 2 205.254 -0.775 20 0 BBADLO CCOC(=O)C[N@H+](CCO)C[C@@H](C)O ZINC000308451953 170217197 /nfs/dbraw/zinc/21/71/97/170217197.db2.gz BUUGXBDNZNUEIW-MRVPVSSYSA-N 1 2 205.254 -0.775 20 0 BBADLO CCOC(=O)C[N@@H+](CCO)C[C@H](C)O ZINC000308451955 170216499 /nfs/dbraw/zinc/21/64/99/170216499.db2.gz BUUGXBDNZNUEIW-QMMMGPOBSA-N 1 2 205.254 -0.775 20 0 BBADLO CCOC(=O)C[N@H+](CCO)C[C@H](C)O ZINC000308451955 170216498 /nfs/dbraw/zinc/21/64/98/170216498.db2.gz BUUGXBDNZNUEIW-QMMMGPOBSA-N 1 2 205.254 -0.775 20 0 BBADLO C[NH+](C)CCNS(=O)(=O)c1ncc[nH]1 ZINC000308457187 409692401 /nfs/dbraw/zinc/69/24/01/409692401.db2.gz CBCTZRODVKKVMH-UHFFFAOYSA-N 1 2 218.282 -0.750 20 0 BBADLO COC(=O)NCCNc1[nH+]cnc(N)c1OC ZINC000308490973 534124430 /nfs/dbraw/zinc/12/44/30/534124430.db2.gz RDABAEYVXDGXGN-UHFFFAOYSA-N 1 2 241.251 -0.165 20 0 BBADLO COC(=O)NCCNc1nc[nH+]c(N)c1OC ZINC000308490973 534124426 /nfs/dbraw/zinc/12/44/26/534124426.db2.gz RDABAEYVXDGXGN-UHFFFAOYSA-N 1 2 241.251 -0.165 20 0 BBADLO COC[C@@](C)([NH2+]CCCO)C(=O)OC ZINC000308497764 384751696 /nfs/dbraw/zinc/75/16/96/384751696.db2.gz FAGIGYPBNVXADV-SECBINFHSA-N 1 2 205.254 -0.464 20 0 BBADLO COC[C@](C)([NH2+]CCCO)C(=O)OC ZINC000308497765 386439420 /nfs/dbraw/zinc/43/94/20/386439420.db2.gz FAGIGYPBNVXADV-VIFPVBQESA-N 1 2 205.254 -0.464 20 0 BBADLO COCC[N@@H+](CCO)Cc1cnns1 ZINC000308558699 342853980 /nfs/dbraw/zinc/85/39/80/342853980.db2.gz CUKZSYFRWZUDPZ-UHFFFAOYSA-N 1 2 217.294 -0.021 20 0 BBADLO COCC[N@H+](CCO)Cc1cnns1 ZINC000308558699 342853979 /nfs/dbraw/zinc/85/39/79/342853979.db2.gz CUKZSYFRWZUDPZ-UHFFFAOYSA-N 1 2 217.294 -0.021 20 0 BBADLO Cc1nnsc1C[NH+](CCO)CCO ZINC000308575558 347874124 /nfs/dbraw/zinc/87/41/24/347874124.db2.gz MMXBADBQRZJNIO-UHFFFAOYSA-N 1 2 217.294 -0.367 20 0 BBADLO C[N@@H+](CCOCCO)Cc1cnns1 ZINC000308581253 342856882 /nfs/dbraw/zinc/85/68/82/342856882.db2.gz PGDKVLJORJCXHI-UHFFFAOYSA-N 1 2 217.294 -0.021 20 0 BBADLO C[N@H+](CCOCCO)Cc1cnns1 ZINC000308581253 342856881 /nfs/dbraw/zinc/85/68/81/342856881.db2.gz PGDKVLJORJCXHI-UHFFFAOYSA-N 1 2 217.294 -0.021 20 0 BBADLO COC(=O)C[NH2+]C(C)(C)CN1CCOCC1 ZINC000308587399 388444407 /nfs/dbraw/zinc/44/44/07/388444407.db2.gz OWGBJKBQXGWOOW-UHFFFAOYSA-N 1 2 230.308 -0.140 20 0 BBADLO COC(=O)CNC(C)(C)C[NH+]1CCOCC1 ZINC000308587399 388444406 /nfs/dbraw/zinc/44/44/06/388444406.db2.gz OWGBJKBQXGWOOW-UHFFFAOYSA-N 1 2 230.308 -0.140 20 0 BBADLO CN(C)S(=O)(=O)NCCn1cc[nH+]c1 ZINC000308590223 384826336 /nfs/dbraw/zinc/82/63/36/384826336.db2.gz UXZDVMPZRWBUCC-UHFFFAOYSA-N 1 2 218.282 -0.721 20 0 BBADLO COC(=O)C[N@H+]1C[C@@H](OC)C[C@H]1CO ZINC000308593928 384836943 /nfs/dbraw/zinc/83/69/43/384836943.db2.gz XHFWQUAACATQMA-YUMQZZPRSA-N 1 2 203.238 -0.759 20 0 BBADLO COC(=O)C[N@@H+]1C[C@@H](OC)C[C@H]1CO ZINC000308593928 384836940 /nfs/dbraw/zinc/83/69/40/384836940.db2.gz XHFWQUAACATQMA-YUMQZZPRSA-N 1 2 203.238 -0.759 20 0 BBADLO COCC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000308610441 342857801 /nfs/dbraw/zinc/85/78/01/342857801.db2.gz YBGXFQLRNLOJMA-UHFFFAOYSA-N 1 2 230.308 -0.140 20 0 BBADLO CNC(=O)C[C@H](C)[NH2+]CC(F)(F)CO ZINC000308630328 173282007 /nfs/dbraw/zinc/28/20/07/173282007.db2.gz YPROKLFVLKEIKJ-LURJTMIESA-N 1 2 210.224 -0.272 20 0 BBADLO CNC(=O)C[C@@H](C)[NH2+]CC(F)(F)CO ZINC000308630329 173280427 /nfs/dbraw/zinc/28/04/27/173280427.db2.gz YPROKLFVLKEIKJ-ZCFIWIBFSA-N 1 2 210.224 -0.272 20 0 BBADLO CC[N@@H+](C/C=C(\C)C(=O)OC)CC(N)=O ZINC000308774913 631639898 /nfs/dbraw/zinc/63/98/98/631639898.db2.gz XUEYJBOGOOSLNQ-VMPITWQZSA-N 1 2 214.265 -0.087 20 0 BBADLO CC[N@H+](C/C=C(\C)C(=O)OC)CC(N)=O ZINC000308774913 631639895 /nfs/dbraw/zinc/63/98/95/631639895.db2.gz XUEYJBOGOOSLNQ-VMPITWQZSA-N 1 2 214.265 -0.087 20 0 BBADLO Nc1nc(N)nc(C[N@@H+]2CC=CCC2)n1 ZINC000308822078 491138481 /nfs/dbraw/zinc/13/84/81/491138481.db2.gz GVXOTVJAVATHLF-UHFFFAOYSA-N 1 2 206.253 -0.202 20 0 BBADLO Nc1nc(N)nc(C[N@H+]2CC=CCC2)n1 ZINC000308822078 491138480 /nfs/dbraw/zinc/13/84/80/491138480.db2.gz GVXOTVJAVATHLF-UHFFFAOYSA-N 1 2 206.253 -0.202 20 0 BBADLO CCOC(=O)CNC(=O)Cn1cc[nH+]c1 ZINC000308822384 348711696 /nfs/dbraw/zinc/71/16/96/348711696.db2.gz KABDXZLLDVCGNR-UHFFFAOYSA-N 1 2 211.221 -0.438 20 0 BBADLO CC(C)N1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000308828613 188165164 /nfs/dbraw/zinc/16/51/64/188165164.db2.gz SHDWCDLJNWHDAN-GHMZBOCLSA-N 1 2 214.309 -0.228 20 0 BBADLO CC(C)N1CC[NH+]([C@@H]2COC[C@@H]2O)CC1 ZINC000308828615 187650207 /nfs/dbraw/zinc/65/02/07/187650207.db2.gz SHDWCDLJNWHDAN-MNOVXSKESA-N 1 2 214.309 -0.228 20 0 BBADLO CC(C)N1CC[NH+]([C@H]2COC[C@@H]2O)CC1 ZINC000308828617 188279309 /nfs/dbraw/zinc/27/93/09/188279309.db2.gz SHDWCDLJNWHDAN-QWRGUYRKSA-N 1 2 214.309 -0.228 20 0 BBADLO CC(C)N1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000308828619 188341640 /nfs/dbraw/zinc/34/16/40/188341640.db2.gz SHDWCDLJNWHDAN-WDEREUQCSA-N 1 2 214.309 -0.228 20 0 BBADLO Cn1ncc(C[NH2+]C2COCCOC2)n1 ZINC000308837076 631677285 /nfs/dbraw/zinc/67/72/85/631677285.db2.gz IPKKNLUGFAYJRG-UHFFFAOYSA-N 1 2 212.253 -0.680 20 0 BBADLO CNC(=O)[C@@H](C)NCc1[nH+]cc(C)n1C ZINC000308845754 173295311 /nfs/dbraw/zinc/29/53/11/173295311.db2.gz ACQLFOWGYRNMLC-MRVPVSSYSA-N 1 2 210.281 -0.047 20 0 BBADLO CNC(=O)[C@@H](C)[NH2+]Cc1ncc(C)n1C ZINC000308845754 173295310 /nfs/dbraw/zinc/29/53/10/173295310.db2.gz ACQLFOWGYRNMLC-MRVPVSSYSA-N 1 2 210.281 -0.047 20 0 BBADLO CNC(=O)[C@H](C)NCc1[nH+]cc(C)n1C ZINC000308845756 173303015 /nfs/dbraw/zinc/30/30/15/173303015.db2.gz ACQLFOWGYRNMLC-QMMMGPOBSA-N 1 2 210.281 -0.047 20 0 BBADLO CNC(=O)[C@H](C)[NH2+]Cc1ncc(C)n1C ZINC000308845756 173303014 /nfs/dbraw/zinc/30/30/14/173303014.db2.gz ACQLFOWGYRNMLC-QMMMGPOBSA-N 1 2 210.281 -0.047 20 0 BBADLO Cc1nc(N)nc(N2CCCOCC2)[nH+]1 ZINC000308846449 385206495 /nfs/dbraw/zinc/20/64/95/385206495.db2.gz FMNVFWFOHFSROB-UHFFFAOYSA-N 1 2 209.253 -0.011 20 0 BBADLO Cc1nc(N2CCCOCC2)nc(N)[nH+]1 ZINC000308846449 385206489 /nfs/dbraw/zinc/20/64/89/385206489.db2.gz FMNVFWFOHFSROB-UHFFFAOYSA-N 1 2 209.253 -0.011 20 0 BBADLO C[C@@H]1CN(S(=O)(=O)c2ncc[nH]2)CC[NH2+]1 ZINC000308848184 385211161 /nfs/dbraw/zinc/21/11/61/385211161.db2.gz LXXAFGQTEWLBQT-SSDOTTSWSA-N 1 2 230.293 -0.608 20 0 BBADLO C[C@H]1CN(S(=O)(=O)c2ncc[nH]2)CC[NH2+]1 ZINC000308848185 398098170 /nfs/dbraw/zinc/09/81/70/398098170.db2.gz LXXAFGQTEWLBQT-ZETCQYMHSA-N 1 2 230.293 -0.608 20 0 BBADLO NC(=O)[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000308848849 136216864 /nfs/dbraw/zinc/21/68/64/136216864.db2.gz QIKBXGQKGZCLFF-JTQLQIEISA-N 1 2 207.233 -0.492 20 0 BBADLO NC(=O)[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000308848851 136216794 /nfs/dbraw/zinc/21/67/94/136216794.db2.gz QIKBXGQKGZCLFF-SNVBAGLBSA-N 1 2 207.233 -0.492 20 0 BBADLO Cc1nc(N)nc(N[C@@H](C)C[S@@](C)=O)[nH+]1 ZINC000308851204 346926651 /nfs/dbraw/zinc/92/66/51/346926651.db2.gz HCKDFWDTRMVVCV-AANKLQPISA-N 1 2 229.309 -0.059 20 0 BBADLO Cc1nc(N)nc(N[C@H](C)C[S@](C)=O)[nH+]1 ZINC000308851205 346926622 /nfs/dbraw/zinc/92/66/22/346926622.db2.gz HCKDFWDTRMVVCV-BMSCFWOVSA-N 1 2 229.309 -0.059 20 0 BBADLO Cc1nc(N)nc(N[C@H](C)C[S@@](C)=O)[nH+]1 ZINC000308851206 346926644 /nfs/dbraw/zinc/92/66/44/346926644.db2.gz HCKDFWDTRMVVCV-MQWCLQQTSA-N 1 2 229.309 -0.059 20 0 BBADLO Cc1nc(N)nc(N[C@@H](C)C[S@](C)=O)[nH+]1 ZINC000308851207 346926673 /nfs/dbraw/zinc/92/66/73/346926673.db2.gz HCKDFWDTRMVVCV-SPHRHWQCSA-N 1 2 229.309 -0.059 20 0 BBADLO Cc1nc(N)nc(NCC2(CO)CC2)[nH+]1 ZINC000308853456 385899459 /nfs/dbraw/zinc/89/94/59/385899459.db2.gz HUHCRLRCWZCEAK-UHFFFAOYSA-N 1 2 209.253 -0.053 20 0 BBADLO Cc1nc(NCC2(CO)CC2)nc(N)[nH+]1 ZINC000308853456 385899457 /nfs/dbraw/zinc/89/94/57/385899457.db2.gz HUHCRLRCWZCEAK-UHFFFAOYSA-N 1 2 209.253 -0.053 20 0 BBADLO CO[C@@H]1CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000308861561 631702100 /nfs/dbraw/zinc/70/21/00/631702100.db2.gz JVXYAFHZICHWJG-SSDOTTSWSA-N 1 2 209.253 -0.013 20 0 BBADLO CO[C@H]1CCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000308861563 385902288 /nfs/dbraw/zinc/90/22/88/385902288.db2.gz JVXYAFHZICHWJG-ZETCQYMHSA-N 1 2 209.253 -0.013 20 0 BBADLO CO[C@H]1CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000308861563 385902285 /nfs/dbraw/zinc/90/22/85/385902285.db2.gz JVXYAFHZICHWJG-ZETCQYMHSA-N 1 2 209.253 -0.013 20 0 BBADLO Cn1c(Cl)cnc1C[NH2+][C@@H]1COC[C@@H]1O ZINC000308865876 631998496 /nfs/dbraw/zinc/99/84/96/631998496.db2.gz FLADYWMQXHCBQH-RQJHMYQMSA-N 1 2 231.683 -0.077 20 0 BBADLO Cc1nc(N)nc(N2CCO[C@@H](C)C2)[nH+]1 ZINC000308865988 385903109 /nfs/dbraw/zinc/90/31/09/385903109.db2.gz LBNUDQFCKJKFQR-LURJTMIESA-N 1 2 209.253 -0.013 20 0 BBADLO Cc1nc(N2CCO[C@@H](C)C2)nc(N)[nH+]1 ZINC000308865988 385903104 /nfs/dbraw/zinc/90/31/04/385903104.db2.gz LBNUDQFCKJKFQR-LURJTMIESA-N 1 2 209.253 -0.013 20 0 BBADLO Cc1nc(N)nc(N2CCO[C@H](C)C2)[nH+]1 ZINC000308865989 385903648 /nfs/dbraw/zinc/90/36/48/385903648.db2.gz LBNUDQFCKJKFQR-ZCFIWIBFSA-N 1 2 209.253 -0.013 20 0 BBADLO Cc1nc(N2CCO[C@H](C)C2)nc(N)[nH+]1 ZINC000308865989 385903642 /nfs/dbraw/zinc/90/36/42/385903642.db2.gz LBNUDQFCKJKFQR-ZCFIWIBFSA-N 1 2 209.253 -0.013 20 0 BBADLO CN1CN(Cc2cc[nH+]c(N)c2)CC1=O ZINC000308866494 136216925 /nfs/dbraw/zinc/21/69/25/136216925.db2.gz XCNFTGNNIQGOIG-UHFFFAOYSA-N 1 2 206.249 -0.105 20 0 BBADLO Cn1nnc(C[NH2+]C[C@H]2CCC=CO2)n1 ZINC000308868779 631699548 /nfs/dbraw/zinc/69/95/48/631699548.db2.gz HUVWUJMYPUZLTL-MRVPVSSYSA-N 1 2 209.253 -0.008 20 0 BBADLO Cn1nnc(C[NH2+]C[C@@H]2CCC=CO2)n1 ZINC000308868781 632017602 /nfs/dbraw/zinc/01/76/02/632017602.db2.gz HUVWUJMYPUZLTL-QMMMGPOBSA-N 1 2 209.253 -0.008 20 0 BBADLO Cn1ccc(C[NH2+]Cc2nnn(C)n2)c1 ZINC000308878914 385233352 /nfs/dbraw/zinc/23/33/52/385233352.db2.gz OYCCQAAPNIMWLD-UHFFFAOYSA-N 1 2 206.253 -0.162 20 0 BBADLO C[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ncc[nH]1 ZINC000308885963 385904329 /nfs/dbraw/zinc/90/43/29/385904329.db2.gz WTVJMNGXPUSWIN-SSDOTTSWSA-N 1 2 230.293 -0.608 20 0 BBADLO COC(=O)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000308889143 349034239 /nfs/dbraw/zinc/03/42/39/349034239.db2.gz XQODSENGOGKYCE-SSDOTTSWSA-N 1 2 211.221 -0.439 20 0 BBADLO COC(=O)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000308889145 323180850 /nfs/dbraw/zinc/18/08/50/323180850.db2.gz XQODSENGOGKYCE-ZETCQYMHSA-N 1 2 211.221 -0.439 20 0 BBADLO Cn1nnc(C[NH2+][C@@H](CO)C(C)(C)C)n1 ZINC000308893646 180860640 /nfs/dbraw/zinc/86/06/40/180860640.db2.gz YNOQYPOXFXOFIZ-ZETCQYMHSA-N 1 2 213.285 -0.293 20 0 BBADLO Cc1nc(N)nc(NC[C@@H](O)C2CC2)[nH+]1 ZINC000308895702 385249386 /nfs/dbraw/zinc/24/93/86/385249386.db2.gz SGCHHTNHXAESFZ-SSDOTTSWSA-N 1 2 209.253 -0.055 20 0 BBADLO Cc1nc(NC[C@@H](O)C2CC2)nc(N)[nH+]1 ZINC000308895702 385249384 /nfs/dbraw/zinc/24/93/84/385249384.db2.gz SGCHHTNHXAESFZ-SSDOTTSWSA-N 1 2 209.253 -0.055 20 0 BBADLO Cc1nc(N)nc(NC[C@H](O)C2CC2)[nH+]1 ZINC000308895703 385250650 /nfs/dbraw/zinc/25/06/50/385250650.db2.gz SGCHHTNHXAESFZ-ZETCQYMHSA-N 1 2 209.253 -0.055 20 0 BBADLO Cc1nc(NC[C@H](O)C2CC2)nc(N)[nH+]1 ZINC000308895703 385250644 /nfs/dbraw/zinc/25/06/44/385250644.db2.gz SGCHHTNHXAESFZ-ZETCQYMHSA-N 1 2 209.253 -0.055 20 0 BBADLO O=C(Cn1cc[nH+]c1)NCC1(CO)CC1 ZINC000308896609 491139856 /nfs/dbraw/zinc/13/98/56/491139856.db2.gz ZNSHYONASYDBFT-UHFFFAOYSA-N 1 2 209.249 -0.228 20 0 BBADLO CCN(C)C(=O)C[NH2+]Cc1cn(C)cn1 ZINC000308898154 632107838 /nfs/dbraw/zinc/10/78/38/632107838.db2.gz JKCABXRRRMQKPS-UHFFFAOYSA-N 1 2 210.281 -0.012 20 0 BBADLO CNC(=O)[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC000308898641 491139955 /nfs/dbraw/zinc/13/99/55/491139955.db2.gz ASOLOLASZRGGHF-SSDOTTSWSA-N 1 2 210.237 -0.696 20 0 BBADLO CNC(=O)[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC000308898642 491139948 /nfs/dbraw/zinc/13/99/48/491139948.db2.gz ASOLOLASZRGGHF-ZETCQYMHSA-N 1 2 210.237 -0.696 20 0 BBADLO CC[N@H+]1CCN(S(=O)(=O)N(C)C)C[C@H]1C ZINC000308906430 491140022 /nfs/dbraw/zinc/14/00/22/491140022.db2.gz LLSGYCOEAYJJRN-SECBINFHSA-N 1 2 235.353 -0.181 20 0 BBADLO CC[N@@H+]1CCN(S(=O)(=O)N(C)C)C[C@H]1C ZINC000308906430 491140021 /nfs/dbraw/zinc/14/00/21/491140021.db2.gz LLSGYCOEAYJJRN-SECBINFHSA-N 1 2 235.353 -0.181 20 0 BBADLO CC[N@H+]1CCN(S(=O)(=O)N(C)C)C[C@@H]1C ZINC000308906435 491140025 /nfs/dbraw/zinc/14/00/25/491140025.db2.gz LLSGYCOEAYJJRN-VIFPVBQESA-N 1 2 235.353 -0.181 20 0 BBADLO CC[N@@H+]1CCN(S(=O)(=O)N(C)C)C[C@@H]1C ZINC000308906435 491140024 /nfs/dbraw/zinc/14/00/24/491140024.db2.gz LLSGYCOEAYJJRN-VIFPVBQESA-N 1 2 235.353 -0.181 20 0 BBADLO COC(=O)C[NH2+][C@H](CO)C1CCOCC1 ZINC000308906549 385282370 /nfs/dbraw/zinc/28/23/70/385282370.db2.gz CRLYWTROMVKXKD-SECBINFHSA-N 1 2 217.265 -0.464 20 0 BBADLO COC(=O)C[NH2+][C@@H](CO)C1CCOCC1 ZINC000308906734 173606319 /nfs/dbraw/zinc/60/63/19/173606319.db2.gz CRLYWTROMVKXKD-VIFPVBQESA-N 1 2 217.265 -0.464 20 0 BBADLO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)OC ZINC000308915884 173299500 /nfs/dbraw/zinc/29/95/00/173299500.db2.gz FWZQCJUDYOCHCR-HTQZYQBOSA-N 1 2 214.265 -0.336 20 0 BBADLO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC(=O)OC ZINC000308915888 173307576 /nfs/dbraw/zinc/30/75/76/173307576.db2.gz FWZQCJUDYOCHCR-JGVFFNPUSA-N 1 2 214.265 -0.336 20 0 BBADLO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)OC ZINC000308915892 173299319 /nfs/dbraw/zinc/29/93/19/173299319.db2.gz FWZQCJUDYOCHCR-SFYZADRCSA-N 1 2 214.265 -0.336 20 0 BBADLO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)OC ZINC000308915898 173307890 /nfs/dbraw/zinc/30/78/90/173307890.db2.gz FWZQCJUDYOCHCR-YUMQZZPRSA-N 1 2 214.265 -0.336 20 0 BBADLO COC(=O)N1CC([NH2+]Cc2cnc[nH]2)C1 ZINC000308923515 631746723 /nfs/dbraw/zinc/74/67/23/631746723.db2.gz HOCDAKMHBPJNPZ-UHFFFAOYSA-N 1 2 210.237 -0.050 20 0 BBADLO CNS(=O)(=O)CC[NH2+]Cc1ccn(C)n1 ZINC000308927006 323181735 /nfs/dbraw/zinc/18/17/35/323181735.db2.gz IMSVHDPIFNDPPZ-UHFFFAOYSA-N 1 2 232.309 -0.941 20 0 BBADLO OCC(CO)[NH2+]Cc1coc(C2CC2)n1 ZINC000308935725 631744545 /nfs/dbraw/zinc/74/45/45/631744545.db2.gz OAONVWFYFCREBW-UHFFFAOYSA-N 1 2 212.249 -0.005 20 0 BBADLO CNS(=O)(=O)CC[NH2+][C@H](C)c1ncc[nH]1 ZINC000308942485 491140763 /nfs/dbraw/zinc/14/07/63/491140763.db2.gz MQZCETAOPCQXRP-SSDOTTSWSA-N 1 2 232.309 -0.391 20 0 BBADLO CNS(=O)(=O)CC[NH2+][C@@H](C)c1ncc[nH]1 ZINC000308942490 491140798 /nfs/dbraw/zinc/14/07/98/491140798.db2.gz MQZCETAOPCQXRP-ZETCQYMHSA-N 1 2 232.309 -0.391 20 0 BBADLO COC(=O)C(C)(C)[NH2+]C[C@@H]1CCC(=O)N1 ZINC000308945516 349178606 /nfs/dbraw/zinc/17/86/06/349178606.db2.gz NORZXNJWTATIIY-ZETCQYMHSA-N 1 2 214.265 -0.194 20 0 BBADLO COC[C@@H]([NH2+]C1CCOCC1)C(=O)OC ZINC000308967271 385317984 /nfs/dbraw/zinc/31/79/84/385317984.db2.gz WRBFTESKNRSROX-SECBINFHSA-N 1 2 217.265 -0.057 20 0 BBADLO COC[C@H]([NH2+]C1CCOCC1)C(=O)OC ZINC000308967272 385319138 /nfs/dbraw/zinc/31/91/38/385319138.db2.gz WRBFTESKNRSROX-VIFPVBQESA-N 1 2 217.265 -0.057 20 0 BBADLO Cc1nnc(C[N@H+](CCO)C[C@@H](C)O)[nH]1 ZINC000308979795 385323338 /nfs/dbraw/zinc/32/33/38/385323338.db2.gz JTCGGHGGJYWJEQ-SSDOTTSWSA-N 1 2 214.269 -0.712 20 0 BBADLO Cc1nnc(C[N@@H+](CCO)C[C@@H](C)O)[nH]1 ZINC000308979795 385323333 /nfs/dbraw/zinc/32/33/33/385323333.db2.gz JTCGGHGGJYWJEQ-SSDOTTSWSA-N 1 2 214.269 -0.712 20 0 BBADLO Cc1nnc(C[N@H+](CCO)C[C@H](C)O)[nH]1 ZINC000308979799 385322731 /nfs/dbraw/zinc/32/27/31/385322731.db2.gz JTCGGHGGJYWJEQ-ZETCQYMHSA-N 1 2 214.269 -0.712 20 0 BBADLO Cc1nnc(C[N@@H+](CCO)C[C@H](C)O)[nH]1 ZINC000308979799 385322725 /nfs/dbraw/zinc/32/27/25/385322725.db2.gz JTCGGHGGJYWJEQ-ZETCQYMHSA-N 1 2 214.269 -0.712 20 0 BBADLO Cn1cc(C[NH2+][C@@H]2CC(=O)N(C)C2)nn1 ZINC000308980961 385324069 /nfs/dbraw/zinc/32/40/69/385324069.db2.gz DVRJWUVPFHEWHX-SSDOTTSWSA-N 1 2 209.253 -0.865 20 0 BBADLO Cn1cc(C[NH2+][C@H]2CC(=O)N(C)C2)nn1 ZINC000308980963 173187274 /nfs/dbraw/zinc/18/72/74/173187274.db2.gz DVRJWUVPFHEWHX-ZETCQYMHSA-N 1 2 209.253 -0.865 20 0 BBADLO COCC[N@@H+](CCO)Cc1nnc(C)[nH]1 ZINC000308990889 174295234 /nfs/dbraw/zinc/29/52/34/174295234.db2.gz NSINLBYUESKPFD-UHFFFAOYSA-N 1 2 214.269 -0.446 20 0 BBADLO COCC[N@H+](CCO)Cc1nnc(C)[nH]1 ZINC000308990889 174295232 /nfs/dbraw/zinc/29/52/32/174295232.db2.gz NSINLBYUESKPFD-UHFFFAOYSA-N 1 2 214.269 -0.446 20 0 BBADLO Cn1nnc(C[N@H+]2CC[C@@H](O)C2(C)C)n1 ZINC000308991305 385333789 /nfs/dbraw/zinc/33/37/89/385333789.db2.gz NYRMDYGDNSCBNA-SSDOTTSWSA-N 1 2 211.269 -0.445 20 0 BBADLO Cn1nnc(C[N@@H+]2CC[C@@H](O)C2(C)C)n1 ZINC000308991305 385333786 /nfs/dbraw/zinc/33/37/86/385333786.db2.gz NYRMDYGDNSCBNA-SSDOTTSWSA-N 1 2 211.269 -0.445 20 0 BBADLO Cn1nnc(C[N@H+]2CC[C@H](O)C2(C)C)n1 ZINC000308991307 384437724 /nfs/dbraw/zinc/43/77/24/384437724.db2.gz NYRMDYGDNSCBNA-ZETCQYMHSA-N 1 2 211.269 -0.445 20 0 BBADLO Cn1nnc(C[N@@H+]2CC[C@H](O)C2(C)C)n1 ZINC000308991307 384437715 /nfs/dbraw/zinc/43/77/15/384437715.db2.gz NYRMDYGDNSCBNA-ZETCQYMHSA-N 1 2 211.269 -0.445 20 0 BBADLO O=C(Cn1cc[nH+]c1)N1CCC[C@H]1CO ZINC000308993769 349268851 /nfs/dbraw/zinc/26/88/51/349268851.db2.gz JBVBXYUAQBGFPQ-VIFPVBQESA-N 1 2 209.249 -0.134 20 0 BBADLO C[C@@H](O)C[N@@H+](CCO)Cc1nccn1C ZINC000308996235 385338612 /nfs/dbraw/zinc/33/86/12/385338612.db2.gz JXEREWNEGVOOMW-SECBINFHSA-N 1 2 213.281 -0.405 20 0 BBADLO C[C@@H](O)C[N@H+](CCO)Cc1nccn1C ZINC000308996235 385338611 /nfs/dbraw/zinc/33/86/11/385338611.db2.gz JXEREWNEGVOOMW-SECBINFHSA-N 1 2 213.281 -0.405 20 0 BBADLO C[C@H](O)C[N@@H+](CCO)Cc1nccn1C ZINC000308996237 385337705 /nfs/dbraw/zinc/33/77/05/385337705.db2.gz JXEREWNEGVOOMW-VIFPVBQESA-N 1 2 213.281 -0.405 20 0 BBADLO C[C@H](O)C[N@H+](CCO)Cc1nccn1C ZINC000308996237 385337699 /nfs/dbraw/zinc/33/76/99/385337699.db2.gz JXEREWNEGVOOMW-VIFPVBQESA-N 1 2 213.281 -0.405 20 0 BBADLO O=C(Cn1cc[nH+]c1)N1CCC[C@H](O)C1 ZINC000308998524 182071102 /nfs/dbraw/zinc/07/11/02/182071102.db2.gz KPFDAMFLFHHZCL-VIFPVBQESA-N 1 2 209.249 -0.134 20 0 BBADLO C[C@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000309001308 385363587 /nfs/dbraw/zinc/36/35/87/385363587.db2.gz LMQYPOJFWAAASK-JTQLQIEISA-N 1 2 209.249 -0.134 20 0 BBADLO C[C@@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000309001309 385363387 /nfs/dbraw/zinc/36/33/87/385363387.db2.gz LMQYPOJFWAAASK-SNVBAGLBSA-N 1 2 209.249 -0.134 20 0 BBADLO Cc1nc(NC[C@H](C)S(N)(=O)=O)cc[nH+]1 ZINC000309002755 491051670 /nfs/dbraw/zinc/05/16/70/491051670.db2.gz OSYPBYRSRVBYBU-LURJTMIESA-N 1 2 230.293 -0.126 20 0 BBADLO Cc1nc(NC[C@@H](C)S(N)(=O)=O)cc[nH+]1 ZINC000309002756 491142163 /nfs/dbraw/zinc/14/21/63/491142163.db2.gz OSYPBYRSRVBYBU-ZCFIWIBFSA-N 1 2 230.293 -0.126 20 0 BBADLO CCN(C)C(=O)C[NH2+]Cc1cnn(C)n1 ZINC000309004647 631797409 /nfs/dbraw/zinc/79/74/09/631797409.db2.gz TWYKWNMTUWJEJM-UHFFFAOYSA-N 1 2 211.269 -0.617 20 0 BBADLO C[C@@H]([NH2+]Cc1cnn(C)n1)C(=O)N(C)C ZINC000309006632 631799912 /nfs/dbraw/zinc/79/99/12/631799912.db2.gz UVKILXZUSJDDCX-SSDOTTSWSA-N 1 2 211.269 -0.619 20 0 BBADLO C[C@H]([NH2+]Cc1cnn(C)n1)C(=O)N(C)C ZINC000309006633 633841601 /nfs/dbraw/zinc/84/16/01/633841601.db2.gz UVKILXZUSJDDCX-ZETCQYMHSA-N 1 2 211.269 -0.619 20 0 BBADLO Cc1cc(N(CCO)C[C@@H](C)O)nc[nH+]1 ZINC000309009050 178102246 /nfs/dbraw/zinc/10/22/46/178102246.db2.gz OIIDZYMKXLEPOO-SECBINFHSA-N 1 2 211.265 -0.035 20 0 BBADLO Cc1cc(N(CCO)C[C@H](C)O)nc[nH+]1 ZINC000309009052 178102866 /nfs/dbraw/zinc/10/28/66/178102866.db2.gz OIIDZYMKXLEPOO-VIFPVBQESA-N 1 2 211.265 -0.035 20 0 BBADLO O=C(Cn1cc[nH+]c1)NCC(F)(F)CO ZINC000309016315 349304822 /nfs/dbraw/zinc/30/48/22/349304822.db2.gz RCZMODIGVHYTID-UHFFFAOYSA-N 1 2 219.191 -0.373 20 0 BBADLO CC(=O)NCCC[NH2+][C@@]1(C)CCOC1=O ZINC000309017248 631800997 /nfs/dbraw/zinc/80/09/97/631800997.db2.gz UYZBYSKNQAHVTA-JTQLQIEISA-N 1 2 214.265 -0.192 20 0 BBADLO CC(=O)NCCC[NH2+][C@]1(C)CCOC1=O ZINC000309017249 631801805 /nfs/dbraw/zinc/80/18/05/631801805.db2.gz UYZBYSKNQAHVTA-SNVBAGLBSA-N 1 2 214.265 -0.192 20 0 BBADLO CC(=O)CCC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000309023336 385366926 /nfs/dbraw/zinc/36/69/26/385366926.db2.gz DAHNIMFQCOMTQV-JTQLQIEISA-N 1 2 228.292 -0.198 20 0 BBADLO CC(=O)CCC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000309023336 385366924 /nfs/dbraw/zinc/36/69/24/385366924.db2.gz DAHNIMFQCOMTQV-JTQLQIEISA-N 1 2 228.292 -0.198 20 0 BBADLO CC(=O)CCC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000309023337 385367203 /nfs/dbraw/zinc/36/72/03/385367203.db2.gz DAHNIMFQCOMTQV-SNVBAGLBSA-N 1 2 228.292 -0.198 20 0 BBADLO CC(=O)CCC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000309023337 385367199 /nfs/dbraw/zinc/36/71/99/385367199.db2.gz DAHNIMFQCOMTQV-SNVBAGLBSA-N 1 2 228.292 -0.198 20 0 BBADLO Cc1nonc1C[N@H+](CCO)C[C@@H](C)O ZINC000309023608 631809111 /nfs/dbraw/zinc/80/91/11/631809111.db2.gz WNUFCCXUDZYPFT-SSDOTTSWSA-N 1 2 215.253 -0.447 20 0 BBADLO Cc1nonc1C[N@@H+](CCO)C[C@@H](C)O ZINC000309023608 631809106 /nfs/dbraw/zinc/80/91/06/631809106.db2.gz WNUFCCXUDZYPFT-SSDOTTSWSA-N 1 2 215.253 -0.447 20 0 BBADLO Cc1nonc1C[N@H+](CCO)C[C@H](C)O ZINC000309023609 631809594 /nfs/dbraw/zinc/80/95/94/631809594.db2.gz WNUFCCXUDZYPFT-ZETCQYMHSA-N 1 2 215.253 -0.447 20 0 BBADLO Cc1nonc1C[N@@H+](CCO)C[C@H](C)O ZINC000309023609 631809590 /nfs/dbraw/zinc/80/95/90/631809590.db2.gz WNUFCCXUDZYPFT-ZETCQYMHSA-N 1 2 215.253 -0.447 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2cn[nH]c2)C[C@H](CO)O1 ZINC000309024926 491142820 /nfs/dbraw/zinc/14/28/20/491142820.db2.gz XKAAMEMXCWDKIB-PSASIEDQSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@@H]1C[N@H+](Cc2cn[nH]c2)C[C@H](CO)O1 ZINC000309024926 491142819 /nfs/dbraw/zinc/14/28/19/491142819.db2.gz XKAAMEMXCWDKIB-PSASIEDQSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2cn[nH]c2)C[C@@H](CO)O1 ZINC000309024927 491142809 /nfs/dbraw/zinc/14/28/09/491142809.db2.gz XKAAMEMXCWDKIB-SCZZXKLOSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@@H]1C[N@H+](Cc2cn[nH]c2)C[C@@H](CO)O1 ZINC000309024927 491142808 /nfs/dbraw/zinc/14/28/08/491142808.db2.gz XKAAMEMXCWDKIB-SCZZXKLOSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@H]1C[N@@H+](Cc2cn[nH]c2)C[C@H](CO)O1 ZINC000309024928 491142823 /nfs/dbraw/zinc/14/28/23/491142823.db2.gz XKAAMEMXCWDKIB-WCBMZHEXSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@H]1C[N@H+](Cc2cn[nH]c2)C[C@H](CO)O1 ZINC000309024928 491142822 /nfs/dbraw/zinc/14/28/22/491142822.db2.gz XKAAMEMXCWDKIB-WCBMZHEXSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@H]1C[N@@H+](Cc2cn[nH]c2)C[C@@H](CO)O1 ZINC000309024929 491142858 /nfs/dbraw/zinc/14/28/58/491142858.db2.gz XKAAMEMXCWDKIB-WPRPVWTQSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@H]1C[N@H+](Cc2cn[nH]c2)C[C@@H](CO)O1 ZINC000309024929 491142857 /nfs/dbraw/zinc/14/28/57/491142857.db2.gz XKAAMEMXCWDKIB-WPRPVWTQSA-N 1 2 211.265 -0.009 20 0 BBADLO CCS(=O)(=O)NCC[NH2+]Cc1ncc[nH]1 ZINC000309027034 385377661 /nfs/dbraw/zinc/37/76/61/385377661.db2.gz BFLRUIMJFLRVLR-UHFFFAOYSA-N 1 2 232.309 -0.561 20 0 BBADLO CCNS(=O)(=O)CC[NH2+]Cc1cocn1 ZINC000309030262 631804347 /nfs/dbraw/zinc/80/43/47/631804347.db2.gz DFIDFQFHKGJLAS-UHFFFAOYSA-N 1 2 233.293 -0.297 20 0 BBADLO COCCC[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC000309040265 174250088 /nfs/dbraw/zinc/25/00/88/174250088.db2.gz KSZRUOPXAAZOBF-JTQLQIEISA-N 1 2 217.265 -0.055 20 0 BBADLO COCCC[NH2+][C@]1(C(=O)OC)CCOC1 ZINC000309040266 174251026 /nfs/dbraw/zinc/25/10/26/174251026.db2.gz KSZRUOPXAAZOBF-SNVBAGLBSA-N 1 2 217.265 -0.055 20 0 BBADLO CCOC(=O)/C=C\C[N@H+]1CCNC(=O)CC1 ZINC000309051564 632630444 /nfs/dbraw/zinc/63/04/44/632630444.db2.gz SARCUIBWEBABPZ-ARJAWSKDSA-N 1 2 226.276 -0.072 20 0 BBADLO CCOC(=O)/C=C\C[N@@H+]1CCNC(=O)CC1 ZINC000309051564 632630438 /nfs/dbraw/zinc/63/04/38/632630438.db2.gz SARCUIBWEBABPZ-ARJAWSKDSA-N 1 2 226.276 -0.072 20 0 BBADLO CS(=O)(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000309056641 491143545 /nfs/dbraw/zinc/14/35/45/491143545.db2.gz UFYFNSYRZNVXJQ-JTQLQIEISA-N 1 2 248.348 -0.257 20 0 BBADLO CS(=O)(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000309056642 491143556 /nfs/dbraw/zinc/14/35/56/491143556.db2.gz UFYFNSYRZNVXJQ-SNVBAGLBSA-N 1 2 248.348 -0.257 20 0 BBADLO CC[C@](C)([NH2+]CCOCCO)C(=O)OC ZINC000309067860 385393160 /nfs/dbraw/zinc/39/31/60/385393160.db2.gz AKFVXCDRLDYGGC-JTQLQIEISA-N 1 2 219.281 -0.073 20 0 BBADLO CC[C@@](C)([NH2+]CCOCCO)C(=O)OC ZINC000309067861 171176730 /nfs/dbraw/zinc/17/67/30/171176730.db2.gz AKFVXCDRLDYGGC-SNVBAGLBSA-N 1 2 219.281 -0.073 20 0 BBADLO CC(C)[C@@](C)(CO)[NH2+]Cc1nnn(C)n1 ZINC000309086558 385410702 /nfs/dbraw/zinc/41/07/02/385410702.db2.gz YGAQDBGAWTXXTC-SECBINFHSA-N 1 2 213.285 -0.293 20 0 BBADLO CC(C)[C@](C)(CO)[NH2+]Cc1nnn(C)n1 ZINC000309086559 385410533 /nfs/dbraw/zinc/41/05/33/385410533.db2.gz YGAQDBGAWTXXTC-VIFPVBQESA-N 1 2 213.285 -0.293 20 0 BBADLO C[C@@H]([NH2+]CCNS(C)(=O)=O)c1ccon1 ZINC000309096946 385407425 /nfs/dbraw/zinc/40/74/25/385407425.db2.gz DGWNKOPZHIPYNR-SSDOTTSWSA-N 1 2 233.293 -0.126 20 0 BBADLO C[C@H]([NH2+]CCNS(C)(=O)=O)c1ccon1 ZINC000309096947 385407450 /nfs/dbraw/zinc/40/74/50/385407450.db2.gz DGWNKOPZHIPYNR-ZETCQYMHSA-N 1 2 233.293 -0.126 20 0 BBADLO C[C@@H]([NH2+]Cc1ncc[nH]1)C(=O)NCCF ZINC000309105545 385426227 /nfs/dbraw/zinc/42/62/27/385426227.db2.gz HRWZGRFRHUILPD-SSDOTTSWSA-N 1 2 214.244 -0.027 20 0 BBADLO C[C@H]([NH2+]Cc1ncc[nH]1)C(=O)NCCF ZINC000309105547 385426382 /nfs/dbraw/zinc/42/63/82/385426382.db2.gz HRWZGRFRHUILPD-ZETCQYMHSA-N 1 2 214.244 -0.027 20 0 BBADLO C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H](CO)O1 ZINC000309112469 136217770 /nfs/dbraw/zinc/21/77/70/136217770.db2.gz FZIUIAZIBWQBBQ-NXEZZACHSA-N 1 2 226.280 -0.640 20 0 BBADLO C[C@@H]1C[N@H+](CCn2cncn2)C[C@H](CO)O1 ZINC000309112469 136217769 /nfs/dbraw/zinc/21/77/69/136217769.db2.gz FZIUIAZIBWQBBQ-NXEZZACHSA-N 1 2 226.280 -0.640 20 0 BBADLO C[C@H]1C[N@@H+](CCn2cncn2)C[C@@H](CO)O1 ZINC000309112470 136217722 /nfs/dbraw/zinc/21/77/22/136217722.db2.gz FZIUIAZIBWQBBQ-UWVGGRQHSA-N 1 2 226.280 -0.640 20 0 BBADLO C[C@H]1C[N@H+](CCn2cncn2)C[C@@H](CO)O1 ZINC000309112470 136217721 /nfs/dbraw/zinc/21/77/21/136217721.db2.gz FZIUIAZIBWQBBQ-UWVGGRQHSA-N 1 2 226.280 -0.640 20 0 BBADLO C[C@H]1C[N@@H+](CCn2cncn2)C[C@H](CO)O1 ZINC000309112673 136217696 /nfs/dbraw/zinc/21/76/96/136217696.db2.gz FZIUIAZIBWQBBQ-VHSXEESVSA-N 1 2 226.280 -0.640 20 0 BBADLO C[C@H]1C[N@H+](CCn2cncn2)C[C@H](CO)O1 ZINC000309112673 136217695 /nfs/dbraw/zinc/21/76/95/136217695.db2.gz FZIUIAZIBWQBBQ-VHSXEESVSA-N 1 2 226.280 -0.640 20 0 BBADLO C[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H](CO)O1 ZINC000309112675 136217699 /nfs/dbraw/zinc/21/76/99/136217699.db2.gz FZIUIAZIBWQBBQ-ZJUUUORDSA-N 1 2 226.280 -0.640 20 0 BBADLO C[C@@H]1C[N@H+](CCn2cncn2)C[C@@H](CO)O1 ZINC000309112675 136217698 /nfs/dbraw/zinc/21/76/98/136217698.db2.gz FZIUIAZIBWQBBQ-ZJUUUORDSA-N 1 2 226.280 -0.640 20 0 BBADLO C[C@@H]([NH2+]Cc1cc[nH]n1)C(=O)NCCF ZINC000309121539 385427519 /nfs/dbraw/zinc/42/75/19/385427519.db2.gz OBBSDKQLSRVLEE-SSDOTTSWSA-N 1 2 214.244 -0.027 20 0 BBADLO C[C@H]([NH2+]Cc1cc[nH]n1)C(=O)NCCF ZINC000309121540 385427128 /nfs/dbraw/zinc/42/71/28/385427128.db2.gz OBBSDKQLSRVLEE-ZETCQYMHSA-N 1 2 214.244 -0.027 20 0 BBADLO O[C@@H](C[NH+]1CCCC1)C[N@H+]1CC[C@H](O)C1 ZINC000309134188 631903570 /nfs/dbraw/zinc/90/35/70/631903570.db2.gz YNGAGQMZSTWUBX-QWRGUYRKSA-N 1 2 214.309 -0.490 20 0 BBADLO O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@H](O)C1 ZINC000309134188 631903566 /nfs/dbraw/zinc/90/35/66/631903566.db2.gz YNGAGQMZSTWUBX-QWRGUYRKSA-N 1 2 214.309 -0.490 20 0 BBADLO O[C@H](C[NH+]1CCCC1)C[N@H+]1CC[C@H](O)C1 ZINC000309134189 631902512 /nfs/dbraw/zinc/90/25/12/631902512.db2.gz YNGAGQMZSTWUBX-WDEREUQCSA-N 1 2 214.309 -0.490 20 0 BBADLO O[C@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@H](O)C1 ZINC000309134189 631902508 /nfs/dbraw/zinc/90/25/08/631902508.db2.gz YNGAGQMZSTWUBX-WDEREUQCSA-N 1 2 214.309 -0.490 20 0 BBADLO Cc1cc(NCC(=O)NCCO)nc[nH+]1 ZINC000309141365 178154234 /nfs/dbraw/zinc/15/42/34/178154234.db2.gz HGUMVCMWCXUWPJ-UHFFFAOYSA-N 1 2 210.237 -0.695 20 0 BBADLO Cc1nc(NCc2nnn(C)n2)cc[nH+]1 ZINC000309142322 259342320 /nfs/dbraw/zinc/34/23/20/259342320.db2.gz HNHLGNCKDRDONF-UHFFFAOYSA-N 1 2 205.225 -0.079 20 0 BBADLO C[NH+]1CCN(S(=O)(=O)c2ncc[nH]2)CC1 ZINC000309142342 410263519 /nfs/dbraw/zinc/26/35/19/410263519.db2.gz UBOGPOJQQHMNSJ-UHFFFAOYSA-N 1 2 230.293 -0.654 20 0 BBADLO C[C@H]1C[NH2+]CCN1S(=O)(=O)c1ncc[nH]1 ZINC000309153036 385991153 /nfs/dbraw/zinc/99/11/53/385991153.db2.gz WTVJMNGXPUSWIN-ZETCQYMHSA-N 1 2 230.293 -0.608 20 0 BBADLO CN(C)S(=O)(=O)CC[NH+]1CC(O)(C2CC2)C1 ZINC000309175030 385445026 /nfs/dbraw/zinc/44/50/26/385445026.db2.gz BWGZPIYPXPGAGI-UHFFFAOYSA-N 1 2 248.348 -0.666 20 0 BBADLO CCN(CC(=O)OC)C(=O)Cn1cc[nH+]c1 ZINC000309187684 350159614 /nfs/dbraw/zinc/15/96/14/350159614.db2.gz ACNOBPCGEULZOV-UHFFFAOYSA-N 1 2 225.248 -0.095 20 0 BBADLO O=S(=O)(NCC[NH+]1CCCC1)c1ncc[nH]1 ZINC000309198664 385987882 /nfs/dbraw/zinc/98/78/82/385987882.db2.gz BAJQVTYSXDRHRT-UHFFFAOYSA-N 1 2 244.320 -0.216 20 0 BBADLO C[C@@H]1CN(S(=O)(=O)c2ncc[nH]2)C[C@@H](C)[NH2+]1 ZINC000309199993 385987054 /nfs/dbraw/zinc/98/70/54/385987054.db2.gz BIPOCFUDGGGWBL-HTQZYQBOSA-N 1 2 244.320 -0.219 20 0 BBADLO C[C@@H]1CN(S(=O)(=O)c2ncc[nH]2)C[C@H](C)[NH2+]1 ZINC000309199994 385987761 /nfs/dbraw/zinc/98/77/61/385987761.db2.gz BIPOCFUDGGGWBL-OCAPTIKFSA-N 1 2 244.320 -0.219 20 0 BBADLO C[C@H]1CN(S(=O)(=O)c2ncc[nH]2)C[C@H](C)[NH2+]1 ZINC000309199995 385988705 /nfs/dbraw/zinc/98/87/05/385988705.db2.gz BIPOCFUDGGGWBL-YUMQZZPRSA-N 1 2 244.320 -0.219 20 0 BBADLO C[C@@H]1CN(S(=O)(=O)c2ncc[nH]2)[C@H](C)C[NH2+]1 ZINC000309200690 385988156 /nfs/dbraw/zinc/98/81/56/385988156.db2.gz BMIFSAWKCRUGHA-HTQZYQBOSA-N 1 2 244.320 -0.219 20 0 BBADLO C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)c1ncc[nH]1 ZINC000309200691 385988838 /nfs/dbraw/zinc/98/88/38/385988838.db2.gz BMIFSAWKCRUGHA-JGVFFNPUSA-N 1 2 244.320 -0.219 20 0 BBADLO C[C@@H]1CN(S(=O)(=O)c2ncc[nH]2)[C@@H](C)C[NH2+]1 ZINC000309200692 385987353 /nfs/dbraw/zinc/98/73/53/385987353.db2.gz BMIFSAWKCRUGHA-SFYZADRCSA-N 1 2 244.320 -0.219 20 0 BBADLO C[C@H]1CN(S(=O)(=O)c2ncc[nH]2)[C@@H](C)C[NH2+]1 ZINC000309200693 385987839 /nfs/dbraw/zinc/98/78/39/385987839.db2.gz BMIFSAWKCRUGHA-YUMQZZPRSA-N 1 2 244.320 -0.219 20 0 BBADLO Cn1ncc(CNCC[NH+]2CCSCC2)n1 ZINC000309208621 631969769 /nfs/dbraw/zinc/96/97/69/631969769.db2.gz CYYKMTPKBONVSX-UHFFFAOYSA-N 1 2 241.364 -0.047 20 0 BBADLO Cn1cc[nH+]c1CNS(=O)(=O)c1ncc[nH]1 ZINC000309209286 385991495 /nfs/dbraw/zinc/99/14/95/385991495.db2.gz CZMUCKQLZOMESB-UHFFFAOYSA-N 1 2 241.276 -0.378 20 0 BBADLO Cc1nc(NCCn2ncnn2)cc[nH+]1 ZINC000309215141 180200127 /nfs/dbraw/zinc/20/01/27/180200127.db2.gz UGFPZSTTXMUDAQ-UHFFFAOYSA-N 1 2 205.225 -0.116 20 0 BBADLO CC[C@@](C)([NH2+]C[C@@H](O)COC)C(=O)OC ZINC000309220869 171175944 /nfs/dbraw/zinc/17/59/44/171175944.db2.gz VDVCYYYMRGQNSH-PSASIEDQSA-N 1 2 219.281 -0.075 20 0 BBADLO CC[C@](C)([NH2+]C[C@@H](O)COC)C(=O)OC ZINC000309220870 385482368 /nfs/dbraw/zinc/48/23/68/385482368.db2.gz VDVCYYYMRGQNSH-SCZZXKLOSA-N 1 2 219.281 -0.075 20 0 BBADLO C[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ncc[nH]1 ZINC000309225161 398116991 /nfs/dbraw/zinc/11/69/91/398116991.db2.gz HKBQGIMQYPKBNI-MRVPVSSYSA-N 1 2 244.320 -0.218 20 0 BBADLO C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ncc[nH]1 ZINC000309225161 398116990 /nfs/dbraw/zinc/11/69/90/398116990.db2.gz HKBQGIMQYPKBNI-MRVPVSSYSA-N 1 2 244.320 -0.218 20 0 BBADLO C[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ncc[nH]1 ZINC000309225164 385488756 /nfs/dbraw/zinc/48/87/56/385488756.db2.gz HKBQGIMQYPKBNI-QMMMGPOBSA-N 1 2 244.320 -0.218 20 0 BBADLO C[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ncc[nH]1 ZINC000309225164 385488753 /nfs/dbraw/zinc/48/87/53/385488753.db2.gz HKBQGIMQYPKBNI-QMMMGPOBSA-N 1 2 244.320 -0.218 20 0 BBADLO COCCN(C)CC[NH2+]Cc1cnn(C)n1 ZINC000309239257 632833563 /nfs/dbraw/zinc/83/35/63/632833563.db2.gz KHVRPSZUMPAPIH-UHFFFAOYSA-N 1 2 227.312 -0.517 20 0 BBADLO CC[N@@H+](Cc1nc(N)nc(N)n1)[C@H](C)CO ZINC000309243179 347000875 /nfs/dbraw/zinc/00/08/75/347000875.db2.gz BGCDPLUBNHSIPT-ZCFIWIBFSA-N 1 2 226.284 -0.761 20 0 BBADLO CC[N@H+](Cc1nc(N)nc(N)n1)[C@H](C)CO ZINC000309243179 347000874 /nfs/dbraw/zinc/00/08/74/347000874.db2.gz BGCDPLUBNHSIPT-ZCFIWIBFSA-N 1 2 226.284 -0.761 20 0 BBADLO Cc1cc(NCCn2ncnn2)nc[nH+]1 ZINC000309248919 178165660 /nfs/dbraw/zinc/16/56/60/178165660.db2.gz ZSOSPHXZFFPOBW-UHFFFAOYSA-N 1 2 205.225 -0.116 20 0 BBADLO Cc1cc(N2CC[C@@](O)(C(N)=O)C2)nc[nH+]1 ZINC000309264592 178118254 /nfs/dbraw/zinc/11/82/54/178118254.db2.gz FBDYSLKXPHHHKI-JTQLQIEISA-N 1 2 222.248 -0.788 20 0 BBADLO Cc1cc(N2CC[C@](O)(C(N)=O)C2)nc[nH+]1 ZINC000309264594 178120098 /nfs/dbraw/zinc/12/00/98/178120098.db2.gz FBDYSLKXPHHHKI-SNVBAGLBSA-N 1 2 222.248 -0.788 20 0 BBADLO CCC[C@H](NC(=O)Cn1cc[nH+]c1)C(N)=O ZINC000309265058 385504576 /nfs/dbraw/zinc/50/45/76/385504576.db2.gz COLLDYZKIFCQQO-QMMMGPOBSA-N 1 2 224.264 -0.347 20 0 BBADLO COC[C@@H](O)C(=O)OCc1cc[nH+]c(N)c1 ZINC000309276326 633880873 /nfs/dbraw/zinc/88/08/73/633880873.db2.gz MGTMLTGMGUELHH-MRVPVSSYSA-N 1 2 226.232 -0.286 20 0 BBADLO COC[C@H](O)C(=O)OCc1cc[nH+]c(N)c1 ZINC000309276327 632878516 /nfs/dbraw/zinc/87/85/16/632878516.db2.gz MGTMLTGMGUELHH-QMMMGPOBSA-N 1 2 226.232 -0.286 20 0 BBADLO C[N@H+]1CCC[C@@H](NS(=O)(=O)c2ncc[nH]2)C1 ZINC000309294922 398119113 /nfs/dbraw/zinc/11/91/13/398119113.db2.gz WSYNPHYMAHBHDV-MRVPVSSYSA-N 1 2 244.320 -0.218 20 0 BBADLO C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ncc[nH]2)C1 ZINC000309294922 398119109 /nfs/dbraw/zinc/11/91/09/398119109.db2.gz WSYNPHYMAHBHDV-MRVPVSSYSA-N 1 2 244.320 -0.218 20 0 BBADLO C[N@H+]1CCC[C@H](NS(=O)(=O)c2ncc[nH]2)C1 ZINC000309294923 398119203 /nfs/dbraw/zinc/11/92/03/398119203.db2.gz WSYNPHYMAHBHDV-QMMMGPOBSA-N 1 2 244.320 -0.218 20 0 BBADLO C[N@@H+]1CCC[C@H](NS(=O)(=O)c2ncc[nH]2)C1 ZINC000309294923 398119200 /nfs/dbraw/zinc/11/92/00/398119200.db2.gz WSYNPHYMAHBHDV-QMMMGPOBSA-N 1 2 244.320 -0.218 20 0 BBADLO O=S(=O)(NCCn1cc[nH+]c1)c1ncc[nH]1 ZINC000309304783 410792398 /nfs/dbraw/zinc/79/23/98/410792398.db2.gz ZJRBHXTXCKANBM-UHFFFAOYSA-N 1 2 241.276 -0.415 20 0 BBADLO CC[N@H+](Cc1nc(N)nc(N)n1)C[C@H](C)O ZINC000309308208 347029792 /nfs/dbraw/zinc/02/97/92/347029792.db2.gz WGSFMNAWCJBSBF-LURJTMIESA-N 1 2 226.284 -0.761 20 0 BBADLO CC[N@@H+](Cc1nc(N)nc(N)n1)C[C@H](C)O ZINC000309308208 347029789 /nfs/dbraw/zinc/02/97/89/347029789.db2.gz WGSFMNAWCJBSBF-LURJTMIESA-N 1 2 226.284 -0.761 20 0 BBADLO CC[N@H+](Cc1nc(N)nc(N)n1)C[C@@H](C)O ZINC000309308209 347029876 /nfs/dbraw/zinc/02/98/76/347029876.db2.gz WGSFMNAWCJBSBF-ZCFIWIBFSA-N 1 2 226.284 -0.761 20 0 BBADLO CC[N@@H+](Cc1nc(N)nc(N)n1)C[C@@H](C)O ZINC000309308209 347029872 /nfs/dbraw/zinc/02/98/72/347029872.db2.gz WGSFMNAWCJBSBF-ZCFIWIBFSA-N 1 2 226.284 -0.761 20 0 BBADLO O=C(Cn1cc[nH+]c1)N1CCCNC(=O)C1 ZINC000309310116 633892400 /nfs/dbraw/zinc/89/24/00/633892400.db2.gz DYDISFJJWZWQPO-UHFFFAOYSA-N 1 2 222.248 -0.768 20 0 BBADLO CC[N@@H+](CCOCCO)Cc1nnc(C)[nH]1 ZINC000309322356 385532748 /nfs/dbraw/zinc/53/27/48/385532748.db2.gz HIZYGFJTVHHKGJ-UHFFFAOYSA-N 1 2 228.296 -0.056 20 0 BBADLO CC[N@H+](CCOCCO)Cc1nnc(C)[nH]1 ZINC000309322356 385532744 /nfs/dbraw/zinc/53/27/44/385532744.db2.gz HIZYGFJTVHHKGJ-UHFFFAOYSA-N 1 2 228.296 -0.056 20 0 BBADLO COc1n[nH]c(NC(=O)Cn2cc[nH+]c2)n1 ZINC000309325280 350320099 /nfs/dbraw/zinc/32/00/99/350320099.db2.gz HUPXMGQLWGOOGE-UHFFFAOYSA-N 1 2 222.208 -0.352 20 0 BBADLO CC[C@@H](NC(=O)Cn1cc[nH+]c1)C(=O)OC ZINC000309326496 350320527 /nfs/dbraw/zinc/32/05/27/350320527.db2.gz IAKVHALMCGONNN-MRVPVSSYSA-N 1 2 225.248 -0.049 20 0 BBADLO CC[C@H](NC(=O)Cn1cc[nH+]c1)C(=O)OC ZINC000309326497 350320390 /nfs/dbraw/zinc/32/03/90/350320390.db2.gz IAKVHALMCGONNN-QMMMGPOBSA-N 1 2 225.248 -0.049 20 0 BBADLO COC(=O)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000309329341 350319129 /nfs/dbraw/zinc/31/91/29/350319129.db2.gz ILZXMUWBTUCSEE-MRVPVSSYSA-N 1 2 225.248 -0.049 20 0 BBADLO COC(=O)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000309329342 350318965 /nfs/dbraw/zinc/31/89/65/350318965.db2.gz ILZXMUWBTUCSEE-QMMMGPOBSA-N 1 2 225.248 -0.049 20 0 BBADLO NC(=O)[C@]1(O)CCC[N@@H+](Cc2nccs2)C1 ZINC000309337571 136218118 /nfs/dbraw/zinc/21/81/18/136218118.db2.gz UPFYUKUWZLKVQB-JTQLQIEISA-N 1 2 241.316 -0.045 20 0 BBADLO NC(=O)[C@]1(O)CCC[N@H+](Cc2nccs2)C1 ZINC000309337571 136218117 /nfs/dbraw/zinc/21/81/17/136218117.db2.gz UPFYUKUWZLKVQB-JTQLQIEISA-N 1 2 241.316 -0.045 20 0 BBADLO NC(=O)[C@@]1(O)CCC[N@@H+](Cc2nccs2)C1 ZINC000309337575 136217907 /nfs/dbraw/zinc/21/79/07/136217907.db2.gz UPFYUKUWZLKVQB-SNVBAGLBSA-N 1 2 241.316 -0.045 20 0 BBADLO NC(=O)[C@@]1(O)CCC[N@H+](Cc2nccs2)C1 ZINC000309337575 136217906 /nfs/dbraw/zinc/21/79/06/136217906.db2.gz UPFYUKUWZLKVQB-SNVBAGLBSA-N 1 2 241.316 -0.045 20 0 BBADLO COC[C@@H](C)OC[C@H](O)C[NH+]1CC(OC)C1 ZINC000309338371 385538903 /nfs/dbraw/zinc/53/89/03/385538903.db2.gz KCKHLLGHURBQPO-NXEZZACHSA-N 1 2 233.308 -0.271 20 0 BBADLO COC[C@H](C)OC[C@@H](O)C[NH+]1CC(OC)C1 ZINC000309338373 385538691 /nfs/dbraw/zinc/53/86/91/385538691.db2.gz KCKHLLGHURBQPO-UWVGGRQHSA-N 1 2 233.308 -0.271 20 0 BBADLO COC[C@H](C)OC[C@H](O)C[NH+]1CC(OC)C1 ZINC000309338374 385539182 /nfs/dbraw/zinc/53/91/82/385539182.db2.gz KCKHLLGHURBQPO-VHSXEESVSA-N 1 2 233.308 -0.271 20 0 BBADLO COC[C@@H](C)OC[C@@H](O)C[NH+]1CC(OC)C1 ZINC000309338376 385538136 /nfs/dbraw/zinc/53/81/36/385538136.db2.gz KCKHLLGHURBQPO-ZJUUUORDSA-N 1 2 233.308 -0.271 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000309342082 385541283 /nfs/dbraw/zinc/54/12/83/385541283.db2.gz LJDZBSBTPRCEJR-BDAKNGLRSA-N 1 2 248.348 -0.383 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000309342082 385541278 /nfs/dbraw/zinc/54/12/78/385541278.db2.gz LJDZBSBTPRCEJR-BDAKNGLRSA-N 1 2 248.348 -0.383 20 0 BBADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000309342085 385539771 /nfs/dbraw/zinc/53/97/71/385539771.db2.gz LJDZBSBTPRCEJR-DTWKUNHWSA-N 1 2 248.348 -0.383 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000309342085 385539768 /nfs/dbraw/zinc/53/97/68/385539768.db2.gz LJDZBSBTPRCEJR-DTWKUNHWSA-N 1 2 248.348 -0.383 20 0 BBADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000309342087 385540365 /nfs/dbraw/zinc/54/03/65/385540365.db2.gz LJDZBSBTPRCEJR-IUCAKERBSA-N 1 2 248.348 -0.383 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000309342087 385540362 /nfs/dbraw/zinc/54/03/62/385540362.db2.gz LJDZBSBTPRCEJR-IUCAKERBSA-N 1 2 248.348 -0.383 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000309342398 385541344 /nfs/dbraw/zinc/54/13/44/385541344.db2.gz LJDZBSBTPRCEJR-RKDXNWHRSA-N 1 2 248.348 -0.383 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000309342398 385541340 /nfs/dbraw/zinc/54/13/40/385541340.db2.gz LJDZBSBTPRCEJR-RKDXNWHRSA-N 1 2 248.348 -0.383 20 0 BBADLO Cc1nc(N2CC[C@@](O)(C(N)=O)C2)cc[nH+]1 ZINC000309344029 136218005 /nfs/dbraw/zinc/21/80/05/136218005.db2.gz WAFJHXHSAHKLBM-JTQLQIEISA-N 1 2 222.248 -0.788 20 0 BBADLO Cc1nc(N2CC[C@](O)(C(N)=O)C2)cc[nH+]1 ZINC000309344031 136217981 /nfs/dbraw/zinc/21/79/81/136217981.db2.gz WAFJHXHSAHKLBM-SNVBAGLBSA-N 1 2 222.248 -0.788 20 0 BBADLO CCOC(=O)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000309354073 632010645 /nfs/dbraw/zinc/01/06/45/632010645.db2.gz MZGYAGNMTHXHJQ-MRVPVSSYSA-N 1 2 225.248 -0.049 20 0 BBADLO CCOC(=O)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000309354075 632011396 /nfs/dbraw/zinc/01/13/96/632011396.db2.gz MZGYAGNMTHXHJQ-QMMMGPOBSA-N 1 2 225.248 -0.049 20 0 BBADLO CN(CCOCCO)C(=O)Cn1cc[nH+]c1 ZINC000309362869 385548853 /nfs/dbraw/zinc/54/88/53/385548853.db2.gz OHUXTEMGSSTJEA-UHFFFAOYSA-N 1 2 227.264 -0.650 20 0 BBADLO CO[C@@H](C)CS(=O)(=O)NCC(F)(F)C[NH3+] ZINC000309400684 385571474 /nfs/dbraw/zinc/57/14/74/385571474.db2.gz HIVMOHXSYPLMAG-LURJTMIESA-N 1 2 246.279 -0.465 20 0 BBADLO CO[C@H](C)CS(=O)(=O)NCC(F)(F)C[NH3+] ZINC000309400687 385571638 /nfs/dbraw/zinc/57/16/38/385571638.db2.gz HIVMOHXSYPLMAG-ZCFIWIBFSA-N 1 2 246.279 -0.465 20 0 BBADLO CC(C)c1nc(N[C@@H](CO)C(N)=O)cc[nH+]1 ZINC000309406632 385572326 /nfs/dbraw/zinc/57/23/26/385572326.db2.gz IAFUEMPCFWIDQK-ZETCQYMHSA-N 1 2 224.264 -0.142 20 0 BBADLO CCn1ncnc1C[NH2+]C1COCCOC1 ZINC000309412013 386009901 /nfs/dbraw/zinc/00/99/01/386009901.db2.gz YCJFNECXFOMKMR-UHFFFAOYSA-N 1 2 226.280 -0.197 20 0 BBADLO CC[C@](C)([NH2+]CC1(CO)COC1)C(=O)OC ZINC000309412556 323393921 /nfs/dbraw/zinc/39/39/21/323393921.db2.gz BZYJMOKGKYVAPF-JTQLQIEISA-N 1 2 231.292 -0.073 20 0 BBADLO CC[C@@](C)([NH2+]CC1(CO)COC1)C(=O)OC ZINC000309412559 323393833 /nfs/dbraw/zinc/39/38/33/323393833.db2.gz BZYJMOKGKYVAPF-SNVBAGLBSA-N 1 2 231.292 -0.073 20 0 BBADLO CC(C)(C)[NH2+]CCNC(=O)c1nc(=O)[nH][nH]1 ZINC000309420901 636698405 /nfs/dbraw/zinc/69/84/05/636698405.db2.gz ZNTNENDIKSWCFS-UHFFFAOYSA-N 1 2 227.268 -0.784 20 0 BBADLO COC(=O)[C@@]1([NH2+]CC2(C)COC2)CCOC1 ZINC000309427292 385578970 /nfs/dbraw/zinc/57/89/70/385578970.db2.gz FNNYKWGTEVGKIS-LLVKDONJSA-N 1 2 229.276 -0.055 20 0 BBADLO COC(=O)[C@]1([NH2+]CC2(C)COC2)CCOC1 ZINC000309427295 385579515 /nfs/dbraw/zinc/57/95/15/385579515.db2.gz FNNYKWGTEVGKIS-NSHDSACASA-N 1 2 229.276 -0.055 20 0 BBADLO COC(=O)[C@H]([NH2+]CC[C@@H]1CCOC1)[C@H](C)O ZINC000309428240 347061525 /nfs/dbraw/zinc/06/15/25/347061525.db2.gz BARQWQLWIZJARB-IVZWLZJFSA-N 1 2 231.292 -0.075 20 0 BBADLO COC(=O)[C@H]([NH2+]CC[C@H]1CCOC1)[C@@H](C)O ZINC000309428241 347061402 /nfs/dbraw/zinc/06/14/02/347061402.db2.gz BARQWQLWIZJARB-KXUCPTDWSA-N 1 2 231.292 -0.075 20 0 BBADLO COC(=O)[C@H]([NH2+]CC[C@H]1CCOC1)[C@H](C)O ZINC000309428242 347062309 /nfs/dbraw/zinc/06/23/09/347062309.db2.gz BARQWQLWIZJARB-LPEHRKFASA-N 1 2 231.292 -0.075 20 0 BBADLO COC(=O)[C@H]([NH2+]CC[C@@H]1CCOC1)[C@@H](C)O ZINC000309428243 347062194 /nfs/dbraw/zinc/06/21/94/347062194.db2.gz BARQWQLWIZJARB-OPRDCNLKSA-N 1 2 231.292 -0.075 20 0 BBADLO CCNS(=O)(=O)CC[NH2+]Cc1cn(C)cn1 ZINC000309442730 633077706 /nfs/dbraw/zinc/07/77/06/633077706.db2.gz MBHPCUFRJVBGHJ-UHFFFAOYSA-N 1 2 246.336 -0.551 20 0 BBADLO CNC(=O)C[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000309444679 173278190 /nfs/dbraw/zinc/27/81/90/173278190.db2.gz JLJRKUXAUQBCJE-JTQLQIEISA-N 1 2 221.260 -0.451 20 0 BBADLO CNC(=O)C[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000309444681 173277692 /nfs/dbraw/zinc/27/76/92/173277692.db2.gz JLJRKUXAUQBCJE-SNVBAGLBSA-N 1 2 221.260 -0.451 20 0 BBADLO Cc1nc(N)nc(N[C@H]2CC(=O)N(C)C2)[nH+]1 ZINC000309462412 385593484 /nfs/dbraw/zinc/59/34/84/385593484.db2.gz SBLWFWDLYBORTN-LURJTMIESA-N 1 2 222.252 -0.595 20 0 BBADLO Cc1nc(N[C@H]2CC(=O)N(C)C2)nc(N)[nH+]1 ZINC000309462412 385593482 /nfs/dbraw/zinc/59/34/82/385593482.db2.gz SBLWFWDLYBORTN-LURJTMIESA-N 1 2 222.252 -0.595 20 0 BBADLO Cc1nc(N)nc(N[C@@H]2CC(=O)N(C)C2)[nH+]1 ZINC000309462414 386012119 /nfs/dbraw/zinc/01/21/19/386012119.db2.gz SBLWFWDLYBORTN-ZCFIWIBFSA-N 1 2 222.252 -0.595 20 0 BBADLO Cc1nc(N[C@@H]2CC(=O)N(C)C2)nc(N)[nH+]1 ZINC000309462414 386012114 /nfs/dbraw/zinc/01/21/14/386012114.db2.gz SBLWFWDLYBORTN-ZCFIWIBFSA-N 1 2 222.252 -0.595 20 0 BBADLO C[C@H](CO)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000309470624 385599015 /nfs/dbraw/zinc/59/90/15/385599015.db2.gz ALTKMXWRUMMPAE-BQBZGAKWSA-N 1 2 222.235 -0.272 20 0 BBADLO C[C@H](CO)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000309470625 385599060 /nfs/dbraw/zinc/59/90/60/385599060.db2.gz ALTKMXWRUMMPAE-NKWVEPMBSA-N 1 2 222.235 -0.272 20 0 BBADLO C[C@@H](CO)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000309470626 385599170 /nfs/dbraw/zinc/59/91/70/385599170.db2.gz ALTKMXWRUMMPAE-RNFRBKRXSA-N 1 2 222.235 -0.272 20 0 BBADLO C[C@@H](CO)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000309470627 385599052 /nfs/dbraw/zinc/59/90/52/385599052.db2.gz ALTKMXWRUMMPAE-RQJHMYQMSA-N 1 2 222.235 -0.272 20 0 BBADLO C[N@@H+](C[C@@H](O)C[NH+]1CC[C@](C)(O)C1)C1CC1 ZINC000309491899 385621795 /nfs/dbraw/zinc/62/17/95/385621795.db2.gz YKWGOEYQKXVBCM-NEPJUHHUSA-N 1 2 228.336 -0.102 20 0 BBADLO C[N@H+](C[C@@H](O)C[NH+]1CC[C@](C)(O)C1)C1CC1 ZINC000309491899 385621789 /nfs/dbraw/zinc/62/17/89/385621789.db2.gz YKWGOEYQKXVBCM-NEPJUHHUSA-N 1 2 228.336 -0.102 20 0 BBADLO C[N@@H+](C[C@H](O)C[NH+]1CC[C@@](C)(O)C1)C1CC1 ZINC000309491900 385620881 /nfs/dbraw/zinc/62/08/81/385620881.db2.gz YKWGOEYQKXVBCM-NWDGAFQWSA-N 1 2 228.336 -0.102 20 0 BBADLO C[N@H+](C[C@H](O)C[NH+]1CC[C@@](C)(O)C1)C1CC1 ZINC000309491900 385620877 /nfs/dbraw/zinc/62/08/77/385620877.db2.gz YKWGOEYQKXVBCM-NWDGAFQWSA-N 1 2 228.336 -0.102 20 0 BBADLO C[N@@H+](C[C@H](O)C[NH+]1CC[C@](C)(O)C1)C1CC1 ZINC000309491902 385622800 /nfs/dbraw/zinc/62/28/00/385622800.db2.gz YKWGOEYQKXVBCM-RYUDHWBXSA-N 1 2 228.336 -0.102 20 0 BBADLO C[N@H+](C[C@H](O)C[NH+]1CC[C@](C)(O)C1)C1CC1 ZINC000309491902 385622793 /nfs/dbraw/zinc/62/27/93/385622793.db2.gz YKWGOEYQKXVBCM-RYUDHWBXSA-N 1 2 228.336 -0.102 20 0 BBADLO C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@](C)(O)C1)C1CC1 ZINC000309491903 385620508 /nfs/dbraw/zinc/62/05/08/385620508.db2.gz YKWGOEYQKXVBCM-VXGBXAGGSA-N 1 2 228.336 -0.102 20 0 BBADLO C[N@H+](C[C@@H](O)C[NH+]1CC[C@@](C)(O)C1)C1CC1 ZINC000309491903 385620504 /nfs/dbraw/zinc/62/05/04/385620504.db2.gz YKWGOEYQKXVBCM-VXGBXAGGSA-N 1 2 228.336 -0.102 20 0 BBADLO C[C@@H](CCO)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000309493572 385617034 /nfs/dbraw/zinc/61/70/34/385617034.db2.gz JLHWPVQOCSJHRF-BQBZGAKWSA-N 1 2 222.235 -0.129 20 0 BBADLO C[C@@H](CCO)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000309493574 385615672 /nfs/dbraw/zinc/61/56/72/385615672.db2.gz JLHWPVQOCSJHRF-NKWVEPMBSA-N 1 2 222.235 -0.129 20 0 BBADLO C[C@H](CCO)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000309493577 385616698 /nfs/dbraw/zinc/61/66/98/385616698.db2.gz JLHWPVQOCSJHRF-RNFRBKRXSA-N 1 2 222.235 -0.129 20 0 BBADLO C[C@H](CCO)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000309493579 385615854 /nfs/dbraw/zinc/61/58/54/385615854.db2.gz JLHWPVQOCSJHRF-RQJHMYQMSA-N 1 2 222.235 -0.129 20 0 BBADLO Cn1cnc(C[NH2+]CC(=O)NCC(F)F)c1 ZINC000309497529 491150271 /nfs/dbraw/zinc/15/02/71/491150271.db2.gz KQDCKKMNMVYYGT-UHFFFAOYSA-N 1 2 232.234 -0.109 20 0 BBADLO COC(=O)[C@@]1([NH2+]C[C@@H]2CCOC2)CCOC1 ZINC000309501368 385637153 /nfs/dbraw/zinc/63/71/53/385637153.db2.gz ZTVYBZYHVXGUSW-GXSJLCMTSA-N 1 2 229.276 -0.055 20 0 BBADLO COC(=O)[C@]1([NH2+]C[C@H]2CCOC2)CCOC1 ZINC000309501371 385637279 /nfs/dbraw/zinc/63/72/79/385637279.db2.gz ZTVYBZYHVXGUSW-KOLCDFICSA-N 1 2 229.276 -0.055 20 0 BBADLO COC(=O)[C@@]1([NH2+]C[C@H]2CCOC2)CCOC1 ZINC000309501373 385637869 /nfs/dbraw/zinc/63/78/69/385637869.db2.gz ZTVYBZYHVXGUSW-MWLCHTKSSA-N 1 2 229.276 -0.055 20 0 BBADLO COC(=O)[C@]1([NH2+]C[C@@H]2CCOC2)CCOC1 ZINC000309501374 385638596 /nfs/dbraw/zinc/63/85/96/385638596.db2.gz ZTVYBZYHVXGUSW-ONGXEEELSA-N 1 2 229.276 -0.055 20 0 BBADLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)C(N)=O ZINC000309504623 385641584 /nfs/dbraw/zinc/64/15/84/385641584.db2.gz BQOTUUBTZYLCBR-APPZFPTMSA-N 1 2 221.260 -0.324 20 0 BBADLO C[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)C(N)=O ZINC000309504632 187309511 /nfs/dbraw/zinc/30/95/11/187309511.db2.gz BQOTUUBTZYLCBR-CBAPKCEASA-N 1 2 221.260 -0.324 20 0 BBADLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)C(N)=O ZINC000309504640 385641803 /nfs/dbraw/zinc/64/18/03/385641803.db2.gz BQOTUUBTZYLCBR-IONNQARKSA-N 1 2 221.260 -0.324 20 0 BBADLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)C(N)=O ZINC000309504648 385643413 /nfs/dbraw/zinc/64/34/13/385643413.db2.gz BQOTUUBTZYLCBR-VXNVDRBHSA-N 1 2 221.260 -0.324 20 0 BBADLO c1cnnc(NC[C@H]2CN3CC[NH+]2CC3)c1 ZINC000309523051 350701087 /nfs/dbraw/zinc/70/10/87/350701087.db2.gz CARLFGUIJVUOJZ-JTQLQIEISA-N 1 2 219.292 -0.112 20 0 BBADLO c1cnnc(NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000309523051 350701085 /nfs/dbraw/zinc/70/10/85/350701085.db2.gz CARLFGUIJVUOJZ-JTQLQIEISA-N 1 2 219.292 -0.112 20 0 BBADLO c1cnnc(NC[C@@H]2CN3CC[NH+]2CC3)c1 ZINC000309523055 350701176 /nfs/dbraw/zinc/70/11/76/350701176.db2.gz CARLFGUIJVUOJZ-SNVBAGLBSA-N 1 2 219.292 -0.112 20 0 BBADLO c1cnnc(NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000309523055 350701173 /nfs/dbraw/zinc/70/11/73/350701173.db2.gz CARLFGUIJVUOJZ-SNVBAGLBSA-N 1 2 219.292 -0.112 20 0 BBADLO Cn1ccc(C[NH2+]CC(=O)NCC(F)F)n1 ZINC000309528144 326157593 /nfs/dbraw/zinc/15/75/93/326157593.db2.gz VGARSNUXWVWZJM-UHFFFAOYSA-N 1 2 232.234 -0.109 20 0 BBADLO Cn1ccnc1C[NH2+]CC(=O)NCC(F)F ZINC000309529855 180747179 /nfs/dbraw/zinc/74/71/79/180747179.db2.gz VRRVPJRTOYYDFH-UHFFFAOYSA-N 1 2 232.234 -0.109 20 0 BBADLO Cn1nnc(C[NH2+][C@@H]2CCC[C@]2(C)CO)n1 ZINC000309546349 385109625 /nfs/dbraw/zinc/10/96/25/385109625.db2.gz DNSAVHVPUMGDOQ-PSASIEDQSA-N 1 2 225.296 -0.149 20 0 BBADLO Cn1nnc(C[NH2+][C@@H]2CCC[C@@]2(C)CO)n1 ZINC000309546351 385682343 /nfs/dbraw/zinc/68/23/43/385682343.db2.gz DNSAVHVPUMGDOQ-SCZZXKLOSA-N 1 2 225.296 -0.149 20 0 BBADLO Cn1nnc(C[NH2+][C@H]2CCC[C@]2(C)CO)n1 ZINC000309546353 385682523 /nfs/dbraw/zinc/68/25/23/385682523.db2.gz DNSAVHVPUMGDOQ-WCBMZHEXSA-N 1 2 225.296 -0.149 20 0 BBADLO Cn1nnc(C[NH2+][C@H]2CCC[C@@]2(C)CO)n1 ZINC000309546355 385109959 /nfs/dbraw/zinc/10/99/59/385109959.db2.gz DNSAVHVPUMGDOQ-WPRPVWTQSA-N 1 2 225.296 -0.149 20 0 BBADLO Cn1nc(C[NH2+][C@H](CO)C(C)(C)C)[nH]c1=O ZINC000309547447 385681918 /nfs/dbraw/zinc/68/19/18/385681918.db2.gz CEJIEEBVCDFXMC-SSDOTTSWSA-N 1 2 228.296 -0.395 20 0 BBADLO CC(C)c1nc(NC[C@@H](O)C(N)=O)cc[nH+]1 ZINC000309561377 385697228 /nfs/dbraw/zinc/69/72/28/385697228.db2.gz LEEXFWIRCHSTDG-SSDOTTSWSA-N 1 2 224.264 -0.142 20 0 BBADLO CC(C)c1nc(NC[C@H](O)C(N)=O)cc[nH+]1 ZINC000309561378 385697693 /nfs/dbraw/zinc/69/76/93/385697693.db2.gz LEEXFWIRCHSTDG-ZETCQYMHSA-N 1 2 224.264 -0.142 20 0 BBADLO COCCOC(=O)N1CC[NH+](CCO)CC1 ZINC000309565209 632534048 /nfs/dbraw/zinc/53/40/48/632534048.db2.gz QJVIEXJUVXVJCQ-UHFFFAOYSA-N 1 2 232.280 -0.621 20 0 BBADLO Cn1nnc(C[NH2+][C@H](CO)C2CCCC2)n1 ZINC000309571126 384028013 /nfs/dbraw/zinc/02/80/13/384028013.db2.gz MWZLRVOLIMGLBQ-SECBINFHSA-N 1 2 225.296 -0.149 20 0 BBADLO Cn1nnc(C[NH2+][C@@H](CO)C2CCCC2)n1 ZINC000309571129 384029201 /nfs/dbraw/zinc/02/92/01/384029201.db2.gz MWZLRVOLIMGLBQ-VIFPVBQESA-N 1 2 225.296 -0.149 20 0 BBADLO Nc1ccnc(C[N@H+]2CCSC[C@H]2CO)n1 ZINC000309605379 385742079 /nfs/dbraw/zinc/74/20/79/385742079.db2.gz LCFHHUGHAHWOSE-MRVPVSSYSA-N 1 2 240.332 -0.032 20 0 BBADLO Nc1ccnc(C[N@@H+]2CCSC[C@H]2CO)n1 ZINC000309605379 385742073 /nfs/dbraw/zinc/74/20/73/385742073.db2.gz LCFHHUGHAHWOSE-MRVPVSSYSA-N 1 2 240.332 -0.032 20 0 BBADLO Nc1ccnc(C[N@H+]2CCSC[C@@H]2CO)n1 ZINC000309605380 385741298 /nfs/dbraw/zinc/74/12/98/385741298.db2.gz LCFHHUGHAHWOSE-QMMMGPOBSA-N 1 2 240.332 -0.032 20 0 BBADLO Nc1ccnc(C[N@@H+]2CCSC[C@@H]2CO)n1 ZINC000309605380 385741293 /nfs/dbraw/zinc/74/12/93/385741293.db2.gz LCFHHUGHAHWOSE-QMMMGPOBSA-N 1 2 240.332 -0.032 20 0 BBADLO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[C@@H](O)C1 ZINC000309615064 385744322 /nfs/dbraw/zinc/74/43/22/385744322.db2.gz DQTRJULFKTWMTH-RNFRBKRXSA-N 1 2 220.219 -0.423 20 0 BBADLO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@@H](O)C1 ZINC000309615065 385744264 /nfs/dbraw/zinc/74/42/64/385744264.db2.gz DQTRJULFKTWMTH-RQJHMYQMSA-N 1 2 220.219 -0.423 20 0 BBADLO COC(=O)N1CC([NH2+]Cc2cn(C)cn2)C1 ZINC000309616251 633972776 /nfs/dbraw/zinc/97/27/76/633972776.db2.gz CXPASANPCFEVIG-UHFFFAOYSA-N 1 2 224.264 -0.040 20 0 BBADLO COC(=O)[C@H]([NH2+]C[C@H]1CCCOC1)[C@H](C)O ZINC000309621740 385747179 /nfs/dbraw/zinc/74/71/79/385747179.db2.gz FKWRZDXJWJBGEF-IVZWLZJFSA-N 1 2 231.292 -0.075 20 0 BBADLO COC(=O)[C@H]([NH2+]C[C@@H]1CCCOC1)[C@@H](C)O ZINC000309621741 385747044 /nfs/dbraw/zinc/74/70/44/385747044.db2.gz FKWRZDXJWJBGEF-KXUCPTDWSA-N 1 2 231.292 -0.075 20 0 BBADLO COC(=O)[C@H]([NH2+]C[C@H]1CCCOC1)[C@@H](C)O ZINC000309621743 385747550 /nfs/dbraw/zinc/74/75/50/385747550.db2.gz FKWRZDXJWJBGEF-OPRDCNLKSA-N 1 2 231.292 -0.075 20 0 BBADLO CCOC(=O)C[NH2+][C@@H](CO)C1CCOCC1 ZINC000309622222 170226093 /nfs/dbraw/zinc/22/60/93/170226093.db2.gz FNMDAJZAGBVTOS-JTQLQIEISA-N 1 2 231.292 -0.073 20 0 BBADLO CCOC(=O)C[NH2+][C@H](CO)C1CCOCC1 ZINC000309622224 170227395 /nfs/dbraw/zinc/22/73/95/170227395.db2.gz FNMDAJZAGBVTOS-SNVBAGLBSA-N 1 2 231.292 -0.073 20 0 BBADLO O=S1(=O)CCCN1CC[NH2+]Cc1c[nH]cn1 ZINC000309629162 633214799 /nfs/dbraw/zinc/21/47/99/633214799.db2.gz JXWJKXYJCRXWHX-UHFFFAOYSA-N 1 2 244.320 -0.465 20 0 BBADLO Nc1nonc1C(=O)OCCn1cc[nH+]c1 ZINC000309642953 632610744 /nfs/dbraw/zinc/61/07/44/632610744.db2.gz VBISDNDUWCJKFK-UHFFFAOYSA-N 1 2 223.192 -0.295 20 0 BBADLO CNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccon1 ZINC000309643142 173287747 /nfs/dbraw/zinc/28/77/47/173287747.db2.gz LGYIJFDZJPWJOT-LURJTMIESA-N 1 2 226.236 -0.219 20 0 BBADLO CNC(=O)NC(=O)C[NH2+][C@H](C)c1ccon1 ZINC000309643145 173287584 /nfs/dbraw/zinc/28/75/84/173287584.db2.gz LGYIJFDZJPWJOT-ZCFIWIBFSA-N 1 2 226.236 -0.219 20 0 BBADLO Cn1ncc(C[NH2+]C2(C(N)=O)CCCC2)n1 ZINC000309658428 632624194 /nfs/dbraw/zinc/62/41/94/632624194.db2.gz XAMXKQGNPOEZLL-UHFFFAOYSA-N 1 2 223.280 -0.297 20 0 BBADLO COC(=O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000309666427 384711251 /nfs/dbraw/zinc/71/12/51/384711251.db2.gz UIIGXNRONSPFNV-GZMMTYOYSA-N 1 2 226.276 -0.194 20 0 BBADLO COC(=O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000309666429 385782373 /nfs/dbraw/zinc/78/23/73/385782373.db2.gz UIIGXNRONSPFNV-KCJUWKMLSA-N 1 2 226.276 -0.194 20 0 BBADLO COC(=O)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000309666430 385781818 /nfs/dbraw/zinc/78/18/18/385781818.db2.gz UIIGXNRONSPFNV-KWQFWETISA-N 1 2 226.276 -0.194 20 0 BBADLO COC(=O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000309666432 385781161 /nfs/dbraw/zinc/78/11/61/385781161.db2.gz UIIGXNRONSPFNV-LDYMZIIASA-N 1 2 226.276 -0.194 20 0 BBADLO CC(C)(C)[C@@H]([NH2+]Cc1nc(=O)[nH][nH]1)C(N)=O ZINC000309674474 384719048 /nfs/dbraw/zinc/71/90/48/384719048.db2.gz LGCIQRJLMUBQMG-LURJTMIESA-N 1 2 227.268 -0.912 20 0 BBADLO CNC(=O)[C@@H]([NH2+]Cc1nnc(C)[nH]1)C(C)C ZINC000309678135 173296711 /nfs/dbraw/zinc/29/67/11/173296711.db2.gz YMJVXINNDYTBAR-VIFPVBQESA-N 1 2 225.296 -0.027 20 0 BBADLO CNC(=O)[C@H]([NH2+]Cc1nnnn1C)C(C)C ZINC000309682893 173305488 /nfs/dbraw/zinc/30/54/88/173305488.db2.gz ZYOOHUDSWVKFNU-MRVPVSSYSA-N 1 2 226.284 -0.930 20 0 BBADLO CNC(=O)[C@@H]([NH2+]Cc1nnnn1C)C(C)C ZINC000309682895 173296991 /nfs/dbraw/zinc/29/69/91/173296991.db2.gz ZYOOHUDSWVKFNU-QMMMGPOBSA-N 1 2 226.284 -0.930 20 0 BBADLO Cc1[nH]ncc1C[NH2+]CCc1nnnn1C ZINC000309717399 491154974 /nfs/dbraw/zinc/15/49/74/491154974.db2.gz UKZHWWSVMJFJEH-UHFFFAOYSA-N 1 2 221.268 -0.426 20 0 BBADLO Cc1nc(NCCc2nnnn2C)cc[nH+]1 ZINC000309724662 491155050 /nfs/dbraw/zinc/15/50/50/491155050.db2.gz XIYRMFOVKFDRIY-UHFFFAOYSA-N 1 2 219.252 -0.037 20 0 BBADLO C[C@@H]([NH2+]Cc1nn(C)c(=O)[nH]1)[C@H]1CCCO1 ZINC000309740322 398149261 /nfs/dbraw/zinc/14/92/61/398149261.db2.gz DDUAZMFFNWAUNV-HTQZYQBOSA-N 1 2 226.280 -0.235 20 0 BBADLO C[C@H]([NH2+]Cc1nn(C)c(=O)[nH]1)[C@H]1CCCO1 ZINC000309740324 398149241 /nfs/dbraw/zinc/14/92/41/398149241.db2.gz DDUAZMFFNWAUNV-JGVFFNPUSA-N 1 2 226.280 -0.235 20 0 BBADLO C[C@@H]([NH2+]Cc1nn(C)c(=O)[nH]1)[C@@H]1CCCO1 ZINC000309740326 398150137 /nfs/dbraw/zinc/15/01/37/398150137.db2.gz DDUAZMFFNWAUNV-SFYZADRCSA-N 1 2 226.280 -0.235 20 0 BBADLO C[C@H]([NH2+]Cc1nn(C)c(=O)[nH]1)[C@@H]1CCCO1 ZINC000309740327 398150092 /nfs/dbraw/zinc/15/00/92/398150092.db2.gz DDUAZMFFNWAUNV-YUMQZZPRSA-N 1 2 226.280 -0.235 20 0 BBADLO C[C@@](O)(C[N@H+]1CCO[C@@H](CO)C1)C(F)(F)F ZINC000309754521 136219488 /nfs/dbraw/zinc/21/94/88/136219488.db2.gz LFOHWIBHEQCJDX-HTQZYQBOSA-N 1 2 243.225 -0.007 20 0 BBADLO C[C@@](O)(C[N@@H+]1CCO[C@@H](CO)C1)C(F)(F)F ZINC000309754521 136219487 /nfs/dbraw/zinc/21/94/87/136219487.db2.gz LFOHWIBHEQCJDX-HTQZYQBOSA-N 1 2 243.225 -0.007 20 0 BBADLO C[C@@](O)(C[N@H+]1CCO[C@H](CO)C1)C(F)(F)F ZINC000309754523 136219508 /nfs/dbraw/zinc/21/95/08/136219508.db2.gz LFOHWIBHEQCJDX-JGVFFNPUSA-N 1 2 243.225 -0.007 20 0 BBADLO C[C@@](O)(C[N@@H+]1CCO[C@H](CO)C1)C(F)(F)F ZINC000309754523 136219507 /nfs/dbraw/zinc/21/95/07/136219507.db2.gz LFOHWIBHEQCJDX-JGVFFNPUSA-N 1 2 243.225 -0.007 20 0 BBADLO C[C@](O)(C[N@H+]1CCO[C@@H](CO)C1)C(F)(F)F ZINC000309754525 136219499 /nfs/dbraw/zinc/21/94/99/136219499.db2.gz LFOHWIBHEQCJDX-SFYZADRCSA-N 1 2 243.225 -0.007 20 0 BBADLO C[C@](O)(C[N@@H+]1CCO[C@@H](CO)C1)C(F)(F)F ZINC000309754525 136219498 /nfs/dbraw/zinc/21/94/98/136219498.db2.gz LFOHWIBHEQCJDX-SFYZADRCSA-N 1 2 243.225 -0.007 20 0 BBADLO C[C@](O)(C[N@H+]1CCO[C@H](CO)C1)C(F)(F)F ZINC000309754526 136219522 /nfs/dbraw/zinc/21/95/22/136219522.db2.gz LFOHWIBHEQCJDX-YUMQZZPRSA-N 1 2 243.225 -0.007 20 0 BBADLO C[C@](O)(C[N@@H+]1CCO[C@H](CO)C1)C(F)(F)F ZINC000309754526 136219521 /nfs/dbraw/zinc/21/95/21/136219521.db2.gz LFOHWIBHEQCJDX-YUMQZZPRSA-N 1 2 243.225 -0.007 20 0 BBADLO Cc1nc(N[C@H](C)C(N)=O)nc(N(C)C)[nH+]1 ZINC000309779932 491156342 /nfs/dbraw/zinc/15/63/42/491156342.db2.gz MQKBZAHDMKKQBF-RXMQYKEDSA-N 1 2 224.268 -0.468 20 0 BBADLO Cc1nc(N(C)C)nc(N[C@H](C)C(N)=O)[nH+]1 ZINC000309779932 491156341 /nfs/dbraw/zinc/15/63/41/491156341.db2.gz MQKBZAHDMKKQBF-RXMQYKEDSA-N 1 2 224.268 -0.468 20 0 BBADLO Cc1nc(N[C@@H](C)C(N)=O)nc(N(C)C)[nH+]1 ZINC000309779933 491156334 /nfs/dbraw/zinc/15/63/34/491156334.db2.gz MQKBZAHDMKKQBF-YFKPBYRVSA-N 1 2 224.268 -0.468 20 0 BBADLO Cc1nc(N(C)C)nc(N[C@@H](C)C(N)=O)[nH+]1 ZINC000309779933 491156333 /nfs/dbraw/zinc/15/63/33/491156333.db2.gz MQKBZAHDMKKQBF-YFKPBYRVSA-N 1 2 224.268 -0.468 20 0 BBADLO Cc1noc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)n1 ZINC000309785573 384174884 /nfs/dbraw/zinc/17/48/84/384174884.db2.gz NXZVFHWVRLDPFG-HZGVNTEJSA-N 1 2 224.264 -0.008 20 0 BBADLO Cc1noc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)n1 ZINC000309785574 384176110 /nfs/dbraw/zinc/17/61/10/384176110.db2.gz NXZVFHWVRLDPFG-IMTBSYHQSA-N 1 2 224.264 -0.008 20 0 BBADLO Cc1noc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)n1 ZINC000309785575 384174972 /nfs/dbraw/zinc/17/49/72/384174972.db2.gz NXZVFHWVRLDPFG-MUWHJKNJSA-N 1 2 224.264 -0.008 20 0 BBADLO Cc1noc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)n1 ZINC000309785576 384175160 /nfs/dbraw/zinc/17/51/60/384175160.db2.gz NXZVFHWVRLDPFG-RCOVLWMOSA-N 1 2 224.264 -0.008 20 0 BBADLO C[C@@H]([NH2+]Cc1nccn1C)C(=O)NCCF ZINC000309800408 384623588 /nfs/dbraw/zinc/62/35/88/384623588.db2.gz RBNBOSTZERFGSH-MRVPVSSYSA-N 1 2 228.271 -0.016 20 0 BBADLO C[C@H]([NH2+]Cc1nccn1C)C(=O)NCCF ZINC000309800412 384622139 /nfs/dbraw/zinc/62/21/39/384622139.db2.gz RBNBOSTZERFGSH-QMMMGPOBSA-N 1 2 228.271 -0.016 20 0 BBADLO COC[C@H](CO)[NH2+]Cc1cn(C(C)C)nn1 ZINC000309913853 384707857 /nfs/dbraw/zinc/70/78/57/384707857.db2.gz OGINMOYLHIUQSO-JTQLQIEISA-N 1 2 228.296 -0.044 20 0 BBADLO CCc1cc(NCC(=O)NCCO)nc[nH+]1 ZINC000309918902 491158226 /nfs/dbraw/zinc/15/82/26/491158226.db2.gz QWRDENIFSVPUEG-UHFFFAOYSA-N 1 2 224.264 -0.441 20 0 BBADLO CNC(=O)[C@@H]([NH2+]Cc1cnn(C)n1)C(C)C ZINC000309971555 634055191 /nfs/dbraw/zinc/05/51/91/634055191.db2.gz PTQXYCQVYCBUKR-VIFPVBQESA-N 1 2 225.296 -0.325 20 0 BBADLO CNS(=O)(=O)CCNCc1[nH+]cc(C)n1C ZINC000309973696 384754956 /nfs/dbraw/zinc/75/49/56/384754956.db2.gz RDSIOCYUVMRTGB-UHFFFAOYSA-N 1 2 246.336 -0.633 20 0 BBADLO CNS(=O)(=O)CC[NH2+]Cc1ncc(C)n1C ZINC000309973696 384754952 /nfs/dbraw/zinc/75/49/52/384754952.db2.gz RDSIOCYUVMRTGB-UHFFFAOYSA-N 1 2 246.336 -0.633 20 0 BBADLO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC000309976732 634009806 /nfs/dbraw/zinc/00/98/06/634009806.db2.gz TYFZSTSWXXHOHI-MRVPVSSYSA-N 1 2 246.336 -0.272 20 0 BBADLO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC000309976733 632688897 /nfs/dbraw/zinc/68/88/97/632688897.db2.gz TYFZSTSWXXHOHI-QMMMGPOBSA-N 1 2 246.336 -0.272 20 0 BBADLO COC[C@@H](NCc1[nH+]ccn1C)C(=O)OC ZINC000309982477 384761400 /nfs/dbraw/zinc/76/14/00/384761400.db2.gz WXBZYRUFUSCPNE-MRVPVSSYSA-N 1 2 227.264 -0.302 20 0 BBADLO COC[C@H](NCc1[nH+]ccn1C)C(=O)OC ZINC000309982478 384998732 /nfs/dbraw/zinc/99/87/32/384998732.db2.gz WXBZYRUFUSCPNE-QMMMGPOBSA-N 1 2 227.264 -0.302 20 0 BBADLO C[C@@H]1COCCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000309983856 388471343 /nfs/dbraw/zinc/47/13/43/388471343.db2.gz UOEHPNCKZQFGAQ-NEPJUHHUSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@H]1COCCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000309983857 388470939 /nfs/dbraw/zinc/47/09/39/388470939.db2.gz UOEHPNCKZQFGAQ-RYUDHWBXSA-N 1 2 244.335 -0.600 20 0 BBADLO CC[C@H](C)[C@H]([NH2+]Cc1ncnn1C)C(N)=O ZINC000309998200 634061221 /nfs/dbraw/zinc/06/12/21/634061221.db2.gz CVNUCZTYDQQVDH-CBAPKCEASA-N 1 2 225.296 -0.195 20 0 BBADLO CC[C@H](C)[C@H]([NH2+]Cc1cnn(C)n1)C(N)=O ZINC000310007738 711703105 /nfs/dbraw/zinc/70/31/05/711703105.db2.gz HKQRRFYJUHMVMF-CBAPKCEASA-N 1 2 225.296 -0.195 20 0 BBADLO C[C@H](O)CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000310022614 384789929 /nfs/dbraw/zinc/78/99/29/384789929.db2.gz OBCUOGBGQNONNS-BQBZGAKWSA-N 1 2 222.235 -0.129 20 0 BBADLO C[C@H](O)CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000310022616 384790623 /nfs/dbraw/zinc/79/06/23/384790623.db2.gz OBCUOGBGQNONNS-NKWVEPMBSA-N 1 2 222.235 -0.129 20 0 BBADLO C[C@@H](O)CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000310022618 384789465 /nfs/dbraw/zinc/78/94/65/384789465.db2.gz OBCUOGBGQNONNS-RNFRBKRXSA-N 1 2 222.235 -0.129 20 0 BBADLO C[C@@H](O)CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000310022620 384789733 /nfs/dbraw/zinc/78/97/33/384789733.db2.gz OBCUOGBGQNONNS-RQJHMYQMSA-N 1 2 222.235 -0.129 20 0 BBADLO CC[C@@H]([NH2+]CCc1nnnn1C)C(=O)OC ZINC000310041564 370291672 /nfs/dbraw/zinc/29/16/72/370291672.db2.gz YSRUELIIKWSVQN-SSDOTTSWSA-N 1 2 227.268 -0.706 20 0 BBADLO CC[C@H]([NH2+]CCc1nnnn1C)C(=O)OC ZINC000310041565 370291221 /nfs/dbraw/zinc/29/12/21/370291221.db2.gz YSRUELIIKWSVQN-ZETCQYMHSA-N 1 2 227.268 -0.706 20 0 BBADLO COCCOCCN(C)c1nc(N)nc(C)[nH+]1 ZINC000310083654 386084998 /nfs/dbraw/zinc/08/49/98/386084998.db2.gz FKELOGFPNHFEGH-UHFFFAOYSA-N 1 2 241.295 -0.139 20 0 BBADLO COCCOCCN(C)c1nc(C)[nH+]c(N)n1 ZINC000310083654 386084992 /nfs/dbraw/zinc/08/49/92/386084992.db2.gz FKELOGFPNHFEGH-UHFFFAOYSA-N 1 2 241.295 -0.139 20 0 BBADLO COC(=O)[C@@H]1C[N@@H+](CCc2cn[nH]c2)CCO1 ZINC000310089631 384828126 /nfs/dbraw/zinc/82/81/26/384828126.db2.gz IQPZXHRCMGNKSZ-JTQLQIEISA-N 1 2 239.275 -0.174 20 0 BBADLO COC(=O)[C@@H]1C[N@H+](CCc2cn[nH]c2)CCO1 ZINC000310089631 384828119 /nfs/dbraw/zinc/82/81/19/384828119.db2.gz IQPZXHRCMGNKSZ-JTQLQIEISA-N 1 2 239.275 -0.174 20 0 BBADLO COC(=O)[C@H]1C[N@@H+](CCc2cn[nH]c2)CCO1 ZINC000310089632 384828855 /nfs/dbraw/zinc/82/88/55/384828855.db2.gz IQPZXHRCMGNKSZ-SNVBAGLBSA-N 1 2 239.275 -0.174 20 0 BBADLO COC(=O)[C@H]1C[N@H+](CCc2cn[nH]c2)CCO1 ZINC000310089632 384828850 /nfs/dbraw/zinc/82/88/50/384828850.db2.gz IQPZXHRCMGNKSZ-SNVBAGLBSA-N 1 2 239.275 -0.174 20 0 BBADLO COCCN(CCOC)c1nc(N)nc(C)[nH+]1 ZINC000310106421 386102914 /nfs/dbraw/zinc/10/29/14/386102914.db2.gz NMYMIXRFOSROCD-UHFFFAOYSA-N 1 2 241.295 -0.139 20 0 BBADLO COCCN(CCOC)c1nc(C)[nH+]c(N)n1 ZINC000310106421 386102910 /nfs/dbraw/zinc/10/29/10/386102910.db2.gz NMYMIXRFOSROCD-UHFFFAOYSA-N 1 2 241.295 -0.139 20 0 BBADLO Cc1c[nH]nc1C(=O)N1CC[NH+](CCO)CC1 ZINC000310212329 488094635 /nfs/dbraw/zinc/09/46/35/488094635.db2.gz KQTFODTZSRTGEC-UHFFFAOYSA-N 1 2 238.291 -0.532 20 0 BBADLO CC[C@@H]1C(=O)NCCN1c1nc(N)nc(C)[nH+]1 ZINC000310229078 386379308 /nfs/dbraw/zinc/37/93/08/386379308.db2.gz JBHBNAQTCXMYDJ-SSDOTTSWSA-N 1 2 236.279 -0.523 20 0 BBADLO CC[C@@H]1C(=O)NCCN1c1nc(C)[nH+]c(N)n1 ZINC000310229078 386379303 /nfs/dbraw/zinc/37/93/03/386379303.db2.gz JBHBNAQTCXMYDJ-SSDOTTSWSA-N 1 2 236.279 -0.523 20 0 BBADLO CC[C@H]1C(=O)NCCN1c1nc(N)nc(C)[nH+]1 ZINC000310229083 398129888 /nfs/dbraw/zinc/12/98/88/398129888.db2.gz JBHBNAQTCXMYDJ-ZETCQYMHSA-N 1 2 236.279 -0.523 20 0 BBADLO CC[C@H]1C(=O)NCCN1c1nc(C)[nH+]c(N)n1 ZINC000310229083 398129885 /nfs/dbraw/zinc/12/98/85/398129885.db2.gz JBHBNAQTCXMYDJ-ZETCQYMHSA-N 1 2 236.279 -0.523 20 0 BBADLO Cc1nc(NCCN2CCOCC2)nc(N)[nH+]1 ZINC000310258764 386166844 /nfs/dbraw/zinc/16/68/44/386166844.db2.gz PYRDJRWLSOOICJ-UHFFFAOYSA-N 1 2 238.295 -0.494 20 0 BBADLO CC(=O)N1CCN(c2nc(N)nc(C)[nH+]2)CC1 ZINC000310278675 386172439 /nfs/dbraw/zinc/17/24/39/386172439.db2.gz VOMRKEHUCUJZEB-UHFFFAOYSA-N 1 2 236.279 -0.569 20 0 BBADLO CC(=O)N1CCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000310278675 386172433 /nfs/dbraw/zinc/17/24/33/386172433.db2.gz VOMRKEHUCUJZEB-UHFFFAOYSA-N 1 2 236.279 -0.569 20 0 BBADLO CCOC(=O)N1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000310286806 528993360 /nfs/dbraw/zinc/99/33/60/528993360.db2.gz GYWQRZUVQXRQAQ-NXEZZACHSA-N 1 2 244.291 -0.480 20 0 BBADLO CCOC(=O)N1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000310286808 388479556 /nfs/dbraw/zinc/47/95/56/388479556.db2.gz GYWQRZUVQXRQAQ-VHSXEESVSA-N 1 2 244.291 -0.480 20 0 BBADLO CCCCOC(=O)C[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000310318915 384972336 /nfs/dbraw/zinc/97/23/36/384972336.db2.gz WBHIOUPXHXRWOX-LLVKDONJSA-N 1 2 244.291 -0.748 20 0 BBADLO CCCCOC(=O)C[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000310318915 384972332 /nfs/dbraw/zinc/97/23/32/384972332.db2.gz WBHIOUPXHXRWOX-LLVKDONJSA-N 1 2 244.291 -0.748 20 0 BBADLO CCCCOC(=O)C[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000310318918 384972800 /nfs/dbraw/zinc/97/28/00/384972800.db2.gz WBHIOUPXHXRWOX-NSHDSACASA-N 1 2 244.291 -0.748 20 0 BBADLO CCCCOC(=O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000310318918 384972796 /nfs/dbraw/zinc/97/27/96/384972796.db2.gz WBHIOUPXHXRWOX-NSHDSACASA-N 1 2 244.291 -0.748 20 0 BBADLO Cn1ncc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)n1 ZINC000310319407 632719371 /nfs/dbraw/zinc/71/93/71/632719371.db2.gz YFQOFXGBIHJAFA-MRVPVSSYSA-N 1 2 237.263 -0.948 20 0 BBADLO Cn1ncc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)n1 ZINC000310319408 632720375 /nfs/dbraw/zinc/72/03/75/632720375.db2.gz YFQOFXGBIHJAFA-QMMMGPOBSA-N 1 2 237.263 -0.948 20 0 BBADLO CCCn1ncnc1C[N@@H+](CCO)C[C@H](C)O ZINC000310327946 384978577 /nfs/dbraw/zinc/97/85/77/384978577.db2.gz JJEABIUNHXVIIT-JTQLQIEISA-N 1 2 242.323 -0.137 20 0 BBADLO CCCn1ncnc1C[N@H+](CCO)C[C@H](C)O ZINC000310327946 384978568 /nfs/dbraw/zinc/97/85/68/384978568.db2.gz JJEABIUNHXVIIT-JTQLQIEISA-N 1 2 242.323 -0.137 20 0 BBADLO CCCn1ncnc1C[N@@H+](CCO)C[C@@H](C)O ZINC000310327947 384978377 /nfs/dbraw/zinc/97/83/77/384978377.db2.gz JJEABIUNHXVIIT-SNVBAGLBSA-N 1 2 242.323 -0.137 20 0 BBADLO CCCn1ncnc1C[N@H+](CCO)C[C@@H](C)O ZINC000310327947 384978365 /nfs/dbraw/zinc/97/83/65/384978365.db2.gz JJEABIUNHXVIIT-SNVBAGLBSA-N 1 2 242.323 -0.137 20 0 BBADLO COCC[C@@](C)(O)CNC(=O)Cn1cc[nH+]c1 ZINC000310338994 347267387 /nfs/dbraw/zinc/26/73/87/347267387.db2.gz DKADWIKUYSEOGQ-LLVKDONJSA-N 1 2 241.291 -0.213 20 0 BBADLO COCC[C@](C)(O)CNC(=O)Cn1cc[nH+]c1 ZINC000310338995 347267620 /nfs/dbraw/zinc/26/76/20/347267620.db2.gz DKADWIKUYSEOGQ-NSHDSACASA-N 1 2 241.291 -0.213 20 0 BBADLO C[C@@H]1OCC[C@@]1(O)CNC(=O)Cn1cc[nH+]c1 ZINC000310345284 384997816 /nfs/dbraw/zinc/99/78/16/384997816.db2.gz FVVGOZLPBADUGZ-GXSJLCMTSA-N 1 2 239.275 -0.461 20 0 BBADLO C[C@H]1OCC[C@]1(O)CNC(=O)Cn1cc[nH+]c1 ZINC000310345285 384999900 /nfs/dbraw/zinc/99/99/00/384999900.db2.gz FVVGOZLPBADUGZ-KOLCDFICSA-N 1 2 239.275 -0.461 20 0 BBADLO C[C@H]1OCC[C@@]1(O)CNC(=O)Cn1cc[nH+]c1 ZINC000310345286 384998339 /nfs/dbraw/zinc/99/83/39/384998339.db2.gz FVVGOZLPBADUGZ-MWLCHTKSSA-N 1 2 239.275 -0.461 20 0 BBADLO C[C@@H]1OCC[C@]1(O)CNC(=O)Cn1cc[nH+]c1 ZINC000310345287 384997754 /nfs/dbraw/zinc/99/77/54/384997754.db2.gz FVVGOZLPBADUGZ-ONGXEEELSA-N 1 2 239.275 -0.461 20 0 BBADLO CC1(C)C(=O)NCCN1C(=O)Cn1cc[nH+]c1 ZINC000310351808 370337113 /nfs/dbraw/zinc/33/71/13/370337113.db2.gz HHQOERBULIGDKW-UHFFFAOYSA-N 1 2 236.275 -0.380 20 0 BBADLO O=C(Cn1ccnc1)N1CC[NH+](CCO)CC1 ZINC000310395883 343470526 /nfs/dbraw/zinc/47/05/26/343470526.db2.gz LYZJYKXDNOHEQN-UHFFFAOYSA-N 1 2 238.291 -0.980 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCc1cn[nH]c1 ZINC000310409170 632738107 /nfs/dbraw/zinc/73/81/07/632738107.db2.gz IQDGDIHGHHXSKK-NXEZZACHSA-N 1 2 239.275 -0.440 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCc1cn[nH]c1 ZINC000310409170 632738101 /nfs/dbraw/zinc/73/81/01/632738101.db2.gz IQDGDIHGHHXSKK-NXEZZACHSA-N 1 2 239.275 -0.440 20 0 BBADLO Cc1cc(N2CCC[C@](O)(C(N)=O)C2)nc[nH+]1 ZINC000310421249 136220734 /nfs/dbraw/zinc/22/07/34/136220734.db2.gz YZFZQVFGOPWNPB-LLVKDONJSA-N 1 2 236.275 -0.398 20 0 BBADLO Cc1cc(N2CCC[C@@](O)(C(N)=O)C2)nc[nH+]1 ZINC000310421251 136220666 /nfs/dbraw/zinc/22/06/66/136220666.db2.gz YZFZQVFGOPWNPB-NSHDSACASA-N 1 2 236.275 -0.398 20 0 BBADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H](CO)O1 ZINC000310429005 370344575 /nfs/dbraw/zinc/34/45/75/370344575.db2.gz SGYRXTYCPGMNAU-NXEZZACHSA-N 1 2 239.275 -0.509 20 0 BBADLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H](CO)O1 ZINC000310429006 370344408 /nfs/dbraw/zinc/34/44/08/370344408.db2.gz SGYRXTYCPGMNAU-UWVGGRQHSA-N 1 2 239.275 -0.509 20 0 BBADLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H](CO)O1 ZINC000310429007 370344593 /nfs/dbraw/zinc/34/45/93/370344593.db2.gz SGYRXTYCPGMNAU-VHSXEESVSA-N 1 2 239.275 -0.509 20 0 BBADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H](CO)O1 ZINC000310429008 370344172 /nfs/dbraw/zinc/34/41/72/370344172.db2.gz SGYRXTYCPGMNAU-ZJUUUORDSA-N 1 2 239.275 -0.509 20 0 BBADLO C[C@@H](O)C[N@@H+](CCO)Cc1nnnn1C1CC1 ZINC000310430132 385063763 /nfs/dbraw/zinc/06/37/63/385063763.db2.gz MZVITEZHNBRFPW-MRVPVSSYSA-N 1 2 241.295 -0.817 20 0 BBADLO C[C@@H](O)C[N@H+](CCO)Cc1nnnn1C1CC1 ZINC000310430132 385063761 /nfs/dbraw/zinc/06/37/61/385063761.db2.gz MZVITEZHNBRFPW-MRVPVSSYSA-N 1 2 241.295 -0.817 20 0 BBADLO C[C@H](O)C[N@@H+](CCO)Cc1nnnn1C1CC1 ZINC000310430138 385062309 /nfs/dbraw/zinc/06/23/09/385062309.db2.gz MZVITEZHNBRFPW-QMMMGPOBSA-N 1 2 241.295 -0.817 20 0 BBADLO C[C@H](O)C[N@H+](CCO)Cc1nnnn1C1CC1 ZINC000310430138 385062303 /nfs/dbraw/zinc/06/23/03/385062303.db2.gz MZVITEZHNBRFPW-QMMMGPOBSA-N 1 2 241.295 -0.817 20 0 BBADLO CC(C)(CNC(=O)Cn1cc[nH+]c1)OCCO ZINC000310446043 188171859 /nfs/dbraw/zinc/17/18/59/188171859.db2.gz WYZYQQWNBRRRBJ-UHFFFAOYSA-N 1 2 241.291 -0.213 20 0 BBADLO Cn1cnc(C[NH2+]CC(=O)N2CCOCC2)c1 ZINC000310501384 636205248 /nfs/dbraw/zinc/20/52/48/636205248.db2.gz IATVXNPPIOTBSX-UHFFFAOYSA-N 1 2 238.291 -0.632 20 0 BBADLO CO[C@@H]1C[C@@H](CO)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000310505282 385098248 /nfs/dbraw/zinc/09/82/48/385098248.db2.gz KHPVORXXSOVTDQ-VHSXEESVSA-N 1 2 239.275 -0.509 20 0 BBADLO CCn1ncnc1C[N@H+]1C[C@@H](OC)C[C@H]1CO ZINC000310523480 172279920 /nfs/dbraw/zinc/27/99/20/172279920.db2.gz OFMSECXPFIICNY-UWVGGRQHSA-N 1 2 240.307 -0.120 20 0 BBADLO CCn1ncnc1C[N@@H+]1C[C@@H](OC)C[C@H]1CO ZINC000310523480 172279917 /nfs/dbraw/zinc/27/99/17/172279917.db2.gz OFMSECXPFIICNY-UWVGGRQHSA-N 1 2 240.307 -0.120 20 0 BBADLO COC(=O)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000310548068 343529376 /nfs/dbraw/zinc/52/93/76/343529376.db2.gz SXYDMDLHKQPIIF-SECBINFHSA-N 1 2 237.259 -0.095 20 0 BBADLO COC(=O)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000310548070 343529763 /nfs/dbraw/zinc/52/97/63/343529763.db2.gz SXYDMDLHKQPIIF-VIFPVBQESA-N 1 2 237.259 -0.095 20 0 BBADLO COc1c(N)nc[nH+]c1NC1COCCOC1 ZINC000310578738 411242072 /nfs/dbraw/zinc/24/20/72/411242072.db2.gz QJBVEBXPCBUUOW-UHFFFAOYSA-N 1 2 240.263 -0.105 20 0 BBADLO COc1c(N)[nH+]cnc1NC1COCCOC1 ZINC000310578738 411242070 /nfs/dbraw/zinc/24/20/70/411242070.db2.gz QJBVEBXPCBUUOW-UHFFFAOYSA-N 1 2 240.263 -0.105 20 0 BBADLO Cc1nc(N)nc(N2CCN3C(=O)CC[C@@H]3C2)[nH+]1 ZINC000310665431 386224302 /nfs/dbraw/zinc/22/43/02/386224302.db2.gz FWJKCZFUWFXVRP-MRVPVSSYSA-N 1 2 248.290 -0.427 20 0 BBADLO Cc1nc(N2CCN3C(=O)CC[C@@H]3C2)nc(N)[nH+]1 ZINC000310665431 386224296 /nfs/dbraw/zinc/22/42/96/386224296.db2.gz FWJKCZFUWFXVRP-MRVPVSSYSA-N 1 2 248.290 -0.427 20 0 BBADLO Cc1nc(N)nc(N2CCN3C(=O)CC[C@H]3C2)[nH+]1 ZINC000310665440 386224027 /nfs/dbraw/zinc/22/40/27/386224027.db2.gz FWJKCZFUWFXVRP-QMMMGPOBSA-N 1 2 248.290 -0.427 20 0 BBADLO Cc1nc(N2CCN3C(=O)CC[C@H]3C2)nc(N)[nH+]1 ZINC000310665440 386224022 /nfs/dbraw/zinc/22/40/22/386224022.db2.gz FWJKCZFUWFXVRP-QMMMGPOBSA-N 1 2 248.290 -0.427 20 0 BBADLO C[C@H](NC(=O)Cc1cn2ccccc2[nH+]1)C(N)=O ZINC000310800993 385172516 /nfs/dbraw/zinc/17/25/16/385172516.db2.gz SYQORUQTQZLWJA-QMMMGPOBSA-N 1 2 246.270 -0.133 20 0 BBADLO CC(C)OC(=O)CNC(=O)Cn1cc[nH+]c1 ZINC000312699265 634268419 /nfs/dbraw/zinc/26/84/19/634268419.db2.gz OCYKEGCHOYUKGC-UHFFFAOYSA-N 1 2 225.248 -0.049 20 0 BBADLO Cn1c[nH+]c(CCNC(=O)C(C)(C)O)c1 ZINC000313455370 351359167 /nfs/dbraw/zinc/35/91/67/351359167.db2.gz BZGNLLNWLVFEKX-UHFFFAOYSA-N 1 2 211.265 -0.150 20 0 BBADLO Cn1c[nH+]c(CCNc2nnnn2C)c1 ZINC000313468175 487525372 /nfs/dbraw/zinc/52/53/72/487525372.db2.gz JUBRXTJHNQYNEN-UHFFFAOYSA-N 1 2 207.241 -0.402 20 0 BBADLO Cn1ncc(C[N@H+]2CCC[C@@](O)(CO)C2)n1 ZINC000313646771 634504069 /nfs/dbraw/zinc/50/40/69/634504069.db2.gz XBWFZVOTVFURHG-JTQLQIEISA-N 1 2 226.280 -0.866 20 0 BBADLO Cn1ncc(C[N@@H+]2CCC[C@@](O)(CO)C2)n1 ZINC000313646771 634504063 /nfs/dbraw/zinc/50/40/63/634504063.db2.gz XBWFZVOTVFURHG-JTQLQIEISA-N 1 2 226.280 -0.866 20 0 BBADLO Cn1ncc(C[N@H+]2CCC[C@](O)(CO)C2)n1 ZINC000313646773 634504198 /nfs/dbraw/zinc/50/41/98/634504198.db2.gz XBWFZVOTVFURHG-SNVBAGLBSA-N 1 2 226.280 -0.866 20 0 BBADLO Cn1ncc(C[N@@H+]2CCC[C@](O)(CO)C2)n1 ZINC000313646773 634504192 /nfs/dbraw/zinc/50/41/92/634504192.db2.gz XBWFZVOTVFURHG-SNVBAGLBSA-N 1 2 226.280 -0.866 20 0 BBADLO CCOC(=O)C[NH+]1CCC(O)(CO)CC1 ZINC000313654178 488053014 /nfs/dbraw/zinc/05/30/14/488053014.db2.gz NLSXQFFNKCJHOB-UHFFFAOYSA-N 1 2 217.265 -0.631 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+]1CCC[C@](O)(CO)C1 ZINC000313655724 256594482 /nfs/dbraw/zinc/59/44/82/256594482.db2.gz PFFXNRMTJIJEAU-GXSJLCMTSA-N 1 2 231.292 -0.243 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+]1CCC[C@](O)(CO)C1 ZINC000313655724 256594480 /nfs/dbraw/zinc/59/44/80/256594480.db2.gz PFFXNRMTJIJEAU-GXSJLCMTSA-N 1 2 231.292 -0.243 20 0 BBADLO CCOC(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(CO)C1 ZINC000313655727 384832121 /nfs/dbraw/zinc/83/21/21/384832121.db2.gz PFFXNRMTJIJEAU-KOLCDFICSA-N 1 2 231.292 -0.243 20 0 BBADLO CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000313655727 384832113 /nfs/dbraw/zinc/83/21/13/384832113.db2.gz PFFXNRMTJIJEAU-KOLCDFICSA-N 1 2 231.292 -0.243 20 0 BBADLO CCOC(=O)[C@@H](C)[N@H+]1CCC[C@](O)(CO)C1 ZINC000313655728 256594474 /nfs/dbraw/zinc/59/44/74/256594474.db2.gz PFFXNRMTJIJEAU-MWLCHTKSSA-N 1 2 231.292 -0.243 20 0 BBADLO CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@](O)(CO)C1 ZINC000313655728 256594471 /nfs/dbraw/zinc/59/44/71/256594471.db2.gz PFFXNRMTJIJEAU-MWLCHTKSSA-N 1 2 231.292 -0.243 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+]1CCC[C@@](O)(CO)C1 ZINC000313655731 384832277 /nfs/dbraw/zinc/83/22/77/384832277.db2.gz PFFXNRMTJIJEAU-ONGXEEELSA-N 1 2 231.292 -0.243 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000313655731 384832272 /nfs/dbraw/zinc/83/22/72/384832272.db2.gz PFFXNRMTJIJEAU-ONGXEEELSA-N 1 2 231.292 -0.243 20 0 BBADLO OCc1cc[nH+]c(N2CCC[C@](O)(CO)C2)c1 ZINC000313656351 387499446 /nfs/dbraw/zinc/49/94/46/387499446.db2.gz XQEZJWQTCUQUTQ-GFCCVEGCSA-N 1 2 238.287 -0.103 20 0 BBADLO OCc1cc[nH+]c(N2CCC[C@@](O)(CO)C2)c1 ZINC000313656354 387497775 /nfs/dbraw/zinc/49/77/75/387497775.db2.gz XQEZJWQTCUQUTQ-LBPRGKRZSA-N 1 2 238.287 -0.103 20 0 BBADLO COC(=O)[C@@H](C)[NH+]1CCC(O)(CO)CC1 ZINC000313662682 488052951 /nfs/dbraw/zinc/05/29/51/488052951.db2.gz WYPDPWMMNZWSGH-MRVPVSSYSA-N 1 2 217.265 -0.633 20 0 BBADLO COC(=O)[C@H](C)[NH+]1CCC(O)(CO)CC1 ZINC000313662683 350164478 /nfs/dbraw/zinc/16/44/78/350164478.db2.gz WYPDPWMMNZWSGH-QMMMGPOBSA-N 1 2 217.265 -0.633 20 0 BBADLO CCOC(=O)[C@@H](C)[NH+]1CCC(O)(CO)CC1 ZINC000313666506 350164314 /nfs/dbraw/zinc/16/43/14/350164314.db2.gz BFVQKYGHGLLZNG-SECBINFHSA-N 1 2 231.292 -0.243 20 0 BBADLO CCOC(=O)[C@H](C)[NH+]1CCC(O)(CO)CC1 ZINC000313666507 350164264 /nfs/dbraw/zinc/16/42/64/350164264.db2.gz BFVQKYGHGLLZNG-VIFPVBQESA-N 1 2 231.292 -0.243 20 0 BBADLO CNc1cc(N2CCC(O)(CO)CC2)[nH+]cn1 ZINC000313773835 634517969 /nfs/dbraw/zinc/51/79/69/634517969.db2.gz YATRFCFQSCAGOK-UHFFFAOYSA-N 1 2 238.291 -0.158 20 0 BBADLO CNc1cc(N2CCC(O)(CO)CC2)nc[nH+]1 ZINC000313773835 634517956 /nfs/dbraw/zinc/51/79/56/634517956.db2.gz YATRFCFQSCAGOK-UHFFFAOYSA-N 1 2 238.291 -0.158 20 0 BBADLO Cn1cnn(CCCc2c[nH+]cn2C)c1=O ZINC000314246131 633778927 /nfs/dbraw/zinc/77/89/27/633778927.db2.gz WYSKDEBKPSUMFP-UHFFFAOYSA-N 1 2 221.264 -0.052 20 0 BBADLO COc1ccc[nH+]c1N1C[C@H](O)[C@@H](CO)C1 ZINC000316606825 384021863 /nfs/dbraw/zinc/02/18/63/384021863.db2.gz YZKHBOACKOMUHZ-BDAKNGLRSA-N 1 2 224.260 -0.120 20 0 BBADLO COc1ccc[nH+]c1N1C[C@@H](O)[C@H](CO)C1 ZINC000316606827 322965985 /nfs/dbraw/zinc/96/59/85/322965985.db2.gz YZKHBOACKOMUHZ-DTWKUNHWSA-N 1 2 224.260 -0.120 20 0 BBADLO COc1ccc[nH+]c1N1C[C@H](O)[C@H](CO)C1 ZINC000316606829 384022011 /nfs/dbraw/zinc/02/20/11/384022011.db2.gz YZKHBOACKOMUHZ-IUCAKERBSA-N 1 2 224.260 -0.120 20 0 BBADLO COc1ccc[nH+]c1N1C[C@H](CO)[C@H](O)C1 ZINC000316606831 322966019 /nfs/dbraw/zinc/96/60/19/322966019.db2.gz YZKHBOACKOMUHZ-RKDXNWHRSA-N 1 2 224.260 -0.120 20 0 BBADLO Cc1cc(N2C[C@H](O)[C@@H](CO)C2)nc[nH+]1 ZINC000317693293 487987083 /nfs/dbraw/zinc/98/70/83/487987083.db2.gz RLHIKQRMPVFRBU-BDAKNGLRSA-N 1 2 209.249 -0.426 20 0 BBADLO Cc1cc(N2C[C@@H](O)[C@H](CO)C2)nc[nH+]1 ZINC000317693294 487986691 /nfs/dbraw/zinc/98/66/91/487986691.db2.gz RLHIKQRMPVFRBU-DTWKUNHWSA-N 1 2 209.249 -0.426 20 0 BBADLO Cc1cc(N2C[C@H](O)[C@H](CO)C2)nc[nH+]1 ZINC000317693295 487986854 /nfs/dbraw/zinc/98/68/54/487986854.db2.gz RLHIKQRMPVFRBU-IUCAKERBSA-N 1 2 209.249 -0.426 20 0 BBADLO Cc1cc(N2C[C@H](CO)[C@H](O)C2)nc[nH+]1 ZINC000317693296 487986918 /nfs/dbraw/zinc/98/69/18/487986918.db2.gz RLHIKQRMPVFRBU-RKDXNWHRSA-N 1 2 209.249 -0.426 20 0 BBADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@H]1O ZINC000323224100 347964649 /nfs/dbraw/zinc/96/46/49/347964649.db2.gz ZTYHUHPRZINFBM-RKDXNWHRSA-N 1 2 209.249 -0.087 20 0 BBADLO O=C(CCn1cc[nH+]c1)N[C@H]1COC[C@H]1O ZINC000323251979 384558284 /nfs/dbraw/zinc/55/82/84/384558284.db2.gz GOVJPEQMSHARND-DTWKUNHWSA-N 1 2 225.248 -0.851 20 0 BBADLO CNc1cc(N[C@@H]2COC[C@H]2O)[nH+]cn1 ZINC000323270333 636911303 /nfs/dbraw/zinc/91/13/03/636911303.db2.gz FUBCUBCYESNXIW-RNFRBKRXSA-N 1 2 210.237 -0.310 20 0 BBADLO CNc1cc(N[C@@H]2COC[C@H]2O)nc[nH+]1 ZINC000323270333 636911296 /nfs/dbraw/zinc/91/12/96/636911296.db2.gz FUBCUBCYESNXIW-RNFRBKRXSA-N 1 2 210.237 -0.310 20 0 BBADLO CNc1cc(N[C@@H]2COC[C@@H]2O)[nH+]cn1 ZINC000323270334 636911632 /nfs/dbraw/zinc/91/16/32/636911632.db2.gz FUBCUBCYESNXIW-RQJHMYQMSA-N 1 2 210.237 -0.310 20 0 BBADLO CNc1cc(N[C@@H]2COC[C@@H]2O)nc[nH+]1 ZINC000323270334 636911625 /nfs/dbraw/zinc/91/16/25/636911625.db2.gz FUBCUBCYESNXIW-RQJHMYQMSA-N 1 2 210.237 -0.310 20 0 BBADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1COC[C@@H]1O ZINC000323342659 384828269 /nfs/dbraw/zinc/82/82/69/384828269.db2.gz HAPZTIHOUWMOHJ-SFYZADRCSA-N 1 2 235.247 -0.465 20 0 BBADLO COC(=O)c1occc1C[NH2+][C@@H]1COC[C@@H]1O ZINC000323382179 633755385 /nfs/dbraw/zinc/75/53/85/633755385.db2.gz HERBBJQEJWMOHR-BDAKNGLRSA-N 1 2 241.243 -0.085 20 0 BBADLO CC(C)(C)n1cc(C[NH2+][C@@H]2COC[C@@H]2O)nn1 ZINC000323433991 388263863 /nfs/dbraw/zinc/26/38/63/388263863.db2.gz QXCZAVWJYGUWJG-ZJUUUORDSA-N 1 2 240.307 -0.118 20 0 BBADLO CC(C)n1ncnc1C[NH2+][C@@H]1COC[C@@H]1O ZINC000323444507 388264703 /nfs/dbraw/zinc/26/47/03/388264703.db2.gz SUEYUMWCHUCIEN-BDAKNGLRSA-N 1 2 226.280 -0.292 20 0 BBADLO CC(C)n1ncnc1C[NH2+][C@@H]1COC[C@H]1O ZINC000323444512 388264541 /nfs/dbraw/zinc/26/45/41/388264541.db2.gz SUEYUMWCHUCIEN-RKDXNWHRSA-N 1 2 226.280 -0.292 20 0 BBADLO Nc1nc[nH+]c(N[C@@H]2COC[C@@H]2O)c1Cl ZINC000323876514 388092818 /nfs/dbraw/zinc/09/28/18/388092818.db2.gz USHHSBLPWODEMO-UHNVWZDZSA-N 1 2 230.655 -0.116 20 0 BBADLO Nc1[nH+]cnc(N[C@@H]2COC[C@@H]2O)c1Cl ZINC000323876514 388092816 /nfs/dbraw/zinc/09/28/16/388092816.db2.gz USHHSBLPWODEMO-UHNVWZDZSA-N 1 2 230.655 -0.116 20 0 BBADLO C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1ccn(C)n1 ZINC000328160689 388404332 /nfs/dbraw/zinc/40/43/32/388404332.db2.gz VFTPEUZWDGEGPT-APPZFPTMSA-N 1 2 224.264 -0.265 20 0 BBADLO Cn1ncc2c1nc(N1CC(O)C1)[nH+]c2N ZINC000328598480 388645788 /nfs/dbraw/zinc/64/57/88/388645788.db2.gz BFNWYIASJOUFMJ-UHFFFAOYSA-N 1 2 220.236 -0.874 20 0 BBADLO Cc1noc(CN2C[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000328609162 386600023 /nfs/dbraw/zinc/60/00/23/386600023.db2.gz MMLSESQDNKQNCV-UWVGGRQHSA-N 1 2 238.291 -0.107 20 0 BBADLO Cc1noc(CN2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000328609162 386600016 /nfs/dbraw/zinc/60/00/16/386600016.db2.gz MMLSESQDNKQNCV-UWVGGRQHSA-N 1 2 238.291 -0.107 20 0 BBADLO Cc1noc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)n1 ZINC000328609164 386601530 /nfs/dbraw/zinc/60/15/30/386601530.db2.gz MMLSESQDNKQNCV-ZJUUUORDSA-N 1 2 238.291 -0.107 20 0 BBADLO Cc1noc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)n1 ZINC000328609164 386601525 /nfs/dbraw/zinc/60/15/25/386601525.db2.gz MMLSESQDNKQNCV-ZJUUUORDSA-N 1 2 238.291 -0.107 20 0 BBADLO Cc1nc(CN2C[C@@H]3OCC[N@H+](C)[C@H]3C2)no1 ZINC000328611189 386601840 /nfs/dbraw/zinc/60/18/40/386601840.db2.gz OHOVWWVEYIIDRF-UWVGGRQHSA-N 1 2 238.291 -0.107 20 0 BBADLO Cc1nc(CN2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)no1 ZINC000328611189 386601824 /nfs/dbraw/zinc/60/18/24/386601824.db2.gz OHOVWWVEYIIDRF-UWVGGRQHSA-N 1 2 238.291 -0.107 20 0 BBADLO Cc1nc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)no1 ZINC000328611190 386601314 /nfs/dbraw/zinc/60/13/14/386601314.db2.gz OHOVWWVEYIIDRF-ZJUUUORDSA-N 1 2 238.291 -0.107 20 0 BBADLO Cc1nc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)no1 ZINC000328611190 386601308 /nfs/dbraw/zinc/60/13/08/386601308.db2.gz OHOVWWVEYIIDRF-ZJUUUORDSA-N 1 2 238.291 -0.107 20 0 BBADLO CN(C)c1nc(NCc2c[nH+]cn2C)n[nH]1 ZINC000328611496 412198723 /nfs/dbraw/zinc/19/87/23/412198723.db2.gz OOCJRHUXCLNYTN-UHFFFAOYSA-N 1 2 221.268 0.216 20 0 BBADLO CN(C)c1n[nH]c(NCc2c[nH+]cn2C)n1 ZINC000328611496 412198722 /nfs/dbraw/zinc/19/87/22/412198722.db2.gz OOCJRHUXCLNYTN-UHFFFAOYSA-N 1 2 221.268 0.216 20 0 BBADLO Cn1cc[nH+]c1CN1CCN2C(=O)NC[C@@H]2C1 ZINC000328614086 386600396 /nfs/dbraw/zinc/60/03/96/386600396.db2.gz QVSIPCUFXSRIDI-SECBINFHSA-N 1 2 235.291 -0.166 20 0 BBADLO Cn1c[nH+]cc1CN1CCN2C(=O)NC[C@H]2C1 ZINC000328620775 386601630 /nfs/dbraw/zinc/60/16/30/386601630.db2.gz XDTBMTYTJWNDHV-JTQLQIEISA-N 1 2 235.291 -0.166 20 0 BBADLO Cn1c[nH+]cc1CN1CCN2C(=O)NC[C@@H]2C1 ZINC000328620776 386600378 /nfs/dbraw/zinc/60/03/78/386600378.db2.gz XDTBMTYTJWNDHV-SNVBAGLBSA-N 1 2 235.291 -0.166 20 0 BBADLO CC(=O)N1CC(C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000328635044 187357105 /nfs/dbraw/zinc/35/71/05/187357105.db2.gz BWXPTOUJXJMQSR-UHFFFAOYSA-N 1 2 236.275 -0.154 20 0 BBADLO Cn1nnnc1C[N@@H+](C)C[C@H]1CCOC1 ZINC000328637021 386604235 /nfs/dbraw/zinc/60/42/35/386604235.db2.gz COIICSCGDJATTM-MRVPVSSYSA-N 1 2 211.269 -0.322 20 0 BBADLO Cn1nnnc1C[N@H+](C)C[C@H]1CCOC1 ZINC000328637021 386604227 /nfs/dbraw/zinc/60/42/27/386604227.db2.gz COIICSCGDJATTM-MRVPVSSYSA-N 1 2 211.269 -0.322 20 0 BBADLO Cn1nnnc1C[N@@H+](C)C[C@@H]1CCOC1 ZINC000328637026 386604489 /nfs/dbraw/zinc/60/44/89/386604489.db2.gz COIICSCGDJATTM-QMMMGPOBSA-N 1 2 211.269 -0.322 20 0 BBADLO Cn1nnnc1C[N@H+](C)C[C@@H]1CCOC1 ZINC000328637026 386604482 /nfs/dbraw/zinc/60/44/82/386604482.db2.gz COIICSCGDJATTM-QMMMGPOBSA-N 1 2 211.269 -0.322 20 0 BBADLO CC(=O)N1CC(C(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000328649264 187357627 /nfs/dbraw/zinc/35/76/27/187357627.db2.gz IRQYUKMNWBWXJF-UHFFFAOYSA-N 1 2 248.286 -0.296 20 0 BBADLO Cn1nnc(CN2CCn3cc[nH+]c3C2)n1 ZINC000328650979 386603912 /nfs/dbraw/zinc/60/39/12/386603912.db2.gz JLKJYJYWBVZPNB-UHFFFAOYSA-N 1 2 219.252 -0.578 20 0 BBADLO CC(C)(C(=O)N1CC(C)(O)C1)[NH+]1CCOCC1 ZINC000328667150 168066152 /nfs/dbraw/zinc/06/61/52/168066152.db2.gz DGBARBNDCQJLQV-UHFFFAOYSA-N 1 2 242.319 -0.310 20 0 BBADLO CN(Cc1nnn(C)n1)Cc1[nH+]ccn1C ZINC000328667333 537858213 /nfs/dbraw/zinc/85/82/13/537858213.db2.gz KSXAPHGIRMGHON-UHFFFAOYSA-N 1 2 221.268 -0.424 20 0 BBADLO C[C@@H]1CCC[N@@H+](Cc2nnn(C)n2)[C@H]1CO ZINC000328669890 176103589 /nfs/dbraw/zinc/10/35/89/176103589.db2.gz MJHQRSBZAQPLJH-BDAKNGLRSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@@H]1CCC[N@H+](Cc2nnn(C)n2)[C@H]1CO ZINC000328669890 176103588 /nfs/dbraw/zinc/10/35/88/176103588.db2.gz MJHQRSBZAQPLJH-BDAKNGLRSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@H]1CCC[N@@H+](Cc2nnn(C)n2)[C@@H]1CO ZINC000328669891 177103874 /nfs/dbraw/zinc/10/38/74/177103874.db2.gz MJHQRSBZAQPLJH-DTWKUNHWSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@H]1CCC[N@H+](Cc2nnn(C)n2)[C@@H]1CO ZINC000328669891 177103872 /nfs/dbraw/zinc/10/38/72/177103872.db2.gz MJHQRSBZAQPLJH-DTWKUNHWSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@H]1CCC[N@@H+](Cc2nnn(C)n2)[C@H]1CO ZINC000328669892 177103952 /nfs/dbraw/zinc/10/39/52/177103952.db2.gz MJHQRSBZAQPLJH-IUCAKERBSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@H]1CCC[N@H+](Cc2nnn(C)n2)[C@H]1CO ZINC000328669892 177103950 /nfs/dbraw/zinc/10/39/50/177103950.db2.gz MJHQRSBZAQPLJH-IUCAKERBSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@@H]1CCC[N@@H+](Cc2nnn(C)n2)[C@@H]1CO ZINC000328669893 176103446 /nfs/dbraw/zinc/10/34/46/176103446.db2.gz MJHQRSBZAQPLJH-RKDXNWHRSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@@H]1CCC[N@H+](Cc2nnn(C)n2)[C@@H]1CO ZINC000328669893 176103443 /nfs/dbraw/zinc/10/34/43/176103443.db2.gz MJHQRSBZAQPLJH-RKDXNWHRSA-N 1 2 225.296 -0.197 20 0 BBADLO O=C1CCC(=O)N1CCN1CCn2cc[nH+]c2C1 ZINC000328672615 386606976 /nfs/dbraw/zinc/60/69/76/386606976.db2.gz OKGHVYMTOMQEEW-UHFFFAOYSA-N 1 2 248.286 -0.152 20 0 BBADLO O=C1NCCN1CC[N@H+]1CCc2n[nH]cc2C1 ZINC000328674856 183025495 /nfs/dbraw/zinc/02/54/95/183025495.db2.gz QHPMXEVMSOOSQT-UHFFFAOYSA-N 1 2 235.291 -0.003 20 0 BBADLO O=C1NCCN1CC[N@@H+]1CCc2n[nH]cc2C1 ZINC000328674856 183025494 /nfs/dbraw/zinc/02/54/94/183025494.db2.gz QHPMXEVMSOOSQT-UHFFFAOYSA-N 1 2 235.291 -0.003 20 0 BBADLO Cn1nnc(C[N@H+]2CCc3n[nH]cc3C2)n1 ZINC000328675800 386607239 /nfs/dbraw/zinc/60/72/39/386607239.db2.gz RCLHXYZNOSAAGK-UHFFFAOYSA-N 1 2 219.252 -0.509 20 0 BBADLO Cn1nnc(C[N@@H+]2CCc3n[nH]cc3C2)n1 ZINC000328675800 386607235 /nfs/dbraw/zinc/60/72/35/386607235.db2.gz RCLHXYZNOSAAGK-UHFFFAOYSA-N 1 2 219.252 -0.509 20 0 BBADLO O=C1CNC(=O)N1CC[N@H+]1CCOCC12CC2 ZINC000328676464 386608091 /nfs/dbraw/zinc/60/80/91/386608091.db2.gz ABVJDOLCEQMGMO-UHFFFAOYSA-N 1 2 239.275 -0.393 20 0 BBADLO O=C1CNC(=O)N1CC[N@@H+]1CCOCC12CC2 ZINC000328676464 386608089 /nfs/dbraw/zinc/60/80/89/386608089.db2.gz ABVJDOLCEQMGMO-UHFFFAOYSA-N 1 2 239.275 -0.393 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1CCN1CCNC1=O ZINC000328681511 176047595 /nfs/dbraw/zinc/04/75/95/176047595.db2.gz VCTUFHUFJPBBIM-MRVPVSSYSA-N 1 2 226.280 -0.123 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1CCN1CCNC1=O ZINC000328681511 176047593 /nfs/dbraw/zinc/04/75/93/176047593.db2.gz VCTUFHUFJPBBIM-MRVPVSSYSA-N 1 2 226.280 -0.123 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1CCN1CCNC1=O ZINC000328681517 177060193 /nfs/dbraw/zinc/06/01/93/177060193.db2.gz VCTUFHUFJPBBIM-QMMMGPOBSA-N 1 2 226.280 -0.123 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1CCN1CCNC1=O ZINC000328681517 177060192 /nfs/dbraw/zinc/06/01/92/177060192.db2.gz VCTUFHUFJPBBIM-QMMMGPOBSA-N 1 2 226.280 -0.123 20 0 BBADLO CN1CC[C@@H]([N@@H+](C)[C@@H]2CCNC2=O)C1=O ZINC000328681973 173120686 /nfs/dbraw/zinc/12/06/86/173120686.db2.gz VIYNVONZDOBMRA-HTQZYQBOSA-N 1 2 211.265 -0.122 20 0 BBADLO CN1CC[C@@H]([N@H+](C)[C@@H]2CCNC2=O)C1=O ZINC000328681973 173120684 /nfs/dbraw/zinc/12/06/84/173120684.db2.gz VIYNVONZDOBMRA-HTQZYQBOSA-N 1 2 211.265 -0.122 20 0 BBADLO CN1CC[C@@H]([N@@H+](C)[C@H]2CCNC2=O)C1=O ZINC000328681974 173119389 /nfs/dbraw/zinc/11/93/89/173119389.db2.gz VIYNVONZDOBMRA-JGVFFNPUSA-N 1 2 211.265 -0.122 20 0 BBADLO CN1CC[C@@H]([N@H+](C)[C@H]2CCNC2=O)C1=O ZINC000328681974 173119388 /nfs/dbraw/zinc/11/93/88/173119388.db2.gz VIYNVONZDOBMRA-JGVFFNPUSA-N 1 2 211.265 -0.122 20 0 BBADLO CN1CC[C@H]([N@@H+](C)[C@@H]2CCNC2=O)C1=O ZINC000328681975 173148988 /nfs/dbraw/zinc/14/89/88/173148988.db2.gz VIYNVONZDOBMRA-SFYZADRCSA-N 1 2 211.265 -0.122 20 0 BBADLO CN1CC[C@H]([N@H+](C)[C@@H]2CCNC2=O)C1=O ZINC000328681975 173148987 /nfs/dbraw/zinc/14/89/87/173148987.db2.gz VIYNVONZDOBMRA-SFYZADRCSA-N 1 2 211.265 -0.122 20 0 BBADLO CN1CC[C@H]([N@@H+](C)[C@H]2CCNC2=O)C1=O ZINC000328681976 173149346 /nfs/dbraw/zinc/14/93/46/173149346.db2.gz VIYNVONZDOBMRA-YUMQZZPRSA-N 1 2 211.265 -0.122 20 0 BBADLO CN1CC[C@H]([N@H+](C)[C@H]2CCNC2=O)C1=O ZINC000328681976 173149345 /nfs/dbraw/zinc/14/93/45/173149345.db2.gz VIYNVONZDOBMRA-YUMQZZPRSA-N 1 2 211.265 -0.122 20 0 BBADLO Cn1cc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cn1 ZINC000328686458 386610417 /nfs/dbraw/zinc/61/04/17/386610417.db2.gz YGYGQLHVXUOPQU-SECBINFHSA-N 1 2 249.274 -0.004 20 0 BBADLO Cn1cc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cn1 ZINC000328686458 386610413 /nfs/dbraw/zinc/61/04/13/386610413.db2.gz YGYGQLHVXUOPQU-SECBINFHSA-N 1 2 249.274 -0.004 20 0 BBADLO Cn1cc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cn1 ZINC000328686459 386609265 /nfs/dbraw/zinc/60/92/65/386609265.db2.gz YGYGQLHVXUOPQU-VIFPVBQESA-N 1 2 249.274 -0.004 20 0 BBADLO Cn1cc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cn1 ZINC000328686459 386609262 /nfs/dbraw/zinc/60/92/62/386609262.db2.gz YGYGQLHVXUOPQU-VIFPVBQESA-N 1 2 249.274 -0.004 20 0 BBADLO CC1(O)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000328708898 168068479 /nfs/dbraw/zinc/06/84/79/168068479.db2.gz QNWSSDAWXSPTNP-UHFFFAOYSA-N 1 2 209.249 -0.065 20 0 BBADLO CC1(O)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000328708898 168068475 /nfs/dbraw/zinc/06/84/75/168068475.db2.gz QNWSSDAWXSPTNP-UHFFFAOYSA-N 1 2 209.249 -0.065 20 0 BBADLO Cn1c[nH+]cc1CCC(=O)N1CC(C)(O)C1 ZINC000328720165 386609038 /nfs/dbraw/zinc/60/90/38/386609038.db2.gz VYIPGKWPPQSOJL-UHFFFAOYSA-N 1 2 223.276 -0.054 20 0 BBADLO CN1CN(c2[nH+]cnc3c2cnn3C)CC1=O ZINC000328788383 173179524 /nfs/dbraw/zinc/17/95/24/173179524.db2.gz KDJCSPKUNPRZNO-UHFFFAOYSA-N 1 2 232.247 -0.401 20 0 BBADLO C[NH+]1CCN(C(=O)CSc2c[nH]nn2)CC1 ZINC000328826471 173068012 /nfs/dbraw/zinc/06/80/12/173068012.db2.gz HYPGNDTWYZXJPC-UHFFFAOYSA-N 1 2 241.320 -0.329 20 0 BBADLO C[NH+]1CCN(C(=O)CSc2cn[nH]n2)CC1 ZINC000328826471 173068009 /nfs/dbraw/zinc/06/80/09/173068009.db2.gz HYPGNDTWYZXJPC-UHFFFAOYSA-N 1 2 241.320 -0.329 20 0 BBADLO Cn1c[nH+]cc1CCC(=O)N1CC(=O)N(C)C1 ZINC000328834269 173178633 /nfs/dbraw/zinc/17/86/33/173178633.db2.gz LXNAFYFGCIQQOJ-UHFFFAOYSA-N 1 2 236.275 -0.389 20 0 BBADLO O=C(C[NH+]1CCSCC1)N1CCNC(=O)C1 ZINC000328852555 386635499 /nfs/dbraw/zinc/63/54/99/386635499.db2.gz IVONXUCVUNIWCZ-UHFFFAOYSA-N 1 2 243.332 -0.166 20 0 BBADLO Cn1nnc(C[N@H+]2CCC[C@@H](CO)CC2)n1 ZINC000328863709 388647472 /nfs/dbraw/zinc/64/74/72/388647472.db2.gz MMLLBEAUPRIGMS-SECBINFHSA-N 1 2 225.296 -0.196 20 0 BBADLO Cn1nnc(C[N@@H+]2CCC[C@@H](CO)CC2)n1 ZINC000328863709 388647471 /nfs/dbraw/zinc/64/74/71/388647471.db2.gz MMLLBEAUPRIGMS-SECBINFHSA-N 1 2 225.296 -0.196 20 0 BBADLO Cn1nnc(C[N@H+]2CCC[C@H](CO)CC2)n1 ZINC000328863710 388647000 /nfs/dbraw/zinc/64/70/00/388647000.db2.gz MMLLBEAUPRIGMS-VIFPVBQESA-N 1 2 225.296 -0.196 20 0 BBADLO Cn1nnc(C[N@@H+]2CCC[C@H](CO)CC2)n1 ZINC000328863710 388646997 /nfs/dbraw/zinc/64/69/97/388646997.db2.gz MMLLBEAUPRIGMS-VIFPVBQESA-N 1 2 225.296 -0.196 20 0 BBADLO CC[C@H](Cn1cncn1)[NH2+]Cc1nnn(C)n1 ZINC000328885488 386640887 /nfs/dbraw/zinc/64/08/87/386640887.db2.gz NMNXJQBXVJNMOM-MRVPVSSYSA-N 1 2 236.283 -0.630 20 0 BBADLO CC[C@@H](Cn1cncn1)[NH2+]Cc1nnn(C)n1 ZINC000328885515 386641230 /nfs/dbraw/zinc/64/12/30/386641230.db2.gz NMNXJQBXVJNMOM-QMMMGPOBSA-N 1 2 236.283 -0.630 20 0 BBADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1COCCN1C ZINC000328918670 386651861 /nfs/dbraw/zinc/65/18/61/386651861.db2.gz AKEZHORUJMYGQK-SECBINFHSA-N 1 2 238.291 -0.301 20 0 BBADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1COCCN1C ZINC000328918671 386653168 /nfs/dbraw/zinc/65/31/68/386653168.db2.gz AKEZHORUJMYGQK-VIFPVBQESA-N 1 2 238.291 -0.301 20 0 BBADLO CN1CCOC[C@@H]1C(=O)Nc1cc[nH+]cc1O ZINC000329050481 173098810 /nfs/dbraw/zinc/09/88/10/173098810.db2.gz WHOPBPGSDCUOAO-SECBINFHSA-N 1 2 237.259 -0.522 20 0 BBADLO CN1CCOC[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000329050482 173099983 /nfs/dbraw/zinc/09/99/83/173099983.db2.gz WHOPBPGSDCUOAO-VIFPVBQESA-N 1 2 237.259 -0.522 20 0 BBADLO Cn1nnc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)n1 ZINC000329076648 386601050 /nfs/dbraw/zinc/60/10/50/386601050.db2.gz PZSCHTWBNMERNR-HTQZYQBOSA-N 1 2 211.269 -0.445 20 0 BBADLO Cn1nnc(C[N@H+](C)[C@@H]2CCC[C@H]2O)n1 ZINC000329076648 386601045 /nfs/dbraw/zinc/60/10/45/386601045.db2.gz PZSCHTWBNMERNR-HTQZYQBOSA-N 1 2 211.269 -0.445 20 0 BBADLO C[N@@H+](CC(=O)N1CCCCC1)[C@@H]1COC[C@H]1O ZINC000329084284 386601919 /nfs/dbraw/zinc/60/19/19/386601919.db2.gz TUUVSQXAHHOCDO-GHMZBOCLSA-N 1 2 242.319 -0.310 20 0 BBADLO C[N@H+](CC(=O)N1CCCCC1)[C@@H]1COC[C@H]1O ZINC000329084284 386601916 /nfs/dbraw/zinc/60/19/16/386601916.db2.gz TUUVSQXAHHOCDO-GHMZBOCLSA-N 1 2 242.319 -0.310 20 0 BBADLO C[NH+]1CCN(C(=O)c2cnc3n[nH]nc3c2)CC1 ZINC000329142834 173072809 /nfs/dbraw/zinc/07/28/09/173072809.db2.gz LOWKBRSDGHPRTQ-UHFFFAOYSA-N 1 2 246.274 -0.260 20 0 BBADLO Cc1cnc(C[N@H+](C)[C@@H]2COC[C@H]2O)nc1 ZINC000329152414 386617576 /nfs/dbraw/zinc/61/75/76/386617576.db2.gz BGVRLTCJSAAJOS-NXEZZACHSA-N 1 2 223.276 -0.023 20 0 BBADLO Cc1cnc(C[N@@H+](C)[C@@H]2COC[C@H]2O)nc1 ZINC000329152414 386617571 /nfs/dbraw/zinc/61/75/71/386617571.db2.gz BGVRLTCJSAAJOS-NXEZZACHSA-N 1 2 223.276 -0.023 20 0 BBADLO C[N@@H+](Cc1cc(=O)c(O)co1)[C@@H]1COC[C@H]1O ZINC000329152725 386616084 /nfs/dbraw/zinc/61/60/84/386616084.db2.gz BKJWRDFDQGEVBL-PSASIEDQSA-N 1 2 241.243 -0.463 20 0 BBADLO C[N@H+](Cc1cc(=O)c(O)co1)[C@@H]1COC[C@H]1O ZINC000329152725 386616076 /nfs/dbraw/zinc/61/60/76/386616076.db2.gz BKJWRDFDQGEVBL-PSASIEDQSA-N 1 2 241.243 -0.463 20 0 BBADLO C[N@@H+](CC(=O)N1CCCC1)[C@@H]1COC[C@H]1O ZINC000329161387 386622640 /nfs/dbraw/zinc/62/26/40/386622640.db2.gz FPYAPBJIEIIUOO-NXEZZACHSA-N 1 2 228.292 -0.700 20 0 BBADLO C[N@H+](CC(=O)N1CCCC1)[C@@H]1COC[C@H]1O ZINC000329161387 386622635 /nfs/dbraw/zinc/62/26/35/386622635.db2.gz FPYAPBJIEIIUOO-NXEZZACHSA-N 1 2 228.292 -0.700 20 0 BBADLO C[N@@H+](Cc1ncccn1)[C@@H]1COC[C@H]1O ZINC000329183258 386627248 /nfs/dbraw/zinc/62/72/48/386627248.db2.gz OVTYMISOKRJTHV-RKDXNWHRSA-N 1 2 209.249 -0.332 20 0 BBADLO C[N@H+](Cc1ncccn1)[C@@H]1COC[C@H]1O ZINC000329183258 386627240 /nfs/dbraw/zinc/62/72/40/386627240.db2.gz OVTYMISOKRJTHV-RKDXNWHRSA-N 1 2 209.249 -0.332 20 0 BBADLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1COC[C@H]1O ZINC000329204033 538108726 /nfs/dbraw/zinc/10/87/26/538108726.db2.gz WOSMJYIKRIKCIC-HTQZYQBOSA-N 1 2 224.264 -0.750 20 0 BBADLO C[N@H+](Cc1nccc(N)n1)[C@@H]1COC[C@H]1O ZINC000329204033 538108725 /nfs/dbraw/zinc/10/87/25/538108725.db2.gz WOSMJYIKRIKCIC-HTQZYQBOSA-N 1 2 224.264 -0.750 20 0 BBADLO c1ncn(CC[N@H+]2CCOC[C@]23CCOC3)n1 ZINC000329230823 386640837 /nfs/dbraw/zinc/64/08/37/386640837.db2.gz KESGADLMKFICBP-LLVKDONJSA-N 1 2 238.291 -0.231 20 0 BBADLO c1ncn(CC[N@@H+]2CCOC[C@]23CCOC3)n1 ZINC000329230823 386640832 /nfs/dbraw/zinc/64/08/32/386640832.db2.gz KESGADLMKFICBP-LLVKDONJSA-N 1 2 238.291 -0.231 20 0 BBADLO c1ncn(CC[N@H+]2CCOC[C@@]23CCOC3)n1 ZINC000329230824 386642080 /nfs/dbraw/zinc/64/20/80/386642080.db2.gz KESGADLMKFICBP-NSHDSACASA-N 1 2 238.291 -0.231 20 0 BBADLO c1ncn(CC[N@@H+]2CCOC[C@@]23CCOC3)n1 ZINC000329230824 386642072 /nfs/dbraw/zinc/64/20/72/386642072.db2.gz KESGADLMKFICBP-NSHDSACASA-N 1 2 238.291 -0.231 20 0 BBADLO Cc1nc(N(C)C)nc(N2CC(=O)N(C)C2)[nH+]1 ZINC000329282847 386647074 /nfs/dbraw/zinc/64/70/74/386647074.db2.gz NCDKRGCMIBVDHB-UHFFFAOYSA-N 1 2 236.279 -0.518 20 0 BBADLO Cc1nc(N2CC(=O)N(C)C2)nc(N(C)C)[nH+]1 ZINC000329282847 386647069 /nfs/dbraw/zinc/64/70/69/386647069.db2.gz NCDKRGCMIBVDHB-UHFFFAOYSA-N 1 2 236.279 -0.518 20 0 BBADLO Cn1[nH]c(C[N@@H+](C)C[C@H]2CCCO2)nc1=O ZINC000329283041 386646062 /nfs/dbraw/zinc/64/60/62/386646062.db2.gz NFIIFXOPRQCJNH-MRVPVSSYSA-N 1 2 226.280 -0.281 20 0 BBADLO Cn1[nH]c(C[N@H+](C)C[C@H]2CCCO2)nc1=O ZINC000329283041 386646056 /nfs/dbraw/zinc/64/60/56/386646056.db2.gz NFIIFXOPRQCJNH-MRVPVSSYSA-N 1 2 226.280 -0.281 20 0 BBADLO Cn1[nH]c(C[N@@H+](C)C[C@@H]2CCCO2)nc1=O ZINC000329283043 386647253 /nfs/dbraw/zinc/64/72/53/386647253.db2.gz NFIIFXOPRQCJNH-QMMMGPOBSA-N 1 2 226.280 -0.281 20 0 BBADLO Cn1[nH]c(C[N@H+](C)C[C@@H]2CCCO2)nc1=O ZINC000329283043 386647245 /nfs/dbraw/zinc/64/72/45/386647245.db2.gz NFIIFXOPRQCJNH-QMMMGPOBSA-N 1 2 226.280 -0.281 20 0 BBADLO O=c1[nH]nc(CN2CC[N@H+]3CCC[C@@H]3C2)[nH]1 ZINC000329286812 183307771 /nfs/dbraw/zinc/30/77/71/183307771.db2.gz MFRBWERNRUBHLA-MRVPVSSYSA-N 1 2 223.280 -0.210 20 0 BBADLO O=c1[nH]nc(CN2CC[N@@H+]3CCC[C@@H]3C2)[nH]1 ZINC000329286812 183307767 /nfs/dbraw/zinc/30/77/67/183307767.db2.gz MFRBWERNRUBHLA-MRVPVSSYSA-N 1 2 223.280 -0.210 20 0 BBADLO O=c1[nH]nc(CN2CC[N@H+]3CCC[C@H]3C2)[nH]1 ZINC000329286813 183307828 /nfs/dbraw/zinc/30/78/28/183307828.db2.gz MFRBWERNRUBHLA-QMMMGPOBSA-N 1 2 223.280 -0.210 20 0 BBADLO O=c1[nH]nc(CN2CC[N@@H+]3CCC[C@H]3C2)[nH]1 ZINC000329286813 183307827 /nfs/dbraw/zinc/30/78/27/183307827.db2.gz MFRBWERNRUBHLA-QMMMGPOBSA-N 1 2 223.280 -0.210 20 0 BBADLO CN1CN(C(=O)CCc2c[nH]c[nH+]2)CC1=O ZINC000329370062 173178915 /nfs/dbraw/zinc/17/89/15/173178915.db2.gz IODIIYJWSVYVJR-UHFFFAOYSA-N 1 2 222.248 -0.400 20 0 BBADLO CN1CN(C(=O)CCc2c[nH+]c[nH]2)CC1=O ZINC000329370062 173178911 /nfs/dbraw/zinc/17/89/11/173178911.db2.gz IODIIYJWSVYVJR-UHFFFAOYSA-N 1 2 222.248 -0.400 20 0 BBADLO CN(C(=O)CCc1[nH]cc[nH+]1)[C@@H]1COC[C@H]1O ZINC000329373989 386658887 /nfs/dbraw/zinc/65/88/87/386658887.db2.gz KXEAOCSWRGAFEI-RKDXNWHRSA-N 1 2 239.275 -0.440 20 0 BBADLO CN1CN(C(=O)CCc2[nH]cc[nH+]2)CC1=O ZINC000329389436 173178128 /nfs/dbraw/zinc/17/81/28/173178128.db2.gz RVHQOIMIPQKXKJ-UHFFFAOYSA-N 1 2 222.248 -0.400 20 0 BBADLO CN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1COC[C@H]1O ZINC000329399284 172306893 /nfs/dbraw/zinc/30/68/93/172306893.db2.gz VMFSYCSHWGUHDB-NXEZZACHSA-N 1 2 239.275 -0.440 20 0 BBADLO CN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1COC[C@H]1O ZINC000329399284 172306892 /nfs/dbraw/zinc/30/68/92/172306892.db2.gz VMFSYCSHWGUHDB-NXEZZACHSA-N 1 2 239.275 -0.440 20 0 BBADLO C[N@@H+](Cc1nnnn1C1CC1)C1CC(O)C1 ZINC000329450942 386675689 /nfs/dbraw/zinc/67/56/89/386675689.db2.gz DPSHHSBXPFNLQQ-UHFFFAOYSA-N 1 2 223.280 -0.037 20 0 BBADLO C[N@H+](Cc1nnnn1C1CC1)C1CC(O)C1 ZINC000329450942 386675685 /nfs/dbraw/zinc/67/56/85/386675685.db2.gz DPSHHSBXPFNLQQ-UHFFFAOYSA-N 1 2 223.280 -0.037 20 0 BBADLO Cn1c[nH+]cc1CNS(=O)(=O)C1COC1 ZINC000329462333 386678627 /nfs/dbraw/zinc/67/86/27/386678627.db2.gz SVDHQABWEJESMR-UHFFFAOYSA-N 1 2 231.277 -0.762 20 0 BBADLO Cn1nnnc1C[N@H+]1CCOCC2(CC2)C1 ZINC000329479582 386680692 /nfs/dbraw/zinc/68/06/92/386680692.db2.gz VHCVCKFMCSHQML-UHFFFAOYSA-N 1 2 223.280 -0.178 20 0 BBADLO Cn1nnnc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000329479582 386680687 /nfs/dbraw/zinc/68/06/87/386680687.db2.gz VHCVCKFMCSHQML-UHFFFAOYSA-N 1 2 223.280 -0.178 20 0 BBADLO O=C(CO)N1CC[NH+](CCOC2CCC2)CC1 ZINC000329481487 386686491 /nfs/dbraw/zinc/68/64/91/386686491.db2.gz PPFBNAYTZYKHNT-UHFFFAOYSA-N 1 2 242.319 -0.308 20 0 BBADLO CCN1CN(C(=O)CCc2c[nH]c[nH+]2)CC1=O ZINC000329521446 170025528 /nfs/dbraw/zinc/02/55/28/170025528.db2.gz QUQAIEKCGNRIEH-UHFFFAOYSA-N 1 2 236.275 -0.010 20 0 BBADLO CCN1CN(C(=O)CCc2c[nH+]c[nH]2)CC1=O ZINC000329521446 170025526 /nfs/dbraw/zinc/02/55/26/170025526.db2.gz QUQAIEKCGNRIEH-UHFFFAOYSA-N 1 2 236.275 -0.010 20 0 BBADLO CCN1CN(C(=O)CCc2[nH]cc[nH+]2)CC1=O ZINC000329530269 170025344 /nfs/dbraw/zinc/02/53/44/170025344.db2.gz VPOQPEQVIJCMTQ-UHFFFAOYSA-N 1 2 236.275 -0.010 20 0 BBADLO Cn1cc[nH+]c1CN1CCN2C(=O)N=NC2C1 ZINC000329571054 386710785 /nfs/dbraw/zinc/71/07/85/386710785.db2.gz MOXTYDRGDSLTLD-UHFFFAOYSA-N 1 2 234.263 -0.267 20 0 BBADLO Cn1[nH]c(C[N@H+]2CCSC[C@H]2CO)nc1=O ZINC000329586601 386709287 /nfs/dbraw/zinc/70/92/87/386709287.db2.gz MNNKDQYGSVMAEW-SSDOTTSWSA-N 1 2 244.320 -0.982 20 0 BBADLO Cn1[nH]c(C[N@@H+]2CCSC[C@H]2CO)nc1=O ZINC000329586601 386709277 /nfs/dbraw/zinc/70/92/77/386709277.db2.gz MNNKDQYGSVMAEW-SSDOTTSWSA-N 1 2 244.320 -0.982 20 0 BBADLO Cn1[nH]c(C[N@H+]2CCSC[C@@H]2CO)nc1=O ZINC000329586602 386935800 /nfs/dbraw/zinc/93/58/00/386935800.db2.gz MNNKDQYGSVMAEW-ZETCQYMHSA-N 1 2 244.320 -0.982 20 0 BBADLO Cn1[nH]c(C[N@@H+]2CCSC[C@@H]2CO)nc1=O ZINC000329586602 386935798 /nfs/dbraw/zinc/93/57/98/386935798.db2.gz MNNKDQYGSVMAEW-ZETCQYMHSA-N 1 2 244.320 -0.982 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)CCCO1 ZINC000329620768 176312143 /nfs/dbraw/zinc/31/21/43/176312143.db2.gz UGZNKDMSJSHTNO-MRVPVSSYSA-N 1 2 226.280 -0.281 20 0 BBADLO C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)CCCO1 ZINC000329620768 176312141 /nfs/dbraw/zinc/31/21/41/176312141.db2.gz UGZNKDMSJSHTNO-MRVPVSSYSA-N 1 2 226.280 -0.281 20 0 BBADLO C[C@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)CCCO1 ZINC000329620769 177270365 /nfs/dbraw/zinc/27/03/65/177270365.db2.gz UGZNKDMSJSHTNO-QMMMGPOBSA-N 1 2 226.280 -0.281 20 0 BBADLO C[C@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)CCCO1 ZINC000329620769 177270364 /nfs/dbraw/zinc/27/03/64/177270364.db2.gz UGZNKDMSJSHTNO-QMMMGPOBSA-N 1 2 226.280 -0.281 20 0 BBADLO O=C(Cn1cc[nH+]c1)N1CC(=O)N(C2CC2)C1 ZINC000329642261 182070724 /nfs/dbraw/zinc/07/07/24/182070724.db2.gz YGMVBDSYGCPJQC-UHFFFAOYSA-N 1 2 234.259 -0.326 20 0 BBADLO CCN1CC[N@@H+](CCN2CCNC2=O)CC1=O ZINC000329656883 355981014 /nfs/dbraw/zinc/98/10/14/355981014.db2.gz MWQDEFGFBZWFIX-UHFFFAOYSA-N 1 2 240.307 -0.620 20 0 BBADLO CCN1CC[N@H+](CCN2CCNC2=O)CC1=O ZINC000329656883 355981007 /nfs/dbraw/zinc/98/10/07/355981007.db2.gz MWQDEFGFBZWFIX-UHFFFAOYSA-N 1 2 240.307 -0.620 20 0 BBADLO O=c1[nH]nc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)[nH]1 ZINC000329673554 183306993 /nfs/dbraw/zinc/30/69/93/183306993.db2.gz UZXVRLVVLYVKLC-BIIVOSGPSA-N 1 2 224.264 -0.287 20 0 BBADLO O=c1[nH]nc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)[nH]1 ZINC000329673554 183306990 /nfs/dbraw/zinc/30/69/90/183306990.db2.gz UZXVRLVVLYVKLC-BIIVOSGPSA-N 1 2 224.264 -0.287 20 0 BBADLO O=c1[nH]nc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)[nH]1 ZINC000329673555 183306893 /nfs/dbraw/zinc/30/68/93/183306893.db2.gz UZXVRLVVLYVKLC-FXQIFTODSA-N 1 2 224.264 -0.287 20 0 BBADLO O=c1[nH]nc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)[nH]1 ZINC000329673555 183306890 /nfs/dbraw/zinc/30/68/90/183306890.db2.gz UZXVRLVVLYVKLC-FXQIFTODSA-N 1 2 224.264 -0.287 20 0 BBADLO O=c1[nH]nc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)[nH]1 ZINC000329673556 183307474 /nfs/dbraw/zinc/30/74/74/183307474.db2.gz UZXVRLVVLYVKLC-RNJXMRFFSA-N 1 2 224.264 -0.287 20 0 BBADLO O=c1[nH]nc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)[nH]1 ZINC000329673556 183307472 /nfs/dbraw/zinc/30/74/72/183307472.db2.gz UZXVRLVVLYVKLC-RNJXMRFFSA-N 1 2 224.264 -0.287 20 0 BBADLO O=c1[nH]nc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)[nH]1 ZINC000329673557 183306153 /nfs/dbraw/zinc/30/61/53/183306153.db2.gz UZXVRLVVLYVKLC-XLPZGREQSA-N 1 2 224.264 -0.287 20 0 BBADLO O=c1[nH]nc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)[nH]1 ZINC000329673557 183306151 /nfs/dbraw/zinc/30/61/51/183306151.db2.gz UZXVRLVVLYVKLC-XLPZGREQSA-N 1 2 224.264 -0.287 20 0 BBADLO C[C@H]1COCC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC000329674039 177289339 /nfs/dbraw/zinc/28/93/39/177289339.db2.gz OJELQELTIJUCQL-MRVPVSSYSA-N 1 2 226.280 -0.423 20 0 BBADLO C[C@H]1COCC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC000329674039 177289338 /nfs/dbraw/zinc/28/93/38/177289338.db2.gz OJELQELTIJUCQL-MRVPVSSYSA-N 1 2 226.280 -0.423 20 0 BBADLO C[C@@H]1COCC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC000329674040 176332864 /nfs/dbraw/zinc/33/28/64/176332864.db2.gz OJELQELTIJUCQL-QMMMGPOBSA-N 1 2 226.280 -0.423 20 0 BBADLO C[C@@H]1COCC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC000329674040 176332862 /nfs/dbraw/zinc/33/28/62/176332862.db2.gz OJELQELTIJUCQL-QMMMGPOBSA-N 1 2 226.280 -0.423 20 0 BBADLO Cn1[nH]c(C[N@H+]2CCOCC3(CC3)C2)nc1=O ZINC000329687894 386782234 /nfs/dbraw/zinc/78/22/34/386782234.db2.gz VISLLSVGVKMHNP-UHFFFAOYSA-N 1 2 238.291 -0.279 20 0 BBADLO Cn1[nH]c(C[N@@H+]2CCOCC3(CC3)C2)nc1=O ZINC000329687894 386782230 /nfs/dbraw/zinc/78/22/30/386782230.db2.gz VISLLSVGVKMHNP-UHFFFAOYSA-N 1 2 238.291 -0.279 20 0 BBADLO C[N@H+]1CCc2ncnc(N3CCOCCN3)c2C1 ZINC000329692820 173174275 /nfs/dbraw/zinc/17/42/75/173174275.db2.gz ATGLSIVFRDAKCZ-UHFFFAOYSA-N 1 2 249.318 -0.194 20 0 BBADLO C[N@@H+]1CCc2ncnc(N3CCOCCN3)c2C1 ZINC000329692820 173174272 /nfs/dbraw/zinc/17/42/72/173174272.db2.gz ATGLSIVFRDAKCZ-UHFFFAOYSA-N 1 2 249.318 -0.194 20 0 BBADLO CN1CN(c2ncnc3c2C[N@@H+](C)CC3)CC1=O ZINC000329715615 173174920 /nfs/dbraw/zinc/17/49/20/173174920.db2.gz VFUAZOFYYNGXCU-UHFFFAOYSA-N 1 2 247.302 -0.300 20 0 BBADLO CN1CN(c2ncnc3c2C[N@H+](C)CC3)CC1=O ZINC000329715615 173174918 /nfs/dbraw/zinc/17/49/18/173174918.db2.gz VFUAZOFYYNGXCU-UHFFFAOYSA-N 1 2 247.302 -0.300 20 0 BBADLO CCc1[nH+]ccn1Cc1nc(=O)n(C)[nH]1 ZINC000329725545 172027359 /nfs/dbraw/zinc/02/73/59/172027359.db2.gz BYLJVWOFMVNDMN-UHFFFAOYSA-N 1 2 207.237 -0.084 20 0 BBADLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)C1CC1 ZINC000329748716 173077773 /nfs/dbraw/zinc/07/77/73/173077773.db2.gz TWSIHWRFRJCBEV-SECBINFHSA-N 1 2 247.364 -0.686 20 0 BBADLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)C1CC1 ZINC000329748716 173077771 /nfs/dbraw/zinc/07/77/71/173077771.db2.gz TWSIHWRFRJCBEV-SECBINFHSA-N 1 2 247.364 -0.686 20 0 BBADLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)C1CC1 ZINC000329748722 173077642 /nfs/dbraw/zinc/07/76/42/173077642.db2.gz TWSIHWRFRJCBEV-VIFPVBQESA-N 1 2 247.364 -0.686 20 0 BBADLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)C1CC1 ZINC000329748722 173077639 /nfs/dbraw/zinc/07/76/39/173077639.db2.gz TWSIHWRFRJCBEV-VIFPVBQESA-N 1 2 247.364 -0.686 20 0 BBADLO C[C@@H](O)C[C@@H]1COCC[N@H+]1CC(=O)N1CCC1 ZINC000329802275 386805073 /nfs/dbraw/zinc/80/50/73/386805073.db2.gz JDGBOSLZGGWFRK-GHMZBOCLSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1CC(=O)N1CCC1 ZINC000329802275 386805065 /nfs/dbraw/zinc/80/50/65/386805065.db2.gz JDGBOSLZGGWFRK-GHMZBOCLSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@@H](O)C[C@H]1COCC[N@H+]1CC(=O)N1CCC1 ZINC000329802279 386805391 /nfs/dbraw/zinc/80/53/91/386805391.db2.gz JDGBOSLZGGWFRK-MNOVXSKESA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@@H](O)C[C@H]1COCC[N@@H+]1CC(=O)N1CCC1 ZINC000329802279 386805386 /nfs/dbraw/zinc/80/53/86/386805386.db2.gz JDGBOSLZGGWFRK-MNOVXSKESA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H](O)C[C@H]1COCC[N@H+]1CC(=O)N1CCC1 ZINC000329802281 177002388 /nfs/dbraw/zinc/00/23/88/177002388.db2.gz JDGBOSLZGGWFRK-QWRGUYRKSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H](O)C[C@H]1COCC[N@@H+]1CC(=O)N1CCC1 ZINC000329802281 177002386 /nfs/dbraw/zinc/00/23/86/177002386.db2.gz JDGBOSLZGGWFRK-QWRGUYRKSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H](O)C[C@@H]1COCC[N@H+]1CC(=O)N1CCC1 ZINC000329802284 386806826 /nfs/dbraw/zinc/80/68/26/386806826.db2.gz JDGBOSLZGGWFRK-WDEREUQCSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H](O)C[C@@H]1COCC[N@@H+]1CC(=O)N1CCC1 ZINC000329802284 386806823 /nfs/dbraw/zinc/80/68/23/386806823.db2.gz JDGBOSLZGGWFRK-WDEREUQCSA-N 1 2 242.319 -0.310 20 0 BBADLO C[N@H+]1CCO[C@@H]2CN(Cc3nccc(N)n3)C[C@H]21 ZINC000329863611 411895573 /nfs/dbraw/zinc/89/55/73/411895573.db2.gz ZFZFCDSLZYPEJY-NXEZZACHSA-N 1 2 249.318 -0.426 20 0 BBADLO C[N@@H+]1CCO[C@@H]2CN(Cc3nccc(N)n3)C[C@H]21 ZINC000329863611 411895565 /nfs/dbraw/zinc/89/55/65/411895565.db2.gz ZFZFCDSLZYPEJY-NXEZZACHSA-N 1 2 249.318 -0.426 20 0 BBADLO C[N@H+]1CCO[C@H]2CN(Cc3nccc(N)n3)C[C@H]21 ZINC000329863612 411895722 /nfs/dbraw/zinc/89/57/22/411895722.db2.gz ZFZFCDSLZYPEJY-ZJUUUORDSA-N 1 2 249.318 -0.426 20 0 BBADLO C[N@@H+]1CCO[C@H]2CN(Cc3nccc(N)n3)C[C@H]21 ZINC000329863612 411895719 /nfs/dbraw/zinc/89/57/19/411895719.db2.gz ZFZFCDSLZYPEJY-ZJUUUORDSA-N 1 2 249.318 -0.426 20 0 BBADLO Cn1nncc1C[N@H+]1CCSC[C@H]1CO ZINC000329864477 538110109 /nfs/dbraw/zinc/11/01/09/538110109.db2.gz ZRNQSGKRXAKYNA-SECBINFHSA-N 1 2 228.321 -0.275 20 0 BBADLO Cn1nncc1C[N@@H+]1CCSC[C@H]1CO ZINC000329864477 538110108 /nfs/dbraw/zinc/11/01/08/538110108.db2.gz ZRNQSGKRXAKYNA-SECBINFHSA-N 1 2 228.321 -0.275 20 0 BBADLO Cn1nncc1C[N@H+]1CCSC[C@@H]1CO ZINC000329864478 538110128 /nfs/dbraw/zinc/11/01/28/538110128.db2.gz ZRNQSGKRXAKYNA-VIFPVBQESA-N 1 2 228.321 -0.275 20 0 BBADLO Cn1nncc1C[N@@H+]1CCSC[C@@H]1CO ZINC000329864478 538110127 /nfs/dbraw/zinc/11/01/27/538110127.db2.gz ZRNQSGKRXAKYNA-VIFPVBQESA-N 1 2 228.321 -0.275 20 0 BBADLO CC(C)(C(=O)N1CC(CO)C1)[NH+]1CCOCC1 ZINC000329913639 356143277 /nfs/dbraw/zinc/14/32/77/356143277.db2.gz XNVDNQVGMFXSOV-UHFFFAOYSA-N 1 2 242.319 -0.452 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H](C(N)=O)O1 ZINC000329917615 356144529 /nfs/dbraw/zinc/14/45/29/356144529.db2.gz QXJVMMLOOBYGDK-BDAKNGLRSA-N 1 2 241.291 -0.157 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H](C(N)=O)O1 ZINC000329917615 356144525 /nfs/dbraw/zinc/14/45/25/356144525.db2.gz QXJVMMLOOBYGDK-BDAKNGLRSA-N 1 2 241.291 -0.157 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H](C(N)=O)O1 ZINC000329917617 356144505 /nfs/dbraw/zinc/14/45/05/356144505.db2.gz QXJVMMLOOBYGDK-RKDXNWHRSA-N 1 2 241.291 -0.157 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H](C(N)=O)O1 ZINC000329917617 356144501 /nfs/dbraw/zinc/14/45/01/356144501.db2.gz QXJVMMLOOBYGDK-RKDXNWHRSA-N 1 2 241.291 -0.157 20 0 BBADLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@H]21 ZINC000329926399 173105602 /nfs/dbraw/zinc/10/56/02/173105602.db2.gz KQHFXUFMFGPPAK-NXEZZACHSA-N 1 2 236.275 -0.435 20 0 BBADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@H]21 ZINC000329926399 173105599 /nfs/dbraw/zinc/10/55/99/173105599.db2.gz KQHFXUFMFGPPAK-NXEZZACHSA-N 1 2 236.275 -0.435 20 0 BBADLO C[N@H+]1CCO[C@H]2CN(C(=O)c3cn[nH]c3)C[C@@H]21 ZINC000329926400 187364572 /nfs/dbraw/zinc/36/45/72/187364572.db2.gz KQHFXUFMFGPPAK-UWVGGRQHSA-N 1 2 236.275 -0.435 20 0 BBADLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cn[nH]c3)C[C@@H]21 ZINC000329926400 187364570 /nfs/dbraw/zinc/36/45/70/187364570.db2.gz KQHFXUFMFGPPAK-UWVGGRQHSA-N 1 2 236.275 -0.435 20 0 BBADLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@@H]21 ZINC000329926401 173103866 /nfs/dbraw/zinc/10/38/66/173103866.db2.gz KQHFXUFMFGPPAK-VHSXEESVSA-N 1 2 236.275 -0.435 20 0 BBADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@@H]21 ZINC000329926401 173103863 /nfs/dbraw/zinc/10/38/63/173103863.db2.gz KQHFXUFMFGPPAK-VHSXEESVSA-N 1 2 236.275 -0.435 20 0 BBADLO C[N@H+]1CCO[C@H]2CN(C(=O)c3cn[nH]c3)C[C@H]21 ZINC000329926402 188225911 /nfs/dbraw/zinc/22/59/11/188225911.db2.gz KQHFXUFMFGPPAK-ZJUUUORDSA-N 1 2 236.275 -0.435 20 0 BBADLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cn[nH]c3)C[C@H]21 ZINC000329926402 188225909 /nfs/dbraw/zinc/22/59/09/188225909.db2.gz KQHFXUFMFGPPAK-ZJUUUORDSA-N 1 2 236.275 -0.435 20 0 BBADLO Cn1c[nH+]cc1CN1CCN2C(=O)N=NC2C1 ZINC000329985728 386957278 /nfs/dbraw/zinc/95/72/78/386957278.db2.gz DOFBVVGCPUVOPS-UHFFFAOYSA-N 1 2 234.263 -0.267 20 0 BBADLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cc[nH]n3)C[C@H]21 ZINC000329989184 173104826 /nfs/dbraw/zinc/10/48/26/173104826.db2.gz UXGAFVPVWUCOPW-NXEZZACHSA-N 1 2 236.275 -0.435 20 0 BBADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cc[nH]n3)C[C@H]21 ZINC000329989184 173104824 /nfs/dbraw/zinc/10/48/24/173104824.db2.gz UXGAFVPVWUCOPW-NXEZZACHSA-N 1 2 236.275 -0.435 20 0 BBADLO C[N@H+]1CCO[C@H]2CN(C(=O)c3cc[nH]n3)C[C@H]21 ZINC000329989185 386818426 /nfs/dbraw/zinc/81/84/26/386818426.db2.gz UXGAFVPVWUCOPW-ZJUUUORDSA-N 1 2 236.275 -0.435 20 0 BBADLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cc[nH]n3)C[C@H]21 ZINC000329989185 386818419 /nfs/dbraw/zinc/81/84/19/386818419.db2.gz UXGAFVPVWUCOPW-ZJUUUORDSA-N 1 2 236.275 -0.435 20 0 BBADLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccon3)C[C@H]21 ZINC000329989725 173105354 /nfs/dbraw/zinc/10/53/54/173105354.db2.gz VNMFZICDJIJQAH-NXEZZACHSA-N 1 2 237.259 -0.170 20 0 BBADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccon3)C[C@H]21 ZINC000329989725 173105351 /nfs/dbraw/zinc/10/53/51/173105351.db2.gz VNMFZICDJIJQAH-NXEZZACHSA-N 1 2 237.259 -0.170 20 0 BBADLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccon3)C[C@H]21 ZINC000329989726 386820575 /nfs/dbraw/zinc/82/05/75/386820575.db2.gz VNMFZICDJIJQAH-ZJUUUORDSA-N 1 2 237.259 -0.170 20 0 BBADLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccon3)C[C@H]21 ZINC000329989726 386820572 /nfs/dbraw/zinc/82/05/72/386820572.db2.gz VNMFZICDJIJQAH-ZJUUUORDSA-N 1 2 237.259 -0.170 20 0 BBADLO O=c1[nH]nc2n1CC[N@H+](CC1(O)CCC1)C2 ZINC000329997343 386822517 /nfs/dbraw/zinc/82/25/17/386822517.db2.gz QKBCMCCAPXQTGG-UHFFFAOYSA-N 1 2 224.264 -0.286 20 0 BBADLO O=c1[nH]nc2n1CC[N@@H+](CC1(O)CCC1)C2 ZINC000329997343 386822509 /nfs/dbraw/zinc/82/25/09/386822509.db2.gz QKBCMCCAPXQTGG-UHFFFAOYSA-N 1 2 224.264 -0.286 20 0 BBADLO O=c1[nH]nc2n1CC[N@H+](C[C@H]1CCOC1)C2 ZINC000329999175 183310207 /nfs/dbraw/zinc/31/02/07/183310207.db2.gz UHFDCJURIDJVBF-MRVPVSSYSA-N 1 2 224.264 -0.164 20 0 BBADLO O=c1[nH]nc2n1CC[N@@H+](C[C@H]1CCOC1)C2 ZINC000329999175 183310206 /nfs/dbraw/zinc/31/02/06/183310206.db2.gz UHFDCJURIDJVBF-MRVPVSSYSA-N 1 2 224.264 -0.164 20 0 BBADLO O=C1N=NC2C[N@@H+](C[C@H]3CCOC3)CCN12 ZINC000329999175 183310204 /nfs/dbraw/zinc/31/02/04/183310204.db2.gz UHFDCJURIDJVBF-MRVPVSSYSA-N 1 2 224.264 -0.164 20 0 BBADLO O=C1N=NC2C[N@H+](C[C@H]3CCOC3)CCN12 ZINC000329999175 183310202 /nfs/dbraw/zinc/31/02/02/183310202.db2.gz UHFDCJURIDJVBF-MRVPVSSYSA-N 1 2 224.264 -0.164 20 0 BBADLO O=c1[nH]nc2n1CC[N@H+](C[C@@H]1CCOC1)C2 ZINC000329999176 183310001 /nfs/dbraw/zinc/31/00/01/183310001.db2.gz UHFDCJURIDJVBF-QMMMGPOBSA-N 1 2 224.264 -0.164 20 0 BBADLO O=c1[nH]nc2n1CC[N@@H+](C[C@@H]1CCOC1)C2 ZINC000329999176 183309999 /nfs/dbraw/zinc/30/99/99/183309999.db2.gz UHFDCJURIDJVBF-QMMMGPOBSA-N 1 2 224.264 -0.164 20 0 BBADLO O=C1N=NC2C[N@@H+](C[C@@H]3CCOC3)CCN12 ZINC000329999176 183309997 /nfs/dbraw/zinc/30/99/97/183309997.db2.gz UHFDCJURIDJVBF-QMMMGPOBSA-N 1 2 224.264 -0.164 20 0 BBADLO O=C1N=NC2C[N@H+](C[C@@H]3CCOC3)CCN12 ZINC000329999176 183309995 /nfs/dbraw/zinc/30/99/95/183309995.db2.gz UHFDCJURIDJVBF-QMMMGPOBSA-N 1 2 224.264 -0.164 20 0 BBADLO O=c1[nH]nc2n1CCN(CCn1cc[nH+]c1)C2 ZINC000330035330 183310188 /nfs/dbraw/zinc/31/01/88/183310188.db2.gz XGUYJVWSDQBUKV-UHFFFAOYSA-N 1 2 234.263 -0.304 20 0 BBADLO O=C1N=NC2CN(CCn3cc[nH+]c3)CCN12 ZINC000330035330 183310186 /nfs/dbraw/zinc/31/01/86/183310186.db2.gz XGUYJVWSDQBUKV-UHFFFAOYSA-N 1 2 234.263 -0.304 20 0 BBADLO c1nnc2cncc(NCC[NH+]3CCOCC3)n12 ZINC000330049875 386824953 /nfs/dbraw/zinc/82/49/53/386824953.db2.gz LDOUQKRRUHRYFV-UHFFFAOYSA-N 1 2 248.290 -0.132 20 0 BBADLO C[C@@H](C(=O)N1CC(CO)C1)[NH+]1CCOCC1 ZINC000330063912 386825147 /nfs/dbraw/zinc/82/51/47/386825147.db2.gz QLQSJPVIDGOHLY-VIFPVBQESA-N 1 2 228.292 -0.842 20 0 BBADLO CCN1CN(C(=O)CCn2cc[nH+]c2)CC1=O ZINC000330092129 170024947 /nfs/dbraw/zinc/02/49/47/170024947.db2.gz YICXMQBTNMFGLE-UHFFFAOYSA-N 1 2 236.275 -0.079 20 0 BBADLO C[N@H+]1CCO[C@@H]2CN(C(=O)C3(O)CCC3)C[C@H]21 ZINC000330094864 173105873 /nfs/dbraw/zinc/10/58/73/173105873.db2.gz UJXBPWCCMUBEFF-NXEZZACHSA-N 1 2 240.303 -0.557 20 0 BBADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)C3(O)CCC3)C[C@H]21 ZINC000330094864 173105871 /nfs/dbraw/zinc/10/58/71/173105871.db2.gz UJXBPWCCMUBEFF-NXEZZACHSA-N 1 2 240.303 -0.557 20 0 BBADLO C[N@H+]1CCO[C@H]2CN(C(=O)C3(O)CCC3)C[C@@H]21 ZINC000330094865 187364242 /nfs/dbraw/zinc/36/42/42/187364242.db2.gz UJXBPWCCMUBEFF-UWVGGRQHSA-N 1 2 240.303 -0.557 20 0 BBADLO C[N@@H+]1CCO[C@H]2CN(C(=O)C3(O)CCC3)C[C@@H]21 ZINC000330094865 187364241 /nfs/dbraw/zinc/36/42/41/187364241.db2.gz UJXBPWCCMUBEFF-UWVGGRQHSA-N 1 2 240.303 -0.557 20 0 BBADLO C[N@H+]1CCO[C@@H]2CN(C(=O)C3(O)CCC3)C[C@@H]21 ZINC000330094866 173105696 /nfs/dbraw/zinc/10/56/96/173105696.db2.gz UJXBPWCCMUBEFF-VHSXEESVSA-N 1 2 240.303 -0.557 20 0 BBADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)C3(O)CCC3)C[C@@H]21 ZINC000330094866 173105694 /nfs/dbraw/zinc/10/56/94/173105694.db2.gz UJXBPWCCMUBEFF-VHSXEESVSA-N 1 2 240.303 -0.557 20 0 BBADLO C[N@H+]1CCO[C@H]2CN(C(=O)C3(O)CCC3)C[C@H]21 ZINC000330094867 541366460 /nfs/dbraw/zinc/36/64/60/541366460.db2.gz UJXBPWCCMUBEFF-ZJUUUORDSA-N 1 2 240.303 -0.557 20 0 BBADLO C[N@@H+]1CCO[C@H]2CN(C(=O)C3(O)CCC3)C[C@H]21 ZINC000330094867 541366453 /nfs/dbraw/zinc/36/64/53/541366453.db2.gz UJXBPWCCMUBEFF-ZJUUUORDSA-N 1 2 240.303 -0.557 20 0 BBADLO Cn1c[nH+]cc1CN1CC(N2CCNC2=O)C1 ZINC000330098336 187364422 /nfs/dbraw/zinc/36/44/22/187364422.db2.gz BSJVUWJJKPUAAO-UHFFFAOYSA-N 1 2 235.291 -0.166 20 0 BBADLO Cn1cc(C[NH+]2CC(N3CCNC3=O)C2)cn1 ZINC000330103722 386827191 /nfs/dbraw/zinc/82/71/91/386827191.db2.gz HBMDPRAAJOFISE-UHFFFAOYSA-N 1 2 235.291 -0.166 20 0 BBADLO Cn1ncc2c1nc(N[C@H]1CNC(=O)C1)[nH+]c2N ZINC000330115474 538117000 /nfs/dbraw/zinc/11/70/00/538117000.db2.gz FQSTZAPASIJURE-RXMQYKEDSA-N 1 2 247.262 0.086 20 0 BBADLO Cn1ncc2c1nc(N[C@@H]1CNC(=O)C1)[nH+]c2N ZINC000330115475 538117019 /nfs/dbraw/zinc/11/70/19/538117019.db2.gz FQSTZAPASIJURE-YFKPBYRVSA-N 1 2 247.262 0.086 20 0 BBADLO COCC1=CC[N@@H+](Cc2nnnn2C)CC1 ZINC000330132076 174117377 /nfs/dbraw/zinc/11/73/77/174117377.db2.gz FXOYJFNGEKWENN-UHFFFAOYSA-N 1 2 223.280 -0.011 20 0 BBADLO COCC1=CC[N@H+](Cc2nnnn2C)CC1 ZINC000330132076 174117373 /nfs/dbraw/zinc/11/73/73/174117373.db2.gz FXOYJFNGEKWENN-UHFFFAOYSA-N 1 2 223.280 -0.011 20 0 BBADLO Cn1nnnc1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000330173667 386833201 /nfs/dbraw/zinc/83/32/01/386833201.db2.gz YRBWLBQOAMALDI-QMMMGPOBSA-N 1 2 211.269 -0.179 20 0 BBADLO Cn1nnnc1C[N@H+](C)C[C@@H]1CCCO1 ZINC000330173667 386833190 /nfs/dbraw/zinc/83/31/90/386833190.db2.gz YRBWLBQOAMALDI-QMMMGPOBSA-N 1 2 211.269 -0.179 20 0 BBADLO Nc1cc(CN2CCN3C(=O)N=NC3C2)cc[nH+]1 ZINC000330175926 411939177 /nfs/dbraw/zinc/93/91/77/411939177.db2.gz BXIFGHMCVUQWOT-UHFFFAOYSA-N 1 2 246.274 -0.023 20 0 BBADLO Cn1cc[nH+]c1CNS(=O)(=O)C1COC1 ZINC000330204915 386461499 /nfs/dbraw/zinc/46/14/99/386461499.db2.gz DAFBSKWKDAUKRI-UHFFFAOYSA-N 1 2 231.277 -0.762 20 0 BBADLO CN(Cc1[nH+]ccn1C)S(=O)(=O)C1COC1 ZINC000330220414 386841261 /nfs/dbraw/zinc/84/12/61/386841261.db2.gz QFODAIYUYWHKSC-UHFFFAOYSA-N 1 2 245.304 -0.420 20 0 BBADLO O=S(=O)(C1COC1)N1CCn2cc[nH+]c2C1 ZINC000330233658 386841160 /nfs/dbraw/zinc/84/11/60/386841160.db2.gz XZGKASGQOCXCCY-UHFFFAOYSA-N 1 2 243.288 -0.573 20 0 BBADLO O=C(N1CCn2c[nH+]cc2C1)C1(CO)COC1 ZINC000330248700 182083251 /nfs/dbraw/zinc/08/32/51/182083251.db2.gz ZKTBNZDUDMBLRH-UHFFFAOYSA-N 1 2 237.259 -0.766 20 0 BBADLO O=C(C[N@H+]1CCN2C(=O)NC[C@@H]2C1)N1CCC1 ZINC000330274353 386844107 /nfs/dbraw/zinc/84/41/07/386844107.db2.gz JYLYMRPUGVCAAI-SECBINFHSA-N 1 2 238.291 -0.868 20 0 BBADLO O=C(C[N@@H+]1CCN2C(=O)NC[C@@H]2C1)N1CCC1 ZINC000330274353 386844105 /nfs/dbraw/zinc/84/41/05/386844105.db2.gz JYLYMRPUGVCAAI-SECBINFHSA-N 1 2 238.291 -0.868 20 0 BBADLO O=C(C[N@H+]1CCN2C(=O)NC[C@H]2C1)N1CCC1 ZINC000330274354 386844051 /nfs/dbraw/zinc/84/40/51/386844051.db2.gz JYLYMRPUGVCAAI-VIFPVBQESA-N 1 2 238.291 -0.868 20 0 BBADLO O=C(C[N@@H+]1CCN2C(=O)NC[C@H]2C1)N1CCC1 ZINC000330274354 386844048 /nfs/dbraw/zinc/84/40/48/386844048.db2.gz JYLYMRPUGVCAAI-VIFPVBQESA-N 1 2 238.291 -0.868 20 0 BBADLO C[C@@H]1C[NH2+]CCN1Cc1cc(=O)n2[nH]ccc2n1 ZINC000330362985 365086536 /nfs/dbraw/zinc/08/65/36/365086536.db2.gz ONAPGFUTKUNYAG-SECBINFHSA-N 1 2 247.302 -0.184 20 0 BBADLO C[C@H]1C[NH2+]CCN1Cc1cc(=O)n2[nH]ccc2n1 ZINC000330362986 365086331 /nfs/dbraw/zinc/08/63/31/365086331.db2.gz ONAPGFUTKUNYAG-VIFPVBQESA-N 1 2 247.302 -0.184 20 0 BBADLO COC[C@@H]1C[N@@H+](CCn2cncn2)CCO1 ZINC000330363404 387003347 /nfs/dbraw/zinc/00/33/47/387003347.db2.gz BOEPCKGTGVAGHO-JTQLQIEISA-N 1 2 226.280 -0.375 20 0 BBADLO COC[C@@H]1C[N@H+](CCn2cncn2)CCO1 ZINC000330363404 387003344 /nfs/dbraw/zinc/00/33/44/387003344.db2.gz BOEPCKGTGVAGHO-JTQLQIEISA-N 1 2 226.280 -0.375 20 0 BBADLO COC[C@H]1C[N@@H+](CCn2cncn2)CCO1 ZINC000330363405 386674530 /nfs/dbraw/zinc/67/45/30/386674530.db2.gz BOEPCKGTGVAGHO-SNVBAGLBSA-N 1 2 226.280 -0.375 20 0 BBADLO COC[C@H]1C[N@H+](CCn2cncn2)CCO1 ZINC000330363405 386674527 /nfs/dbraw/zinc/67/45/27/386674527.db2.gz BOEPCKGTGVAGHO-SNVBAGLBSA-N 1 2 226.280 -0.375 20 0 BBADLO OCC[NH+]1CCN(Cc2cnns2)CC1 ZINC000330363702 183074541 /nfs/dbraw/zinc/07/45/41/183074541.db2.gz PTDURUMJYLMLSL-UHFFFAOYSA-N 1 2 228.321 -0.352 20 0 BBADLO CNS(=O)(=O)CCC[N@@H+](C)Cc1cc[nH]n1 ZINC000330363759 386674328 /nfs/dbraw/zinc/67/43/28/386674328.db2.gz RRRNZKPXQLBHCK-UHFFFAOYSA-N 1 2 246.336 -0.219 20 0 BBADLO CNS(=O)(=O)CCC[N@H+](C)Cc1cc[nH]n1 ZINC000330363759 386674324 /nfs/dbraw/zinc/67/43/24/386674324.db2.gz RRRNZKPXQLBHCK-UHFFFAOYSA-N 1 2 246.336 -0.219 20 0 BBADLO COC(=O)C[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000330363782 384367303 /nfs/dbraw/zinc/36/73/03/384367303.db2.gz SHYZJWKQMRNRTA-SECBINFHSA-N 1 2 216.237 -0.478 20 0 BBADLO COC(=O)C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000330363782 384367298 /nfs/dbraw/zinc/36/72/98/384367298.db2.gz SHYZJWKQMRNRTA-SECBINFHSA-N 1 2 216.237 -0.478 20 0 BBADLO COC(=O)C[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000330363783 384367696 /nfs/dbraw/zinc/36/76/96/384367696.db2.gz SHYZJWKQMRNRTA-VIFPVBQESA-N 1 2 216.237 -0.478 20 0 BBADLO COC(=O)C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000330363783 384367691 /nfs/dbraw/zinc/36/76/91/384367691.db2.gz SHYZJWKQMRNRTA-VIFPVBQESA-N 1 2 216.237 -0.478 20 0 BBADLO CN(CC[NH+]1CCOCC1)Cc1nnc[nH]1 ZINC000330363814 386674753 /nfs/dbraw/zinc/67/47/53/386674753.db2.gz UINVKBVJURBIDR-UHFFFAOYSA-N 1 2 225.296 -0.431 20 0 BBADLO CC(C)[N@H+](Cc1nnn(C)n1)C[C@@H](C)O ZINC000330363822 187357298 /nfs/dbraw/zinc/35/72/98/187357298.db2.gz UUHLNAVMFYOBON-MRVPVSSYSA-N 1 2 213.285 -0.199 20 0 BBADLO CC(C)[N@@H+](Cc1nnn(C)n1)C[C@@H](C)O ZINC000330363822 187357296 /nfs/dbraw/zinc/35/72/96/187357296.db2.gz UUHLNAVMFYOBON-MRVPVSSYSA-N 1 2 213.285 -0.199 20 0 BBADLO CC(C)[N@H+](Cc1nnn(C)n1)C[C@H](C)O ZINC000330363823 188045947 /nfs/dbraw/zinc/04/59/47/188045947.db2.gz UUHLNAVMFYOBON-QMMMGPOBSA-N 1 2 213.285 -0.199 20 0 BBADLO CC(C)[N@@H+](Cc1nnn(C)n1)C[C@H](C)O ZINC000330363823 188045946 /nfs/dbraw/zinc/04/59/46/188045946.db2.gz UUHLNAVMFYOBON-QMMMGPOBSA-N 1 2 213.285 -0.199 20 0 BBADLO C[N@@H+](Cc1cnns1)CC(C)(CO)CO ZINC000330363825 384366143 /nfs/dbraw/zinc/36/61/43/384366143.db2.gz UWDGCEUCCZHVEH-UHFFFAOYSA-N 1 2 231.321 -0.039 20 0 BBADLO C[N@H+](Cc1cnns1)CC(C)(CO)CO ZINC000330363825 384366140 /nfs/dbraw/zinc/36/61/40/384366140.db2.gz UWDGCEUCCZHVEH-UHFFFAOYSA-N 1 2 231.321 -0.039 20 0 BBADLO Cn1ncnc1C[N@H+]1CCC[C@H](OCCO)C1 ZINC000330364124 386673081 /nfs/dbraw/zinc/67/30/81/386673081.db2.gz FKJZYIHVQJCFLB-JTQLQIEISA-N 1 2 240.307 -0.212 20 0 BBADLO Cn1ncnc1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000330364124 386673074 /nfs/dbraw/zinc/67/30/74/386673074.db2.gz FKJZYIHVQJCFLB-JTQLQIEISA-N 1 2 240.307 -0.212 20 0 BBADLO Cn1ncnc1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000330364125 386674648 /nfs/dbraw/zinc/67/46/48/386674648.db2.gz FKJZYIHVQJCFLB-SNVBAGLBSA-N 1 2 240.307 -0.212 20 0 BBADLO Cn1ncnc1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000330364125 386674644 /nfs/dbraw/zinc/67/46/44/386674644.db2.gz FKJZYIHVQJCFLB-SNVBAGLBSA-N 1 2 240.307 -0.212 20 0 BBADLO Cn1cc(C[N@H+]2CCC[C@@H](OCCO)C2)nn1 ZINC000330364138 386673756 /nfs/dbraw/zinc/67/37/56/386673756.db2.gz FUDFOZRIXMYMRK-LLVKDONJSA-N 1 2 240.307 -0.212 20 0 BBADLO Cn1cc(C[N@@H+]2CCC[C@@H](OCCO)C2)nn1 ZINC000330364138 386673751 /nfs/dbraw/zinc/67/37/51/386673751.db2.gz FUDFOZRIXMYMRK-LLVKDONJSA-N 1 2 240.307 -0.212 20 0 BBADLO Cn1cc(C[N@H+]2CCC[C@H](OCCO)C2)nn1 ZINC000330364139 386675254 /nfs/dbraw/zinc/67/52/54/386675254.db2.gz FUDFOZRIXMYMRK-NSHDSACASA-N 1 2 240.307 -0.212 20 0 BBADLO Cn1cc(C[N@@H+]2CCC[C@H](OCCO)C2)nn1 ZINC000330364139 386675247 /nfs/dbraw/zinc/67/52/47/386675247.db2.gz FUDFOZRIXMYMRK-NSHDSACASA-N 1 2 240.307 -0.212 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000330364187 176046400 /nfs/dbraw/zinc/04/64/00/176046400.db2.gz GPWHNDMIZOFFGJ-NXEZZACHSA-N 1 2 238.291 -0.936 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000330364187 176046398 /nfs/dbraw/zinc/04/63/98/176046398.db2.gz GPWHNDMIZOFFGJ-NXEZZACHSA-N 1 2 238.291 -0.936 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000330364188 177059669 /nfs/dbraw/zinc/05/96/69/177059669.db2.gz GPWHNDMIZOFFGJ-VHSXEESVSA-N 1 2 238.291 -0.936 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000330364188 177059668 /nfs/dbraw/zinc/05/96/68/177059668.db2.gz GPWHNDMIZOFFGJ-VHSXEESVSA-N 1 2 238.291 -0.936 20 0 BBADLO CCOC(=O)C[NH+]1CCC(O)(C(N)=O)CC1 ZINC000330364343 170218906 /nfs/dbraw/zinc/21/89/06/170218906.db2.gz KQIFMUADOKUNBH-UHFFFAOYSA-N 1 2 230.264 -0.088 20 0 BBADLO COC(=O)[C@H]1C[N@@H+](CCn2cncn2)CCO1 ZINC000330364346 385284202 /nfs/dbraw/zinc/28/42/02/385284202.db2.gz KVZGQNNRINNABN-SECBINFHSA-N 1 2 240.263 -0.848 20 0 BBADLO COC(=O)[C@H]1C[N@H+](CCn2cncn2)CCO1 ZINC000330364346 385284194 /nfs/dbraw/zinc/28/41/94/385284194.db2.gz KVZGQNNRINNABN-SECBINFHSA-N 1 2 240.263 -0.848 20 0 BBADLO COC(=O)[C@@H]1C[N@@H+](CCn2cncn2)CCO1 ZINC000330364347 397800314 /nfs/dbraw/zinc/80/03/14/397800314.db2.gz KVZGQNNRINNABN-VIFPVBQESA-N 1 2 240.263 -0.848 20 0 BBADLO COC(=O)[C@@H]1C[N@H+](CCn2cncn2)CCO1 ZINC000330364347 397800310 /nfs/dbraw/zinc/80/03/10/397800310.db2.gz KVZGQNNRINNABN-VIFPVBQESA-N 1 2 240.263 -0.848 20 0 BBADLO CN(C)c1nc(NCc2[nH+]ccn2C)n[nH]1 ZINC000330364359 412198354 /nfs/dbraw/zinc/19/83/54/412198354.db2.gz LGPIRZGHDRDZTL-UHFFFAOYSA-N 1 2 221.268 0.216 20 0 BBADLO CN(C)c1n[nH]c(NCc2[nH+]ccn2C)n1 ZINC000330364359 412198352 /nfs/dbraw/zinc/19/83/52/412198352.db2.gz LGPIRZGHDRDZTL-UHFFFAOYSA-N 1 2 221.268 0.216 20 0 BBADLO CC(C)OC[C@@H](O)C[N@H+]1CCNC(=O)C1(C)C ZINC000330364453 167260963 /nfs/dbraw/zinc/26/09/63/167260963.db2.gz OMYMTLVXABBOQH-JTQLQIEISA-N 1 2 244.335 -0.017 20 0 BBADLO CC(C)OC[C@@H](O)C[N@@H+]1CCNC(=O)C1(C)C ZINC000330364453 167260961 /nfs/dbraw/zinc/26/09/61/167260961.db2.gz OMYMTLVXABBOQH-JTQLQIEISA-N 1 2 244.335 -0.017 20 0 BBADLO CC(C)OC[C@H](O)C[N@H+]1CCNC(=O)C1(C)C ZINC000330364454 167269363 /nfs/dbraw/zinc/26/93/63/167269363.db2.gz OMYMTLVXABBOQH-SNVBAGLBSA-N 1 2 244.335 -0.017 20 0 BBADLO CC(C)OC[C@H](O)C[N@@H+]1CCNC(=O)C1(C)C ZINC000330364454 167269360 /nfs/dbraw/zinc/26/93/60/167269360.db2.gz OMYMTLVXABBOQH-SNVBAGLBSA-N 1 2 244.335 -0.017 20 0 BBADLO CNC(=O)Cn1ncc2c1nc[nH+]c2NC ZINC000330364573 173284549 /nfs/dbraw/zinc/28/45/49/173284549.db2.gz ROROJUXBGVQAQS-UHFFFAOYSA-N 1 2 220.236 -0.386 20 0 BBADLO C[C@H](CC(=O)N(C)C)[NH2+]Cc1nnn(C)n1 ZINC000330364724 384372843 /nfs/dbraw/zinc/37/28/43/384372843.db2.gz VIGDHKDRAWRHKK-SSDOTTSWSA-N 1 2 226.284 -0.834 20 0 BBADLO C[C@@H](CC(=O)N(C)C)[NH2+]Cc1nnn(C)n1 ZINC000330364725 384373573 /nfs/dbraw/zinc/37/35/73/384373573.db2.gz VIGDHKDRAWRHKK-ZETCQYMHSA-N 1 2 226.284 -0.834 20 0 BBADLO CC[NH+](CC)CC(=O)NCc1n[nH]c(=O)[nH]1 ZINC000330372510 386678905 /nfs/dbraw/zinc/67/89/05/386678905.db2.gz BNYNLKYJTMTCLT-UHFFFAOYSA-N 1 2 227.268 -0.532 20 0 BBADLO CNC(=O)C[N@@H+](C)Cc1cnc(OC)nc1C ZINC000330384143 173270337 /nfs/dbraw/zinc/27/03/37/173270337.db2.gz KIEXFIKWOWSDML-UHFFFAOYSA-N 1 2 238.291 -0.029 20 0 BBADLO CNC(=O)C[N@H+](C)Cc1cnc(OC)nc1C ZINC000330384143 173270335 /nfs/dbraw/zinc/27/03/35/173270335.db2.gz KIEXFIKWOWSDML-UHFFFAOYSA-N 1 2 238.291 -0.029 20 0 BBADLO CC[C@@H](OC)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000330392354 353171384 /nfs/dbraw/zinc/17/13/84/353171384.db2.gz IZVCMYMHQPSNEM-NXEZZACHSA-N 1 2 230.308 -0.142 20 0 BBADLO CC[C@@H](OC)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000330392354 353171381 /nfs/dbraw/zinc/17/13/81/353171381.db2.gz IZVCMYMHQPSNEM-NXEZZACHSA-N 1 2 230.308 -0.142 20 0 BBADLO CC[C@H](OC)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000330392355 386713856 /nfs/dbraw/zinc/71/38/56/386713856.db2.gz IZVCMYMHQPSNEM-UWVGGRQHSA-N 1 2 230.308 -0.142 20 0 BBADLO CC[C@H](OC)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000330392355 386713851 /nfs/dbraw/zinc/71/38/51/386713851.db2.gz IZVCMYMHQPSNEM-UWVGGRQHSA-N 1 2 230.308 -0.142 20 0 BBADLO CC[C@@H](OC)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000330392357 355933194 /nfs/dbraw/zinc/93/31/94/355933194.db2.gz IZVCMYMHQPSNEM-VHSXEESVSA-N 1 2 230.308 -0.142 20 0 BBADLO CC[C@@H](OC)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000330392357 355933190 /nfs/dbraw/zinc/93/31/90/355933190.db2.gz IZVCMYMHQPSNEM-VHSXEESVSA-N 1 2 230.308 -0.142 20 0 BBADLO CC[C@H](OC)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000330392359 386713907 /nfs/dbraw/zinc/71/39/07/386713907.db2.gz IZVCMYMHQPSNEM-ZJUUUORDSA-N 1 2 230.308 -0.142 20 0 BBADLO CC[C@H](OC)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000330392359 386713898 /nfs/dbraw/zinc/71/38/98/386713898.db2.gz IZVCMYMHQPSNEM-ZJUUUORDSA-N 1 2 230.308 -0.142 20 0 BBADLO O=C(CCn1cc[nH+]c1)NC[C@H]1COCCO1 ZINC000330395778 386702775 /nfs/dbraw/zinc/70/27/75/386702775.db2.gz NERSXZTYNCVYRC-JTQLQIEISA-N 1 2 239.275 -0.195 20 0 BBADLO O=C(CCn1cc[nH+]c1)NC[C@@H]1COCCO1 ZINC000330395779 386701011 /nfs/dbraw/zinc/70/10/11/386701011.db2.gz NERSXZTYNCVYRC-SNVBAGLBSA-N 1 2 239.275 -0.195 20 0 BBADLO C[C@@H](O)CN1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000330397913 386700958 /nfs/dbraw/zinc/70/09/58/386700958.db2.gz HJEHDFAMGSCKHC-NXEZZACHSA-N 1 2 245.323 -0.465 20 0 BBADLO C[C@@H](O)CN1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000330397913 386700952 /nfs/dbraw/zinc/70/09/52/386700952.db2.gz HJEHDFAMGSCKHC-NXEZZACHSA-N 1 2 245.323 -0.465 20 0 BBADLO C[C@H](O)CN1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000330397914 386700516 /nfs/dbraw/zinc/70/05/16/386700516.db2.gz HJEHDFAMGSCKHC-UWVGGRQHSA-N 1 2 245.323 -0.465 20 0 BBADLO C[C@H](O)CN1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000330397914 386700511 /nfs/dbraw/zinc/70/05/11/386700511.db2.gz HJEHDFAMGSCKHC-UWVGGRQHSA-N 1 2 245.323 -0.465 20 0 BBADLO C[C@H](O)CN1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000330397915 386700651 /nfs/dbraw/zinc/70/06/51/386700651.db2.gz HJEHDFAMGSCKHC-VHSXEESVSA-N 1 2 245.323 -0.465 20 0 BBADLO C[C@H](O)CN1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000330397915 386700647 /nfs/dbraw/zinc/70/06/47/386700647.db2.gz HJEHDFAMGSCKHC-VHSXEESVSA-N 1 2 245.323 -0.465 20 0 BBADLO C[C@@H](O)CN1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000330397916 386701298 /nfs/dbraw/zinc/70/12/98/386701298.db2.gz HJEHDFAMGSCKHC-ZJUUUORDSA-N 1 2 245.323 -0.465 20 0 BBADLO C[C@@H](O)CN1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000330397916 386701293 /nfs/dbraw/zinc/70/12/93/386701293.db2.gz HJEHDFAMGSCKHC-ZJUUUORDSA-N 1 2 245.323 -0.465 20 0 BBADLO CC(=O)CCC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000330400257 398213266 /nfs/dbraw/zinc/21/32/66/398213266.db2.gz NMDFCIQDFUDFND-JTQLQIEISA-N 1 2 242.319 -0.119 20 0 BBADLO CC(=O)CCC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000330400257 398213263 /nfs/dbraw/zinc/21/32/63/398213263.db2.gz NMDFCIQDFUDFND-JTQLQIEISA-N 1 2 242.319 -0.119 20 0 BBADLO CC(=O)CCC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000330400258 188045973 /nfs/dbraw/zinc/04/59/73/188045973.db2.gz NMDFCIQDFUDFND-SNVBAGLBSA-N 1 2 242.319 -0.119 20 0 BBADLO CC(=O)CCC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000330400258 188045972 /nfs/dbraw/zinc/04/59/72/188045972.db2.gz NMDFCIQDFUDFND-SNVBAGLBSA-N 1 2 242.319 -0.119 20 0 BBADLO CC(C)COCC[NH+]1CCN(C(=O)CO)CC1 ZINC000330408789 386707568 /nfs/dbraw/zinc/70/75/68/386707568.db2.gz PWGOLDDVCYBMNO-UHFFFAOYSA-N 1 2 244.335 -0.205 20 0 BBADLO CC(=O)CCC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000330412079 386707023 /nfs/dbraw/zinc/70/70/23/386707023.db2.gz VASMGTBLLPHVNE-NSHDSACASA-N 1 2 242.319 -0.119 20 0 BBADLO CNC(=O)CCC[N@@H+](C)Cc1nnnn1C ZINC000330414728 173237993 /nfs/dbraw/zinc/23/79/93/173237993.db2.gz NCZRRABMIWCBHP-UHFFFAOYSA-N 1 2 226.284 -0.832 20 0 BBADLO CNC(=O)CCC[N@H+](C)Cc1nnnn1C ZINC000330414728 173237988 /nfs/dbraw/zinc/23/79/88/173237988.db2.gz NCZRRABMIWCBHP-UHFFFAOYSA-N 1 2 226.284 -0.832 20 0 BBADLO COC(=O)CN(CC[NH+]1CCOCC1)C(C)=O ZINC000330423403 386710501 /nfs/dbraw/zinc/71/05/01/386710501.db2.gz QYRPBVKHHWHJCI-UHFFFAOYSA-N 1 2 244.291 -0.660 20 0 BBADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)C(=O)N(C)C ZINC000330426680 386713232 /nfs/dbraw/zinc/71/32/32/386713232.db2.gz WGERXETYDRFIPA-SECBINFHSA-N 1 2 238.291 -0.134 20 0 BBADLO C[C@H](NC(=O)CCn1cc[nH+]c1)C(=O)N(C)C ZINC000330426681 386713134 /nfs/dbraw/zinc/71/31/34/386713134.db2.gz WGERXETYDRFIPA-VIFPVBQESA-N 1 2 238.291 -0.134 20 0 BBADLO COC(=O)CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000330451775 386716525 /nfs/dbraw/zinc/71/65/25/386716525.db2.gz AKNZZTPTKORHJF-SECBINFHSA-N 1 2 244.291 -0.614 20 0 BBADLO COC(=O)CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000330451776 386715930 /nfs/dbraw/zinc/71/59/30/386715930.db2.gz AKNZZTPTKORHJF-VIFPVBQESA-N 1 2 244.291 -0.614 20 0 BBADLO CN(CC[NH+]1CCOCC1)C(=O)c1cn[nH]n1 ZINC000330452453 386716454 /nfs/dbraw/zinc/71/64/54/386716454.db2.gz ATVTXTHOSKJVHA-UHFFFAOYSA-N 1 2 239.279 -0.791 20 0 BBADLO CN(CC[NH+]1CCOCC1)C(=O)c1cn[nH]c1 ZINC000330456140 386720040 /nfs/dbraw/zinc/72/00/40/386720040.db2.gz FKIJIIQYXYFWST-UHFFFAOYSA-N 1 2 238.291 -0.186 20 0 BBADLO CCN(CCO)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000330457218 386718973 /nfs/dbraw/zinc/71/89/73/386718973.db2.gz OKUUQWGRYNDMDW-JTQLQIEISA-N 1 2 230.308 -0.452 20 0 BBADLO CCN(CCO)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000330457219 386718835 /nfs/dbraw/zinc/71/88/35/386718835.db2.gz OKUUQWGRYNDMDW-SNVBAGLBSA-N 1 2 230.308 -0.452 20 0 BBADLO CC(C)(C)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000330457275 386719078 /nfs/dbraw/zinc/71/90/78/386719078.db2.gz OKUUBKKCVYMPQO-JTQLQIEISA-N 1 2 244.335 -0.158 20 0 BBADLO CC(C)(C)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000330457276 386719962 /nfs/dbraw/zinc/71/99/62/386719962.db2.gz OKUUBKKCVYMPQO-SNVBAGLBSA-N 1 2 244.335 -0.158 20 0 BBADLO CC(C)CC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000330460869 386722828 /nfs/dbraw/zinc/72/28/28/386722828.db2.gz RIKQDRXOWVNIOL-LLVKDONJSA-N 1 2 244.335 -0.158 20 0 BBADLO CC(C)CC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000330460870 386723151 /nfs/dbraw/zinc/72/31/51/386723151.db2.gz RIKQDRXOWVNIOL-NSHDSACASA-N 1 2 244.335 -0.158 20 0 BBADLO CC(C)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000330461316 386722086 /nfs/dbraw/zinc/72/20/86/386722086.db2.gz RVNWIIHXGIHXMU-JTQLQIEISA-N 1 2 230.308 -0.548 20 0 BBADLO CC(C)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000330461318 386722192 /nfs/dbraw/zinc/72/21/92/386722192.db2.gz RVNWIIHXGIHXMU-SNVBAGLBSA-N 1 2 230.308 -0.548 20 0 BBADLO CCC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000330461348 168236453 /nfs/dbraw/zinc/23/64/53/168236453.db2.gz RXLNHZRLEPZRQQ-SECBINFHSA-N 1 2 216.281 -0.794 20 0 BBADLO CCC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000330461349 168240691 /nfs/dbraw/zinc/24/06/91/168240691.db2.gz RXLNHZRLEPZRQQ-VIFPVBQESA-N 1 2 216.281 -0.794 20 0 BBADLO CN(CC[NH+]1CCOCC1)C(=O)c1c[nH]cn1 ZINC000330462535 386721711 /nfs/dbraw/zinc/72/17/11/386721711.db2.gz BOIYQKBBJJHFOK-UHFFFAOYSA-N 1 2 238.291 -0.186 20 0 BBADLO CC[C@@H](C)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000330465402 386722467 /nfs/dbraw/zinc/72/24/67/386722467.db2.gz VUHVQZDDMRWRMG-GHMZBOCLSA-N 1 2 244.335 -0.158 20 0 BBADLO CC[C@@H](C)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000330465403 386721783 /nfs/dbraw/zinc/72/17/83/386721783.db2.gz VUHVQZDDMRWRMG-MNOVXSKESA-N 1 2 244.335 -0.158 20 0 BBADLO CC[C@H](C)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000330465404 171253755 /nfs/dbraw/zinc/25/37/55/171253755.db2.gz VUHVQZDDMRWRMG-QWRGUYRKSA-N 1 2 244.335 -0.158 20 0 BBADLO CC[C@H](C)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000330465405 171253212 /nfs/dbraw/zinc/25/32/12/171253212.db2.gz VUHVQZDDMRWRMG-WDEREUQCSA-N 1 2 244.335 -0.158 20 0 BBADLO CCN(CCCO)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000330466466 386724711 /nfs/dbraw/zinc/72/47/11/386724711.db2.gz HLQSOUMVCYOBMF-LLVKDONJSA-N 1 2 244.335 -0.062 20 0 BBADLO CCN(CCCO)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000330466467 386725783 /nfs/dbraw/zinc/72/57/83/386725783.db2.gz HLQSOUMVCYOBMF-NSHDSACASA-N 1 2 244.335 -0.062 20 0 BBADLO CN(C)c1[nH+]cccc1CNC(=O)CO ZINC000330471873 386728820 /nfs/dbraw/zinc/72/88/20/386728820.db2.gz CWLYQJRNAKRYGD-UHFFFAOYSA-N 1 2 209.249 -0.244 20 0 BBADLO CCC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000330473612 168221985 /nfs/dbraw/zinc/22/19/85/168221985.db2.gz ZRSDYZZMPHKSEL-UHFFFAOYSA-N 1 2 237.307 -0.168 20 0 BBADLO C[C@H](CCO)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000330473803 386728157 /nfs/dbraw/zinc/72/81/57/386728157.db2.gz CAZOVHQLPONMAQ-NXEZZACHSA-N 1 2 230.308 -0.406 20 0 BBADLO C[C@@H](CCO)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000330473804 386728508 /nfs/dbraw/zinc/72/85/08/386728508.db2.gz CAZOVHQLPONMAQ-UWVGGRQHSA-N 1 2 230.308 -0.406 20 0 BBADLO C[C@H](C(=O)N[C@@H](C)CCO)[NH+]1CCOCC1 ZINC000330473805 386729114 /nfs/dbraw/zinc/72/91/14/386729114.db2.gz CAZOVHQLPONMAQ-VHSXEESVSA-N 1 2 230.308 -0.406 20 0 BBADLO C[C@H](CCO)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000330473806 386728896 /nfs/dbraw/zinc/72/88/96/386728896.db2.gz CAZOVHQLPONMAQ-ZJUUUORDSA-N 1 2 230.308 -0.406 20 0 BBADLO C[C@@H](O)CCNC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000330474182 386729315 /nfs/dbraw/zinc/72/93/15/386729315.db2.gz CNAQDHVXZBUAEW-GHMZBOCLSA-N 1 2 243.351 -0.491 20 0 BBADLO C[C@@H](O)CCNC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000330474183 386729035 /nfs/dbraw/zinc/72/90/35/386729035.db2.gz CNAQDHVXZBUAEW-MNOVXSKESA-N 1 2 243.351 -0.491 20 0 BBADLO C[C@H](O)CCNC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000330474184 386727563 /nfs/dbraw/zinc/72/75/63/386727563.db2.gz CNAQDHVXZBUAEW-QWRGUYRKSA-N 1 2 243.351 -0.491 20 0 BBADLO C[C@H](C(=O)NCC[C@H](C)O)[NH+]1CCN(C)CC1 ZINC000330474185 386727311 /nfs/dbraw/zinc/72/73/11/386727311.db2.gz CNAQDHVXZBUAEW-WDEREUQCSA-N 1 2 243.351 -0.491 20 0 BBADLO NS(=O)(=O)[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000330475659 386728544 /nfs/dbraw/zinc/72/85/44/386728544.db2.gz UCINCMABMSEUHM-JTQLQIEISA-N 1 2 241.316 -0.056 20 0 BBADLO NS(=O)(=O)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000330475659 386728539 /nfs/dbraw/zinc/72/85/39/386728539.db2.gz UCINCMABMSEUHM-JTQLQIEISA-N 1 2 241.316 -0.056 20 0 BBADLO NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000330475660 386726898 /nfs/dbraw/zinc/72/68/98/386726898.db2.gz UCINCMABMSEUHM-SNVBAGLBSA-N 1 2 241.316 -0.056 20 0 BBADLO NS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000330475660 386726892 /nfs/dbraw/zinc/72/68/92/386726892.db2.gz UCINCMABMSEUHM-SNVBAGLBSA-N 1 2 241.316 -0.056 20 0 BBADLO C[C@H](CCO)NC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000330480137 386731237 /nfs/dbraw/zinc/73/12/37/386731237.db2.gz NAVYOLOVGRVJPV-GHMZBOCLSA-N 1 2 243.351 -0.491 20 0 BBADLO C[C@H](CCO)NC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000330480138 386731875 /nfs/dbraw/zinc/73/18/75/386731875.db2.gz NAVYOLOVGRVJPV-MNOVXSKESA-N 1 2 243.351 -0.491 20 0 BBADLO C[C@@H](CCO)NC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000330480139 386731181 /nfs/dbraw/zinc/73/11/81/386731181.db2.gz NAVYOLOVGRVJPV-QWRGUYRKSA-N 1 2 243.351 -0.491 20 0 BBADLO C[C@H](C(=O)N[C@@H](C)CCO)[NH+]1CCN(C)CC1 ZINC000330480140 386731110 /nfs/dbraw/zinc/73/11/10/386731110.db2.gz NAVYOLOVGRVJPV-WDEREUQCSA-N 1 2 243.351 -0.491 20 0 BBADLO C[C@@H](O)CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000330481561 386734452 /nfs/dbraw/zinc/73/44/52/386734452.db2.gz PRRPXHCNMQNGHQ-NXEZZACHSA-N 1 2 230.308 -0.406 20 0 BBADLO C[C@H](O)CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000330481562 386733785 /nfs/dbraw/zinc/73/37/85/386733785.db2.gz PRRPXHCNMQNGHQ-UWVGGRQHSA-N 1 2 230.308 -0.406 20 0 BBADLO C[C@H](C(=O)NCC[C@H](C)O)[NH+]1CCOCC1 ZINC000330481563 386734802 /nfs/dbraw/zinc/73/48/02/386734802.db2.gz PRRPXHCNMQNGHQ-VHSXEESVSA-N 1 2 230.308 -0.406 20 0 BBADLO C[C@@H](O)CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000330481564 175614857 /nfs/dbraw/zinc/61/48/57/175614857.db2.gz PRRPXHCNMQNGHQ-ZJUUUORDSA-N 1 2 230.308 -0.406 20 0 BBADLO COCC1(O)CC[NH+](CC(=O)OC)CC1 ZINC000330488271 174111474 /nfs/dbraw/zinc/11/14/74/174111474.db2.gz JIYDKLOOLSZREP-UHFFFAOYSA-N 1 2 217.265 -0.367 20 0 BBADLO C[C@H](CCCO)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000330496856 386750443 /nfs/dbraw/zinc/75/04/43/386750443.db2.gz WKEGRPVYSJENMV-GHMZBOCLSA-N 1 2 244.335 -0.016 20 0 BBADLO C[C@H](CCCO)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000330496857 386750072 /nfs/dbraw/zinc/75/00/72/386750072.db2.gz WKEGRPVYSJENMV-MNOVXSKESA-N 1 2 244.335 -0.016 20 0 BBADLO C[C@@H](CCCO)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000330496858 386751507 /nfs/dbraw/zinc/75/15/07/386751507.db2.gz WKEGRPVYSJENMV-QWRGUYRKSA-N 1 2 244.335 -0.016 20 0 BBADLO C[C@H](C(=O)N[C@@H](C)CCCO)[NH+]1CCOCC1 ZINC000330496862 386751107 /nfs/dbraw/zinc/75/11/07/386751107.db2.gz WKEGRPVYSJENMV-WDEREUQCSA-N 1 2 244.335 -0.016 20 0 BBADLO CNC(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000330499002 173216102 /nfs/dbraw/zinc/21/61/02/173216102.db2.gz FRAFGWCSZZYCAH-UHFFFAOYSA-N 1 2 238.291 -0.099 20 0 BBADLO CNC(=O)CC[N@@H+](C)Cc1nc(C)no1 ZINC000330500880 173249547 /nfs/dbraw/zinc/24/95/47/173249547.db2.gz RQQBHMORFQAVPX-UHFFFAOYSA-N 1 2 212.253 -0.054 20 0 BBADLO CNC(=O)CC[N@H+](C)Cc1nc(C)no1 ZINC000330500880 173249546 /nfs/dbraw/zinc/24/95/46/173249546.db2.gz RQQBHMORFQAVPX-UHFFFAOYSA-N 1 2 212.253 -0.054 20 0 BBADLO Cn1nnnc1CSCC[NH+]1CCOCC1 ZINC000330510084 386745398 /nfs/dbraw/zinc/74/53/98/386745398.db2.gz QHJNCLRDXLPSAY-UHFFFAOYSA-N 1 2 243.336 -0.225 20 0 BBADLO COCCS(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000330510934 174370872 /nfs/dbraw/zinc/37/08/72/174370872.db2.gz FARUMUSAQPGNJX-UHFFFAOYSA-N 1 2 247.320 -0.172 20 0 BBADLO CCOC(=O)C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000330510945 170220195 /nfs/dbraw/zinc/22/01/95/170220195.db2.gz BFGFHOSTSRJVCL-SSDOTTSWSA-N 1 2 215.253 -0.294 20 0 BBADLO CCOC(=O)C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000330510945 170220194 /nfs/dbraw/zinc/22/01/94/170220194.db2.gz BFGFHOSTSRJVCL-SSDOTTSWSA-N 1 2 215.253 -0.294 20 0 BBADLO CCOC(=O)C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000330510948 170221633 /nfs/dbraw/zinc/22/16/33/170221633.db2.gz BFGFHOSTSRJVCL-ZETCQYMHSA-N 1 2 215.253 -0.294 20 0 BBADLO CCOC(=O)C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000330510948 170221632 /nfs/dbraw/zinc/22/16/32/170221632.db2.gz BFGFHOSTSRJVCL-ZETCQYMHSA-N 1 2 215.253 -0.294 20 0 BBADLO CN1CCOC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000330514110 173099344 /nfs/dbraw/zinc/09/93/44/173099344.db2.gz DKGDFAZLEMOJNU-JTQLQIEISA-N 1 2 238.291 -0.670 20 0 BBADLO CN1CCOC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000330514113 173098938 /nfs/dbraw/zinc/09/89/38/173098938.db2.gz DKGDFAZLEMOJNU-SNVBAGLBSA-N 1 2 238.291 -0.670 20 0 BBADLO COC(=O)[C@H](C)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000330521561 386770848 /nfs/dbraw/zinc/77/08/48/386770848.db2.gz LSKUIQMKBSYXAY-BQBZGAKWSA-N 1 2 215.253 -0.295 20 0 BBADLO COC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000330521561 386770842 /nfs/dbraw/zinc/77/08/42/386770842.db2.gz LSKUIQMKBSYXAY-BQBZGAKWSA-N 1 2 215.253 -0.295 20 0 BBADLO COC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000330521563 386771493 /nfs/dbraw/zinc/77/14/93/386771493.db2.gz LSKUIQMKBSYXAY-NKWVEPMBSA-N 1 2 215.253 -0.295 20 0 BBADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000330521563 386771487 /nfs/dbraw/zinc/77/14/87/386771487.db2.gz LSKUIQMKBSYXAY-NKWVEPMBSA-N 1 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BBADLO CCNC(=O)C[NH+]1CCC(O)(C(=O)OC)CC1 ZINC000330613487 170058794 /nfs/dbraw/zinc/05/87/94/170058794.db2.gz YVJPTYKCKXIWEL-UHFFFAOYSA-N 1 2 244.291 -0.878 20 0 BBADLO CC(C)CNC(=O)C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000330613710 386786352 /nfs/dbraw/zinc/78/63/52/386786352.db2.gz SFGRAKJHZGHCHJ-NXEZZACHSA-N 1 2 230.308 -0.550 20 0 BBADLO CC(C)CNC(=O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000330613710 386786347 /nfs/dbraw/zinc/78/63/47/386786347.db2.gz SFGRAKJHZGHCHJ-NXEZZACHSA-N 1 2 230.308 -0.550 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccn[nH]1 ZINC000330616007 176336583 /nfs/dbraw/zinc/33/65/83/176336583.db2.gz DCLNYWBKDXKMSP-SECBINFHSA-N 1 2 238.291 -0.140 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccn[nH]1 ZINC000330616007 176336582 /nfs/dbraw/zinc/33/65/82/176336582.db2.gz DCLNYWBKDXKMSP-SECBINFHSA-N 1 2 238.291 -0.140 20 0 BBADLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccn[nH]1 ZINC000330616008 177292501 /nfs/dbraw/zinc/29/25/01/177292501.db2.gz DCLNYWBKDXKMSP-VIFPVBQESA-N 1 2 238.291 -0.140 20 0 BBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccn[nH]1 ZINC000330616008 177292499 /nfs/dbraw/zinc/29/24/99/177292499.db2.gz DCLNYWBKDXKMSP-VIFPVBQESA-N 1 2 238.291 -0.140 20 0 BBADLO CC(C)[C@@H](C)NC(=O)C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000330616198 167373759 /nfs/dbraw/zinc/37/37/59/167373759.db2.gz VJHGBJFJIGCCTF-GMTAPVOTSA-N 1 2 244.335 -0.161 20 0 BBADLO CC(C)[C@@H](C)NC(=O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000330616198 167373758 /nfs/dbraw/zinc/37/37/58/167373758.db2.gz VJHGBJFJIGCCTF-GMTAPVOTSA-N 1 2 244.335 -0.161 20 0 BBADLO CC(C)[C@H](C)NC(=O)C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000330616199 386818858 /nfs/dbraw/zinc/81/88/58/386818858.db2.gz VJHGBJFJIGCCTF-HBNTYKKESA-N 1 2 244.335 -0.161 20 0 BBADLO CC(C)[C@H](C)NC(=O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000330616199 386818853 /nfs/dbraw/zinc/81/88/53/386818853.db2.gz VJHGBJFJIGCCTF-HBNTYKKESA-N 1 2 244.335 -0.161 20 0 BBADLO COCCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330617541 174128808 /nfs/dbraw/zinc/12/88/08/174128808.db2.gz 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LTKVOYMBDWGISZ-UWVGGRQHSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330621267 386822108 /nfs/dbraw/zinc/82/21/08/386822108.db2.gz LTKVOYMBDWGISZ-UWVGGRQHSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330621268 386821873 /nfs/dbraw/zinc/82/18/73/386821873.db2.gz LTKVOYMBDWGISZ-VHSXEESVSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330621268 386821867 /nfs/dbraw/zinc/82/18/67/386821867.db2.gz LTKVOYMBDWGISZ-VHSXEESVSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330621269 386820987 /nfs/dbraw/zinc/82/09/87/386820987.db2.gz LTKVOYMBDWGISZ-ZJUUUORDSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330621269 386820982 /nfs/dbraw/zinc/82/09/82/386820982.db2.gz LTKVOYMBDWGISZ-ZJUUUORDSA-N 1 2 230.308 -0.142 20 0 BBADLO CCOCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330627222 170343256 /nfs/dbraw/zinc/34/32/56/170343256.db2.gz 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213.285 -0.199 20 0 BBADLO CC(C)[N@@H+](Cc1nnnn1C)C[C@H](C)O ZINC000330637775 386827288 /nfs/dbraw/zinc/82/72/88/386827288.db2.gz GAVNHQFVHFATJS-QMMMGPOBSA-N 1 2 213.285 -0.199 20 0 BBADLO NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC000330638726 386807772 /nfs/dbraw/zinc/80/77/72/386807772.db2.gz WBSRNBAUDMJDSN-JTQLQIEISA-N 1 2 241.316 -0.056 20 0 BBADLO NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC000330638726 386807765 /nfs/dbraw/zinc/80/77/65/386807765.db2.gz WBSRNBAUDMJDSN-JTQLQIEISA-N 1 2 241.316 -0.056 20 0 BBADLO NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC000330638727 386808989 /nfs/dbraw/zinc/80/89/89/386808989.db2.gz WBSRNBAUDMJDSN-SNVBAGLBSA-N 1 2 241.316 -0.056 20 0 BBADLO NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC000330638727 386808985 /nfs/dbraw/zinc/80/89/85/386808985.db2.gz WBSRNBAUDMJDSN-SNVBAGLBSA-N 1 2 241.316 -0.056 20 0 BBADLO CC(=O)CCCC(=O)N1CC[NH+](CCO)CC1 ZINC000330641046 386807322 /nfs/dbraw/zinc/80/73/22/386807322.db2.gz CRWYRPLCTSWWPC-UHFFFAOYSA-N 1 2 242.319 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230.308 -0.406 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)NCC[C@H](C)O ZINC000330649594 170002059 /nfs/dbraw/zinc/00/20/59/170002059.db2.gz HATCHRCUMAXGML-UWVGGRQHSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCC[C@H](C)O ZINC000330649594 170002058 /nfs/dbraw/zinc/00/20/58/170002058.db2.gz HATCHRCUMAXGML-UWVGGRQHSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCC[C@H](C)O ZINC000330649595 170001414 /nfs/dbraw/zinc/00/14/14/170001414.db2.gz HATCHRCUMAXGML-VHSXEESVSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCC[C@H](C)O ZINC000330649595 170001411 /nfs/dbraw/zinc/00/14/11/170001411.db2.gz HATCHRCUMAXGML-VHSXEESVSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)NCC[C@@H](C)O ZINC000330649596 170001208 /nfs/dbraw/zinc/00/12/08/170001208.db2.gz HATCHRCUMAXGML-ZJUUUORDSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCC[C@@H](C)O ZINC000330649596 170001207 /nfs/dbraw/zinc/00/12/07/170001207.db2.gz HATCHRCUMAXGML-ZJUUUORDSA-N 1 2 230.308 -0.406 20 0 BBADLO COC[C@H](O)C[N@H+]1CCSC[C@@H]1C(N)=O ZINC000330651574 386813990 /nfs/dbraw/zinc/81/39/90/386813990.db2.gz MHAKGJVKHQLCJR-HTQZYQBOSA-N 1 2 234.321 -0.054 20 0 BBADLO COC[C@H](O)C[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000330651574 386813981 /nfs/dbraw/zinc/81/39/81/386813981.db2.gz MHAKGJVKHQLCJR-HTQZYQBOSA-N 1 2 234.321 -0.054 20 0 BBADLO COC[C@H](O)C[N@H+]1CCSC[C@H]1C(N)=O ZINC000330651577 386812665 /nfs/dbraw/zinc/81/26/65/386812665.db2.gz MHAKGJVKHQLCJR-SFYZADRCSA-N 1 2 234.321 -0.054 20 0 BBADLO COC[C@H](O)C[N@@H+]1CCSC[C@H]1C(N)=O ZINC000330651577 386812661 /nfs/dbraw/zinc/81/26/61/386812661.db2.gz MHAKGJVKHQLCJR-SFYZADRCSA-N 1 2 234.321 -0.054 20 0 BBADLO CCN(CCO)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000330656307 386814822 /nfs/dbraw/zinc/81/48/22/386814822.db2.gz LFIKTWSEAQISBI-JTQLQIEISA-N 1 2 230.308 -0.452 20 0 BBADLO CCN(CCO)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000330656307 386814816 /nfs/dbraw/zinc/81/48/16/386814816.db2.gz LFIKTWSEAQISBI-JTQLQIEISA-N 1 2 230.308 -0.452 20 0 BBADLO CCN(CCO)C(=O)[C@H]1COCC[N@H+]1CC ZINC000330656309 386813322 /nfs/dbraw/zinc/81/33/22/386813322.db2.gz LFIKTWSEAQISBI-SNVBAGLBSA-N 1 2 230.308 -0.452 20 0 BBADLO CCN(CCO)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000330656309 386813320 /nfs/dbraw/zinc/81/33/20/386813320.db2.gz LFIKTWSEAQISBI-SNVBAGLBSA-N 1 2 230.308 -0.452 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)CC[C@@H](C)O ZINC000330661129 170000957 /nfs/dbraw/zinc/00/09/57/170000957.db2.gz OJYFZGDTJKGFBN-GHMZBOCLSA-N 1 2 244.335 -0.064 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)CC[C@@H](C)O ZINC000330661129 170000956 /nfs/dbraw/zinc/00/09/56/170000956.db2.gz OJYFZGDTJKGFBN-GHMZBOCLSA-N 1 2 244.335 -0.064 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)CC[C@@H](C)O ZINC000330661131 170002248 /nfs/dbraw/zinc/00/22/48/170002248.db2.gz OJYFZGDTJKGFBN-MNOVXSKESA-N 1 2 244.335 -0.064 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)CC[C@@H](C)O ZINC000330661131 170002247 /nfs/dbraw/zinc/00/22/47/170002247.db2.gz OJYFZGDTJKGFBN-MNOVXSKESA-N 1 2 244.335 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2 244.335 -0.016 20 0 BBADLO CC[C@@H](O)CCNC(=O)[C@@H]1COCC[N@H+]1CC ZINC000330663569 353176257 /nfs/dbraw/zinc/17/62/57/353176257.db2.gz QILLBQJOCBJTGK-MNOVXSKESA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@@H](O)CCNC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000330663569 353176253 /nfs/dbraw/zinc/17/62/53/353176253.db2.gz QILLBQJOCBJTGK-MNOVXSKESA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@H](O)CCNC(=O)[C@@H]1COCC[N@H+]1CC ZINC000330663570 386816454 /nfs/dbraw/zinc/81/64/54/386816454.db2.gz QILLBQJOCBJTGK-QWRGUYRKSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@H](O)CCNC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000330663570 386816450 /nfs/dbraw/zinc/81/64/50/386816450.db2.gz QILLBQJOCBJTGK-QWRGUYRKSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@H](O)CCNC(=O)[C@H]1COCC[N@H+]1CC ZINC000330663571 386815994 /nfs/dbraw/zinc/81/59/94/386815994.db2.gz QILLBQJOCBJTGK-WDEREUQCSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@H](O)CCNC(=O)[C@H]1COCC[N@@H+]1CC ZINC000330663571 386815984 /nfs/dbraw/zinc/81/59/84/386815984.db2.gz QILLBQJOCBJTGK-WDEREUQCSA-N 1 2 244.335 -0.016 20 0 BBADLO NC(=O)NC(=O)CSCC[NH+]1CCOCC1 ZINC000330666540 181202621 /nfs/dbraw/zinc/20/26/21/181202621.db2.gz SDLOJRRBNHVFOS-UHFFFAOYSA-N 1 2 247.320 -0.339 20 0 BBADLO CSCC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000330668245 386816306 /nfs/dbraw/zinc/81/63/06/386816306.db2.gz XQTAONBLADAWOU-SECBINFHSA-N 1 2 248.348 -0.841 20 0 BBADLO CSCC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000330668246 386816012 /nfs/dbraw/zinc/81/60/12/386816012.db2.gz XQTAONBLADAWOU-VIFPVBQESA-N 1 2 248.348 -0.841 20 0 BBADLO CCC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000330669420 168229847 /nfs/dbraw/zinc/22/98/47/168229847.db2.gz YRAQPMLIGASDDB-SECBINFHSA-N 1 2 216.281 -0.794 20 0 BBADLO CCC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000330669421 168232282 /nfs/dbraw/zinc/23/22/82/168232282.db2.gz YRAQPMLIGASDDB-VIFPVBQESA-N 1 2 216.281 -0.794 20 0 BBADLO CC[C@H](OC)C(=O)N1CC[NH+](CCO)CC1 ZINC000330682222 386827983 /nfs/dbraw/zinc/82/79/83/386827983.db2.gz HKZMOBSSIAMKAX-JTQLQIEISA-N 1 2 230.308 -0.452 20 0 BBADLO CC[C@@H](OC)C(=O)N1CC[NH+](CCO)CC1 ZINC000330682223 353177588 /nfs/dbraw/zinc/17/75/88/353177588.db2.gz HKZMOBSSIAMKAX-SNVBAGLBSA-N 1 2 230.308 -0.452 20 0 BBADLO CC[C@@H](O)CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000330686780 353177756 /nfs/dbraw/zinc/17/77/56/353177756.db2.gz MUODNNBSYIXPBV-GHMZBOCLSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@H](O)CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000330686781 386829406 /nfs/dbraw/zinc/82/94/06/386829406.db2.gz MUODNNBSYIXPBV-MNOVXSKESA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@H](O)CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000330686782 386830489 /nfs/dbraw/zinc/83/04/89/386830489.db2.gz MUODNNBSYIXPBV-QWRGUYRKSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@@H](O)CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000330686783 170923036 /nfs/dbraw/zinc/92/30/36/170923036.db2.gz MUODNNBSYIXPBV-WDEREUQCSA-N 1 2 244.335 -0.016 20 0 BBADLO C[C@H](C(=O)NCCCO)[NH+]1CCOCC1 ZINC000330688044 386831140 /nfs/dbraw/zinc/83/11/40/386831140.db2.gz NUOYTDDSHCZQPF-SECBINFHSA-N 1 2 216.281 -0.794 20 0 BBADLO C[C@@H](C(=O)NCCCO)[NH+]1CCOCC1 ZINC000330688045 386830074 /nfs/dbraw/zinc/83/00/74/386830074.db2.gz NUOYTDDSHCZQPF-VIFPVBQESA-N 1 2 216.281 -0.794 20 0 BBADLO CN1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC1=O ZINC000330694843 173192134 /nfs/dbraw/zinc/19/21/34/173192134.db2.gz DAZHMAOFFGCCAQ-MRVPVSSYSA-N 1 2 236.275 -0.311 20 0 BBADLO CN1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC1=O ZINC000330694845 173182747 /nfs/dbraw/zinc/18/27/47/173182747.db2.gz DAZHMAOFFGCCAQ-QMMMGPOBSA-N 1 2 236.275 -0.311 20 0 BBADLO C[C@@H]1C(=O)NCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000330705263 176045206 /nfs/dbraw/zinc/04/52/06/176045206.db2.gz KOSBPZWUFWYYOX-MRVPVSSYSA-N 1 2 236.275 -0.311 20 0 BBADLO C[C@H]1C(=O)NCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000330705264 177058597 /nfs/dbraw/zinc/05/85/97/177058597.db2.gz KOSBPZWUFWYYOX-QMMMGPOBSA-N 1 2 236.275 -0.311 20 0 BBADLO CCCN(CCO)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000330712828 169162929 /nfs/dbraw/zinc/16/29/29/169162929.db2.gz WDIODXUUAGSUJS-LLVKDONJSA-N 1 2 244.335 -0.062 20 0 BBADLO CCCN(CCO)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000330712829 169162285 /nfs/dbraw/zinc/16/22/85/169162285.db2.gz WDIODXUUAGSUJS-NSHDSACASA-N 1 2 244.335 -0.062 20 0 BBADLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1CCO ZINC000330720906 386867474 /nfs/dbraw/zinc/86/74/74/386867474.db2.gz BRAHZQRVCDUTQV-BDAKNGLRSA-N 1 2 217.265 -0.369 20 0 BBADLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1CCO ZINC000330720906 386867469 /nfs/dbraw/zinc/86/74/69/386867469.db2.gz BRAHZQRVCDUTQV-BDAKNGLRSA-N 1 2 217.265 -0.369 20 0 BBADLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1CCO ZINC000330720907 386868023 /nfs/dbraw/zinc/86/80/23/386868023.db2.gz BRAHZQRVCDUTQV-DTWKUNHWSA-N 1 2 217.265 -0.369 20 0 BBADLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1CCO ZINC000330720907 386868019 /nfs/dbraw/zinc/86/80/19/386868019.db2.gz BRAHZQRVCDUTQV-DTWKUNHWSA-N 1 2 217.265 -0.369 20 0 BBADLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1CCO ZINC000330720908 386868099 /nfs/dbraw/zinc/86/80/99/386868099.db2.gz BRAHZQRVCDUTQV-IUCAKERBSA-N 1 2 217.265 -0.369 20 0 BBADLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1CCO ZINC000330720908 386868097 /nfs/dbraw/zinc/86/80/97/386868097.db2.gz BRAHZQRVCDUTQV-IUCAKERBSA-N 1 2 217.265 -0.369 20 0 BBADLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1CCO ZINC000330720909 386867908 /nfs/dbraw/zinc/86/79/08/386867908.db2.gz BRAHZQRVCDUTQV-RKDXNWHRSA-N 1 2 217.265 -0.369 20 0 BBADLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1CCO ZINC000330720909 386867906 /nfs/dbraw/zinc/86/79/06/386867906.db2.gz BRAHZQRVCDUTQV-RKDXNWHRSA-N 1 2 217.265 -0.369 20 0 BBADLO C[N@H+]1CCC[C@@H]1C(=O)NCCCS(C)(=O)=O ZINC000330746833 173024247 /nfs/dbraw/zinc/02/42/47/173024247.db2.gz WRDVDOYYERPJTM-SECBINFHSA-N 1 2 248.348 -0.369 20 0 BBADLO C[N@@H+]1CCC[C@@H]1C(=O)NCCCS(C)(=O)=O ZINC000330746833 173024246 /nfs/dbraw/zinc/02/42/46/173024246.db2.gz WRDVDOYYERPJTM-SECBINFHSA-N 1 2 248.348 -0.369 20 0 BBADLO C[N@H+]1CCC[C@H]1C(=O)NCCCS(C)(=O)=O ZINC000330746834 173050634 /nfs/dbraw/zinc/05/06/34/173050634.db2.gz WRDVDOYYERPJTM-VIFPVBQESA-N 1 2 248.348 -0.369 20 0 BBADLO C[N@@H+]1CCC[C@H]1C(=O)NCCCS(C)(=O)=O ZINC000330746834 173050632 /nfs/dbraw/zinc/05/06/32/173050632.db2.gz WRDVDOYYERPJTM-VIFPVBQESA-N 1 2 248.348 -0.369 20 0 BBADLO C[C@H](C(=O)NCc1[nH]cc[nH+]1)N1CCOCC1 ZINC000330748051 386877571 /nfs/dbraw/zinc/87/75/71/386877571.db2.gz ABKCSIXCLRAAEL-SECBINFHSA-N 1 2 238.291 -0.253 20 0 BBADLO C[C@@H](C(=O)NCc1[nH]cc[nH+]1)N1CCOCC1 ZINC000330748053 386877825 /nfs/dbraw/zinc/87/78/25/386877825.db2.gz ABKCSIXCLRAAEL-VIFPVBQESA-N 1 2 238.291 -0.253 20 0 BBADLO C[C@@H](C(=O)NC(C)(C)CCO)[NH+]1CCOCC1 ZINC000330754793 386880156 /nfs/dbraw/zinc/88/01/56/386880156.db2.gz YNJHYPWGOXCAQR-JTQLQIEISA-N 1 2 244.335 -0.016 20 0 BBADLO C[C@H](C(=O)NC(C)(C)CCO)[NH+]1CCOCC1 ZINC000330754794 386880178 /nfs/dbraw/zinc/88/01/78/386880178.db2.gz YNJHYPWGOXCAQR-SNVBAGLBSA-N 1 2 244.335 -0.016 20 0 BBADLO CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@@H](C)CO ZINC000330761835 386880192 /nfs/dbraw/zinc/88/01/92/386880192.db2.gz NPQUXODQRIRATF-QWRGUYRKSA-N 1 2 244.335 -0.016 20 0 BBADLO CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H](C)CO ZINC000330761835 386880191 /nfs/dbraw/zinc/88/01/91/386880191.db2.gz NPQUXODQRIRATF-QWRGUYRKSA-N 1 2 244.335 -0.016 20 0 BBADLO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)CO ZINC000330761836 386880042 /nfs/dbraw/zinc/88/00/42/386880042.db2.gz NPQUXODQRIRATF-WDEREUQCSA-N 1 2 244.335 -0.016 20 0 BBADLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)CO ZINC000330761836 386880041 /nfs/dbraw/zinc/88/00/41/386880041.db2.gz NPQUXODQRIRATF-WDEREUQCSA-N 1 2 244.335 -0.016 20 0 BBADLO CCOC[C@@H](O)C[N@H+]1CCNC(=O)[C@H]1C ZINC000330764935 386881341 /nfs/dbraw/zinc/88/13/41/386881341.db2.gz SJKNUHHXVMCGCP-BDAKNGLRSA-N 1 2 216.281 -0.796 20 0 BBADLO CCOC[C@@H](O)C[N@@H+]1CCNC(=O)[C@H]1C ZINC000330764935 386881337 /nfs/dbraw/zinc/88/13/37/386881337.db2.gz SJKNUHHXVMCGCP-BDAKNGLRSA-N 1 2 216.281 -0.796 20 0 BBADLO CCOC[C@H](O)C[N@H+]1CCNC(=O)[C@@H]1C ZINC000330764936 386882338 /nfs/dbraw/zinc/88/23/38/386882338.db2.gz SJKNUHHXVMCGCP-DTWKUNHWSA-N 1 2 216.281 -0.796 20 0 BBADLO CCOC[C@H](O)C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000330764936 386882330 /nfs/dbraw/zinc/88/23/30/386882330.db2.gz SJKNUHHXVMCGCP-DTWKUNHWSA-N 1 2 216.281 -0.796 20 0 BBADLO CCOC[C@@H](O)C[N@H+]1CCNC(=O)[C@@H]1C ZINC000330764937 386882069 /nfs/dbraw/zinc/88/20/69/386882069.db2.gz SJKNUHHXVMCGCP-IUCAKERBSA-N 1 2 216.281 -0.796 20 0 BBADLO CCOC[C@@H](O)C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000330764937 386882064 /nfs/dbraw/zinc/88/20/64/386882064.db2.gz SJKNUHHXVMCGCP-IUCAKERBSA-N 1 2 216.281 -0.796 20 0 BBADLO CCOC[C@H](O)C[N@H+]1CCNC(=O)[C@H]1C ZINC000330764938 386882170 /nfs/dbraw/zinc/88/21/70/386882170.db2.gz SJKNUHHXVMCGCP-RKDXNWHRSA-N 1 2 216.281 -0.796 20 0 BBADLO CCOC[C@H](O)C[N@@H+]1CCNC(=O)[C@H]1C ZINC000330764938 386882167 /nfs/dbraw/zinc/88/21/67/386882167.db2.gz SJKNUHHXVMCGCP-RKDXNWHRSA-N 1 2 216.281 -0.796 20 0 BBADLO COC(=O)[C@@H]1CC[N@@H+](CCO)[C@H](C(=O)OC)C1 ZINC000330781748 386759913 /nfs/dbraw/zinc/75/99/13/386759913.db2.gz OTRFTDHVCHFMDF-BDAKNGLRSA-N 1 2 245.275 -0.595 20 0 BBADLO COC(=O)[C@@H]1CC[N@H+](CCO)[C@H](C(=O)OC)C1 ZINC000330781748 386759909 /nfs/dbraw/zinc/75/99/09/386759909.db2.gz OTRFTDHVCHFMDF-BDAKNGLRSA-N 1 2 245.275 -0.595 20 0 BBADLO COC(=O)[C@H]1C[C@@H](C(=O)OC)CC[N@H+]1CCO ZINC000330781749 173816167 /nfs/dbraw/zinc/81/61/67/173816167.db2.gz OTRFTDHVCHFMDF-DTWKUNHWSA-N 1 2 245.275 -0.595 20 0 BBADLO COC(=O)[C@H]1C[C@@H](C(=O)OC)CC[N@@H+]1CCO ZINC000330781749 173816165 /nfs/dbraw/zinc/81/61/65/173816165.db2.gz OTRFTDHVCHFMDF-DTWKUNHWSA-N 1 2 245.275 -0.595 20 0 BBADLO COC(=O)[C@H]1CC[N@@H+](CCO)[C@H](C(=O)OC)C1 ZINC000330781750 386900408 /nfs/dbraw/zinc/90/04/08/386900408.db2.gz OTRFTDHVCHFMDF-IUCAKERBSA-N 1 2 245.275 -0.595 20 0 BBADLO COC(=O)[C@H]1CC[N@H+](CCO)[C@H](C(=O)OC)C1 ZINC000330781750 386900402 /nfs/dbraw/zinc/90/04/02/386900402.db2.gz OTRFTDHVCHFMDF-IUCAKERBSA-N 1 2 245.275 -0.595 20 0 BBADLO COC(=O)[C@@H]1CC[N@@H+](CCO)[C@@H](C(=O)OC)C1 ZINC000330781751 386902258 /nfs/dbraw/zinc/90/22/58/386902258.db2.gz OTRFTDHVCHFMDF-RKDXNWHRSA-N 1 2 245.275 -0.595 20 0 BBADLO COC(=O)[C@@H]1CC[N@H+](CCO)[C@@H](C(=O)OC)C1 ZINC000330781751 386902250 /nfs/dbraw/zinc/90/22/50/386902250.db2.gz OTRFTDHVCHFMDF-RKDXNWHRSA-N 1 2 245.275 -0.595 20 0 BBADLO C[C@H](O)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000330788800 386904157 /nfs/dbraw/zinc/90/41/57/386904157.db2.gz AODWVQFTCYBVDE-DCAQKATOSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@H](C(=O)N[C@@H](C)C[C@H](C)O)[NH+]1CCOCC1 ZINC000330788801 177000411 /nfs/dbraw/zinc/00/04/11/177000411.db2.gz AODWVQFTCYBVDE-GARJFASQSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@H](C[C@H](C)O)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000330789002 386904417 /nfs/dbraw/zinc/90/44/17/386904417.db2.gz AODWVQFTCYBVDE-OUAUKWLOSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@H](C[C@H](C)O)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000330789003 386904916 /nfs/dbraw/zinc/90/49/16/386904916.db2.gz AODWVQFTCYBVDE-VWYCJHECSA-N 1 2 244.335 -0.017 20 0 BBADLO CC[N@@H+](Cc1nnnn1C)CC(C)(C)O ZINC000330795630 353183052 /nfs/dbraw/zinc/18/30/52/353183052.db2.gz WYSQHPNLPYCFGH-UHFFFAOYSA-N 1 2 213.285 -0.197 20 0 BBADLO CC[N@H+](Cc1nnnn1C)CC(C)(C)O ZINC000330795630 353183050 /nfs/dbraw/zinc/18/30/50/353183050.db2.gz WYSQHPNLPYCFGH-UHFFFAOYSA-N 1 2 213.285 -0.197 20 0 BBADLO Cn1nnnc1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000330795830 386890091 /nfs/dbraw/zinc/89/00/91/386890091.db2.gz FGWFUQQWFMOUKS-SECBINFHSA-N 1 2 241.295 -0.817 20 0 BBADLO Cn1nnnc1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000330795830 386890088 /nfs/dbraw/zinc/89/00/88/386890088.db2.gz FGWFUQQWFMOUKS-SECBINFHSA-N 1 2 241.295 -0.817 20 0 BBADLO Cn1nnnc1C[N@H+]1CCC[C@H](OCCO)C1 ZINC000330795832 386889825 /nfs/dbraw/zinc/88/98/25/386889825.db2.gz FGWFUQQWFMOUKS-VIFPVBQESA-N 1 2 241.295 -0.817 20 0 BBADLO Cn1nnnc1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000330795832 386889822 /nfs/dbraw/zinc/88/98/22/386889822.db2.gz FGWFUQQWFMOUKS-VIFPVBQESA-N 1 2 241.295 -0.817 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CC(N)=O ZINC000330800518 386892897 /nfs/dbraw/zinc/89/28/97/386892897.db2.gz CSIMRTXIWKXJDN-MRVPVSSYSA-N 1 2 229.280 -0.251 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CC(N)=O ZINC000330800520 386892493 /nfs/dbraw/zinc/89/24/93/386892493.db2.gz CSIMRTXIWKXJDN-QMMMGPOBSA-N 1 2 229.280 -0.251 20 0 BBADLO COCC[NH+]1CCN(C[C@@](C)(O)C(C)=O)CC1 ZINC000330800835 174309708 /nfs/dbraw/zinc/30/97/08/174309708.db2.gz ACDJLJSBVIZCHB-GFCCVEGCSA-N 1 2 244.335 -0.410 20 0 BBADLO COCC[NH+]1CCN(C[C@](C)(O)C(C)=O)CC1 ZINC000330800836 174310774 /nfs/dbraw/zinc/31/07/74/174310774.db2.gz ACDJLJSBVIZCHB-LBPRGKRZSA-N 1 2 244.335 -0.410 20 0 BBADLO C[C@H](CNC(=O)CC(N)=O)[NH+]1CCOCC1 ZINC000330811660 386894856 /nfs/dbraw/zinc/89/48/56/386894856.db2.gz KLCKMLBGIGRDMB-MRVPVSSYSA-N 1 2 229.280 -0.251 20 0 BBADLO C[C@@H](CNC(=O)CC(N)=O)[NH+]1CCOCC1 ZINC000330811661 386894763 /nfs/dbraw/zinc/89/47/63/386894763.db2.gz KLCKMLBGIGRDMB-QMMMGPOBSA-N 1 2 229.280 -0.251 20 0 BBADLO COC[C@H]1C[N@@H+](C[C@@](C)(O)C(C)=O)CCO1 ZINC000330811812 387190796 /nfs/dbraw/zinc/19/07/96/387190796.db2.gz DXEZKKANEKIKCB-GHMZBOCLSA-N 1 2 231.292 -0.326 20 0 BBADLO COC[C@H]1C[N@H+](C[C@@](C)(O)C(C)=O)CCO1 ZINC000330811812 387190790 /nfs/dbraw/zinc/19/07/90/387190790.db2.gz DXEZKKANEKIKCB-GHMZBOCLSA-N 1 2 231.292 -0.326 20 0 BBADLO COC[C@H]1C[N@@H+](C[C@](C)(O)C(C)=O)CCO1 ZINC000330811813 386894659 /nfs/dbraw/zinc/89/46/59/386894659.db2.gz DXEZKKANEKIKCB-MNOVXSKESA-N 1 2 231.292 -0.326 20 0 BBADLO COC[C@H]1C[N@H+](C[C@](C)(O)C(C)=O)CCO1 ZINC000330811813 386894652 /nfs/dbraw/zinc/89/46/52/386894652.db2.gz DXEZKKANEKIKCB-MNOVXSKESA-N 1 2 231.292 -0.326 20 0 BBADLO COC[C@@H]1C[N@@H+](C[C@](C)(O)C(C)=O)CCO1 ZINC000330811814 386894552 /nfs/dbraw/zinc/89/45/52/386894552.db2.gz DXEZKKANEKIKCB-QWRGUYRKSA-N 1 2 231.292 -0.326 20 0 BBADLO COC[C@@H]1C[N@H+](C[C@](C)(O)C(C)=O)CCO1 ZINC000330811814 386894548 /nfs/dbraw/zinc/89/45/48/386894548.db2.gz DXEZKKANEKIKCB-QWRGUYRKSA-N 1 2 231.292 -0.326 20 0 BBADLO COC[C@@H]1C[N@@H+](C[C@@](C)(O)C(C)=O)CCO1 ZINC000330811815 386895286 /nfs/dbraw/zinc/89/52/86/386895286.db2.gz 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/nfs/dbraw/zinc/89/98/30/386899830.db2.gz IOIVHLHKPXTIRV-FWWHASMVSA-N 1 2 248.254 -0.142 20 0 BBADLO COC(=O)[C@](C)(O)C[N@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330829827 386899617 /nfs/dbraw/zinc/89/96/17/386899617.db2.gz IOIVHLHKPXTIRV-MATHAZKKSA-N 1 2 248.254 -0.142 20 0 BBADLO COC(=O)[C@](C)(O)C[N@@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330829827 386899612 /nfs/dbraw/zinc/89/96/12/386899612.db2.gz IOIVHLHKPXTIRV-MATHAZKKSA-N 1 2 248.254 -0.142 20 0 BBADLO CC(C)[N@H+](Cc1nn(C)c(=O)[nH]1)C[C@@H](C)O ZINC000330838870 386901310 /nfs/dbraw/zinc/90/13/10/386901310.db2.gz MOQYPZFVPNQCTM-MRVPVSSYSA-N 1 2 228.296 -0.300 20 0 BBADLO CC(C)[N@@H+](Cc1nn(C)c(=O)[nH]1)C[C@@H](C)O ZINC000330838870 386901306 /nfs/dbraw/zinc/90/13/06/386901306.db2.gz MOQYPZFVPNQCTM-MRVPVSSYSA-N 1 2 228.296 -0.300 20 0 BBADLO CN(CC[NH+]1CCOCC1)C(=O)CC(N)=O ZINC000330839565 386910221 /nfs/dbraw/zinc/91/02/21/386910221.db2.gz YUCRJJRYZKYYKF-UHFFFAOYSA-N 1 2 229.280 -0.298 20 0 BBADLO O=C(Cc1ccon1)NCC[NH+]1CCOCC1 ZINC000330841754 182057603 /nfs/dbraw/zinc/05/76/03/182057603.db2.gz ZZFDEMXNCVSDKK-UHFFFAOYSA-N 1 2 239.275 -0.335 20 0 BBADLO CN1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1=O ZINC000330850863 173121535 /nfs/dbraw/zinc/12/15/35/173121535.db2.gz LOPTVTHSORIKRX-SECBINFHSA-N 1 2 236.275 -0.380 20 0 BBADLO CN1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1=O ZINC000330850864 173150753 /nfs/dbraw/zinc/15/07/53/173150753.db2.gz LOPTVTHSORIKRX-VIFPVBQESA-N 1 2 236.275 -0.380 20 0 BBADLO COC(=O)[C@@H]1CCC[N@H+]1C[C@@](C)(O)C(=O)OC ZINC000330855199 386913992 /nfs/dbraw/zinc/91/39/92/386913992.db2.gz SFXUGPMCSJOKQV-GZMMTYOYSA-N 1 2 245.275 -0.452 20 0 BBADLO COC(=O)[C@@H]1CCC[N@@H+]1C[C@@](C)(O)C(=O)OC ZINC000330855199 386913988 /nfs/dbraw/zinc/91/39/88/386913988.db2.gz SFXUGPMCSJOKQV-GZMMTYOYSA-N 1 2 245.275 -0.452 20 0 BBADLO COC(=O)[C@H]1CCC[N@H+]1C[C@](C)(O)C(=O)OC ZINC000330855200 386912793 /nfs/dbraw/zinc/91/27/93/386912793.db2.gz SFXUGPMCSJOKQV-KCJUWKMLSA-N 1 2 245.275 -0.452 20 0 BBADLO COC(=O)[C@H]1CCC[N@@H+]1C[C@](C)(O)C(=O)OC ZINC000330855200 386912789 /nfs/dbraw/zinc/91/27/89/386912789.db2.gz SFXUGPMCSJOKQV-KCJUWKMLSA-N 1 2 245.275 -0.452 20 0 BBADLO COC(=O)[C@@H]1CCC[N@H+]1C[C@](C)(O)C(=O)OC ZINC000330855201 386913226 /nfs/dbraw/zinc/91/32/26/386913226.db2.gz SFXUGPMCSJOKQV-KWQFWETISA-N 1 2 245.275 -0.452 20 0 BBADLO COC(=O)[C@@H]1CCC[N@@H+]1C[C@](C)(O)C(=O)OC ZINC000330855201 386913221 /nfs/dbraw/zinc/91/32/21/386913221.db2.gz SFXUGPMCSJOKQV-KWQFWETISA-N 1 2 245.275 -0.452 20 0 BBADLO COC(=O)[C@H]1CCC[N@H+]1C[C@@](C)(O)C(=O)OC ZINC000330855202 386913354 /nfs/dbraw/zinc/91/33/54/386913354.db2.gz SFXUGPMCSJOKQV-LDYMZIIASA-N 1 2 245.275 -0.452 20 0 BBADLO COC(=O)[C@H]1CCC[N@@H+]1C[C@@](C)(O)C(=O)OC ZINC000330855202 386913350 /nfs/dbraw/zinc/91/33/50/386913350.db2.gz SFXUGPMCSJOKQV-LDYMZIIASA-N 1 2 245.275 -0.452 20 0 BBADLO CN(C[C@H](O)CO)C(=O)CCn1cc[nH+]c1 ZINC000330859132 386903647 /nfs/dbraw/zinc/90/36/47/386903647.db2.gz JZXMTAQHEBMXFN-VIFPVBQESA-N 1 2 227.264 -0.915 20 0 BBADLO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1nccc(N)n1 ZINC000330864806 411906457 /nfs/dbraw/zinc/90/64/57/411906457.db2.gz UQCWJLUVXCQBRP-GMSGAONNSA-N 1 2 235.291 -0.327 20 0 BBADLO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1nccc(N)n1 ZINC000330864808 411929836 /nfs/dbraw/zinc/92/98/36/411929836.db2.gz UQCWJLUVXCQBRP-OIBJUYFYSA-N 1 2 235.291 -0.327 20 0 BBADLO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1nccc(N)n1 ZINC000330864810 411907736 /nfs/dbraw/zinc/90/77/36/411907736.db2.gz UQCWJLUVXCQBRP-XCBNKYQSSA-N 1 2 235.291 -0.327 20 0 BBADLO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1nccc(N)n1 ZINC000330864811 411930819 /nfs/dbraw/zinc/93/08/19/411930819.db2.gz UQCWJLUVXCQBRP-XVKPBYJWSA-N 1 2 235.291 -0.327 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@@H+](C)Cc1cc[nH]n1 ZINC000330866005 386770571 /nfs/dbraw/zinc/77/05/71/386770571.db2.gz ZFXROGILXKKPLU-JTQLQIEISA-N 1 2 227.264 -0.235 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@H+](C)Cc1cc[nH]n1 ZINC000330866005 386770564 /nfs/dbraw/zinc/77/05/64/386770564.db2.gz ZFXROGILXKKPLU-JTQLQIEISA-N 1 2 227.264 -0.235 20 0 BBADLO COC(=O)[C@](C)(O)C[N@@H+](C)Cc1cc[nH]n1 ZINC000330866006 386907181 /nfs/dbraw/zinc/90/71/81/386907181.db2.gz ZFXROGILXKKPLU-SNVBAGLBSA-N 1 2 227.264 -0.235 20 0 BBADLO COC(=O)[C@](C)(O)C[N@H+](C)Cc1cc[nH]n1 ZINC000330866006 386907178 /nfs/dbraw/zinc/90/71/78/386907178.db2.gz ZFXROGILXKKPLU-SNVBAGLBSA-N 1 2 227.264 -0.235 20 0 BBADLO CCCNC(=O)C[N@H+]1CCSC[C@H]1CO ZINC000330866053 169222123 /nfs/dbraw/zinc/22/21/23/169222123.db2.gz ZHGUVKPRUTXGMM-SECBINFHSA-N 1 2 232.349 -0.078 20 0 BBADLO CCCNC(=O)C[N@@H+]1CCSC[C@H]1CO ZINC000330866053 169222121 /nfs/dbraw/zinc/22/21/21/169222121.db2.gz ZHGUVKPRUTXGMM-SECBINFHSA-N 1 2 232.349 -0.078 20 0 BBADLO CCCNC(=O)C[N@H+]1CCSC[C@@H]1CO ZINC000330866055 169222568 /nfs/dbraw/zinc/22/25/68/169222568.db2.gz ZHGUVKPRUTXGMM-VIFPVBQESA-N 1 2 232.349 -0.078 20 0 BBADLO CCCNC(=O)C[N@@H+]1CCSC[C@@H]1CO ZINC000330866055 169222566 /nfs/dbraw/zinc/22/25/66/169222566.db2.gz ZHGUVKPRUTXGMM-VIFPVBQESA-N 1 2 232.349 -0.078 20 0 BBADLO Cc1noc(C[N@H+](C[C@@H](C)O)[C@H](C)CO)n1 ZINC000330866710 386907153 /nfs/dbraw/zinc/90/71/53/386907153.db2.gz VINZOYYSSGQMCO-HTQZYQBOSA-N 1 2 229.280 -0.058 20 0 BBADLO Cc1noc(C[N@@H+](C[C@@H](C)O)[C@H](C)CO)n1 ZINC000330866710 386907149 /nfs/dbraw/zinc/90/71/49/386907149.db2.gz VINZOYYSSGQMCO-HTQZYQBOSA-N 1 2 229.280 -0.058 20 0 BBADLO Cc1noc(C[N@H+](C[C@@H](C)O)[C@@H](C)CO)n1 ZINC000330866711 386905765 /nfs/dbraw/zinc/90/57/65/386905765.db2.gz VINZOYYSSGQMCO-JGVFFNPUSA-N 1 2 229.280 -0.058 20 0 BBADLO Cc1noc(C[N@@H+](C[C@@H](C)O)[C@@H](C)CO)n1 ZINC000330866711 386905761 /nfs/dbraw/zinc/90/57/61/386905761.db2.gz VINZOYYSSGQMCO-JGVFFNPUSA-N 1 2 229.280 -0.058 20 0 BBADLO Cc1noc(C[N@H+](C[C@H](C)O)[C@H](C)CO)n1 ZINC000330866712 386906950 /nfs/dbraw/zinc/90/69/50/386906950.db2.gz VINZOYYSSGQMCO-SFYZADRCSA-N 1 2 229.280 -0.058 20 0 BBADLO Cc1noc(C[N@@H+](C[C@H](C)O)[C@H](C)CO)n1 ZINC000330866712 386906947 /nfs/dbraw/zinc/90/69/47/386906947.db2.gz VINZOYYSSGQMCO-SFYZADRCSA-N 1 2 229.280 -0.058 20 0 BBADLO Cc1noc(C[N@H+](C[C@H](C)O)[C@@H](C)CO)n1 ZINC000330866713 386905896 /nfs/dbraw/zinc/90/58/96/386905896.db2.gz VINZOYYSSGQMCO-YUMQZZPRSA-N 1 2 229.280 -0.058 20 0 BBADLO Cc1noc(C[N@@H+](C[C@H](C)O)[C@@H](C)CO)n1 ZINC000330866713 386905890 /nfs/dbraw/zinc/90/58/90/386905890.db2.gz VINZOYYSSGQMCO-YUMQZZPRSA-N 1 2 229.280 -0.058 20 0 BBADLO COC(=O)[C@@H]1C[N@@H+](C[C@@](C)(O)C(C)=O)CCO1 ZINC000330872633 386905428 /nfs/dbraw/zinc/90/54/28/386905428.db2.gz UTVATNMBHHLGAR-GXSJLCMTSA-N 1 2 245.275 -0.800 20 0 BBADLO COC(=O)[C@@H]1C[N@H+](C[C@@](C)(O)C(C)=O)CCO1 ZINC000330872633 386905426 /nfs/dbraw/zinc/90/54/26/386905426.db2.gz UTVATNMBHHLGAR-GXSJLCMTSA-N 1 2 245.275 -0.800 20 0 BBADLO COC(=O)[C@H]1C[N@@H+](C[C@](C)(O)C(C)=O)CCO1 ZINC000330872634 386906697 /nfs/dbraw/zinc/90/66/97/386906697.db2.gz UTVATNMBHHLGAR-KOLCDFICSA-N 1 2 245.275 -0.800 20 0 BBADLO COC(=O)[C@H]1C[N@H+](C[C@](C)(O)C(C)=O)CCO1 ZINC000330872634 386906691 /nfs/dbraw/zinc/90/66/91/386906691.db2.gz UTVATNMBHHLGAR-KOLCDFICSA-N 1 2 245.275 -0.800 20 0 BBADLO COC(=O)[C@H]1C[N@@H+](C[C@@](C)(O)C(C)=O)CCO1 ZINC000330872635 386906875 /nfs/dbraw/zinc/90/68/75/386906875.db2.gz UTVATNMBHHLGAR-MWLCHTKSSA-N 1 2 245.275 -0.800 20 0 BBADLO COC(=O)[C@H]1C[N@H+](C[C@@](C)(O)C(C)=O)CCO1 ZINC000330872635 386906870 /nfs/dbraw/zinc/90/68/70/386906870.db2.gz UTVATNMBHHLGAR-MWLCHTKSSA-N 1 2 245.275 -0.800 20 0 BBADLO COC(=O)[C@@H]1C[N@@H+](C[C@](C)(O)C(C)=O)CCO1 ZINC000330872636 386906933 /nfs/dbraw/zinc/90/69/33/386906933.db2.gz UTVATNMBHHLGAR-ONGXEEELSA-N 1 2 245.275 -0.800 20 0 BBADLO COC(=O)[C@@H]1C[N@H+](C[C@](C)(O)C(C)=O)CCO1 ZINC000330872636 386906929 /nfs/dbraw/zinc/90/69/29/386906929.db2.gz UTVATNMBHHLGAR-ONGXEEELSA-N 1 2 245.275 -0.800 20 0 BBADLO COCCC[N@H+]1CCN2C(=O)N=NC2C1 ZINC000330875856 174234353 /nfs/dbraw/zinc/23/43/53/174234353.db2.gz JKXIINATYRVREO-UHFFFAOYSA-N 1 2 212.253 -0.164 20 0 BBADLO COCCC[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000330875856 174234351 /nfs/dbraw/zinc/23/43/51/174234351.db2.gz JKXIINATYRVREO-UHFFFAOYSA-N 1 2 212.253 -0.164 20 0 BBADLO CO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1OC ZINC000330887560 387238642 /nfs/dbraw/zinc/23/86/42/387238642.db2.gz HISMVNVMLIMFBN-NXEZZACHSA-N 1 2 239.275 -0.245 20 0 BBADLO CO[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1OC ZINC000330887561 386909302 /nfs/dbraw/zinc/90/93/02/386909302.db2.gz HISMVNVMLIMFBN-UWVGGRQHSA-N 1 2 239.275 -0.245 20 0 BBADLO O=C(CCn1cc[nH+]c1)N[C@H]1CNC(=O)C1 ZINC000330897199 386923327 /nfs/dbraw/zinc/92/33/27/386923327.db2.gz TZYPYNNYFVHUNO-MRVPVSSYSA-N 1 2 222.248 -0.722 20 0 BBADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CNC(=O)C1 ZINC000330897200 386922493 /nfs/dbraw/zinc/92/24/93/386922493.db2.gz TZYPYNNYFVHUNO-QMMMGPOBSA-N 1 2 222.248 -0.722 20 0 BBADLO COC(=O)C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000330903365 386920719 /nfs/dbraw/zinc/92/07/19/386920719.db2.gz QDMSWRHTAANSJM-SECBINFHSA-N 1 2 203.238 -0.757 20 0 BBADLO COC(=O)C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000330903365 386920718 /nfs/dbraw/zinc/92/07/18/386920718.db2.gz QDMSWRHTAANSJM-SECBINFHSA-N 1 2 203.238 -0.757 20 0 BBADLO COC(=O)C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000330903366 386920611 /nfs/dbraw/zinc/92/06/11/386920611.db2.gz QDMSWRHTAANSJM-VIFPVBQESA-N 1 2 203.238 -0.757 20 0 BBADLO COC(=O)C[N@H+](C)[C@]1(CO)CCOC1 ZINC000330903366 386920606 /nfs/dbraw/zinc/92/06/06/386920606.db2.gz QDMSWRHTAANSJM-VIFPVBQESA-N 1 2 203.238 -0.757 20 0 BBADLO C[C@H](C(=O)NCCC(N)=O)[NH+]1CCOCC1 ZINC000330927711 386934684 /nfs/dbraw/zinc/93/46/84/386934684.db2.gz KSWOVQXBVSMKBU-MRVPVSSYSA-N 1 2 229.280 -0.251 20 0 BBADLO C[C@@H](C(=O)NCCC(N)=O)[NH+]1CCOCC1 ZINC000330927712 386934278 /nfs/dbraw/zinc/93/42/78/386934278.db2.gz KSWOVQXBVSMKBU-QMMMGPOBSA-N 1 2 229.280 -0.251 20 0 BBADLO C[C@@H](O)CCN(C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000330929234 386933627 /nfs/dbraw/zinc/93/36/27/386933627.db2.gz MXHQEZMCDBCNSI-GHMZBOCLSA-N 1 2 244.335 -0.064 20 0 BBADLO C[C@@H](O)CCN(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000330929235 386934378 /nfs/dbraw/zinc/93/43/78/386934378.db2.gz MXHQEZMCDBCNSI-MNOVXSKESA-N 1 2 244.335 -0.064 20 0 BBADLO C[C@H](O)CCN(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000330929236 386934117 /nfs/dbraw/zinc/93/41/17/386934117.db2.gz MXHQEZMCDBCNSI-QWRGUYRKSA-N 1 2 244.335 -0.064 20 0 BBADLO C[C@H](C(=O)N(C)CC[C@H](C)O)[NH+]1CCOCC1 ZINC000330929237 386775422 /nfs/dbraw/zinc/77/54/22/386775422.db2.gz MXHQEZMCDBCNSI-WDEREUQCSA-N 1 2 244.335 -0.064 20 0 BBADLO CC[S@](=O)CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000330937381 386924979 /nfs/dbraw/zinc/92/49/79/386924979.db2.gz AJNQCCGNQXATJU-ABKXIKBNSA-N 1 2 248.348 -0.798 20 0 BBADLO CC[S@](=O)CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000330937381 386924972 /nfs/dbraw/zinc/92/49/72/386924972.db2.gz AJNQCCGNQXATJU-ABKXIKBNSA-N 1 2 248.348 -0.798 20 0 BBADLO CC[S@](=O)CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000330937382 386925730 /nfs/dbraw/zinc/92/57/30/386925730.db2.gz AJNQCCGNQXATJU-FVMDXXJSSA-N 1 2 248.348 -0.798 20 0 BBADLO CC[S@](=O)CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000330937382 386925725 /nfs/dbraw/zinc/92/57/25/386925725.db2.gz AJNQCCGNQXATJU-FVMDXXJSSA-N 1 2 248.348 -0.798 20 0 BBADLO CC[S@@](=O)CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000330937383 386924900 /nfs/dbraw/zinc/92/49/00/386924900.db2.gz AJNQCCGNQXATJU-JDNHERCYSA-N 1 2 248.348 -0.798 20 0 BBADLO CC[S@@](=O)CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000330937383 386924895 /nfs/dbraw/zinc/92/48/95/386924895.db2.gz AJNQCCGNQXATJU-JDNHERCYSA-N 1 2 248.348 -0.798 20 0 BBADLO CC[S@@](=O)CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000330937384 386925030 /nfs/dbraw/zinc/92/50/30/386925030.db2.gz AJNQCCGNQXATJU-XXFAHNHDSA-N 1 2 248.348 -0.798 20 0 BBADLO CC[S@@](=O)CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000330937384 386925024 /nfs/dbraw/zinc/92/50/24/386925024.db2.gz AJNQCCGNQXATJU-XXFAHNHDSA-N 1 2 248.348 -0.798 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CC(C)(C)O ZINC000330960504 386929515 /nfs/dbraw/zinc/92/95/15/386929515.db2.gz FGHCPJHKVLOMDU-JTQLQIEISA-N 1 2 244.335 -0.016 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CC(C)(C)O ZINC000330960505 386930277 /nfs/dbraw/zinc/93/02/77/386930277.db2.gz FGHCPJHKVLOMDU-SNVBAGLBSA-N 1 2 244.335 -0.016 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)CC(N)=O ZINC000330961740 176336213 /nfs/dbraw/zinc/33/62/13/176336213.db2.gz PUMGKGICVOHDDI-MRVPVSSYSA-N 1 2 229.280 -0.251 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CC(N)=O ZINC000330961740 176336211 /nfs/dbraw/zinc/33/62/11/176336211.db2.gz PUMGKGICVOHDDI-MRVPVSSYSA-N 1 2 229.280 -0.251 20 0 BBADLO C[C@H]1COCC[N@H+]1CCNC(=O)CC(N)=O ZINC000330961745 177291135 /nfs/dbraw/zinc/29/11/35/177291135.db2.gz PUMGKGICVOHDDI-QMMMGPOBSA-N 1 2 229.280 -0.251 20 0 BBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)CC(N)=O ZINC000330961745 177291133 /nfs/dbraw/zinc/29/11/33/177291133.db2.gz PUMGKGICVOHDDI-QMMMGPOBSA-N 1 2 229.280 -0.251 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)NCCC[S@](C)=O)C1 ZINC000330966573 173099824 /nfs/dbraw/zinc/09/98/24/173099824.db2.gz RNXZKCMRSVYVRN-ABKXIKBNSA-N 1 2 248.348 -0.798 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)NCCC[S@](C)=O)C1 ZINC000330966573 173099823 /nfs/dbraw/zinc/09/98/23/173099823.db2.gz RNXZKCMRSVYVRN-ABKXIKBNSA-N 1 2 248.348 -0.798 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)NCCC[S@](C)=O)C1 ZINC000330966574 173107746 /nfs/dbraw/zinc/10/77/46/173107746.db2.gz RNXZKCMRSVYVRN-FVMDXXJSSA-N 1 2 248.348 -0.798 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)NCCC[S@](C)=O)C1 ZINC000330966574 173107745 /nfs/dbraw/zinc/10/77/45/173107745.db2.gz RNXZKCMRSVYVRN-FVMDXXJSSA-N 1 2 248.348 -0.798 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)NCCC[S@@](C)=O)C1 ZINC000330966575 173101051 /nfs/dbraw/zinc/10/10/51/173101051.db2.gz RNXZKCMRSVYVRN-JDNHERCYSA-N 1 2 248.348 -0.798 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)NCCC[S@@](C)=O)C1 ZINC000330966575 173101050 /nfs/dbraw/zinc/10/10/50/173101050.db2.gz RNXZKCMRSVYVRN-JDNHERCYSA-N 1 2 248.348 -0.798 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)NCCC[S@@](C)=O)C1 ZINC000330966576 173106614 /nfs/dbraw/zinc/10/66/14/173106614.db2.gz RNXZKCMRSVYVRN-XXFAHNHDSA-N 1 2 248.348 -0.798 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)NCCC[S@@](C)=O)C1 ZINC000330966576 173106612 /nfs/dbraw/zinc/10/66/12/173106612.db2.gz RNXZKCMRSVYVRN-XXFAHNHDSA-N 1 2 248.348 -0.798 20 0 BBADLO Cc1nc(=NC(=O)CCc2[nH]cc[nH+]2)n(C)[nH]1 ZINC000330969994 386931640 /nfs/dbraw/zinc/93/16/40/386931640.db2.gz FEDONBOKWOLELL-UHFFFAOYSA-N 1 2 234.263 -0.160 20 0 BBADLO CC(C)OCC[C@@H](O)C[N@H+]1CCNC(=O)[C@H]1C ZINC000330971390 167251023 /nfs/dbraw/zinc/25/10/23/167251023.db2.gz CRAFUUIPWNDRED-GHMZBOCLSA-N 1 2 244.335 -0.017 20 0 BBADLO CC(C)OCC[C@@H](O)C[N@@H+]1CCNC(=O)[C@H]1C ZINC000330971390 167251020 /nfs/dbraw/zinc/25/10/20/167251020.db2.gz CRAFUUIPWNDRED-GHMZBOCLSA-N 1 2 244.335 -0.017 20 0 BBADLO CC(C)OCC[C@H](O)C[N@H+]1CCNC(=O)[C@H]1C ZINC000330971391 167252295 /nfs/dbraw/zinc/25/22/95/167252295.db2.gz CRAFUUIPWNDRED-MNOVXSKESA-N 1 2 244.335 -0.017 20 0 BBADLO CC(C)OCC[C@H](O)C[N@@H+]1CCNC(=O)[C@H]1C ZINC000330971391 167252292 /nfs/dbraw/zinc/25/22/92/167252292.db2.gz CRAFUUIPWNDRED-MNOVXSKESA-N 1 2 244.335 -0.017 20 0 BBADLO CC(C)OCC[C@H](O)C[N@H+]1CCNC(=O)[C@@H]1C ZINC000330971392 167252213 /nfs/dbraw/zinc/25/22/13/167252213.db2.gz CRAFUUIPWNDRED-QWRGUYRKSA-N 1 2 244.335 -0.017 20 0 BBADLO CC(C)OCC[C@H](O)C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000330971392 167252209 /nfs/dbraw/zinc/25/22/09/167252209.db2.gz CRAFUUIPWNDRED-QWRGUYRKSA-N 1 2 244.335 -0.017 20 0 BBADLO CC(C)OCC[C@@H](O)C[N@H+]1CCNC(=O)[C@@H]1C ZINC000330971393 167251746 /nfs/dbraw/zinc/25/17/46/167251746.db2.gz CRAFUUIPWNDRED-WDEREUQCSA-N 1 2 244.335 -0.017 20 0 BBADLO CC(C)OCC[C@@H](O)C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000330971393 167251742 /nfs/dbraw/zinc/25/17/42/167251742.db2.gz CRAFUUIPWNDRED-WDEREUQCSA-N 1 2 244.335 -0.017 20 0 BBADLO CC[N@@H+](CCCO)[C@H](C)c1nnnn1C ZINC000330971805 386932383 /nfs/dbraw/zinc/93/23/83/386932383.db2.gz SDXSUKYYLYVSLA-MRVPVSSYSA-N 1 2 213.285 -0.025 20 0 BBADLO CC[N@H+](CCCO)[C@H](C)c1nnnn1C ZINC000330971805 386932380 /nfs/dbraw/zinc/93/23/80/386932380.db2.gz SDXSUKYYLYVSLA-MRVPVSSYSA-N 1 2 213.285 -0.025 20 0 BBADLO CC[N@@H+](CCCO)[C@@H](C)c1nnnn1C ZINC000330971807 386931998 /nfs/dbraw/zinc/93/19/98/386931998.db2.gz SDXSUKYYLYVSLA-QMMMGPOBSA-N 1 2 213.285 -0.025 20 0 BBADLO CC[N@H+](CCCO)[C@@H](C)c1nnnn1C ZINC000330971807 386931995 /nfs/dbraw/zinc/93/19/95/386931995.db2.gz SDXSUKYYLYVSLA-QMMMGPOBSA-N 1 2 213.285 -0.025 20 0 BBADLO C[C@H](C(=O)N(C)CCCCO)[NH+]1CCOCC1 ZINC000330979869 386939218 /nfs/dbraw/zinc/93/92/18/386939218.db2.gz DPNPNBDOUUOUQS-LLVKDONJSA-N 1 2 244.335 -0.062 20 0 BBADLO C[C@@H](C(=O)N(C)CCCCO)[NH+]1CCOCC1 ZINC000330979871 386938024 /nfs/dbraw/zinc/93/80/24/386938024.db2.gz DPNPNBDOUUOUQS-NSHDSACASA-N 1 2 244.335 -0.062 20 0 BBADLO CC(C)OCC[C@H](O)C[N@H+]1CCNC(=O)C1 ZINC000330982587 167253094 /nfs/dbraw/zinc/25/30/94/167253094.db2.gz OOKAZDBQDNWDDX-JTQLQIEISA-N 1 2 230.308 -0.406 20 0 BBADLO CC(C)OCC[C@H](O)C[N@@H+]1CCNC(=O)C1 ZINC000330982587 167253089 /nfs/dbraw/zinc/25/30/89/167253089.db2.gz OOKAZDBQDNWDDX-JTQLQIEISA-N 1 2 230.308 -0.406 20 0 BBADLO CC(C)OCC[C@@H](O)C[N@H+]1CCNC(=O)C1 ZINC000330982588 167251039 /nfs/dbraw/zinc/25/10/39/167251039.db2.gz OOKAZDBQDNWDDX-SNVBAGLBSA-N 1 2 230.308 -0.406 20 0 BBADLO CC(C)OCC[C@@H](O)C[N@@H+]1CCNC(=O)C1 ZINC000330982588 167251037 /nfs/dbraw/zinc/25/10/37/167251037.db2.gz OOKAZDBQDNWDDX-SNVBAGLBSA-N 1 2 230.308 -0.406 20 0 BBADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1C[C@H](O)CSC ZINC000330983347 386779803 /nfs/dbraw/zinc/77/98/03/386779803.db2.gz FMIHZKZVTQETHM-CIUDSAMLSA-N 1 2 249.332 -0.682 20 0 BBADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1C[C@H](O)CSC ZINC000330983347 386779798 /nfs/dbraw/zinc/77/97/98/386779798.db2.gz FMIHZKZVTQETHM-CIUDSAMLSA-N 1 2 249.332 -0.682 20 0 BBADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H](O)CSC ZINC000330983348 386778758 /nfs/dbraw/zinc/77/87/58/386778758.db2.gz FMIHZKZVTQETHM-HLTSFMKQSA-N 1 2 249.332 -0.682 20 0 BBADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)CSC ZINC000330983348 386778755 /nfs/dbraw/zinc/77/87/55/386778755.db2.gz FMIHZKZVTQETHM-HLTSFMKQSA-N 1 2 249.332 -0.682 20 0 BBADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@H](O)CSC ZINC000330983349 386778670 /nfs/dbraw/zinc/77/86/70/386778670.db2.gz FMIHZKZVTQETHM-VGMNWLOBSA-N 1 2 249.332 -0.682 20 0 BBADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)CSC ZINC000330983349 386778664 /nfs/dbraw/zinc/77/86/64/386778664.db2.gz FMIHZKZVTQETHM-VGMNWLOBSA-N 1 2 249.332 -0.682 20 0 BBADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1C[C@@H](O)CSC ZINC000330983350 386778504 /nfs/dbraw/zinc/77/85/04/386778504.db2.gz FMIHZKZVTQETHM-YIZRAAEISA-N 1 2 249.332 -0.682 20 0 BBADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H](O)CSC ZINC000330983350 386778496 /nfs/dbraw/zinc/77/84/96/386778496.db2.gz FMIHZKZVTQETHM-YIZRAAEISA-N 1 2 249.332 -0.682 20 0 BBADLO CC(C)(O)CC(=O)NCC[NH+]1CCOCC1 ZINC000330989362 188046937 /nfs/dbraw/zinc/04/69/37/188046937.db2.gz RFTQUELPOUIGLH-UHFFFAOYSA-N 1 2 230.308 -0.404 20 0 BBADLO CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@H](C)O ZINC000330994724 187358502 /nfs/dbraw/zinc/35/85/02/187358502.db2.gz UGCSYBYKUDVHCA-GHMZBOCLSA-N 1 2 244.335 -0.016 20 0 BBADLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@@H](C)O ZINC000330994724 187358500 /nfs/dbraw/zinc/35/85/00/187358500.db2.gz UGCSYBYKUDVHCA-GHMZBOCLSA-N 1 2 244.335 -0.016 20 0 BBADLO CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@H](C)O ZINC000330994725 188220564 /nfs/dbraw/zinc/22/05/64/188220564.db2.gz UGCSYBYKUDVHCA-MNOVXSKESA-N 1 2 244.335 -0.016 20 0 BBADLO CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@@H](C)O ZINC000330994725 188220562 /nfs/dbraw/zinc/22/05/62/188220562.db2.gz UGCSYBYKUDVHCA-MNOVXSKESA-N 1 2 244.335 -0.016 20 0 BBADLO CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@H](C)O ZINC000330994726 386943513 /nfs/dbraw/zinc/94/35/13/386943513.db2.gz UGCSYBYKUDVHCA-QWRGUYRKSA-N 1 2 244.335 -0.016 20 0 BBADLO CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@H](C)O ZINC000330994726 386943509 /nfs/dbraw/zinc/94/35/09/386943509.db2.gz UGCSYBYKUDVHCA-QWRGUYRKSA-N 1 2 244.335 -0.016 20 0 BBADLO CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@H](C)O ZINC000330994727 187358138 /nfs/dbraw/zinc/35/81/38/187358138.db2.gz UGCSYBYKUDVHCA-WDEREUQCSA-N 1 2 244.335 -0.016 20 0 BBADLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@H](C)O ZINC000330994727 187358136 /nfs/dbraw/zinc/35/81/36/187358136.db2.gz UGCSYBYKUDVHCA-WDEREUQCSA-N 1 2 244.335 -0.016 20 0 BBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CC(=O)N(C)C ZINC000330994845 386941948 /nfs/dbraw/zinc/94/19/48/386941948.db2.gz SXIXANFSDCONTA-SECBINFHSA-N 1 2 238.291 -0.134 20 0 BBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CC(=O)N(C)C ZINC000330994846 175782323 /nfs/dbraw/zinc/78/23/23/175782323.db2.gz SXIXANFSDCONTA-VIFPVBQESA-N 1 2 238.291 -0.134 20 0 BBADLO C[C@@H](CNC(=O)CC(C)(C)O)[NH+]1CCOCC1 ZINC000330999745 398319824 /nfs/dbraw/zinc/31/98/24/398319824.db2.gz WIRXNEMXROKLCE-JTQLQIEISA-N 1 2 244.335 -0.016 20 0 BBADLO C[C@H](CNC(=O)CC(C)(C)O)[NH+]1CCOCC1 ZINC000330999747 386942866 /nfs/dbraw/zinc/94/28/66/386942866.db2.gz WIRXNEMXROKLCE-SNVBAGLBSA-N 1 2 244.335 -0.016 20 0 BBADLO C[C@H]1COCC[N@H+]1CCNC(=O)CC(C)(C)O ZINC000331003175 177290665 /nfs/dbraw/zinc/29/06/65/177290665.db2.gz OUWGKTPSJUVVME-JTQLQIEISA-N 1 2 244.335 -0.016 20 0 BBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)CC(C)(C)O ZINC000331003175 177290664 /nfs/dbraw/zinc/29/06/64/177290664.db2.gz OUWGKTPSJUVVME-JTQLQIEISA-N 1 2 244.335 -0.016 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)CC(C)(C)O ZINC000331003176 176336458 /nfs/dbraw/zinc/33/64/58/176336458.db2.gz OUWGKTPSJUVVME-SNVBAGLBSA-N 1 2 244.335 -0.016 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CC(C)(C)O ZINC000331003176 176336456 /nfs/dbraw/zinc/33/64/56/176336456.db2.gz OUWGKTPSJUVVME-SNVBAGLBSA-N 1 2 244.335 -0.016 20 0 BBADLO CC(C)[C@@](C)(O)C(=O)NCC[NH+]1CCOCC1 ZINC000331006210 187870114 /nfs/dbraw/zinc/87/01/14/187870114.db2.gz PXPRYJBHEUFUPA-GFCCVEGCSA-N 1 2 244.335 -0.158 20 0 BBADLO CC(C)[C@](C)(O)C(=O)NCC[NH+]1CCOCC1 ZINC000331006211 386944186 /nfs/dbraw/zinc/94/41/86/386944186.db2.gz PXPRYJBHEUFUPA-LBPRGKRZSA-N 1 2 244.335 -0.158 20 0 BBADLO CN(CC[NH+]1CCOCC1)C(=O)CC(C)(C)O ZINC000331009919 386944866 /nfs/dbraw/zinc/94/48/66/386944866.db2.gz RPDMOACXYHNUMJ-UHFFFAOYSA-N 1 2 244.335 -0.062 20 0 BBADLO CC[N@@H+](CCN1CCCS1(=O)=O)CC(N)=O ZINC000331057206 386952692 /nfs/dbraw/zinc/95/26/92/386952692.db2.gz LVIUQYRKZSREMU-UHFFFAOYSA-N 1 2 249.336 -0.121 20 0 BBADLO CC[N@H+](CCN1CCCS1(=O)=O)CC(N)=O ZINC000331057206 386952687 /nfs/dbraw/zinc/95/26/87/386952687.db2.gz LVIUQYRKZSREMU-UHFFFAOYSA-N 1 2 249.336 -0.121 20 0 BBADLO CCOC(=O)[C@](C)(O)C[N@H+]1CCNC(=O)[C@@H]1C ZINC000331067578 170283976 /nfs/dbraw/zinc/28/39/76/170283976.db2.gz RNJWZRCKIOLFRM-GZMMTYOYSA-N 1 2 244.291 -0.879 20 0 BBADLO CCOC(=O)[C@](C)(O)C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000331067578 170283974 /nfs/dbraw/zinc/28/39/74/170283974.db2.gz RNJWZRCKIOLFRM-GZMMTYOYSA-N 1 2 244.291 -0.879 20 0 BBADLO CCOC(=O)[C@@](C)(O)C[N@H+]1CCNC(=O)[C@H]1C ZINC000331067581 170261003 /nfs/dbraw/zinc/26/10/03/170261003.db2.gz RNJWZRCKIOLFRM-KCJUWKMLSA-N 1 2 244.291 -0.879 20 0 BBADLO CCOC(=O)[C@@](C)(O)C[N@@H+]1CCNC(=O)[C@H]1C ZINC000331067581 170261001 /nfs/dbraw/zinc/26/10/01/170261001.db2.gz RNJWZRCKIOLFRM-KCJUWKMLSA-N 1 2 244.291 -0.879 20 0 BBADLO CCOC(=O)[C@@](C)(O)C[N@H+]1CCNC(=O)[C@@H]1C ZINC000331067583 170261543 /nfs/dbraw/zinc/26/15/43/170261543.db2.gz RNJWZRCKIOLFRM-KWQFWETISA-N 1 2 244.291 -0.879 20 0 BBADLO CCOC(=O)[C@@](C)(O)C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000331067583 170261541 /nfs/dbraw/zinc/26/15/41/170261541.db2.gz RNJWZRCKIOLFRM-KWQFWETISA-N 1 2 244.291 -0.879 20 0 BBADLO CCOC(=O)[C@](C)(O)C[N@H+]1CCNC(=O)[C@H]1C ZINC000331067584 170285006 /nfs/dbraw/zinc/28/50/06/170285006.db2.gz RNJWZRCKIOLFRM-LDYMZIIASA-N 1 2 244.291 -0.879 20 0 BBADLO CCOC(=O)[C@](C)(O)C[N@@H+]1CCNC(=O)[C@H]1C ZINC000331067584 170285005 /nfs/dbraw/zinc/28/50/05/170285005.db2.gz RNJWZRCKIOLFRM-LDYMZIIASA-N 1 2 244.291 -0.879 20 0 BBADLO C[C@H](C(=O)NCc1c[nH+]c[nH]1)N1CCOCC1 ZINC000331081184 386956460 /nfs/dbraw/zinc/95/64/60/386956460.db2.gz LURAGBAMSXPDKC-SECBINFHSA-N 1 2 238.291 -0.253 20 0 BBADLO C[C@@H](C(=O)NCc1c[nH+]c[nH]1)N1CCOCC1 ZINC000331081187 386956525 /nfs/dbraw/zinc/95/65/25/386956525.db2.gz LURAGBAMSXPDKC-VIFPVBQESA-N 1 2 238.291 -0.253 20 0 BBADLO C[C@@H](C(=O)NCCC(C)(C)O)[NH+]1CCOCC1 ZINC000331087530 386958591 /nfs/dbraw/zinc/95/85/91/386958591.db2.gz QUMQKNPLIAXNOE-JTQLQIEISA-N 1 2 244.335 -0.016 20 0 BBADLO C[C@H](C(=O)NCCC(C)(C)O)[NH+]1CCOCC1 ZINC000331087531 386958999 /nfs/dbraw/zinc/95/89/99/386958999.db2.gz QUMQKNPLIAXNOE-SNVBAGLBSA-N 1 2 244.335 -0.016 20 0 BBADLO Cc1[nH+]c[nH]c1CNC(=O)CN1CCCC1=O ZINC000331089872 180119886 /nfs/dbraw/zinc/11/98/86/180119886.db2.gz GWSSZFNBIMDFQZ-UHFFFAOYSA-N 1 2 236.275 -0.043 20 0 BBADLO CNC(=O)[C@H](C)C[N@@H+](C)Cc1nnnn1C ZINC000331093870 173301035 /nfs/dbraw/zinc/30/10/35/173301035.db2.gz YRMZOSOYLNECOA-SSDOTTSWSA-N 1 2 226.284 -0.976 20 0 BBADLO CNC(=O)[C@H](C)C[N@H+](C)Cc1nnnn1C ZINC000331093870 173301034 /nfs/dbraw/zinc/30/10/34/173301034.db2.gz YRMZOSOYLNECOA-SSDOTTSWSA-N 1 2 226.284 -0.976 20 0 BBADLO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1nnnn1C ZINC000331093871 173294383 /nfs/dbraw/zinc/29/43/83/173294383.db2.gz YRMZOSOYLNECOA-ZETCQYMHSA-N 1 2 226.284 -0.976 20 0 BBADLO CNC(=O)[C@@H](C)C[N@H+](C)Cc1nnnn1C ZINC000331093871 173294382 /nfs/dbraw/zinc/29/43/82/173294382.db2.gz YRMZOSOYLNECOA-ZETCQYMHSA-N 1 2 226.284 -0.976 20 0 BBADLO CC(C)[C@@H](CO)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000331099120 386962189 /nfs/dbraw/zinc/96/21/89/386962189.db2.gz CAEHSSTUNGSPRW-GHMZBOCLSA-N 1 2 244.335 -0.302 20 0 BBADLO CC(C)[C@@H](CO)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000331099120 386962181 /nfs/dbraw/zinc/96/21/81/386962181.db2.gz CAEHSSTUNGSPRW-GHMZBOCLSA-N 1 2 244.335 -0.302 20 0 BBADLO CC(C)[C@H](CO)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000331099121 386960877 /nfs/dbraw/zinc/96/08/77/386960877.db2.gz CAEHSSTUNGSPRW-MNOVXSKESA-N 1 2 244.335 -0.302 20 0 BBADLO CC(C)[C@H](CO)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000331099121 386960874 /nfs/dbraw/zinc/96/08/74/386960874.db2.gz CAEHSSTUNGSPRW-MNOVXSKESA-N 1 2 244.335 -0.302 20 0 BBADLO CC(C)[C@H](CO)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000331099122 386960851 /nfs/dbraw/zinc/96/08/51/386960851.db2.gz CAEHSSTUNGSPRW-QWRGUYRKSA-N 1 2 244.335 -0.302 20 0 BBADLO CC(C)[C@H](CO)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000331099122 386960845 /nfs/dbraw/zinc/96/08/45/386960845.db2.gz CAEHSSTUNGSPRW-QWRGUYRKSA-N 1 2 244.335 -0.302 20 0 BBADLO CC(C)[C@@H](CO)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000331099123 386962100 /nfs/dbraw/zinc/96/21/00/386962100.db2.gz CAEHSSTUNGSPRW-WDEREUQCSA-N 1 2 244.335 -0.302 20 0 BBADLO CC(C)[C@@H](CO)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000331099123 386962092 /nfs/dbraw/zinc/96/20/92/386962092.db2.gz CAEHSSTUNGSPRW-WDEREUQCSA-N 1 2 244.335 -0.302 20 0 BBADLO CC[C@@H](C(=O)NCc1n[nH]c(=O)[nH]1)[NH+](C)C ZINC000331116730 386967047 /nfs/dbraw/zinc/96/70/47/386967047.db2.gz MGQJQPDSOBHJSS-LURJTMIESA-N 1 2 227.268 -0.533 20 0 BBADLO CC[C@H](C(=O)NCc1n[nH]c(=O)[nH]1)[NH+](C)C ZINC000331116731 171230302 /nfs/dbraw/zinc/23/03/02/171230302.db2.gz MGQJQPDSOBHJSS-ZCFIWIBFSA-N 1 2 227.268 -0.533 20 0 BBADLO CC(C)[C@@H](CO)C(=O)N1CC[NH+](CCO)CC1 ZINC000331130689 386983064 /nfs/dbraw/zinc/98/30/64/386983064.db2.gz OVPBXNBUAGIESH-LLVKDONJSA-N 1 2 244.335 -0.613 20 0 BBADLO CC(C)[C@H](CO)C(=O)N1CC[NH+](CCO)CC1 ZINC000331130691 187532468 /nfs/dbraw/zinc/53/24/68/187532468.db2.gz OVPBXNBUAGIESH-NSHDSACASA-N 1 2 244.335 -0.613 20 0 BBADLO CCOC(=O)C1(O)CC[NH+](CC(=O)NC)CC1 ZINC000331135846 170190554 /nfs/dbraw/zinc/19/05/54/170190554.db2.gz CWIBGFKFOFPWBH-UHFFFAOYSA-N 1 2 244.291 -0.878 20 0 BBADLO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1ncnn1C ZINC000331144252 386972497 /nfs/dbraw/zinc/97/24/97/386972497.db2.gz GICNKUHKXACPIN-NXEZZACHSA-N 1 2 240.307 -0.213 20 0 BBADLO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1ncnn1C ZINC000331144252 386972493 /nfs/dbraw/zinc/97/24/93/386972493.db2.gz GICNKUHKXACPIN-NXEZZACHSA-N 1 2 240.307 -0.213 20 0 BBADLO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ncnn1C ZINC000331144253 386972626 /nfs/dbraw/zinc/97/26/26/386972626.db2.gz GICNKUHKXACPIN-UWVGGRQHSA-N 1 2 240.307 -0.213 20 0 BBADLO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1ncnn1C ZINC000331144253 386972623 /nfs/dbraw/zinc/97/26/23/386972623.db2.gz GICNKUHKXACPIN-UWVGGRQHSA-N 1 2 240.307 -0.213 20 0 BBADLO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1ncnn1C ZINC000331144254 386973110 /nfs/dbraw/zinc/97/31/10/386973110.db2.gz GICNKUHKXACPIN-VHSXEESVSA-N 1 2 240.307 -0.213 20 0 BBADLO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1ncnn1C ZINC000331144254 386973104 /nfs/dbraw/zinc/97/31/04/386973104.db2.gz GICNKUHKXACPIN-VHSXEESVSA-N 1 2 240.307 -0.213 20 0 BBADLO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ncnn1C ZINC000331145117 386973176 /nfs/dbraw/zinc/97/31/76/386973176.db2.gz GICNKUHKXACPIN-ZJUUUORDSA-N 1 2 240.307 -0.213 20 0 BBADLO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1ncnn1C ZINC000331145117 386973171 /nfs/dbraw/zinc/97/31/71/386973171.db2.gz GICNKUHKXACPIN-ZJUUUORDSA-N 1 2 240.307 -0.213 20 0 BBADLO Cc1cc(NC(=O)N(C)C[C@H](O)CO)cc[nH+]1 ZINC000331150038 386974757 /nfs/dbraw/zinc/97/47/57/386974757.db2.gz HUEVPRIBTDYLFH-JTQLQIEISA-N 1 2 239.275 -0.371 20 0 BBADLO C[NH+](C)CCNC(=O)CSc1n[nH]c(=O)[nH]1 ZINC000331155832 386978082 /nfs/dbraw/zinc/97/80/82/386978082.db2.gz VONAYSRIAGIELG-UHFFFAOYSA-N 1 2 245.308 -0.720 20 0 BBADLO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1nnnn1C ZINC000331157914 386976965 /nfs/dbraw/zinc/97/69/65/386976965.db2.gz JOUXWJHXLPTKMR-BDAKNGLRSA-N 1 2 241.295 -0.818 20 0 BBADLO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1nnnn1C ZINC000331157914 386976961 /nfs/dbraw/zinc/97/69/61/386976961.db2.gz JOUXWJHXLPTKMR-BDAKNGLRSA-N 1 2 241.295 -0.818 20 0 BBADLO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1nnnn1C ZINC000331157915 386977259 /nfs/dbraw/zinc/97/72/59/386977259.db2.gz JOUXWJHXLPTKMR-DTWKUNHWSA-N 1 2 241.295 -0.818 20 0 BBADLO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1nnnn1C ZINC000331157915 386977253 /nfs/dbraw/zinc/97/72/53/386977253.db2.gz JOUXWJHXLPTKMR-DTWKUNHWSA-N 1 2 241.295 -0.818 20 0 BBADLO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1nnnn1C ZINC000331157917 386977586 /nfs/dbraw/zinc/97/75/86/386977586.db2.gz JOUXWJHXLPTKMR-IUCAKERBSA-N 1 2 241.295 -0.818 20 0 BBADLO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1nnnn1C ZINC000331157917 386977584 /nfs/dbraw/zinc/97/75/84/386977584.db2.gz JOUXWJHXLPTKMR-IUCAKERBSA-N 1 2 241.295 -0.818 20 0 BBADLO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1nnnn1C ZINC000331157919 386976770 /nfs/dbraw/zinc/97/67/70/386976770.db2.gz JOUXWJHXLPTKMR-RKDXNWHRSA-N 1 2 241.295 -0.818 20 0 BBADLO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1nnnn1C ZINC000331157919 386976767 /nfs/dbraw/zinc/97/67/67/386976767.db2.gz JOUXWJHXLPTKMR-RKDXNWHRSA-N 1 2 241.295 -0.818 20 0 BBADLO C[C@@H](C(=O)NCCCCO)[NH+]1CCOCC1 ZINC000331166019 387402816 /nfs/dbraw/zinc/40/28/16/387402816.db2.gz DRZFXVPAKOWXMB-JTQLQIEISA-N 1 2 230.308 -0.404 20 0 BBADLO C[C@H](C(=O)NCCCCO)[NH+]1CCOCC1 ZINC000331166020 386980993 /nfs/dbraw/zinc/98/09/93/386980993.db2.gz DRZFXVPAKOWXMB-SNVBAGLBSA-N 1 2 230.308 -0.404 20 0 BBADLO COC[C@H](CO)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000331170938 386980625 /nfs/dbraw/zinc/98/06/25/386980625.db2.gz FRASIAQSQBCCJA-QMMMGPOBSA-N 1 2 241.291 -0.189 20 0 BBADLO COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)CSC)CCO1 ZINC000331175083 384632682 /nfs/dbraw/zinc/63/26/82/384632682.db2.gz PMMBBXDRVKNHOZ-BDAKNGLRSA-N 1 2 249.332 -0.416 20 0 BBADLO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)CSC)CCO1 ZINC000331175083 384632674 /nfs/dbraw/zinc/63/26/74/384632674.db2.gz PMMBBXDRVKNHOZ-BDAKNGLRSA-N 1 2 249.332 -0.416 20 0 BBADLO COC(=O)[C@H]1C[N@@H+](C[C@H](O)CSC)CCO1 ZINC000331175084 386984985 /nfs/dbraw/zinc/98/49/85/386984985.db2.gz PMMBBXDRVKNHOZ-DTWKUNHWSA-N 1 2 249.332 -0.416 20 0 BBADLO COC(=O)[C@H]1C[N@H+](C[C@H](O)CSC)CCO1 ZINC000331175084 386984981 /nfs/dbraw/zinc/98/49/81/386984981.db2.gz PMMBBXDRVKNHOZ-DTWKUNHWSA-N 1 2 249.332 -0.416 20 0 BBADLO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)CSC)CCO1 ZINC000331175085 386984543 /nfs/dbraw/zinc/98/45/43/386984543.db2.gz PMMBBXDRVKNHOZ-IUCAKERBSA-N 1 2 249.332 -0.416 20 0 BBADLO COC(=O)[C@@H]1C[N@H+](C[C@H](O)CSC)CCO1 ZINC000331175085 386984538 /nfs/dbraw/zinc/98/45/38/386984538.db2.gz PMMBBXDRVKNHOZ-IUCAKERBSA-N 1 2 249.332 -0.416 20 0 BBADLO COC(=O)[C@H]1C[N@@H+](C[C@@H](O)CSC)CCO1 ZINC000331175086 386984174 /nfs/dbraw/zinc/98/41/74/386984174.db2.gz PMMBBXDRVKNHOZ-RKDXNWHRSA-N 1 2 249.332 -0.416 20 0 BBADLO COC(=O)[C@H]1C[N@H+](C[C@@H](O)CSC)CCO1 ZINC000331175086 386984167 /nfs/dbraw/zinc/98/41/67/386984167.db2.gz PMMBBXDRVKNHOZ-RKDXNWHRSA-N 1 2 249.332 -0.416 20 0 BBADLO COC(=O)C[NH+]1CCC([C@H](O)C(=O)OC)CC1 ZINC000331183962 386983973 /nfs/dbraw/zinc/98/39/73/386983973.db2.gz SLIIOEAYOKYCAU-JTQLQIEISA-N 1 2 245.275 -0.595 20 0 BBADLO COC(=O)C[NH+]1CCC([C@@H](O)C(=O)OC)CC1 ZINC000331183963 386985389 /nfs/dbraw/zinc/98/53/89/386985389.db2.gz SLIIOEAYOKYCAU-SNVBAGLBSA-N 1 2 245.275 -0.595 20 0 BBADLO O=C(CO)N1CC[NH+](CCc2ccccn2)CC1 ZINC000331197083 386988266 /nfs/dbraw/zinc/98/82/66/386988266.db2.gz LUORGKBNZBSWTE-UHFFFAOYSA-N 1 2 249.314 -0.239 20 0 BBADLO COC(=O)C[N@@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000331197645 386987204 /nfs/dbraw/zinc/98/72/04/386987204.db2.gz ZQWJPWMKXRNFCS-BDAKNGLRSA-N 1 2 217.265 -0.369 20 0 BBADLO COC(=O)C[N@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000331197645 386987200 /nfs/dbraw/zinc/98/72/00/386987200.db2.gz ZQWJPWMKXRNFCS-BDAKNGLRSA-N 1 2 217.265 -0.369 20 0 BBADLO COC(=O)C[N@@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000331197646 386986513 /nfs/dbraw/zinc/98/65/13/386986513.db2.gz ZQWJPWMKXRNFCS-DTWKUNHWSA-N 1 2 217.265 -0.369 20 0 BBADLO COC(=O)C[N@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000331197646 386986506 /nfs/dbraw/zinc/98/65/06/386986506.db2.gz ZQWJPWMKXRNFCS-DTWKUNHWSA-N 1 2 217.265 -0.369 20 0 BBADLO COC(=O)C[N@@H+](CCO)[C@H]1CCO[C@H]1C ZINC000331197647 386987388 /nfs/dbraw/zinc/98/73/88/386987388.db2.gz ZQWJPWMKXRNFCS-IUCAKERBSA-N 1 2 217.265 -0.369 20 0 BBADLO COC(=O)C[N@H+](CCO)[C@H]1CCO[C@H]1C ZINC000331197647 386987382 /nfs/dbraw/zinc/98/73/82/386987382.db2.gz ZQWJPWMKXRNFCS-IUCAKERBSA-N 1 2 217.265 -0.369 20 0 BBADLO COC(=O)C[N@@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000331197648 386986526 /nfs/dbraw/zinc/98/65/26/386986526.db2.gz ZQWJPWMKXRNFCS-RKDXNWHRSA-N 1 2 217.265 -0.369 20 0 BBADLO COC(=O)C[N@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000331197648 386986520 /nfs/dbraw/zinc/98/65/20/386986520.db2.gz ZQWJPWMKXRNFCS-RKDXNWHRSA-N 1 2 217.265 -0.369 20 0 BBADLO CN(CC[NH+]1CCOCC1)C(=O)c1nc[nH]n1 ZINC000331217794 386990746 /nfs/dbraw/zinc/99/07/46/386990746.db2.gz GPCHORJMNOOXGE-UHFFFAOYSA-N 1 2 239.279 -0.791 20 0 BBADLO NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000331233096 412282093 /nfs/dbraw/zinc/28/20/93/412282093.db2.gz FTABYYFAOGAOGU-UHFFFAOYSA-N 1 2 239.279 0.120 20 0 BBADLO COc1nccnc1C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000331243307 386998923 /nfs/dbraw/zinc/99/89/23/386998923.db2.gz RRDQFYNQUVGUOD-IUCAKERBSA-N 1 2 239.275 -0.587 20 0 BBADLO COc1nccnc1C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000331243307 386998921 /nfs/dbraw/zinc/99/89/21/386998921.db2.gz RRDQFYNQUVGUOD-IUCAKERBSA-N 1 2 239.275 -0.587 20 0 BBADLO COC[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CCCO1 ZINC000331254800 386998611 /nfs/dbraw/zinc/99/86/11/386998611.db2.gz XRXJBZZDCVFSCM-BDAKNGLRSA-N 1 2 241.295 -0.506 20 0 BBADLO COC[C@H]([NH2+]Cc1nnnn1C)[C@H]1CCCO1 ZINC000331254801 386998170 /nfs/dbraw/zinc/99/81/70/386998170.db2.gz XRXJBZZDCVFSCM-DTWKUNHWSA-N 1 2 241.295 -0.506 20 0 BBADLO COC[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CCCO1 ZINC000331254802 386998659 /nfs/dbraw/zinc/99/86/59/386998659.db2.gz XRXJBZZDCVFSCM-IUCAKERBSA-N 1 2 241.295 -0.506 20 0 BBADLO COC[C@@H]([NH2+]Cc1nnnn1C)[C@H]1CCCO1 ZINC000331254803 386997985 /nfs/dbraw/zinc/99/79/85/386997985.db2.gz XRXJBZZDCVFSCM-RKDXNWHRSA-N 1 2 241.295 -0.506 20 0 BBADLO CCOCC[C@@H](O)C[N@H+]1CCNC(=O)C1 ZINC000331255641 386998631 /nfs/dbraw/zinc/99/86/31/386998631.db2.gz YRIPGKMAWFYATA-SECBINFHSA-N 1 2 216.281 -0.794 20 0 BBADLO CCOCC[C@@H](O)C[N@@H+]1CCNC(=O)C1 ZINC000331255641 386998630 /nfs/dbraw/zinc/99/86/30/386998630.db2.gz YRIPGKMAWFYATA-SECBINFHSA-N 1 2 216.281 -0.794 20 0 BBADLO CCOCC[C@H](O)C[N@H+]1CCNC(=O)C1 ZINC000331255643 386998075 /nfs/dbraw/zinc/99/80/75/386998075.db2.gz YRIPGKMAWFYATA-VIFPVBQESA-N 1 2 216.281 -0.794 20 0 BBADLO CCOCC[C@H](O)C[N@@H+]1CCNC(=O)C1 ZINC000331255643 386998070 /nfs/dbraw/zinc/99/80/70/386998070.db2.gz YRIPGKMAWFYATA-VIFPVBQESA-N 1 2 216.281 -0.794 20 0 BBADLO Cc1nc(C(=O)NCc2[nH]cc[nH+]2)n(C)n1 ZINC000331272630 386992204 /nfs/dbraw/zinc/99/22/04/386992204.db2.gz VRHTYRZKXULLEJ-UHFFFAOYSA-N 1 2 220.236 -0.223 20 0 BBADLO C[C@@H](C(=O)N(C)CCCO)[NH+]1CCOCC1 ZINC000331277883 386994382 /nfs/dbraw/zinc/99/43/82/386994382.db2.gz PFRXROLZAXPNSX-JTQLQIEISA-N 1 2 230.308 -0.452 20 0 BBADLO C[C@H](C(=O)N(C)CCCO)[NH+]1CCOCC1 ZINC000331277884 386994667 /nfs/dbraw/zinc/99/46/67/386994667.db2.gz PFRXROLZAXPNSX-SNVBAGLBSA-N 1 2 230.308 -0.452 20 0 BBADLO O=C(Cc1ccon1)N1CC[NH+](CCO)CC1 ZINC000331292460 182056447 /nfs/dbraw/zinc/05/64/47/182056447.db2.gz LERSWSKDGZYNEJ-UHFFFAOYSA-N 1 2 239.275 -0.646 20 0 BBADLO CCOCC[C@@H](O)C[N@H+]1CCNC(=O)[C@H]1C ZINC000331296131 387009739 /nfs/dbraw/zinc/00/97/39/387009739.db2.gz NWNZVZDVXHOURH-NXEZZACHSA-N 1 2 230.308 -0.406 20 0 BBADLO CCOCC[C@@H](O)C[N@@H+]1CCNC(=O)[C@H]1C ZINC000331296131 387009734 /nfs/dbraw/zinc/00/97/34/387009734.db2.gz NWNZVZDVXHOURH-NXEZZACHSA-N 1 2 230.308 -0.406 20 0 BBADLO CCOCC[C@H](O)C[N@H+]1CCNC(=O)[C@@H]1C ZINC000331296132 387010554 /nfs/dbraw/zinc/01/05/54/387010554.db2.gz NWNZVZDVXHOURH-UWVGGRQHSA-N 1 2 230.308 -0.406 20 0 BBADLO CCOCC[C@H](O)C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000331296132 387010548 /nfs/dbraw/zinc/01/05/48/387010548.db2.gz NWNZVZDVXHOURH-UWVGGRQHSA-N 1 2 230.308 -0.406 20 0 BBADLO CCOCC[C@@H](O)C[N@H+]1CCNC(=O)[C@@H]1C ZINC000331296134 387010110 /nfs/dbraw/zinc/01/01/10/387010110.db2.gz NWNZVZDVXHOURH-VHSXEESVSA-N 1 2 230.308 -0.406 20 0 BBADLO CCOCC[C@@H](O)C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000331296134 387010103 /nfs/dbraw/zinc/01/01/03/387010103.db2.gz NWNZVZDVXHOURH-VHSXEESVSA-N 1 2 230.308 -0.406 20 0 BBADLO CCOCC[C@H](O)C[N@H+]1CCNC(=O)[C@H]1C ZINC000331296136 387010303 /nfs/dbraw/zinc/01/03/03/387010303.db2.gz NWNZVZDVXHOURH-ZJUUUORDSA-N 1 2 230.308 -0.406 20 0 BBADLO CCOCC[C@H](O)C[N@@H+]1CCNC(=O)[C@H]1C ZINC000331296136 387010296 /nfs/dbraw/zinc/01/02/96/387010296.db2.gz NWNZVZDVXHOURH-ZJUUUORDSA-N 1 2 230.308 -0.406 20 0 BBADLO CCCNC(=O)C[N@@H+](CC)[C@@H]1CCNC1=O ZINC000331299007 169219791 /nfs/dbraw/zinc/21/97/91/169219791.db2.gz OEPHYULBEPAZRK-SECBINFHSA-N 1 2 227.308 -0.277 20 0 BBADLO CCCNC(=O)C[N@H+](CC)[C@@H]1CCNC1=O ZINC000331299007 169219790 /nfs/dbraw/zinc/21/97/90/169219790.db2.gz OEPHYULBEPAZRK-SECBINFHSA-N 1 2 227.308 -0.277 20 0 BBADLO CCCNC(=O)C[N@@H+](CC)[C@H]1CCNC1=O ZINC000331299008 169219767 /nfs/dbraw/zinc/21/97/67/169219767.db2.gz OEPHYULBEPAZRK-VIFPVBQESA-N 1 2 227.308 -0.277 20 0 BBADLO CCCNC(=O)C[N@H+](CC)[C@H]1CCNC1=O ZINC000331299008 169219766 /nfs/dbraw/zinc/21/97/66/169219766.db2.gz OEPHYULBEPAZRK-VIFPVBQESA-N 1 2 227.308 -0.277 20 0 BBADLO CCN(C)C(=O)C[N@@H+](CC)[C@@H]1CCNC1=O ZINC000331301271 387009428 /nfs/dbraw/zinc/00/94/28/387009428.db2.gz PQNGCRPIYXVROW-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CCN(C)C(=O)C[N@H+](CC)[C@@H]1CCNC1=O ZINC000331301271 387009424 /nfs/dbraw/zinc/00/94/24/387009424.db2.gz PQNGCRPIYXVROW-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CCN(C)C(=O)C[N@@H+](CC)[C@H]1CCNC1=O ZINC000331301272 387008830 /nfs/dbraw/zinc/00/88/30/387008830.db2.gz PQNGCRPIYXVROW-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO CCN(C)C(=O)C[N@H+](CC)[C@H]1CCNC1=O ZINC000331301272 387008825 /nfs/dbraw/zinc/00/88/25/387008825.db2.gz PQNGCRPIYXVROW-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO CN(C)c1noc(C[N@@H+](C)CCCO)n1 ZINC000331304428 387011528 /nfs/dbraw/zinc/01/15/28/387011528.db2.gz QUWWTBZYJWTQNU-UHFFFAOYSA-N 1 2 214.269 -0.050 20 0 BBADLO CN(C)c1noc(C[N@H+](C)CCCO)n1 ZINC000331304428 387011522 /nfs/dbraw/zinc/01/15/22/387011522.db2.gz QUWWTBZYJWTQNU-UHFFFAOYSA-N 1 2 214.269 -0.050 20 0 BBADLO CC[N@@H+](CCCS(C)(=O)=O)[C@@H]1CCNC1=O ZINC000331306234 387011973 /nfs/dbraw/zinc/01/19/73/387011973.db2.gz RNYSXLMJPZGKBL-SECBINFHSA-N 1 2 248.348 -0.369 20 0 BBADLO CC[N@H+](CCCS(C)(=O)=O)[C@@H]1CCNC1=O ZINC000331306234 387011965 /nfs/dbraw/zinc/01/19/65/387011965.db2.gz RNYSXLMJPZGKBL-SECBINFHSA-N 1 2 248.348 -0.369 20 0 BBADLO CC[N@@H+](CCCS(C)(=O)=O)[C@H]1CCNC1=O ZINC000331306235 387012319 /nfs/dbraw/zinc/01/23/19/387012319.db2.gz RNYSXLMJPZGKBL-VIFPVBQESA-N 1 2 248.348 -0.369 20 0 BBADLO CC[N@H+](CCCS(C)(=O)=O)[C@H]1CCNC1=O ZINC000331306235 387012312 /nfs/dbraw/zinc/01/23/12/387012312.db2.gz RNYSXLMJPZGKBL-VIFPVBQESA-N 1 2 248.348 -0.369 20 0 BBADLO CC[N@@H+](CC(=O)NCC(C)C)[C@H]1CCNC1=O ZINC000331306250 387012856 /nfs/dbraw/zinc/01/28/56/387012856.db2.gz ROVKFZAYBRRKDN-JTQLQIEISA-N 1 2 241.335 -0.031 20 0 BBADLO CC[N@H+](CC(=O)NCC(C)C)[C@H]1CCNC1=O ZINC000331306250 387012851 /nfs/dbraw/zinc/01/28/51/387012851.db2.gz ROVKFZAYBRRKDN-JTQLQIEISA-N 1 2 241.335 -0.031 20 0 BBADLO CC[N@@H+](CC(=O)NCC(C)C)[C@@H]1CCNC1=O ZINC000331306251 387013002 /nfs/dbraw/zinc/01/30/02/387013002.db2.gz ROVKFZAYBRRKDN-SNVBAGLBSA-N 1 2 241.335 -0.031 20 0 BBADLO CC[N@H+](CC(=O)NCC(C)C)[C@@H]1CCNC1=O ZINC000331306251 387012999 /nfs/dbraw/zinc/01/29/99/387012999.db2.gz ROVKFZAYBRRKDN-SNVBAGLBSA-N 1 2 241.335 -0.031 20 0 BBADLO CC[C@@H](O)CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000331314186 387002962 /nfs/dbraw/zinc/00/29/62/387002962.db2.gz IDUOWHKKJFJLHI-GHMZBOCLSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@@H](O)CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000331314186 387002959 /nfs/dbraw/zinc/00/29/59/387002959.db2.gz IDUOWHKKJFJLHI-GHMZBOCLSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@H](O)CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000331314187 387001940 /nfs/dbraw/zinc/00/19/40/387001940.db2.gz IDUOWHKKJFJLHI-MNOVXSKESA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@H](O)CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000331314187 387001937 /nfs/dbraw/zinc/00/19/37/387001937.db2.gz IDUOWHKKJFJLHI-MNOVXSKESA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@H](O)CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000331314189 387001902 /nfs/dbraw/zinc/00/19/02/387001902.db2.gz IDUOWHKKJFJLHI-QWRGUYRKSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@H](O)CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000331314189 387001898 /nfs/dbraw/zinc/00/18/98/387001898.db2.gz IDUOWHKKJFJLHI-QWRGUYRKSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@@H](O)CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000331314191 387002979 /nfs/dbraw/zinc/00/29/79/387002979.db2.gz IDUOWHKKJFJLHI-WDEREUQCSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@@H](O)CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000331314191 387002973 /nfs/dbraw/zinc/00/29/73/387002973.db2.gz IDUOWHKKJFJLHI-WDEREUQCSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@H](C(=O)NCCO)[N@H+]1CCO[C@H](CC)C1 ZINC000331328369 171095641 /nfs/dbraw/zinc/09/56/41/171095641.db2.gz PXENLJKPGSNLGV-GHMZBOCLSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@H](C(=O)NCCO)[N@@H+]1CCO[C@H](CC)C1 ZINC000331328369 171095639 /nfs/dbraw/zinc/09/56/39/171095639.db2.gz PXENLJKPGSNLGV-GHMZBOCLSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@@H](C(=O)NCCO)[N@H+]1CCO[C@H](CC)C1 ZINC000331328370 387006345 /nfs/dbraw/zinc/00/63/45/387006345.db2.gz PXENLJKPGSNLGV-MNOVXSKESA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@@H](C(=O)NCCO)[N@@H+]1CCO[C@H](CC)C1 ZINC000331328370 387006341 /nfs/dbraw/zinc/00/63/41/387006341.db2.gz PXENLJKPGSNLGV-MNOVXSKESA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@@H](C(=O)NCCO)[N@H+]1CCO[C@@H](CC)C1 ZINC000331328371 387006303 /nfs/dbraw/zinc/00/63/03/387006303.db2.gz PXENLJKPGSNLGV-QWRGUYRKSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@@H](C(=O)NCCO)[N@@H+]1CCO[C@@H](CC)C1 ZINC000331328371 387006299 /nfs/dbraw/zinc/00/62/99/387006299.db2.gz PXENLJKPGSNLGV-QWRGUYRKSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@H](C(=O)NCCO)[N@H+]1CCO[C@@H](CC)C1 ZINC000331328372 387006104 /nfs/dbraw/zinc/00/61/04/387006104.db2.gz PXENLJKPGSNLGV-WDEREUQCSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@H](C(=O)NCCO)[N@@H+]1CCO[C@@H](CC)C1 ZINC000331328372 387006097 /nfs/dbraw/zinc/00/60/97/387006097.db2.gz PXENLJKPGSNLGV-WDEREUQCSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@@H](O)CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000331328861 353240976 /nfs/dbraw/zinc/24/09/76/353240976.db2.gz QGIOMQSDZKXPDC-LLVKDONJSA-N 1 2 244.335 -0.062 20 0 BBADLO CC[C@H](O)CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000331328862 387005705 /nfs/dbraw/zinc/00/57/05/387005705.db2.gz QGIOMQSDZKXPDC-NSHDSACASA-N 1 2 244.335 -0.062 20 0 BBADLO CC(=O)C1(C(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000331365918 386492531 /nfs/dbraw/zinc/49/25/31/386492531.db2.gz CRGQGSLXDPGGIS-UHFFFAOYSA-N 1 2 240.303 -0.508 20 0 BBADLO COC[C@H](O)C[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000331387257 386849131 /nfs/dbraw/zinc/84/91/31/386849131.db2.gz LBCFILLOWCOAFR-GHMZBOCLSA-N 1 2 243.303 -0.326 20 0 BBADLO COC[C@H](O)C[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000331387257 386849126 /nfs/dbraw/zinc/84/91/26/386849126.db2.gz LBCFILLOWCOAFR-GHMZBOCLSA-N 1 2 243.303 -0.326 20 0 BBADLO COC[C@H](O)C[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000331387258 386849252 /nfs/dbraw/zinc/84/92/52/386849252.db2.gz LBCFILLOWCOAFR-MNOVXSKESA-N 1 2 243.303 -0.326 20 0 BBADLO COC[C@H](O)C[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000331387258 386849248 /nfs/dbraw/zinc/84/92/48/386849248.db2.gz LBCFILLOWCOAFR-MNOVXSKESA-N 1 2 243.303 -0.326 20 0 BBADLO COC[C@@H](O)C[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000331387259 386848322 /nfs/dbraw/zinc/84/83/22/386848322.db2.gz LBCFILLOWCOAFR-QWRGUYRKSA-N 1 2 243.303 -0.326 20 0 BBADLO COC[C@@H](O)C[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000331387259 386848316 /nfs/dbraw/zinc/84/83/16/386848316.db2.gz LBCFILLOWCOAFR-QWRGUYRKSA-N 1 2 243.303 -0.326 20 0 BBADLO COC[C@@H](O)C[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000331387260 386848726 /nfs/dbraw/zinc/84/87/26/386848726.db2.gz LBCFILLOWCOAFR-WDEREUQCSA-N 1 2 243.303 -0.326 20 0 BBADLO COC[C@@H](O)C[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000331387260 386848721 /nfs/dbraw/zinc/84/87/21/386848721.db2.gz LBCFILLOWCOAFR-WDEREUQCSA-N 1 2 243.303 -0.326 20 0 BBADLO CCOC[C@H](O)C[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000331407416 386849050 /nfs/dbraw/zinc/84/90/50/386849050.db2.gz BIOOQENGSSJRQF-LLVKDONJSA-N 1 2 242.319 -0.310 20 0 BBADLO CCOC[C@H](O)C[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000331407416 386849048 /nfs/dbraw/zinc/84/90/48/386849048.db2.gz BIOOQENGSSJRQF-LLVKDONJSA-N 1 2 242.319 -0.310 20 0 BBADLO CCOC[C@@H](O)C[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000331407419 386849300 /nfs/dbraw/zinc/84/93/00/386849300.db2.gz BIOOQENGSSJRQF-NSHDSACASA-N 1 2 242.319 -0.310 20 0 BBADLO CCOC[C@@H](O)C[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000331407419 386849294 /nfs/dbraw/zinc/84/92/94/386849294.db2.gz BIOOQENGSSJRQF-NSHDSACASA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@@H](O)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000331413817 386549756 /nfs/dbraw/zinc/54/97/56/386549756.db2.gz CVECDYWHRWFBPU-SECBINFHSA-N 1 2 228.292 -0.652 20 0 BBADLO COCC1(C(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000331432201 174085186 /nfs/dbraw/zinc/08/51/86/174085186.db2.gz RNXMOYKBAOVWHS-UHFFFAOYSA-N 1 2 242.319 -0.451 20 0 BBADLO O=C(CC1CC1)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000331442253 386854026 /nfs/dbraw/zinc/85/40/26/386854026.db2.gz BOSIOPFVHYLEGP-LLVKDONJSA-N 1 2 242.319 -0.404 20 0 BBADLO O=C(CC1CC1)N[C@H](CO)C[NH+]1CCOCC1 ZINC000331442254 386853675 /nfs/dbraw/zinc/85/36/75/386853675.db2.gz BOSIOPFVHYLEGP-NSHDSACASA-N 1 2 242.319 -0.404 20 0 BBADLO COC(=O)CC1(C[N@H+]2CCNC(=O)C2)CC1 ZINC000331443829 386853533 /nfs/dbraw/zinc/85/35/33/386853533.db2.gz SPNINYDXJLHABU-UHFFFAOYSA-N 1 2 226.276 -0.239 20 0 BBADLO COC(=O)CC1(C[N@@H+]2CCNC(=O)C2)CC1 ZINC000331443829 386853528 /nfs/dbraw/zinc/85/35/28/386853528.db2.gz SPNINYDXJLHABU-UHFFFAOYSA-N 1 2 226.276 -0.239 20 0 BBADLO CC[N@@H+](CC(=O)NCC1CC1)[C@H]1CCNC1=O ZINC000331451549 386857351 /nfs/dbraw/zinc/85/73/51/386857351.db2.gz JEHKEUDDAYMYPR-JTQLQIEISA-N 1 2 239.319 -0.277 20 0 BBADLO CC[N@H+](CC(=O)NCC1CC1)[C@H]1CCNC1=O ZINC000331451549 386857348 /nfs/dbraw/zinc/85/73/48/386857348.db2.gz JEHKEUDDAYMYPR-JTQLQIEISA-N 1 2 239.319 -0.277 20 0 BBADLO CC[N@@H+](CC(=O)NCC1CC1)[C@@H]1CCNC1=O ZINC000331451553 386857388 /nfs/dbraw/zinc/85/73/88/386857388.db2.gz JEHKEUDDAYMYPR-SNVBAGLBSA-N 1 2 239.319 -0.277 20 0 BBADLO CC[N@H+](CC(=O)NCC1CC1)[C@@H]1CCNC1=O ZINC000331451553 386857385 /nfs/dbraw/zinc/85/73/85/386857385.db2.gz JEHKEUDDAYMYPR-SNVBAGLBSA-N 1 2 239.319 -0.277 20 0 BBADLO CNC(=O)CC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000331457393 173254553 /nfs/dbraw/zinc/25/45/53/173254553.db2.gz KEDWWXUPUBPXST-UHFFFAOYSA-N 1 2 225.292 -0.571 20 0 BBADLO CNC(=O)CC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000331457393 173254550 /nfs/dbraw/zinc/25/45/50/173254550.db2.gz KEDWWXUPUBPXST-UHFFFAOYSA-N 1 2 225.292 -0.571 20 0 BBADLO Cn1nnnc1C[N@@H+](CC(C)(C)O)C1CC1 ZINC000331473776 386859350 /nfs/dbraw/zinc/85/93/50/386859350.db2.gz KJUAAPVNWXJRCJ-UHFFFAOYSA-N 1 2 225.296 -0.055 20 0 BBADLO Cn1nnnc1C[N@H+](CC(C)(C)O)C1CC1 ZINC000331473776 386859346 /nfs/dbraw/zinc/85/93/46/386859346.db2.gz KJUAAPVNWXJRCJ-UHFFFAOYSA-N 1 2 225.296 -0.055 20 0 BBADLO COC[C@@H](O)C[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000331535693 386868389 /nfs/dbraw/zinc/86/83/89/386868389.db2.gz UVWLOSKBESFCNC-JTQLQIEISA-N 1 2 228.292 -0.700 20 0 BBADLO COC[C@@H](O)C[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000331535693 386868383 /nfs/dbraw/zinc/86/83/83/386868383.db2.gz UVWLOSKBESFCNC-JTQLQIEISA-N 1 2 228.292 -0.700 20 0 BBADLO O=C(NC[C@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000331540492 386868133 /nfs/dbraw/zinc/86/81/33/386868133.db2.gz POXVMMBJZLYZTR-JTQLQIEISA-N 1 2 228.292 -0.794 20 0 BBADLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000331540497 182219601 /nfs/dbraw/zinc/21/96/01/182219601.db2.gz POXVMMBJZLYZTR-SNVBAGLBSA-N 1 2 228.292 -0.794 20 0 BBADLO O=c1[nH]nc(C[N@@H+]2CCC[C@@H](O)CC2)[nH]1 ZINC000331541702 183305113 /nfs/dbraw/zinc/30/51/13/183305113.db2.gz ANTVIKRENWDBFI-SSDOTTSWSA-N 1 2 212.253 -0.143 20 0 BBADLO O=c1[nH]nc(C[N@H+]2CCC[C@@H](O)CC2)[nH]1 ZINC000331541702 183305111 /nfs/dbraw/zinc/30/51/11/183305111.db2.gz ANTVIKRENWDBFI-SSDOTTSWSA-N 1 2 212.253 -0.143 20 0 BBADLO O=c1[nH]nc(C[N@@H+]2CCC[C@H](O)CC2)[nH]1 ZINC000331541711 183306405 /nfs/dbraw/zinc/30/64/05/183306405.db2.gz ANTVIKRENWDBFI-ZETCQYMHSA-N 1 2 212.253 -0.143 20 0 BBADLO O=c1[nH]nc(C[N@H+]2CCC[C@H](O)CC2)[nH]1 ZINC000331541711 183306402 /nfs/dbraw/zinc/30/64/02/183306402.db2.gz ANTVIKRENWDBFI-ZETCQYMHSA-N 1 2 212.253 -0.143 20 0 BBADLO CC[N@@H+](CC(=O)NC1CC1)[C@@H]1CCNC1=O ZINC000331590394 386871589 /nfs/dbraw/zinc/87/15/89/386871589.db2.gz BQHNYLFQQILNHH-SECBINFHSA-N 1 2 225.292 -0.525 20 0 BBADLO CC[N@H+](CC(=O)NC1CC1)[C@@H]1CCNC1=O ZINC000331590394 386871588 /nfs/dbraw/zinc/87/15/88/386871588.db2.gz BQHNYLFQQILNHH-SECBINFHSA-N 1 2 225.292 -0.525 20 0 BBADLO CC[N@@H+](CC(=O)NC1CC1)[C@H]1CCNC1=O ZINC000331590396 386871744 /nfs/dbraw/zinc/87/17/44/386871744.db2.gz BQHNYLFQQILNHH-VIFPVBQESA-N 1 2 225.292 -0.525 20 0 BBADLO CC[N@H+](CC(=O)NC1CC1)[C@H]1CCNC1=O ZINC000331590396 386871739 /nfs/dbraw/zinc/87/17/39/386871739.db2.gz BQHNYLFQQILNHH-VIFPVBQESA-N 1 2 225.292 -0.525 20 0 BBADLO CO[C@@H](C(=O)NCC[NH+]1CCOCC1)C1CC1 ZINC000331606227 386874272 /nfs/dbraw/zinc/87/42/72/386874272.db2.gz ZTCAGEVXZFYZDH-LLVKDONJSA-N 1 2 242.319 -0.140 20 0 BBADLO CO[C@H](C(=O)NCC[NH+]1CCOCC1)C1CC1 ZINC000331606237 386874852 /nfs/dbraw/zinc/87/48/52/386874852.db2.gz ZTCAGEVXZFYZDH-NSHDSACASA-N 1 2 242.319 -0.140 20 0 BBADLO COC(=O)C[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000331607252 386873752 /nfs/dbraw/zinc/87/37/52/386873752.db2.gz JTEXAQPPHLAFDU-UHFFFAOYSA-N 1 2 241.291 -0.351 20 0 BBADLO C[C@H](C(=O)NC1CC1)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000331642081 386876393 /nfs/dbraw/zinc/87/63/93/386876393.db2.gz JUYVXFALYAXIFP-PSASIEDQSA-N 1 2 239.319 -0.184 20 0 BBADLO C[C@H](C(=O)NC1CC1)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000331642081 386876387 /nfs/dbraw/zinc/87/63/87/386876387.db2.gz JUYVXFALYAXIFP-PSASIEDQSA-N 1 2 239.319 -0.184 20 0 BBADLO C[C@H](C(=O)NC1CC1)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000331642082 386877433 /nfs/dbraw/zinc/87/74/33/386877433.db2.gz JUYVXFALYAXIFP-SCZZXKLOSA-N 1 2 239.319 -0.184 20 0 BBADLO C[C@H](C(=O)NC1CC1)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000331642082 386877430 /nfs/dbraw/zinc/87/74/30/386877430.db2.gz JUYVXFALYAXIFP-SCZZXKLOSA-N 1 2 239.319 -0.184 20 0 BBADLO C[C@@H](C(=O)NC1CC1)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000331642083 386876216 /nfs/dbraw/zinc/87/62/16/386876216.db2.gz JUYVXFALYAXIFP-WCBMZHEXSA-N 1 2 239.319 -0.184 20 0 BBADLO C[C@@H](C(=O)NC1CC1)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000331642083 386876213 /nfs/dbraw/zinc/87/62/13/386876213.db2.gz JUYVXFALYAXIFP-WCBMZHEXSA-N 1 2 239.319 -0.184 20 0 BBADLO C[C@@H](C(=O)NC1CC1)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000331642084 386877505 /nfs/dbraw/zinc/87/75/05/386877505.db2.gz JUYVXFALYAXIFP-WPRPVWTQSA-N 1 2 239.319 -0.184 20 0 BBADLO C[C@@H](C(=O)NC1CC1)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000331642084 386877501 /nfs/dbraw/zinc/87/75/01/386877501.db2.gz JUYVXFALYAXIFP-WPRPVWTQSA-N 1 2 239.319 -0.184 20 0 BBADLO O=C(C[N@@H+]1C[C@@H](F)C[C@H]1CO)NCC1CC1 ZINC000331644883 386876060 /nfs/dbraw/zinc/87/60/60/386876060.db2.gz KDFFMNITCSWYEV-UWVGGRQHSA-N 1 2 230.283 -0.083 20 0 BBADLO O=C(C[N@H+]1C[C@@H](F)C[C@H]1CO)NCC1CC1 ZINC000331644883 386876057 /nfs/dbraw/zinc/87/60/57/386876057.db2.gz KDFFMNITCSWYEV-UWVGGRQHSA-N 1 2 230.283 -0.083 20 0 BBADLO Cn1nnnc1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000331649389 386879371 /nfs/dbraw/zinc/87/93/71/386879371.db2.gz WBSRERRMDBZTSS-SECBINFHSA-N 1 2 233.279 -0.146 20 0 BBADLO Cn1nnnc1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000331649389 386879364 /nfs/dbraw/zinc/87/93/64/386879364.db2.gz WBSRERRMDBZTSS-SECBINFHSA-N 1 2 233.279 -0.146 20 0 BBADLO Cn1nnnc1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000331649397 386879732 /nfs/dbraw/zinc/87/97/32/386879732.db2.gz WBSRERRMDBZTSS-VIFPVBQESA-N 1 2 233.279 -0.146 20 0 BBADLO Cn1nnnc1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000331649397 386879726 /nfs/dbraw/zinc/87/97/26/386879726.db2.gz WBSRERRMDBZTSS-VIFPVBQESA-N 1 2 233.279 -0.146 20 0 BBADLO O=C(NCCc1[nH]cc[nH+]1)C1(O)CCC1 ZINC000331650281 182211222 /nfs/dbraw/zinc/21/12/22/182211222.db2.gz WLUXBQDWGIMVCV-UHFFFAOYSA-N 1 2 209.249 -0.017 20 0 BBADLO Cc1cc(NC(=O)C[N@H+](C)C2CC(O)C2)no1 ZINC000331653964 411240586 /nfs/dbraw/zinc/24/05/86/411240586.db2.gz WYUSSFXJHPAMNV-UHFFFAOYSA-N 1 2 239.275 0.377 20 0 BBADLO Cc1cc(NC(=O)C[N@@H+](C)C2CC(O)C2)no1 ZINC000331653964 411240582 /nfs/dbraw/zinc/24/05/82/411240582.db2.gz WYUSSFXJHPAMNV-UHFFFAOYSA-N 1 2 239.275 0.377 20 0 BBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC(CO)C1 ZINC000331660653 176732416 /nfs/dbraw/zinc/73/24/16/176732416.db2.gz YHHNUXUSEIZITE-SECBINFHSA-N 1 2 238.291 -0.095 20 0 BBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC(CO)C1 ZINC000331660657 386880073 /nfs/dbraw/zinc/88/00/73/386880073.db2.gz YHHNUXUSEIZITE-VIFPVBQESA-N 1 2 238.291 -0.095 20 0 BBADLO CN(C(=O)C[N@@H+](C)[C@@H]1CCNC1=O)C1CC1 ZINC000331665018 172308410 /nfs/dbraw/zinc/30/84/10/172308410.db2.gz MXNILFBUQOPJCX-SECBINFHSA-N 1 2 225.292 -0.573 20 0 BBADLO CN(C(=O)C[N@H+](C)[C@@H]1CCNC1=O)C1CC1 ZINC000331665018 172308408 /nfs/dbraw/zinc/30/84/08/172308408.db2.gz MXNILFBUQOPJCX-SECBINFHSA-N 1 2 225.292 -0.573 20 0 BBADLO CN(C(=O)C[N@@H+](C)[C@H]1CCNC1=O)C1CC1 ZINC000331665019 172308027 /nfs/dbraw/zinc/30/80/27/172308027.db2.gz MXNILFBUQOPJCX-VIFPVBQESA-N 1 2 225.292 -0.573 20 0 BBADLO CN(C(=O)C[N@H+](C)[C@H]1CCNC1=O)C1CC1 ZINC000331665019 172308026 /nfs/dbraw/zinc/30/80/26/172308026.db2.gz MXNILFBUQOPJCX-VIFPVBQESA-N 1 2 225.292 -0.573 20 0 BBADLO CC[N@@H+](CC(=O)N(C)C1CC1)[C@H]1CCNC1=O ZINC000331668810 386881635 /nfs/dbraw/zinc/88/16/35/386881635.db2.gz NPLJBUKYOIVQNP-JTQLQIEISA-N 1 2 239.319 -0.182 20 0 BBADLO CC[N@H+](CC(=O)N(C)C1CC1)[C@H]1CCNC1=O ZINC000331668810 386881631 /nfs/dbraw/zinc/88/16/31/386881631.db2.gz NPLJBUKYOIVQNP-JTQLQIEISA-N 1 2 239.319 -0.182 20 0 BBADLO CC[N@@H+](CC(=O)N(C)C1CC1)[C@@H]1CCNC1=O ZINC000331668827 386882322 /nfs/dbraw/zinc/88/23/22/386882322.db2.gz NPLJBUKYOIVQNP-SNVBAGLBSA-N 1 2 239.319 -0.182 20 0 BBADLO CC[N@H+](CC(=O)N(C)C1CC1)[C@@H]1CCNC1=O ZINC000331668827 386882318 /nfs/dbraw/zinc/88/23/18/386882318.db2.gz NPLJBUKYOIVQNP-SNVBAGLBSA-N 1 2 239.319 -0.182 20 0 BBADLO Cn1nnnc1C[N@H+]1CCC[C@@H](CO)CC1 ZINC000331675620 386881949 /nfs/dbraw/zinc/88/19/49/386881949.db2.gz SPQYXAQBJMWNFU-SECBINFHSA-N 1 2 225.296 -0.196 20 0 BBADLO Cn1nnnc1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000331675620 386881945 /nfs/dbraw/zinc/88/19/45/386881945.db2.gz SPQYXAQBJMWNFU-SECBINFHSA-N 1 2 225.296 -0.196 20 0 BBADLO Cn1nnnc1C[N@H+]1CCC[C@H](CO)CC1 ZINC000331675621 386880859 /nfs/dbraw/zinc/88/08/59/386880859.db2.gz SPQYXAQBJMWNFU-VIFPVBQESA-N 1 2 225.296 -0.196 20 0 BBADLO Cn1nnnc1C[N@@H+]1CCC[C@H](CO)CC1 ZINC000331675621 386880854 /nfs/dbraw/zinc/88/08/54/386880854.db2.gz SPQYXAQBJMWNFU-VIFPVBQESA-N 1 2 225.296 -0.196 20 0 BBADLO NC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000331681764 181260650 /nfs/dbraw/zinc/26/06/50/181260650.db2.gz PZCKHSPWSWXGDM-SECBINFHSA-N 1 2 240.307 -0.745 20 0 BBADLO NC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC000331681764 181260647 /nfs/dbraw/zinc/26/06/47/181260647.db2.gz PZCKHSPWSWXGDM-SECBINFHSA-N 1 2 240.307 -0.745 20 0 BBADLO NC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000331681766 181261544 /nfs/dbraw/zinc/26/15/44/181261544.db2.gz PZCKHSPWSWXGDM-VIFPVBQESA-N 1 2 240.307 -0.745 20 0 BBADLO NC(=O)N[C@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC000331681766 181261543 /nfs/dbraw/zinc/26/15/43/181261543.db2.gz PZCKHSPWSWXGDM-VIFPVBQESA-N 1 2 240.307 -0.745 20 0 BBADLO C[C@H](C(=O)NC1CC1)[N@@H+](C)[C@H]1CCNC1=O ZINC000331693706 385851995 /nfs/dbraw/zinc/85/19/95/385851995.db2.gz UDXHJZHXBMMEEN-APPZFPTMSA-N 1 2 225.292 -0.526 20 0 BBADLO C[C@H](C(=O)NC1CC1)[N@H+](C)[C@H]1CCNC1=O ZINC000331693706 385851992 /nfs/dbraw/zinc/85/19/92/385851992.db2.gz UDXHJZHXBMMEEN-APPZFPTMSA-N 1 2 225.292 -0.526 20 0 BBADLO C[C@@H](C(=O)NC1CC1)[N@@H+](C)[C@H]1CCNC1=O ZINC000331693707 385851723 /nfs/dbraw/zinc/85/17/23/385851723.db2.gz UDXHJZHXBMMEEN-CBAPKCEASA-N 1 2 225.292 -0.526 20 0 BBADLO C[C@@H](C(=O)NC1CC1)[N@H+](C)[C@H]1CCNC1=O ZINC000331693707 385851722 /nfs/dbraw/zinc/85/17/22/385851722.db2.gz UDXHJZHXBMMEEN-CBAPKCEASA-N 1 2 225.292 -0.526 20 0 BBADLO C[C@@H](C(=O)NC1CC1)[N@@H+](C)[C@@H]1CCNC1=O ZINC000331693708 385852547 /nfs/dbraw/zinc/85/25/47/385852547.db2.gz UDXHJZHXBMMEEN-IONNQARKSA-N 1 2 225.292 -0.526 20 0 BBADLO C[C@@H](C(=O)NC1CC1)[N@H+](C)[C@@H]1CCNC1=O ZINC000331693708 385852545 /nfs/dbraw/zinc/85/25/45/385852545.db2.gz UDXHJZHXBMMEEN-IONNQARKSA-N 1 2 225.292 -0.526 20 0 BBADLO C[C@H](C(=O)NC1CC1)[N@@H+](C)[C@@H]1CCNC1=O ZINC000331693709 385851709 /nfs/dbraw/zinc/85/17/09/385851709.db2.gz UDXHJZHXBMMEEN-VXNVDRBHSA-N 1 2 225.292 -0.526 20 0 BBADLO C[C@H](C(=O)NC1CC1)[N@H+](C)[C@@H]1CCNC1=O ZINC000331693709 385851706 /nfs/dbraw/zinc/85/17/06/385851706.db2.gz UDXHJZHXBMMEEN-VXNVDRBHSA-N 1 2 225.292 -0.526 20 0 BBADLO CO[C@H]1C[C@@H](C(=O)NCC(=O)C2CC2)[N@@H+](C)C1 ZINC000331710188 386884287 /nfs/dbraw/zinc/88/42/87/386884287.db2.gz ZRJAUDUENAPFNN-UWVGGRQHSA-N 1 2 240.303 -0.199 20 0 BBADLO CO[C@H]1C[C@@H](C(=O)NCC(=O)C2CC2)[N@H+](C)C1 ZINC000331710188 386884281 /nfs/dbraw/zinc/88/42/81/386884281.db2.gz ZRJAUDUENAPFNN-UWVGGRQHSA-N 1 2 240.303 -0.199 20 0 BBADLO CNC(=O)C[N@@H+](C)[C@H](C)C(=O)NC1CC1 ZINC000331734629 173268887 /nfs/dbraw/zinc/26/88/87/173268887.db2.gz AAKQJHHBGHNBCO-SSDOTTSWSA-N 1 2 213.281 -0.669 20 0 BBADLO CNC(=O)C[N@H+](C)[C@H](C)C(=O)NC1CC1 ZINC000331734629 173268884 /nfs/dbraw/zinc/26/88/84/173268884.db2.gz AAKQJHHBGHNBCO-SSDOTTSWSA-N 1 2 213.281 -0.669 20 0 BBADLO CNC(=O)C[N@@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC000331734630 173269681 /nfs/dbraw/zinc/26/96/81/173269681.db2.gz AAKQJHHBGHNBCO-ZETCQYMHSA-N 1 2 213.281 -0.669 20 0 BBADLO CNC(=O)C[N@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC000331734630 173269678 /nfs/dbraw/zinc/26/96/78/173269678.db2.gz AAKQJHHBGHNBCO-ZETCQYMHSA-N 1 2 213.281 -0.669 20 0 BBADLO CNC(=O)C[N@@H+](C)CC(=O)N(C)CC1CC1 ZINC000331735760 173268501 /nfs/dbraw/zinc/26/85/01/173268501.db2.gz AUTYEWDVYXWDRP-UHFFFAOYSA-N 1 2 227.308 -0.467 20 0 BBADLO CNC(=O)C[N@H+](C)CC(=O)N(C)CC1CC1 ZINC000331735760 173268498 /nfs/dbraw/zinc/26/84/98/173268498.db2.gz AUTYEWDVYXWDRP-UHFFFAOYSA-N 1 2 227.308 -0.467 20 0 BBADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1C[C@H]1C ZINC000331742298 167050056 /nfs/dbraw/zinc/05/00/56/167050056.db2.gz GLRNVIRANFCEJM-NXEZZACHSA-N 1 2 241.335 -0.033 20 0 BBADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1C[C@H]1C ZINC000331742298 167050053 /nfs/dbraw/zinc/05/00/53/167050053.db2.gz GLRNVIRANFCEJM-NXEZZACHSA-N 1 2 241.335 -0.033 20 0 BBADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1C[C@@H]1C ZINC000331742299 167049079 /nfs/dbraw/zinc/04/90/79/167049079.db2.gz GLRNVIRANFCEJM-UWVGGRQHSA-N 1 2 241.335 -0.033 20 0 BBADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1C[C@@H]1C ZINC000331742299 167049076 /nfs/dbraw/zinc/04/90/76/167049076.db2.gz GLRNVIRANFCEJM-UWVGGRQHSA-N 1 2 241.335 -0.033 20 0 BBADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1C[C@@H]1C ZINC000331742300 167049584 /nfs/dbraw/zinc/04/95/84/167049584.db2.gz GLRNVIRANFCEJM-VHSXEESVSA-N 1 2 241.335 -0.033 20 0 BBADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1C[C@@H]1C ZINC000331742300 167049583 /nfs/dbraw/zinc/04/95/83/167049583.db2.gz GLRNVIRANFCEJM-VHSXEESVSA-N 1 2 241.335 -0.033 20 0 BBADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1C[C@H]1C ZINC000331742301 167047743 /nfs/dbraw/zinc/04/77/43/167047743.db2.gz GLRNVIRANFCEJM-ZJUUUORDSA-N 1 2 241.335 -0.033 20 0 BBADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1C[C@H]1C ZINC000331742301 167047740 /nfs/dbraw/zinc/04/77/40/167047740.db2.gz GLRNVIRANFCEJM-ZJUUUORDSA-N 1 2 241.335 -0.033 20 0 BBADLO Cn1nnnc1C[N@@H+](CCO)C1CCC1 ZINC000331743836 386889038 /nfs/dbraw/zinc/88/90/38/386889038.db2.gz BRINDJYORWTMQF-UHFFFAOYSA-N 1 2 211.269 -0.443 20 0 BBADLO Cn1nnnc1C[N@H+](CCO)C1CCC1 ZINC000331743836 386889032 /nfs/dbraw/zinc/88/90/32/386889032.db2.gz BRINDJYORWTMQF-UHFFFAOYSA-N 1 2 211.269 -0.443 20 0 BBADLO CS(=O)(=O)NCC[N@@H+](CC(N)=O)C1CC1 ZINC000331764777 386896213 /nfs/dbraw/zinc/89/62/13/386896213.db2.gz HWTIHLGAZTVVSW-UHFFFAOYSA-N 1 2 235.309 -0.465 20 0 BBADLO CS(=O)(=O)NCC[N@H+](CC(N)=O)C1CC1 ZINC000331764777 386896210 /nfs/dbraw/zinc/89/62/10/386896210.db2.gz HWTIHLGAZTVVSW-UHFFFAOYSA-N 1 2 235.309 -0.465 20 0 BBADLO CNC(=O)CC[N@@H+](C)Cc1nnnn1C1CC1 ZINC000331766748 173250560 /nfs/dbraw/zinc/25/05/60/173250560.db2.gz LWJKDYONLYSNTJ-UHFFFAOYSA-N 1 2 238.295 -0.424 20 0 BBADLO CNC(=O)CC[N@H+](C)Cc1nnnn1C1CC1 ZINC000331766748 173250557 /nfs/dbraw/zinc/25/05/57/173250557.db2.gz LWJKDYONLYSNTJ-UHFFFAOYSA-N 1 2 238.295 -0.424 20 0 BBADLO Cn1nnnc1C[N@@H+](C)C1(CO)CCC1 ZINC000331767906 386897013 /nfs/dbraw/zinc/89/70/13/386897013.db2.gz KVPVXJBGENOFNP-UHFFFAOYSA-N 1 2 211.269 -0.443 20 0 BBADLO Cn1nnnc1C[N@H+](C)C1(CO)CCC1 ZINC000331767906 386897005 /nfs/dbraw/zinc/89/70/05/386897005.db2.gz KVPVXJBGENOFNP-UHFFFAOYSA-N 1 2 211.269 -0.443 20 0 BBADLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)NC1CC1 ZINC000331787752 386903642 /nfs/dbraw/zinc/90/36/42/386903642.db2.gz OOFMNAMIURWUEM-UHFFFAOYSA-N 1 2 242.323 -0.532 20 0 BBADLO CN(C)C(=O)NCC[N@H+](C)CC(=O)NC1CC1 ZINC000331787752 386903639 /nfs/dbraw/zinc/90/36/39/386903639.db2.gz OOFMNAMIURWUEM-UHFFFAOYSA-N 1 2 242.323 -0.532 20 0 BBADLO CCN(C)C(=O)C[N@@H+](C)CC(=O)NC1CC1 ZINC000331797471 386908678 /nfs/dbraw/zinc/90/86/78/386908678.db2.gz ROHYQRQOZIMOQU-UHFFFAOYSA-N 1 2 227.308 -0.325 20 0 BBADLO CCN(C)C(=O)C[N@H+](C)CC(=O)NC1CC1 ZINC000331797471 386908676 /nfs/dbraw/zinc/90/86/76/386908676.db2.gz ROHYQRQOZIMOQU-UHFFFAOYSA-N 1 2 227.308 -0.325 20 0 BBADLO CC(=O)[C@](C)(O)C[N@@H+](C)CC(=O)NC1CC1 ZINC000331800426 188227258 /nfs/dbraw/zinc/22/72/58/188227258.db2.gz SHSGGKAVOHPAGF-LLVKDONJSA-N 1 2 228.292 -0.463 20 0 BBADLO CC(=O)[C@](C)(O)C[N@H+](C)CC(=O)NC1CC1 ZINC000331800426 188227257 /nfs/dbraw/zinc/22/72/57/188227257.db2.gz SHSGGKAVOHPAGF-LLVKDONJSA-N 1 2 228.292 -0.463 20 0 BBADLO CC(=O)[C@@](C)(O)C[N@@H+](C)CC(=O)NC1CC1 ZINC000331800442 386907614 /nfs/dbraw/zinc/90/76/14/386907614.db2.gz SHSGGKAVOHPAGF-NSHDSACASA-N 1 2 228.292 -0.463 20 0 BBADLO CC(=O)[C@@](C)(O)C[N@H+](C)CC(=O)NC1CC1 ZINC000331800442 386907610 /nfs/dbraw/zinc/90/76/10/386907610.db2.gz SHSGGKAVOHPAGF-NSHDSACASA-N 1 2 228.292 -0.463 20 0 BBADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2nnnn2C)C1 ZINC000331803995 398312068 /nfs/dbraw/zinc/31/20/68/398312068.db2.gz SRJWKISOOFFSHI-OCAPTIKFSA-N 1 2 211.269 -0.181 20 0 BBADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2nnnn2C)C1 ZINC000331803995 398312066 /nfs/dbraw/zinc/31/20/66/398312066.db2.gz SRJWKISOOFFSHI-OCAPTIKFSA-N 1 2 211.269 -0.181 20 0 BBADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)C1CC1 ZINC000331804054 182325177 /nfs/dbraw/zinc/32/51/77/182325177.db2.gz FNUDAAACTSYUAW-JTQLQIEISA-N 1 2 228.292 -0.794 20 0 BBADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)C1CC1 ZINC000331804056 182287052 /nfs/dbraw/zinc/28/70/52/182287052.db2.gz FNUDAAACTSYUAW-SNVBAGLBSA-N 1 2 228.292 -0.794 20 0 BBADLO C[N@@H+](CC(=O)NC1CC1)[C@@H]1CCCNC1=O ZINC000331816620 386912026 /nfs/dbraw/zinc/91/20/26/386912026.db2.gz HMDKCCLDRGQDFM-SECBINFHSA-N 1 2 225.292 -0.525 20 0 BBADLO C[N@H+](CC(=O)NC1CC1)[C@@H]1CCCNC1=O ZINC000331816620 386912023 /nfs/dbraw/zinc/91/20/23/386912023.db2.gz HMDKCCLDRGQDFM-SECBINFHSA-N 1 2 225.292 -0.525 20 0 BBADLO C[N@@H+](CC(=O)NC1CC1)[C@H]1CCCNC1=O ZINC000331816624 386911803 /nfs/dbraw/zinc/91/18/03/386911803.db2.gz HMDKCCLDRGQDFM-VIFPVBQESA-N 1 2 225.292 -0.525 20 0 BBADLO C[N@H+](CC(=O)NC1CC1)[C@H]1CCCNC1=O ZINC000331816624 386911798 /nfs/dbraw/zinc/91/17/98/386911798.db2.gz HMDKCCLDRGQDFM-VIFPVBQESA-N 1 2 225.292 -0.525 20 0 BBADLO CCO[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000331832788 386914054 /nfs/dbraw/zinc/91/40/54/386914054.db2.gz JTJKEGLAJQVGHO-GHMZBOCLSA-N 1 2 242.319 -0.140 20 0 BBADLO CCO[C@H]1C[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000331832790 386914595 /nfs/dbraw/zinc/91/45/95/386914595.db2.gz JTJKEGLAJQVGHO-MNOVXSKESA-N 1 2 242.319 -0.140 20 0 BBADLO CCO[C@H]1C[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000331832793 386915171 /nfs/dbraw/zinc/91/51/71/386915171.db2.gz JTJKEGLAJQVGHO-QWRGUYRKSA-N 1 2 242.319 -0.140 20 0 BBADLO CCO[C@@H]1C[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000331832795 386070568 /nfs/dbraw/zinc/07/05/68/386070568.db2.gz JTJKEGLAJQVGHO-WDEREUQCSA-N 1 2 242.319 -0.140 20 0 BBADLO O=C1NC[C@@H]2CN(Cc3[nH]cc[nH+]3)CCN12 ZINC000331850645 386917575 /nfs/dbraw/zinc/91/75/75/386917575.db2.gz GQDDNQYNQXRELK-MRVPVSSYSA-N 1 2 221.264 -0.381 20 0 BBADLO O=C1NC[C@H]2CN(Cc3[nH]cc[nH+]3)CCN12 ZINC000331850658 386916640 /nfs/dbraw/zinc/91/66/40/386916640.db2.gz GQDDNQYNQXRELK-QMMMGPOBSA-N 1 2 221.264 -0.381 20 0 BBADLO CC(C)CNC(=O)[C@@H](C)[N@H+]1CCOC[C@H](O)C1 ZINC000331860442 346031483 /nfs/dbraw/zinc/03/14/83/346031483.db2.gz AJAUMTOWTUKXDK-GHMZBOCLSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCOC[C@H](O)C1 ZINC000331860442 346031481 /nfs/dbraw/zinc/03/14/81/346031481.db2.gz AJAUMTOWTUKXDK-GHMZBOCLSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)CNC(=O)[C@@H](C)[N@H+]1CCOC[C@@H](O)C1 ZINC000331860445 346031808 /nfs/dbraw/zinc/03/18/08/346031808.db2.gz AJAUMTOWTUKXDK-MNOVXSKESA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCOC[C@@H](O)C1 ZINC000331860445 346031806 /nfs/dbraw/zinc/03/18/06/346031806.db2.gz AJAUMTOWTUKXDK-MNOVXSKESA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)CNC(=O)[C@H](C)[N@H+]1CCOC[C@@H](O)C1 ZINC000331860449 346031547 /nfs/dbraw/zinc/03/15/47/346031547.db2.gz AJAUMTOWTUKXDK-QWRGUYRKSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1CCOC[C@@H](O)C1 ZINC000331860449 346031546 /nfs/dbraw/zinc/03/15/46/346031546.db2.gz AJAUMTOWTUKXDK-QWRGUYRKSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)CNC(=O)[C@H](C)[N@H+]1CCOC[C@H](O)C1 ZINC000331860452 346031815 /nfs/dbraw/zinc/03/18/15/346031815.db2.gz AJAUMTOWTUKXDK-WDEREUQCSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1CCOC[C@H](O)C1 ZINC000331860452 346031812 /nfs/dbraw/zinc/03/18/12/346031812.db2.gz AJAUMTOWTUKXDK-WDEREUQCSA-N 1 2 244.335 -0.160 20 0 BBADLO OC1(C(F)F)C[NH+](CC2(O)CCOCC2)C1 ZINC000331865406 183016980 /nfs/dbraw/zinc/01/69/80/183016980.db2.gz AKLHPGVMWSQOCT-UHFFFAOYSA-N 1 2 237.246 -0.160 20 0 BBADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CCOC[C@H](O)C1 ZINC000331894235 167372501 /nfs/dbraw/zinc/37/25/01/167372501.db2.gz DNQYDGAMDMTJRJ-GHMZBOCLSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCOC[C@H](O)C1 ZINC000331894235 167372498 /nfs/dbraw/zinc/37/24/98/167372498.db2.gz DNQYDGAMDMTJRJ-GHMZBOCLSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CCOC[C@@H](O)C1 ZINC000331894248 167373461 /nfs/dbraw/zinc/37/34/61/167373461.db2.gz DNQYDGAMDMTJRJ-MNOVXSKESA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCOC[C@@H](O)C1 ZINC000331894248 167373460 /nfs/dbraw/zinc/37/34/60/167373460.db2.gz DNQYDGAMDMTJRJ-MNOVXSKESA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCOC[C@@H](O)C1 ZINC000331894250 384938048 /nfs/dbraw/zinc/93/80/48/384938048.db2.gz DNQYDGAMDMTJRJ-QWRGUYRKSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCOC[C@@H](O)C1 ZINC000331894250 384938043 /nfs/dbraw/zinc/93/80/43/384938043.db2.gz DNQYDGAMDMTJRJ-QWRGUYRKSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCOC[C@H](O)C1 ZINC000331894252 384938490 /nfs/dbraw/zinc/93/84/90/384938490.db2.gz DNQYDGAMDMTJRJ-WDEREUQCSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCOC[C@H](O)C1 ZINC000331894252 384938480 /nfs/dbraw/zinc/93/84/80/384938480.db2.gz DNQYDGAMDMTJRJ-WDEREUQCSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(=O)NC1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000331895597 386921507 /nfs/dbraw/zinc/92/15/07/386921507.db2.gz AWRUFBAGMPEGTK-UHFFFAOYSA-N 1 2 236.275 -0.380 20 0 BBADLO COCC1(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000331904607 174087321 /nfs/dbraw/zinc/08/73/21/174087321.db2.gz STBMJXSBTYAQIM-UHFFFAOYSA-N 1 2 242.319 -0.139 20 0 BBADLO C[C@H](c1nnnn1C)[N@@H+](C)CC1(CO)CC1 ZINC000331915371 177055798 /nfs/dbraw/zinc/05/57/98/177055798.db2.gz PBCCKTCPTXWLGZ-MRVPVSSYSA-N 1 2 225.296 -0.025 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+](C)CC1(CO)CC1 ZINC000331915371 177055796 /nfs/dbraw/zinc/05/57/96/177055796.db2.gz PBCCKTCPTXWLGZ-MRVPVSSYSA-N 1 2 225.296 -0.025 20 0 BBADLO C[C@@H](c1nnnn1C)[N@@H+](C)CC1(CO)CC1 ZINC000331915377 176040681 /nfs/dbraw/zinc/04/06/81/176040681.db2.gz PBCCKTCPTXWLGZ-QMMMGPOBSA-N 1 2 225.296 -0.025 20 0 BBADLO C[C@@H](c1nnnn1C)[N@H+](C)CC1(CO)CC1 ZINC000331915377 176040679 /nfs/dbraw/zinc/04/06/79/176040679.db2.gz PBCCKTCPTXWLGZ-QMMMGPOBSA-N 1 2 225.296 -0.025 20 0 BBADLO O=C(C[N@@H+]1CCSC[C@@H]1CO)NCC1CC1 ZINC000331922581 386926503 /nfs/dbraw/zinc/92/65/03/386926503.db2.gz VNYWTVYXCAPBSA-JTQLQIEISA-N 1 2 244.360 -0.078 20 0 BBADLO O=C(C[N@H+]1CCSC[C@@H]1CO)NCC1CC1 ZINC000331922581 386926498 /nfs/dbraw/zinc/92/64/98/386926498.db2.gz VNYWTVYXCAPBSA-JTQLQIEISA-N 1 2 244.360 -0.078 20 0 BBADLO O=C(C[N@@H+]1CCSC[C@H]1CO)NCC1CC1 ZINC000331922584 181966560 /nfs/dbraw/zinc/96/65/60/181966560.db2.gz VNYWTVYXCAPBSA-SNVBAGLBSA-N 1 2 244.360 -0.078 20 0 BBADLO O=C(C[N@H+]1CCSC[C@H]1CO)NCC1CC1 ZINC000331922584 181966558 /nfs/dbraw/zinc/96/65/58/181966558.db2.gz VNYWTVYXCAPBSA-SNVBAGLBSA-N 1 2 244.360 -0.078 20 0 BBADLO O=c1[nH]nc2n1CCN(Cc1[nH]cc[nH+]1)C2 ZINC000331933730 183310387 /nfs/dbraw/zinc/31/03/87/183310387.db2.gz WDRCGYDFJNBHIC-UHFFFAOYSA-N 1 2 220.236 -0.277 20 0 BBADLO CO[C@H]1C[C@@H](C(N)=O)[N@@H+](CC(=O)NC2CC2)C1 ZINC000331958287 386931400 /nfs/dbraw/zinc/93/14/00/386931400.db2.gz UQUDVQABSMLSLU-IUCAKERBSA-N 1 2 241.291 -0.110 20 0 BBADLO CO[C@H]1C[C@@H](C(N)=O)[N@H+](CC(=O)NC2CC2)C1 ZINC000331958287 386931396 /nfs/dbraw/zinc/93/13/96/386931396.db2.gz UQUDVQABSMLSLU-IUCAKERBSA-N 1 2 241.291 -0.110 20 0 BBADLO CC1(C(=O)N[C@H](CO)C[NH+]2CCOCC2)CC1 ZINC000331961219 386930959 /nfs/dbraw/zinc/93/09/59/386930959.db2.gz ZVMBJMJXEDPTNB-JTQLQIEISA-N 1 2 242.319 -0.404 20 0 BBADLO CC1(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CC1 ZINC000331961221 386929971 /nfs/dbraw/zinc/92/99/71/386929971.db2.gz ZVMBJMJXEDPTNB-SNVBAGLBSA-N 1 2 242.319 -0.404 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)C1(O)CCC1 ZINC000331967184 386933608 /nfs/dbraw/zinc/93/36/08/386933608.db2.gz LFWMETJOIGEPHV-UHFFFAOYSA-N 1 2 209.249 -0.049 20 0 BBADLO COCCN1CC[N@@H+](CC2(O)CCC2)CC1=O ZINC000331971599 174309973 /nfs/dbraw/zinc/30/99/73/174309973.db2.gz LTANBAKCFDWRMA-UHFFFAOYSA-N 1 2 242.319 -0.308 20 0 BBADLO COCCN1CC[N@H+](CC2(O)CCC2)CC1=O ZINC000331971599 174309972 /nfs/dbraw/zinc/30/99/72/174309972.db2.gz LTANBAKCFDWRMA-UHFFFAOYSA-N 1 2 242.319 -0.308 20 0 BBADLO CO[C@@H](C(=O)N1CC[NH+](CCO)CC1)C1CC1 ZINC000331975496 386369413 /nfs/dbraw/zinc/36/94/13/386369413.db2.gz NXLYFYMIJUEGNC-LLVKDONJSA-N 1 2 242.319 -0.452 20 0 BBADLO CO[C@H](C(=O)N1CC[NH+](CCO)CC1)C1CC1 ZINC000331975516 174797892 /nfs/dbraw/zinc/79/78/92/174797892.db2.gz NXLYFYMIJUEGNC-NSHDSACASA-N 1 2 242.319 -0.452 20 0 BBADLO CC(C)C(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC000331980066 386934082 /nfs/dbraw/zinc/93/40/82/386934082.db2.gz CNLCVLPWWIIYNB-UHFFFAOYSA-N 1 2 241.335 -0.077 20 0 BBADLO CC(C)C(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC000331980066 386934077 /nfs/dbraw/zinc/93/40/77/386934077.db2.gz CNLCVLPWWIIYNB-UHFFFAOYSA-N 1 2 241.335 -0.077 20 0 BBADLO CC(=O)NC1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000331986379 386937007 /nfs/dbraw/zinc/93/70/07/386937007.db2.gz NYNWRYOBHUCALU-UHFFFAOYSA-N 1 2 236.275 -0.311 20 0 BBADLO CC[N@@H+](CCNS(C)(=O)=O)C1COC1 ZINC000331994002 386936831 /nfs/dbraw/zinc/93/68/31/386936831.db2.gz AZWQOOKBJGHLLB-UHFFFAOYSA-N 1 2 222.310 -0.744 20 0 BBADLO CC[N@H+](CCNS(C)(=O)=O)C1COC1 ZINC000331994002 386936826 /nfs/dbraw/zinc/93/68/26/386936826.db2.gz AZWQOOKBJGHLLB-UHFFFAOYSA-N 1 2 222.310 -0.744 20 0 BBADLO Cn1nnnc1C[N@@H+](C)CC1(CO)CC1 ZINC000331994668 386938721 /nfs/dbraw/zinc/93/87/21/386938721.db2.gz ZIMQKDBHEVXTIQ-UHFFFAOYSA-N 1 2 211.269 -0.586 20 0 BBADLO Cn1nnnc1C[N@H+](C)CC1(CO)CC1 ZINC000331994668 386938718 /nfs/dbraw/zinc/93/87/18/386938718.db2.gz ZIMQKDBHEVXTIQ-UHFFFAOYSA-N 1 2 211.269 -0.586 20 0 BBADLO CC[C@H](C(=O)N1CC(S(C)(=O)=O)C1)[NH+](C)C ZINC000331995705 171222222 /nfs/dbraw/zinc/22/22/22/171222222.db2.gz FGIGANILFFKVOM-SECBINFHSA-N 1 2 248.348 -0.418 20 0 BBADLO CC[C@@H](C(=O)N1CC(S(C)(=O)=O)C1)[NH+](C)C ZINC000331995720 187365892 /nfs/dbraw/zinc/36/58/92/187365892.db2.gz FGIGANILFFKVOM-VIFPVBQESA-N 1 2 248.348 -0.418 20 0 BBADLO CNC(=O)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000332002117 173224502 /nfs/dbraw/zinc/22/45/02/173224502.db2.gz PYHIIBHJICZBAN-UHFFFAOYSA-N 1 2 236.275 -0.453 20 0 BBADLO CC(C)[N@@H+](C)CC(=O)N1CC(S(C)(=O)=O)C1 ZINC000332003561 188226894 /nfs/dbraw/zinc/22/68/94/188226894.db2.gz GDDJTGXTFBJNKV-UHFFFAOYSA-N 1 2 248.348 -0.418 20 0 BBADLO CC(C)[N@H+](C)CC(=O)N1CC(S(C)(=O)=O)C1 ZINC000332003561 188226892 /nfs/dbraw/zinc/22/68/92/188226892.db2.gz GDDJTGXTFBJNKV-UHFFFAOYSA-N 1 2 248.348 -0.418 20 0 BBADLO COC[C@@H](O)C[NH+]1CC(O)(C(F)F)C1 ZINC000332005222 386405443 /nfs/dbraw/zinc/40/54/43/386405443.db2.gz GKJJHVPOWZPFOD-LURJTMIESA-N 1 2 211.208 -0.695 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC(CCO)C1 ZINC000332012274 170000764 /nfs/dbraw/zinc/00/07/64/170000764.db2.gz SMRIGJSAUVPJKP-LLVKDONJSA-N 1 2 242.319 -0.452 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC(CCO)C1 ZINC000332012274 170000763 /nfs/dbraw/zinc/00/07/63/170000763.db2.gz SMRIGJSAUVPJKP-LLVKDONJSA-N 1 2 242.319 -0.452 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC(CCO)C1 ZINC000332012277 170001279 /nfs/dbraw/zinc/00/12/79/170001279.db2.gz SMRIGJSAUVPJKP-NSHDSACASA-N 1 2 242.319 -0.452 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC(CCO)C1 ZINC000332012277 170001277 /nfs/dbraw/zinc/00/12/77/170001277.db2.gz SMRIGJSAUVPJKP-NSHDSACASA-N 1 2 242.319 -0.452 20 0 BBADLO CC[C@@H](C(=O)OC)[N@H+]1CCOC[C@H](O)C1 ZINC000332015557 386942282 /nfs/dbraw/zinc/94/22/82/386942282.db2.gz QEKNNGFRHKBVMP-BDAKNGLRSA-N 1 2 217.265 -0.369 20 0 BBADLO CC[C@@H](C(=O)OC)[N@@H+]1CCOC[C@H](O)C1 ZINC000332015557 386942279 /nfs/dbraw/zinc/94/22/79/386942279.db2.gz QEKNNGFRHKBVMP-BDAKNGLRSA-N 1 2 217.265 -0.369 20 0 BBADLO CC[C@H](C(=O)OC)[N@H+]1CCOC[C@@H](O)C1 ZINC000332015559 171241451 /nfs/dbraw/zinc/24/14/51/171241451.db2.gz QEKNNGFRHKBVMP-DTWKUNHWSA-N 1 2 217.265 -0.369 20 0 BBADLO CC[C@H](C(=O)OC)[N@@H+]1CCOC[C@@H](O)C1 ZINC000332015559 171241449 /nfs/dbraw/zinc/24/14/49/171241449.db2.gz QEKNNGFRHKBVMP-DTWKUNHWSA-N 1 2 217.265 -0.369 20 0 BBADLO CC[C@@H](C(=O)OC)[N@H+]1CCOC[C@@H](O)C1 ZINC000332015561 386942990 /nfs/dbraw/zinc/94/29/90/386942990.db2.gz QEKNNGFRHKBVMP-IUCAKERBSA-N 1 2 217.265 -0.369 20 0 BBADLO CC[C@@H](C(=O)OC)[N@@H+]1CCOC[C@@H](O)C1 ZINC000332015561 386942985 /nfs/dbraw/zinc/94/29/85/386942985.db2.gz QEKNNGFRHKBVMP-IUCAKERBSA-N 1 2 217.265 -0.369 20 0 BBADLO CC[C@H](C(=O)OC)[N@H+]1CCOC[C@H](O)C1 ZINC000332015564 171241345 /nfs/dbraw/zinc/24/13/45/171241345.db2.gz QEKNNGFRHKBVMP-RKDXNWHRSA-N 1 2 217.265 -0.369 20 0 BBADLO CC[C@H](C(=O)OC)[N@@H+]1CCOC[C@H](O)C1 ZINC000332015564 171241344 /nfs/dbraw/zinc/24/13/44/171241344.db2.gz QEKNNGFRHKBVMP-RKDXNWHRSA-N 1 2 217.265 -0.369 20 0 BBADLO CNC(=O)C[N@@H+](C)CC(=O)NCC1CCC1 ZINC000332019347 173266995 /nfs/dbraw/zinc/26/69/95/173266995.db2.gz IAVRCIWRYHYMGV-UHFFFAOYSA-N 1 2 227.308 -0.420 20 0 BBADLO CNC(=O)C[N@H+](C)CC(=O)NCC1CCC1 ZINC000332019347 173266994 /nfs/dbraw/zinc/26/69/94/173266994.db2.gz IAVRCIWRYHYMGV-UHFFFAOYSA-N 1 2 227.308 -0.420 20 0 BBADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC(C)C1 ZINC000332025485 168188899 /nfs/dbraw/zinc/18/88/99/168188899.db2.gz GTZDTAHCFMWABM-UHFFFAOYSA-N 1 2 241.335 -0.079 20 0 BBADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC(C)C1 ZINC000332025485 168188898 /nfs/dbraw/zinc/18/88/98/168188898.db2.gz GTZDTAHCFMWABM-UHFFFAOYSA-N 1 2 241.335 -0.079 20 0 BBADLO CCC[N@@H+](CC(=O)NC)CC(=O)N1CCC1 ZINC000332030655 169094657 /nfs/dbraw/zinc/09/46/57/169094657.db2.gz JODDPBAFYLTOJA-UHFFFAOYSA-N 1 2 227.308 -0.323 20 0 BBADLO CCC[N@H+](CC(=O)NC)CC(=O)N1CCC1 ZINC000332030655 169094653 /nfs/dbraw/zinc/09/46/53/169094653.db2.gz JODDPBAFYLTOJA-UHFFFAOYSA-N 1 2 227.308 -0.323 20 0 BBADLO CC1(O)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000332036026 168067967 /nfs/dbraw/zinc/06/79/67/168067967.db2.gz PGNCPAAHSSQPTJ-UHFFFAOYSA-N 1 2 209.249 -0.065 20 0 BBADLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC000332036942 386945954 /nfs/dbraw/zinc/94/59/54/386945954.db2.gz KUJUXIBWVAGERK-UHFFFAOYSA-N 1 2 242.323 -0.578 20 0 BBADLO CN(C)C(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC000332036942 386945948 /nfs/dbraw/zinc/94/59/48/386945948.db2.gz KUJUXIBWVAGERK-UHFFFAOYSA-N 1 2 242.323 -0.578 20 0 BBADLO CNC(=O)C[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000332041291 173274229 /nfs/dbraw/zinc/27/42/29/173274229.db2.gz UJJAARIZGHSLDK-SECBINFHSA-N 1 2 248.348 -0.369 20 0 BBADLO CNC(=O)C[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000332041291 173274228 /nfs/dbraw/zinc/27/42/28/173274228.db2.gz UJJAARIZGHSLDK-SECBINFHSA-N 1 2 248.348 -0.369 20 0 BBADLO CNC(=O)C[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000332041292 173274071 /nfs/dbraw/zinc/27/40/71/173274071.db2.gz UJJAARIZGHSLDK-VIFPVBQESA-N 1 2 248.348 -0.369 20 0 BBADLO CNC(=O)C[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000332041292 173274070 /nfs/dbraw/zinc/27/40/70/173274070.db2.gz UJJAARIZGHSLDK-VIFPVBQESA-N 1 2 248.348 -0.369 20 0 BBADLO CCOC(=O)[C@@H](C)[N@H+]1CCOC[C@@H](O)C1 ZINC000332061450 191117229 /nfs/dbraw/zinc/11/72/29/191117229.db2.gz YVTHGEQNIPCFMD-BDAKNGLRSA-N 1 2 217.265 -0.369 20 0 BBADLO CCOC(=O)[C@@H](C)[N@@H+]1CCOC[C@@H](O)C1 ZINC000332061450 191117227 /nfs/dbraw/zinc/11/72/27/191117227.db2.gz YVTHGEQNIPCFMD-BDAKNGLRSA-N 1 2 217.265 -0.369 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+]1CCOC[C@H](O)C1 ZINC000332061452 170266373 /nfs/dbraw/zinc/26/63/73/170266373.db2.gz YVTHGEQNIPCFMD-DTWKUNHWSA-N 1 2 217.265 -0.369 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+]1CCOC[C@H](O)C1 ZINC000332061452 170266372 /nfs/dbraw/zinc/26/63/72/170266372.db2.gz YVTHGEQNIPCFMD-DTWKUNHWSA-N 1 2 217.265 -0.369 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+]1CCOC[C@@H](O)C1 ZINC000332061453 170266471 /nfs/dbraw/zinc/26/64/71/170266471.db2.gz YVTHGEQNIPCFMD-IUCAKERBSA-N 1 2 217.265 -0.369 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+]1CCOC[C@@H](O)C1 ZINC000332061453 170266470 /nfs/dbraw/zinc/26/64/70/170266470.db2.gz YVTHGEQNIPCFMD-IUCAKERBSA-N 1 2 217.265 -0.369 20 0 BBADLO CCOC(=O)[C@@H](C)[N@H+]1CCOC[C@H](O)C1 ZINC000332061455 188333687 /nfs/dbraw/zinc/33/36/87/188333687.db2.gz YVTHGEQNIPCFMD-RKDXNWHRSA-N 1 2 217.265 -0.369 20 0 BBADLO CCOC(=O)[C@@H](C)[N@@H+]1CCOC[C@H](O)C1 ZINC000332061455 188333685 /nfs/dbraw/zinc/33/36/85/188333685.db2.gz YVTHGEQNIPCFMD-RKDXNWHRSA-N 1 2 217.265 -0.369 20 0 BBADLO CCNC(=O)NC(=O)C[N@@H+](C(C)C)C1COC1 ZINC000332077911 170076142 /nfs/dbraw/zinc/07/61/42/170076142.db2.gz XSQMYDUEEJBLFD-UHFFFAOYSA-N 1 2 243.307 -0.059 20 0 BBADLO CCNC(=O)NC(=O)C[N@H+](C(C)C)C1COC1 ZINC000332077911 170076140 /nfs/dbraw/zinc/07/61/40/170076140.db2.gz XSQMYDUEEJBLFD-UHFFFAOYSA-N 1 2 243.307 -0.059 20 0 BBADLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)CO)C1 ZINC000332106930 173100890 /nfs/dbraw/zinc/10/08/90/173100890.db2.gz DAUWETDKJGVEHV-LLVKDONJSA-N 1 2 242.319 -0.452 20 0 BBADLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)CO)C1 ZINC000332106930 173100886 /nfs/dbraw/zinc/10/08/86/173100886.db2.gz DAUWETDKJGVEHV-LLVKDONJSA-N 1 2 242.319 -0.452 20 0 BBADLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)CO)C1 ZINC000332106931 173107537 /nfs/dbraw/zinc/10/75/37/173107537.db2.gz DAUWETDKJGVEHV-NSHDSACASA-N 1 2 242.319 -0.452 20 0 BBADLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)CO)C1 ZINC000332106931 173107535 /nfs/dbraw/zinc/10/75/35/173107535.db2.gz DAUWETDKJGVEHV-NSHDSACASA-N 1 2 242.319 -0.452 20 0 BBADLO CCO[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000332127486 386964300 /nfs/dbraw/zinc/96/43/00/386964300.db2.gz JAHFRBDAQSXHIV-GARJFASQSA-N 1 2 242.319 -0.142 20 0 BBADLO CCO[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000332127486 386964292 /nfs/dbraw/zinc/96/42/92/386964292.db2.gz JAHFRBDAQSXHIV-GARJFASQSA-N 1 2 242.319 -0.142 20 0 BBADLO CCO[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000332127489 386963660 /nfs/dbraw/zinc/96/36/60/386963660.db2.gz JAHFRBDAQSXHIV-GMTAPVOTSA-N 1 2 242.319 -0.142 20 0 BBADLO CCO[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000332127489 386963652 /nfs/dbraw/zinc/96/36/52/386963652.db2.gz JAHFRBDAQSXHIV-GMTAPVOTSA-N 1 2 242.319 -0.142 20 0 BBADLO CCO[C@@H]1C[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000332127492 386964455 /nfs/dbraw/zinc/96/44/55/386964455.db2.gz JAHFRBDAQSXHIV-HBNTYKKESA-N 1 2 242.319 -0.142 20 0 BBADLO CCO[C@@H]1C[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000332127492 386964450 /nfs/dbraw/zinc/96/44/50/386964450.db2.gz JAHFRBDAQSXHIV-HBNTYKKESA-N 1 2 242.319 -0.142 20 0 BBADLO CCO[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000332127495 386962857 /nfs/dbraw/zinc/96/28/57/386962857.db2.gz JAHFRBDAQSXHIV-OUAUKWLOSA-N 1 2 242.319 -0.142 20 0 BBADLO CCO[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000332127495 386962854 /nfs/dbraw/zinc/96/28/54/386962854.db2.gz JAHFRBDAQSXHIV-OUAUKWLOSA-N 1 2 242.319 -0.142 20 0 BBADLO O[C@@H](Cn1cccn1)CN1CCn2cc[nH+]c2C1 ZINC000332159860 183221382 /nfs/dbraw/zinc/22/13/82/183221382.db2.gz OKXDVQJRPGFMCC-LLVKDONJSA-N 1 2 247.302 -0.044 20 0 BBADLO O[C@H](Cn1cccn1)CN1CCn2cc[nH+]c2C1 ZINC000332159866 183177614 /nfs/dbraw/zinc/17/76/14/183177614.db2.gz OKXDVQJRPGFMCC-NSHDSACASA-N 1 2 247.302 -0.044 20 0 BBADLO COCC1(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000332170573 174088630 /nfs/dbraw/zinc/08/86/30/174088630.db2.gz UCRMZNRHBLEMJX-JTQLQIEISA-N 1 2 242.319 -0.140 20 0 BBADLO COCC1(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000332170573 174088629 /nfs/dbraw/zinc/08/86/29/174088629.db2.gz UCRMZNRHBLEMJX-JTQLQIEISA-N 1 2 242.319 -0.140 20 0 BBADLO COCC1(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000332170582 174088609 /nfs/dbraw/zinc/08/86/09/174088609.db2.gz UCRMZNRHBLEMJX-SNVBAGLBSA-N 1 2 242.319 -0.140 20 0 BBADLO COCC1(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000332170582 174088607 /nfs/dbraw/zinc/08/86/07/174088607.db2.gz UCRMZNRHBLEMJX-SNVBAGLBSA-N 1 2 242.319 -0.140 20 0 BBADLO CC(=O)C1(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000332175333 386966497 /nfs/dbraw/zinc/96/64/97/386966497.db2.gz VCUUOENDNNZFAR-JTQLQIEISA-N 1 2 240.303 -0.198 20 0 BBADLO CC(=O)C1(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000332175333 386966491 /nfs/dbraw/zinc/96/64/91/386966491.db2.gz VCUUOENDNNZFAR-JTQLQIEISA-N 1 2 240.303 -0.198 20 0 BBADLO CC(=O)C1(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000332175335 386965553 /nfs/dbraw/zinc/96/55/53/386965553.db2.gz VCUUOENDNNZFAR-SNVBAGLBSA-N 1 2 240.303 -0.198 20 0 BBADLO CC(=O)C1(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000332175335 386965547 /nfs/dbraw/zinc/96/55/47/386965547.db2.gz VCUUOENDNNZFAR-SNVBAGLBSA-N 1 2 240.303 -0.198 20 0 BBADLO COc1ccc(C[N@H+]2CCNC(=O)CC2)nn1 ZINC000332225488 175099653 /nfs/dbraw/zinc/09/96/53/175099653.db2.gz MDMXNTRUWBBELI-UHFFFAOYSA-N 1 2 236.275 -0.193 20 0 BBADLO COc1ccc(C[N@@H+]2CCNC(=O)CC2)nn1 ZINC000332225488 175099651 /nfs/dbraw/zinc/09/96/51/175099651.db2.gz MDMXNTRUWBBELI-UHFFFAOYSA-N 1 2 236.275 -0.193 20 0 BBADLO CN(C)c1nccc(C[N@H+]2CCNC(=O)CC2)n1 ZINC000332230255 386969657 /nfs/dbraw/zinc/96/96/57/386969657.db2.gz OEAXOUYNHMMCFX-UHFFFAOYSA-N 1 2 249.318 -0.136 20 0 BBADLO CN(C)c1nccc(C[N@@H+]2CCNC(=O)CC2)n1 ZINC000332230255 386969651 /nfs/dbraw/zinc/96/96/51/386969651.db2.gz OEAXOUYNHMMCFX-UHFFFAOYSA-N 1 2 249.318 -0.136 20 0 BBADLO CN(CCCn1cc[nH+]c1)Cc1nnnn1C ZINC000332287832 383868900 /nfs/dbraw/zinc/86/89/00/383868900.db2.gz GWWPPGVHOXRSIF-UHFFFAOYSA-N 1 2 235.295 -0.071 20 0 BBADLO CN1CC[C@H]([N@H+]2CC[C@@H](S(C)(=O)=O)C2)C1=O ZINC000332324753 173150098 /nfs/dbraw/zinc/15/00/98/173150098.db2.gz AIMXWHUQTKSJNJ-BDAKNGLRSA-N 1 2 246.332 -0.664 20 0 BBADLO CN1CC[C@H]([N@@H+]2CC[C@@H](S(C)(=O)=O)C2)C1=O ZINC000332324753 173150096 /nfs/dbraw/zinc/15/00/96/173150096.db2.gz AIMXWHUQTKSJNJ-BDAKNGLRSA-N 1 2 246.332 -0.664 20 0 BBADLO CN1CC[C@@H]([N@H+]2CC[C@H](S(C)(=O)=O)C2)C1=O ZINC000332325489 173120575 /nfs/dbraw/zinc/12/05/75/173120575.db2.gz AIMXWHUQTKSJNJ-DTWKUNHWSA-N 1 2 246.332 -0.664 20 0 BBADLO CN1CC[C@@H]([N@@H+]2CC[C@H](S(C)(=O)=O)C2)C1=O ZINC000332325489 173120574 /nfs/dbraw/zinc/12/05/74/173120574.db2.gz AIMXWHUQTKSJNJ-DTWKUNHWSA-N 1 2 246.332 -0.664 20 0 BBADLO CN1CC[C@H]([N@H+]2CC[C@H](S(C)(=O)=O)C2)C1=O ZINC000332325494 173149682 /nfs/dbraw/zinc/14/96/82/173149682.db2.gz AIMXWHUQTKSJNJ-IUCAKERBSA-N 1 2 246.332 -0.664 20 0 BBADLO CN1CC[C@H]([N@@H+]2CC[C@H](S(C)(=O)=O)C2)C1=O ZINC000332325494 173149681 /nfs/dbraw/zinc/14/96/81/173149681.db2.gz AIMXWHUQTKSJNJ-IUCAKERBSA-N 1 2 246.332 -0.664 20 0 BBADLO CN1CC[C@@H]([N@H+]2CC[C@@H](S(C)(=O)=O)C2)C1=O ZINC000332325497 173120255 /nfs/dbraw/zinc/12/02/55/173120255.db2.gz AIMXWHUQTKSJNJ-RKDXNWHRSA-N 1 2 246.332 -0.664 20 0 BBADLO CN1CC[C@@H]([N@@H+]2CC[C@@H](S(C)(=O)=O)C2)C1=O ZINC000332325497 173120251 /nfs/dbraw/zinc/12/02/51/173120251.db2.gz AIMXWHUQTKSJNJ-RKDXNWHRSA-N 1 2 246.332 -0.664 20 0 BBADLO NC(=O)NC(=O)CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000332325552 181254796 /nfs/dbraw/zinc/25/47/96/181254796.db2.gz AJCALXWSKRXYQU-SSDOTTSWSA-N 1 2 237.263 -0.259 20 0 BBADLO NC(=O)NC(=O)CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000332325556 181254663 /nfs/dbraw/zinc/25/46/63/181254663.db2.gz AJCALXWSKRXYQU-ZETCQYMHSA-N 1 2 237.263 -0.259 20 0 BBADLO C[N@@H+](Cc1nccc(N)n1)C1CC(O)C1 ZINC000332427097 410615815 /nfs/dbraw/zinc/61/58/15/410615815.db2.gz FUBRTIHHSURGRL-UHFFFAOYSA-N 1 2 208.265 0.014 20 0 BBADLO C[N@H+](Cc1nccc(N)n1)C1CC(O)C1 ZINC000332427097 410615811 /nfs/dbraw/zinc/61/58/11/410615811.db2.gz FUBRTIHHSURGRL-UHFFFAOYSA-N 1 2 208.265 0.014 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000332428995 170002008 /nfs/dbraw/zinc/00/20/08/170002008.db2.gz GOCNEFOVZQUUOC-FOGDFJRCSA-N 1 2 242.319 -0.263 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000332428995 170002006 /nfs/dbraw/zinc/00/20/06/170002006.db2.gz GOCNEFOVZQUUOC-FOGDFJRCSA-N 1 2 242.319 -0.263 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000332428998 383950700 /nfs/dbraw/zinc/95/07/00/383950700.db2.gz GOCNEFOVZQUUOC-JBLDHEPKSA-N 1 2 242.319 -0.263 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000332428998 383950693 /nfs/dbraw/zinc/95/06/93/383950693.db2.gz GOCNEFOVZQUUOC-JBLDHEPKSA-N 1 2 242.319 -0.263 20 0 BBADLO CC(=O)[C@@](C)(O)C[N@H+](C)CC(=O)N(C)C ZINC000332458505 188275715 /nfs/dbraw/zinc/27/57/15/188275715.db2.gz IIUJASFMTAYJKL-JTQLQIEISA-N 1 2 216.281 -0.654 20 0 BBADLO CC(=O)[C@@](C)(O)C[N@@H+](C)CC(=O)N(C)C ZINC000332458505 188275713 /nfs/dbraw/zinc/27/57/13/188275713.db2.gz IIUJASFMTAYJKL-JTQLQIEISA-N 1 2 216.281 -0.654 20 0 BBADLO CC(=O)[C@](C)(O)C[N@H+](C)CC(=O)N(C)C ZINC000332458509 383996007 /nfs/dbraw/zinc/99/60/07/383996007.db2.gz IIUJASFMTAYJKL-SNVBAGLBSA-N 1 2 216.281 -0.654 20 0 BBADLO CC(=O)[C@](C)(O)C[N@@H+](C)CC(=O)N(C)C ZINC000332458509 383996003 /nfs/dbraw/zinc/99/60/03/383996003.db2.gz IIUJASFMTAYJKL-SNVBAGLBSA-N 1 2 216.281 -0.654 20 0 BBADLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@@H+](CCCO)C1 ZINC000332458938 386982470 /nfs/dbraw/zinc/98/24/70/386982470.db2.gz ZYHBRCHQRNSKFS-BDAKNGLRSA-N 1 2 226.280 -0.051 20 0 BBADLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@H+](CCCO)C1 ZINC000332458938 386982464 /nfs/dbraw/zinc/98/24/64/386982464.db2.gz ZYHBRCHQRNSKFS-BDAKNGLRSA-N 1 2 226.280 -0.051 20 0 BBADLO CC(=O)N1CC(C(=O)Nc2cc[nH+]cc2O)C1 ZINC000332468465 187365156 /nfs/dbraw/zinc/36/51/56/187365156.db2.gz RCMGITFKUGBEIU-UHFFFAOYSA-N 1 2 235.243 -0.374 20 0 BBADLO CNC(=O)C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000332480021 173266824 /nfs/dbraw/zinc/26/68/24/173266824.db2.gz BKOBBYMUIYNQHD-RXMQYKEDSA-N 1 2 214.187 -0.413 20 0 BBADLO CNC(=O)C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000332480021 173266821 /nfs/dbraw/zinc/26/68/21/173266821.db2.gz BKOBBYMUIYNQHD-RXMQYKEDSA-N 1 2 214.187 -0.413 20 0 BBADLO CNC(=O)C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000332480023 173266814 /nfs/dbraw/zinc/26/68/14/173266814.db2.gz BKOBBYMUIYNQHD-YFKPBYRVSA-N 1 2 214.187 -0.413 20 0 BBADLO CNC(=O)C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000332480023 173266813 /nfs/dbraw/zinc/26/68/13/173266813.db2.gz BKOBBYMUIYNQHD-YFKPBYRVSA-N 1 2 214.187 -0.413 20 0 BBADLO CC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CC(=O)NC ZINC000332488197 386982232 /nfs/dbraw/zinc/98/22/32/386982232.db2.gz DQMTVORVXLOADD-BDAKNGLRSA-N 1 2 229.324 -0.033 20 0 BBADLO CC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)CC(=O)NC ZINC000332488197 386982226 /nfs/dbraw/zinc/98/22/26/386982226.db2.gz DQMTVORVXLOADD-BDAKNGLRSA-N 1 2 229.324 -0.033 20 0 BBADLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)NC ZINC000332488200 171330987 /nfs/dbraw/zinc/33/09/87/171330987.db2.gz DQMTVORVXLOADD-DTWKUNHWSA-N 1 2 229.324 -0.033 20 0 BBADLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CC(=O)NC ZINC000332488200 171330985 /nfs/dbraw/zinc/33/09/85/171330985.db2.gz DQMTVORVXLOADD-DTWKUNHWSA-N 1 2 229.324 -0.033 20 0 BBADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CC(=O)NC ZINC000332488201 171333760 /nfs/dbraw/zinc/33/37/60/171333760.db2.gz DQMTVORVXLOADD-IUCAKERBSA-N 1 2 229.324 -0.033 20 0 BBADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+](C)CC(=O)NC ZINC000332488201 171333758 /nfs/dbraw/zinc/33/37/58/171333758.db2.gz DQMTVORVXLOADD-IUCAKERBSA-N 1 2 229.324 -0.033 20 0 BBADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)NC ZINC000332488203 386981607 /nfs/dbraw/zinc/98/16/07/386981607.db2.gz DQMTVORVXLOADD-RKDXNWHRSA-N 1 2 229.324 -0.033 20 0 BBADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CC(=O)NC ZINC000332488203 386981602 /nfs/dbraw/zinc/98/16/02/386981602.db2.gz DQMTVORVXLOADD-RKDXNWHRSA-N 1 2 229.324 -0.033 20 0 BBADLO CC(=O)[C@](C)(O)C[N@H+](C)CC(=O)NC(C)C ZINC000332488302 384033318 /nfs/dbraw/zinc/03/33/18/384033318.db2.gz QAQIKZMFISVLEI-LLVKDONJSA-N 1 2 230.308 -0.217 20 0 BBADLO CC(=O)[C@](C)(O)C[N@@H+](C)CC(=O)NC(C)C ZINC000332488302 384033312 /nfs/dbraw/zinc/03/33/12/384033312.db2.gz QAQIKZMFISVLEI-LLVKDONJSA-N 1 2 230.308 -0.217 20 0 BBADLO CC(=O)[C@@](C)(O)C[N@H+](C)CC(=O)NC(C)C ZINC000332488306 187246810 /nfs/dbraw/zinc/24/68/10/187246810.db2.gz QAQIKZMFISVLEI-NSHDSACASA-N 1 2 230.308 -0.217 20 0 BBADLO CC(=O)[C@@](C)(O)C[N@@H+](C)CC(=O)NC(C)C ZINC000332488306 187246808 /nfs/dbraw/zinc/24/68/08/187246808.db2.gz QAQIKZMFISVLEI-NSHDSACASA-N 1 2 230.308 -0.217 20 0 BBADLO CNC(=O)C[N@@H+](C)C[C@@](C)(O)C(F)(F)F ZINC000332488391 173267211 /nfs/dbraw/zinc/26/72/11/173267211.db2.gz QBVQVZAWASVXSU-SSDOTTSWSA-N 1 2 228.214 -0.023 20 0 BBADLO CNC(=O)C[N@H+](C)C[C@@](C)(O)C(F)(F)F ZINC000332488391 173267210 /nfs/dbraw/zinc/26/72/10/173267210.db2.gz QBVQVZAWASVXSU-SSDOTTSWSA-N 1 2 228.214 -0.023 20 0 BBADLO CNC(=O)C[N@@H+](C)C[C@](C)(O)C(F)(F)F ZINC000332488399 173268254 /nfs/dbraw/zinc/26/82/54/173268254.db2.gz QBVQVZAWASVXSU-ZETCQYMHSA-N 1 2 228.214 -0.023 20 0 BBADLO CNC(=O)C[N@H+](C)C[C@](C)(O)C(F)(F)F ZINC000332488399 173268251 /nfs/dbraw/zinc/26/82/51/173268251.db2.gz QBVQVZAWASVXSU-ZETCQYMHSA-N 1 2 228.214 -0.023 20 0 BBADLO CNC(=O)C[N@@H+](C)[C@H](C)C(=O)NCC(C)C ZINC000332492340 173270170 /nfs/dbraw/zinc/27/01/70/173270170.db2.gz FPXVXUZMNBODCA-SECBINFHSA-N 1 2 229.324 -0.175 20 0 BBADLO CNC(=O)C[N@H+](C)[C@H](C)C(=O)NCC(C)C ZINC000332492340 173270169 /nfs/dbraw/zinc/27/01/69/173270169.db2.gz FPXVXUZMNBODCA-SECBINFHSA-N 1 2 229.324 -0.175 20 0 BBADLO CNC(=O)C[N@@H+](C)[C@@H](C)C(=O)NCC(C)C ZINC000332492341 173269427 /nfs/dbraw/zinc/26/94/27/173269427.db2.gz FPXVXUZMNBODCA-VIFPVBQESA-N 1 2 229.324 -0.175 20 0 BBADLO CNC(=O)C[N@H+](C)[C@@H](C)C(=O)NCC(C)C ZINC000332492341 173269424 /nfs/dbraw/zinc/26/94/24/173269424.db2.gz FPXVXUZMNBODCA-VIFPVBQESA-N 1 2 229.324 -0.175 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)N(C)C ZINC000332495433 384044968 /nfs/dbraw/zinc/04/49/68/384044968.db2.gz RUESKSFEVFADGX-MRVPVSSYSA-N 1 2 231.296 -0.249 20 0 BBADLO COC(=O)[C@@H](C)[N@H+](C)CCNC(=O)N(C)C ZINC000332495433 384044967 /nfs/dbraw/zinc/04/49/67/384044967.db2.gz RUESKSFEVFADGX-MRVPVSSYSA-N 1 2 231.296 -0.249 20 0 BBADLO COC(=O)[C@H](C)[N@@H+](C)CCNC(=O)N(C)C ZINC000332495434 384045016 /nfs/dbraw/zinc/04/50/16/384045016.db2.gz RUESKSFEVFADGX-QMMMGPOBSA-N 1 2 231.296 -0.249 20 0 BBADLO COC(=O)[C@H](C)[N@H+](C)CCNC(=O)N(C)C ZINC000332495434 384045012 /nfs/dbraw/zinc/04/50/12/384045012.db2.gz RUESKSFEVFADGX-QMMMGPOBSA-N 1 2 231.296 -0.249 20 0 BBADLO CCN(C)C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000332496562 384041645 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/nfs/dbraw/zinc/26/75/15/173267515.db2.gz WHQLCBBNRFONQV-QMMMGPOBSA-N 1 2 236.337 -0.655 20 0 BBADLO CNC(=O)C[N@H+](C)C[C@H](C)CS(C)(=O)=O ZINC000332499843 173267513 /nfs/dbraw/zinc/26/75/13/173267513.db2.gz WHQLCBBNRFONQV-QMMMGPOBSA-N 1 2 236.337 -0.655 20 0 BBADLO CCNC(=O)C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000332503170 170054074 /nfs/dbraw/zinc/05/40/74/170054074.db2.gz JKZMNIMFSLIKNT-LURJTMIESA-N 1 2 228.214 -0.023 20 0 BBADLO CCNC(=O)C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000332503170 170054073 /nfs/dbraw/zinc/05/40/73/170054073.db2.gz JKZMNIMFSLIKNT-LURJTMIESA-N 1 2 228.214 -0.023 20 0 BBADLO CCNC(=O)C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000332503171 170053943 /nfs/dbraw/zinc/05/39/43/170053943.db2.gz JKZMNIMFSLIKNT-ZCFIWIBFSA-N 1 2 228.214 -0.023 20 0 BBADLO CCNC(=O)C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000332503171 170053942 /nfs/dbraw/zinc/05/39/42/170053942.db2.gz JKZMNIMFSLIKNT-ZCFIWIBFSA-N 1 2 228.214 -0.023 20 0 BBADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000332507828 384066731 /nfs/dbraw/zinc/06/67/31/384066731.db2.gz WFDHVQQJSMQDHK-UHFFFAOYSA-N 1 2 244.339 -0.332 20 0 BBADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)N(C)C ZINC000332507828 384066725 /nfs/dbraw/zinc/06/67/25/384066725.db2.gz WFDHVQQJSMQDHK-UHFFFAOYSA-N 1 2 244.339 -0.332 20 0 BBADLO CCN(C)C(=O)C[N@@H+](C)CC(=O)NC ZINC000332509039 398313694 /nfs/dbraw/zinc/31/36/94/398313694.db2.gz LOLHZBUWRIYVDX-UHFFFAOYSA-N 1 2 201.270 -0.858 20 0 BBADLO CCN(C)C(=O)C[N@H+](C)CC(=O)NC ZINC000332509039 398313692 /nfs/dbraw/zinc/31/36/92/398313692.db2.gz LOLHZBUWRIYVDX-UHFFFAOYSA-N 1 2 201.270 -0.858 20 0 BBADLO CC(C)NC(=O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000332512257 167048522 /nfs/dbraw/zinc/04/85/22/167048522.db2.gz YBXWQGUDTQLISY-UHFFFAOYSA-N 1 2 244.339 -0.286 20 0 BBADLO CC(C)NC(=O)C[N@H+](C)CCNC(=O)N(C)C ZINC000332512257 167048519 /nfs/dbraw/zinc/04/85/19/167048519.db2.gz YBXWQGUDTQLISY-UHFFFAOYSA-N 1 2 244.339 -0.286 20 0 BBADLO CNC(=O)C[N@@H+](C)[C@H](C)C(=O)N(C)C(C)C ZINC000332513280 173269707 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/nfs/dbraw/zinc/24/44/52/169244452.db2.gz OJJZDLJUSYXFCS-QMMMGPOBSA-N 1 2 215.297 -0.421 20 0 BBADLO CCCNC(=O)[C@H](C)[N@H+](C)CC(=O)NC ZINC000332515191 169244450 /nfs/dbraw/zinc/24/44/50/169244450.db2.gz OJJZDLJUSYXFCS-QMMMGPOBSA-N 1 2 215.297 -0.421 20 0 BBADLO CNC(=O)C[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC000332518990 173269527 /nfs/dbraw/zinc/26/95/27/173269527.db2.gz QSDUMCOKSOCZML-SSDOTTSWSA-N 1 2 201.270 -0.859 20 0 BBADLO CNC(=O)C[N@H+](C)[C@H](C)C(=O)N(C)C ZINC000332518990 173269526 /nfs/dbraw/zinc/26/95/26/173269526.db2.gz QSDUMCOKSOCZML-SSDOTTSWSA-N 1 2 201.270 -0.859 20 0 BBADLO CNC(=O)C[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC000332518991 173268831 /nfs/dbraw/zinc/26/88/31/173268831.db2.gz QSDUMCOKSOCZML-ZETCQYMHSA-N 1 2 201.270 -0.859 20 0 BBADLO CNC(=O)C[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC000332518991 173268828 /nfs/dbraw/zinc/26/88/28/173268828.db2.gz QSDUMCOKSOCZML-ZETCQYMHSA-N 1 2 201.270 -0.859 20 0 BBADLO CNC(=O)C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000332532857 173270070 /nfs/dbraw/zinc/27/00/70/173270070.db2.gz YXQOEGLAGKJLBB-MRVPVSSYSA-N 1 2 229.324 -0.033 20 0 BBADLO CNC(=O)C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000332532857 173270066 /nfs/dbraw/zinc/27/00/66/173270066.db2.gz YXQOEGLAGKJLBB-MRVPVSSYSA-N 1 2 229.324 -0.033 20 0 BBADLO CNC(=O)C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000332532858 173269176 /nfs/dbraw/zinc/26/91/76/173269176.db2.gz YXQOEGLAGKJLBB-QMMMGPOBSA-N 1 2 229.324 -0.033 20 0 BBADLO CNC(=O)C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000332532858 173269175 /nfs/dbraw/zinc/26/91/75/173269175.db2.gz YXQOEGLAGKJLBB-QMMMGPOBSA-N 1 2 229.324 -0.033 20 0 BBADLO CCN(CC)C(=O)[C@@H](C)[N@@H+](C)CC(=O)NC ZINC000332534320 386992719 /nfs/dbraw/zinc/99/27/19/386992719.db2.gz ZXDRQAGZQSPGFE-SECBINFHSA-N 1 2 229.324 -0.079 20 0 BBADLO CCN(CC)C(=O)[C@@H](C)[N@H+](C)CC(=O)NC ZINC000332534320 386992715 /nfs/dbraw/zinc/99/27/15/386992715.db2.gz ZXDRQAGZQSPGFE-SECBINFHSA-N 1 2 229.324 -0.079 20 0 BBADLO CCN(CC)C(=O)[C@H](C)[N@@H+](C)CC(=O)NC ZINC000332534321 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386992918 /nfs/dbraw/zinc/99/29/18/386992918.db2.gz BOYOQRDMVIFDCD-SSDOTTSWSA-N 1 2 225.252 -0.795 20 0 BBADLO COC(=O)[C@@H]1CC[N@H+](Cc2nnnn2C)C1 ZINC000332604463 386992915 /nfs/dbraw/zinc/99/29/15/386992915.db2.gz BOYOQRDMVIFDCD-SSDOTTSWSA-N 1 2 225.252 -0.795 20 0 BBADLO COC(=O)[C@H]1CC[N@@H+](Cc2nnnn2C)C1 ZINC000332604464 386993827 /nfs/dbraw/zinc/99/38/27/386993827.db2.gz BOYOQRDMVIFDCD-ZETCQYMHSA-N 1 2 225.252 -0.795 20 0 BBADLO COC(=O)[C@H]1CC[N@H+](Cc2nnnn2C)C1 ZINC000332604464 386993822 /nfs/dbraw/zinc/99/38/22/386993822.db2.gz BOYOQRDMVIFDCD-ZETCQYMHSA-N 1 2 225.252 -0.795 20 0 BBADLO C[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@H]1CO ZINC000332614988 177168705 /nfs/dbraw/zinc/16/87/05/177168705.db2.gz DXZHVIQIGYBMRJ-BQBZGAKWSA-N 1 2 212.253 -0.287 20 0 BBADLO C[C@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)[C@H]1CO ZINC000332614988 177168704 /nfs/dbraw/zinc/16/87/04/177168704.db2.gz DXZHVIQIGYBMRJ-BQBZGAKWSA-N 1 2 212.253 -0.287 20 0 BBADLO C[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@@H]1CO ZINC000332614990 177168141 /nfs/dbraw/zinc/16/81/41/177168141.db2.gz DXZHVIQIGYBMRJ-NKWVEPMBSA-N 1 2 212.253 -0.287 20 0 BBADLO C[C@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)[C@@H]1CO ZINC000332614990 177168140 /nfs/dbraw/zinc/16/81/40/177168140.db2.gz DXZHVIQIGYBMRJ-NKWVEPMBSA-N 1 2 212.253 -0.287 20 0 BBADLO C[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@@H]1CO ZINC000332614992 176178003 /nfs/dbraw/zinc/17/80/03/176178003.db2.gz DXZHVIQIGYBMRJ-RNFRBKRXSA-N 1 2 212.253 -0.287 20 0 BBADLO C[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)[C@@H]1CO ZINC000332614992 176178002 /nfs/dbraw/zinc/17/80/02/176178002.db2.gz DXZHVIQIGYBMRJ-RNFRBKRXSA-N 1 2 212.253 -0.287 20 0 BBADLO C[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@H]1CO ZINC000332614995 176178008 /nfs/dbraw/zinc/17/80/08/176178008.db2.gz DXZHVIQIGYBMRJ-RQJHMYQMSA-N 1 2 212.253 -0.287 20 0 BBADLO C[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)[C@H]1CO ZINC000332614995 176178007 /nfs/dbraw/zinc/17/80/07/176178007.db2.gz DXZHVIQIGYBMRJ-RQJHMYQMSA-N 1 2 212.253 -0.287 20 0 BBADLO Cn1nnc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)n1 ZINC000332616056 386995962 /nfs/dbraw/zinc/99/59/62/386995962.db2.gz FDMSWJWCTOHTNG-SECBINFHSA-N 1 2 224.268 -0.043 20 0 BBADLO Cn1nnc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)n1 ZINC000332616056 386995955 /nfs/dbraw/zinc/99/59/55/386995955.db2.gz FDMSWJWCTOHTNG-SECBINFHSA-N 1 2 224.268 -0.043 20 0 BBADLO Cn1nnc(C[N@H+]2CC[C@](C)(C(N)=O)C2)n1 ZINC000332616064 386995737 /nfs/dbraw/zinc/99/57/37/386995737.db2.gz FDMSWJWCTOHTNG-VIFPVBQESA-N 1 2 224.268 -0.043 20 0 BBADLO Cn1nnc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)n1 ZINC000332616064 386995733 /nfs/dbraw/zinc/99/57/33/386995733.db2.gz FDMSWJWCTOHTNG-VIFPVBQESA-N 1 2 224.268 -0.043 20 0 BBADLO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2nnn(C)n2)C1 ZINC000332624357 173300600 /nfs/dbraw/zinc/30/06/00/173300600.db2.gz FQRLYSTUGNJQCI-JTQLQIEISA-N 1 2 238.295 -0.832 20 0 BBADLO CNC(=O)[C@@]1(C)CC[N@H+](Cc2nnn(C)n2)C1 ZINC000332624357 173300599 /nfs/dbraw/zinc/30/05/99/173300599.db2.gz FQRLYSTUGNJQCI-JTQLQIEISA-N 1 2 238.295 -0.832 20 0 BBADLO CNC(=O)[C@]1(C)CC[N@@H+](Cc2nnn(C)n2)C1 ZINC000332624360 173308533 /nfs/dbraw/zinc/30/85/33/173308533.db2.gz FQRLYSTUGNJQCI-SNVBAGLBSA-N 1 2 238.295 -0.832 20 0 BBADLO CNC(=O)[C@]1(C)CC[N@H+](Cc2nnn(C)n2)C1 ZINC000332624360 173308532 /nfs/dbraw/zinc/30/85/32/173308532.db2.gz FQRLYSTUGNJQCI-SNVBAGLBSA-N 1 2 238.295 -0.832 20 0 BBADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccon1 ZINC000332637344 386995452 /nfs/dbraw/zinc/99/54/52/386995452.db2.gz JPDFDAOUMPWACV-SECBINFHSA-N 1 2 245.304 -0.073 20 0 BBADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccon1 ZINC000332637344 386995449 /nfs/dbraw/zinc/99/54/49/386995449.db2.gz JPDFDAOUMPWACV-SECBINFHSA-N 1 2 245.304 -0.073 20 0 BBADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccon1 ZINC000332637345 386995346 /nfs/dbraw/zinc/99/53/46/386995346.db2.gz JPDFDAOUMPWACV-VIFPVBQESA-N 1 2 245.304 -0.073 20 0 BBADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccon1 ZINC000332637345 386995342 /nfs/dbraw/zinc/99/53/42/386995342.db2.gz JPDFDAOUMPWACV-VIFPVBQESA-N 1 2 245.304 -0.073 20 0 BBADLO CC(C)n1cc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)nn1 ZINC000332638838 386996093 /nfs/dbraw/zinc/99/60/93/386996093.db2.gz IPSOOPGLECTICQ-AOOOYVTPSA-N 1 2 226.280 -0.604 20 0 BBADLO CC(C)n1cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)nn1 ZINC000332638838 386996088 /nfs/dbraw/zinc/99/60/88/386996088.db2.gz IPSOOPGLECTICQ-AOOOYVTPSA-N 1 2 226.280 -0.604 20 0 BBADLO CC(C)n1cc(C[NH+]2C[C@@H](O)[C@H](O)C2)nn1 ZINC000332638839 386995693 /nfs/dbraw/zinc/99/56/93/386995693.db2.gz IPSOOPGLECTICQ-NXEZZACHSA-N 1 2 226.280 -0.604 20 0 BBADLO CC(C)n1cc(C[NH+]2C[C@H](O)[C@@H](O)C2)nn1 ZINC000332638840 386994731 /nfs/dbraw/zinc/99/47/31/386994731.db2.gz IPSOOPGLECTICQ-UWVGGRQHSA-N 1 2 226.280 -0.604 20 0 BBADLO COC[C@@H]1CC[N@@H+](Cc2nnn(C)n2)C1 ZINC000332642232 386996901 /nfs/dbraw/zinc/99/69/01/386996901.db2.gz BBCIOWWFYJDJIK-MRVPVSSYSA-N 1 2 211.269 -0.322 20 0 BBADLO COC[C@@H]1CC[N@H+](Cc2nnn(C)n2)C1 ZINC000332642232 386996898 /nfs/dbraw/zinc/99/68/98/386996898.db2.gz BBCIOWWFYJDJIK-MRVPVSSYSA-N 1 2 211.269 -0.322 20 0 BBADLO COC[C@H]1CC[N@@H+](Cc2nnn(C)n2)C1 ZINC000332642235 386994675 /nfs/dbraw/zinc/99/46/75/386994675.db2.gz BBCIOWWFYJDJIK-QMMMGPOBSA-N 1 2 211.269 -0.322 20 0 BBADLO COC[C@H]1CC[N@H+](Cc2nnn(C)n2)C1 ZINC000332642235 386994673 /nfs/dbraw/zinc/99/46/73/386994673.db2.gz BBCIOWWFYJDJIK-QMMMGPOBSA-N 1 2 211.269 -0.322 20 0 BBADLO COCCO[C@@H]1CC[N@@H+](Cc2nnnn2C)C1 ZINC000332645576 174365934 /nfs/dbraw/zinc/36/59/34/174365934.db2.gz LFGVEKPCIDTYAX-SECBINFHSA-N 1 2 241.295 -0.553 20 0 BBADLO COCCO[C@@H]1CC[N@H+](Cc2nnnn2C)C1 ZINC000332645576 174365933 /nfs/dbraw/zinc/36/59/33/174365933.db2.gz LFGVEKPCIDTYAX-SECBINFHSA-N 1 2 241.295 -0.553 20 0 BBADLO COCCO[C@H]1CC[N@@H+](Cc2nnnn2C)C1 ZINC000332645602 174367177 /nfs/dbraw/zinc/36/71/77/174367177.db2.gz LFGVEKPCIDTYAX-VIFPVBQESA-N 1 2 241.295 -0.553 20 0 BBADLO COCCO[C@H]1CC[N@H+](Cc2nnnn2C)C1 ZINC000332645602 174367175 /nfs/dbraw/zinc/36/71/75/174367175.db2.gz LFGVEKPCIDTYAX-VIFPVBQESA-N 1 2 241.295 -0.553 20 0 BBADLO CS(=O)(=O)N[C@@H]1CCN(Cc2[nH]cc[nH+]2)C1 ZINC000332649384 386998733 /nfs/dbraw/zinc/99/87/33/386998733.db2.gz LAOVNYTVHGVPHB-MRVPVSSYSA-N 1 2 244.320 -0.467 20 0 BBADLO CS(=O)(=O)N[C@H]1CCN(Cc2[nH]cc[nH+]2)C1 ZINC000332649385 386997912 /nfs/dbraw/zinc/99/79/12/386997912.db2.gz LAOVNYTVHGVPHB-QMMMGPOBSA-N 1 2 244.320 -0.467 20 0 BBADLO CC[C@@]1(O)CC[N@@H+](Cc2nnnn2C)C1 ZINC000332650751 171214027 /nfs/dbraw/zinc/21/40/27/171214027.db2.gz CQKBQKLULBSMOX-SECBINFHSA-N 1 2 211.269 -0.443 20 0 BBADLO CC[C@@]1(O)CC[N@H+](Cc2nnnn2C)C1 ZINC000332650751 171214025 /nfs/dbraw/zinc/21/40/25/171214025.db2.gz CQKBQKLULBSMOX-SECBINFHSA-N 1 2 211.269 -0.443 20 0 BBADLO CC[C@]1(O)CC[N@@H+](Cc2nnnn2C)C1 ZINC000332650752 384093206 /nfs/dbraw/zinc/09/32/06/384093206.db2.gz CQKBQKLULBSMOX-VIFPVBQESA-N 1 2 211.269 -0.443 20 0 BBADLO CC[C@]1(O)CC[N@H+](Cc2nnnn2C)C1 ZINC000332650752 384093189 /nfs/dbraw/zinc/09/31/89/384093189.db2.gz CQKBQKLULBSMOX-VIFPVBQESA-N 1 2 211.269 -0.443 20 0 BBADLO CCc1nnc(C[N@H+]2C[C@@H](O)C[C@H]2CO)[nH]1 ZINC000332654195 356225517 /nfs/dbraw/zinc/22/55/17/356225517.db2.gz MZGIKWXJFVKQRZ-YUMQZZPRSA-N 1 2 226.280 -0.705 20 0 BBADLO CCc1nnc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)[nH]1 ZINC000332654195 356225514 /nfs/dbraw/zinc/22/55/14/356225514.db2.gz MZGIKWXJFVKQRZ-YUMQZZPRSA-N 1 2 226.280 -0.705 20 0 BBADLO COC[C@@H]1C[C@@H](OC)C[N@H+]1Cc1nnnn1C ZINC000332657105 386999429 /nfs/dbraw/zinc/99/94/29/386999429.db2.gz AEUWBDFNLBPPRZ-DTWKUNHWSA-N 1 2 241.295 -0.554 20 0 BBADLO COC[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1nnnn1C ZINC000332657105 386999428 /nfs/dbraw/zinc/99/94/28/386999428.db2.gz AEUWBDFNLBPPRZ-DTWKUNHWSA-N 1 2 241.295 -0.554 20 0 BBADLO CC[C@@]1(O)CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000332657847 171213980 /nfs/dbraw/zinc/21/39/80/171213980.db2.gz FKIHGONVEOBCJL-SECBINFHSA-N 1 2 212.253 -0.143 20 0 BBADLO CC[C@@]1(O)CC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000332657847 171213979 /nfs/dbraw/zinc/21/39/79/171213979.db2.gz FKIHGONVEOBCJL-SECBINFHSA-N 1 2 212.253 -0.143 20 0 BBADLO CC[C@]1(O)CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000332657850 386997669 /nfs/dbraw/zinc/99/76/69/386997669.db2.gz FKIHGONVEOBCJL-VIFPVBQESA-N 1 2 212.253 -0.143 20 0 BBADLO CC[C@]1(O)CC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000332657850 386997663 /nfs/dbraw/zinc/99/76/63/386997663.db2.gz FKIHGONVEOBCJL-VIFPVBQESA-N 1 2 212.253 -0.143 20 0 BBADLO CCn1ccnc1C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000332658032 172222326 /nfs/dbraw/zinc/22/23/26/172222326.db2.gz NXCKOHKFCQIWCJ-UWVGGRQHSA-N 1 2 225.292 -0.170 20 0 BBADLO CCn1ccnc1C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000332658032 172222323 /nfs/dbraw/zinc/22/23/23/172222323.db2.gz NXCKOHKFCQIWCJ-UWVGGRQHSA-N 1 2 225.292 -0.170 20 0 BBADLO CC(C)(C)n1cc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)nn1 ZINC000332658601 386997981 /nfs/dbraw/zinc/99/79/81/386997981.db2.gz NZFLNJZPIZWZAJ-AOOOYVTPSA-N 1 2 240.307 -0.430 20 0 BBADLO CC(C)(C)n1cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)nn1 ZINC000332658601 386997976 /nfs/dbraw/zinc/99/79/76/386997976.db2.gz NZFLNJZPIZWZAJ-AOOOYVTPSA-N 1 2 240.307 -0.430 20 0 BBADLO CC(C)(C)n1cc(C[NH+]2C[C@@H](O)[C@H](O)C2)nn1 ZINC000332658603 188227432 /nfs/dbraw/zinc/22/74/32/188227432.db2.gz NZFLNJZPIZWZAJ-NXEZZACHSA-N 1 2 240.307 -0.430 20 0 BBADLO CC(C)(C)n1cc(C[NH+]2C[C@H](O)[C@@H](O)C2)nn1 ZINC000332658605 386999587 /nfs/dbraw/zinc/99/95/87/386999587.db2.gz NZFLNJZPIZWZAJ-UWVGGRQHSA-N 1 2 240.307 -0.430 20 0 BBADLO C[C@@H]1NC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000332658967 384100706 /nfs/dbraw/zinc/10/07/06/384100706.db2.gz FNYVVEDDPYLWIB-LURJTMIESA-N 1 2 208.221 -0.140 20 0 BBADLO C[C@H]1NC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000332658995 177393856 /nfs/dbraw/zinc/39/38/56/177393856.db2.gz FNYVVEDDPYLWIB-ZCFIWIBFSA-N 1 2 208.221 -0.140 20 0 BBADLO COCc1nc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cs1 ZINC000332659136 386998648 /nfs/dbraw/zinc/99/86/48/386998648.db2.gz FQAZIWIGNGPNHS-DTORHVGOSA-N 1 2 244.316 -0.173 20 0 BBADLO COCc1nc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)cs1 ZINC000332659136 386998644 /nfs/dbraw/zinc/99/86/44/386998644.db2.gz FQAZIWIGNGPNHS-DTORHVGOSA-N 1 2 244.316 -0.173 20 0 BBADLO COCc1nc(C[NH+]2C[C@H](O)[C@@H](O)C2)cs1 ZINC000332659137 386997704 /nfs/dbraw/zinc/99/77/04/386997704.db2.gz FQAZIWIGNGPNHS-IUCAKERBSA-N 1 2 244.316 -0.173 20 0 BBADLO COCc1nc(C[NH+]2C[C@@H](O)[C@H](O)C2)cs1 ZINC000332659138 386998312 /nfs/dbraw/zinc/99/83/12/386998312.db2.gz FQAZIWIGNGPNHS-RKDXNWHRSA-N 1 2 244.316 -0.173 20 0 BBADLO Cn1nnnc1C[N@H+]1CC[C@@H](O)C1(C)C ZINC000332659909 386999344 /nfs/dbraw/zinc/99/93/44/386999344.db2.gz BAQJWISDHCLNNR-SSDOTTSWSA-N 1 2 211.269 -0.445 20 0 BBADLO Cn1nnnc1C[N@@H+]1CC[C@@H](O)C1(C)C ZINC000332659909 386999339 /nfs/dbraw/zinc/99/93/39/386999339.db2.gz BAQJWISDHCLNNR-SSDOTTSWSA-N 1 2 211.269 -0.445 20 0 BBADLO Cn1nnnc1C[N@H+]1CC[C@H](O)C1(C)C ZINC000332659911 386999387 /nfs/dbraw/zinc/99/93/87/386999387.db2.gz BAQJWISDHCLNNR-ZETCQYMHSA-N 1 2 211.269 -0.445 20 0 BBADLO Cn1nnnc1C[N@@H+]1CC[C@H](O)C1(C)C ZINC000332659911 386999384 /nfs/dbraw/zinc/99/93/84/386999384.db2.gz BAQJWISDHCLNNR-ZETCQYMHSA-N 1 2 211.269 -0.445 20 0 BBADLO Cc1cn[nH]c1C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000332662468 386997866 /nfs/dbraw/zinc/99/78/66/386997866.db2.gz BUJBERCUOQSYDJ-MRVPVSSYSA-N 1 2 223.280 -0.039 20 0 BBADLO Cc1cn[nH]c1C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000332662468 386997863 /nfs/dbraw/zinc/99/78/63/386997863.db2.gz BUJBERCUOQSYDJ-MRVPVSSYSA-N 1 2 223.280 -0.039 20 0 BBADLO Cc1c[nH]nc1C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000332662468 386997860 /nfs/dbraw/zinc/99/78/60/386997860.db2.gz BUJBERCUOQSYDJ-MRVPVSSYSA-N 1 2 223.280 -0.039 20 0 BBADLO Cc1c[nH]nc1C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000332662468 386997856 /nfs/dbraw/zinc/99/78/56/386997856.db2.gz BUJBERCUOQSYDJ-MRVPVSSYSA-N 1 2 223.280 -0.039 20 0 BBADLO Cc1cn[nH]c1C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000332662469 386999033 /nfs/dbraw/zinc/99/90/33/386999033.db2.gz BUJBERCUOQSYDJ-QMMMGPOBSA-N 1 2 223.280 -0.039 20 0 BBADLO Cc1cn[nH]c1C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000332662469 386999028 /nfs/dbraw/zinc/99/90/28/386999028.db2.gz BUJBERCUOQSYDJ-QMMMGPOBSA-N 1 2 223.280 -0.039 20 0 BBADLO Cc1c[nH]nc1C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000332662469 386999024 /nfs/dbraw/zinc/99/90/24/386999024.db2.gz BUJBERCUOQSYDJ-QMMMGPOBSA-N 1 2 223.280 -0.039 20 0 BBADLO Cc1c[nH]nc1C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000332662469 386999022 /nfs/dbraw/zinc/99/90/22/386999022.db2.gz BUJBERCUOQSYDJ-QMMMGPOBSA-N 1 2 223.280 -0.039 20 0 BBADLO NC(=O)NC(=O)C[N@H+]1CCc2ccc(O)cc2C1 ZINC000332667678 181254804 /nfs/dbraw/zinc/25/48/04/181254804.db2.gz DKYUZZYYGAVIIH-UHFFFAOYSA-N 1 2 249.270 -0.055 20 0 BBADLO NC(=O)NC(=O)C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000332667678 181254803 /nfs/dbraw/zinc/25/48/03/181254803.db2.gz DKYUZZYYGAVIIH-UHFFFAOYSA-N 1 2 249.270 -0.055 20 0 BBADLO CCNC(=O)C[N@H+]1CCc2cncnc2C1 ZINC000332674670 170061710 /nfs/dbraw/zinc/06/17/10/170061710.db2.gz JWJZXRHFIBOLKP-UHFFFAOYSA-N 1 2 220.276 -0.029 20 0 BBADLO CCNC(=O)C[N@@H+]1CCc2cncnc2C1 ZINC000332674670 170061709 /nfs/dbraw/zinc/06/17/09/170061709.db2.gz JWJZXRHFIBOLKP-UHFFFAOYSA-N 1 2 220.276 -0.029 20 0 BBADLO C[NH+](C)CC(=O)N1CC(=O)Nc2cnccc21 ZINC000332675566 132244972 /nfs/dbraw/zinc/24/49/72/132244972.db2.gz CWJJXQWTBYVWDJ-UHFFFAOYSA-N 1 2 234.259 -0.072 20 0 BBADLO C[C@@H](O)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332679686 384112610 /nfs/dbraw/zinc/11/26/10/384112610.db2.gz HMZFQNDQZNRDHT-BBBLOLIVSA-N 1 2 228.292 -0.701 20 0 BBADLO C[C@@H](O)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332679686 384112607 /nfs/dbraw/zinc/11/26/07/384112607.db2.gz HMZFQNDQZNRDHT-BBBLOLIVSA-N 1 2 228.292 -0.701 20 0 BBADLO C[C@@H](O)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332679691 384112721 /nfs/dbraw/zinc/11/27/21/384112721.db2.gz HMZFQNDQZNRDHT-KXUCPTDWSA-N 1 2 228.292 -0.701 20 0 BBADLO C[C@@H](O)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332679691 384112717 /nfs/dbraw/zinc/11/27/17/384112717.db2.gz HMZFQNDQZNRDHT-KXUCPTDWSA-N 1 2 228.292 -0.701 20 0 BBADLO C[C@@H](O)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332679702 384112064 /nfs/dbraw/zinc/11/20/64/384112064.db2.gz HMZFQNDQZNRDHT-OPRDCNLKSA-N 1 2 228.292 -0.701 20 0 BBADLO C[C@@H](O)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332679702 384112057 /nfs/dbraw/zinc/11/20/57/384112057.db2.gz HMZFQNDQZNRDHT-OPRDCNLKSA-N 1 2 228.292 -0.701 20 0 BBADLO C[C@@H](O)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332679721 384112761 /nfs/dbraw/zinc/11/27/61/384112761.db2.gz HMZFQNDQZNRDHT-UTLUCORTSA-N 1 2 228.292 -0.701 20 0 BBADLO C[C@@H](O)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332679721 384112754 /nfs/dbraw/zinc/11/27/54/384112754.db2.gz HMZFQNDQZNRDHT-UTLUCORTSA-N 1 2 228.292 -0.701 20 0 BBADLO CC1(C)[C@@H](O)CC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332679774 168000118 /nfs/dbraw/zinc/00/01/18/168000118.db2.gz HOQMTWRWJFTUTR-LURJTMIESA-N 1 2 212.253 -0.145 20 0 BBADLO CC1(C)[C@@H](O)CC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332679774 168000116 /nfs/dbraw/zinc/00/01/16/168000116.db2.gz HOQMTWRWJFTUTR-LURJTMIESA-N 1 2 212.253 -0.145 20 0 BBADLO CC1(C)[C@H](O)CC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332679775 168007146 /nfs/dbraw/zinc/00/71/46/168007146.db2.gz HOQMTWRWJFTUTR-ZCFIWIBFSA-N 1 2 212.253 -0.145 20 0 BBADLO CC1(C)[C@H](O)CC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332679775 168007144 /nfs/dbraw/zinc/00/71/44/168007144.db2.gz HOQMTWRWJFTUTR-ZCFIWIBFSA-N 1 2 212.253 -0.145 20 0 BBADLO CO[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@@H]1OC ZINC000332680586 384111077 /nfs/dbraw/zinc/11/10/77/384111077.db2.gz SRFAUHQDMSPKCN-AOOOYVTPSA-N 1 2 226.280 -0.339 20 0 BBADLO CO[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@@H]1OC ZINC000332680586 384111072 /nfs/dbraw/zinc/11/10/72/384111072.db2.gz SRFAUHQDMSPKCN-AOOOYVTPSA-N 1 2 226.280 -0.339 20 0 BBADLO CO[C@@H]1C[NH+](Cc2cn(C)nn2)C[C@H]1OC ZINC000332680587 384112930 /nfs/dbraw/zinc/11/29/30/384112930.db2.gz SRFAUHQDMSPKCN-NXEZZACHSA-N 1 2 226.280 -0.339 20 0 BBADLO CO[C@H]1C[NH+](Cc2cn(C)nn2)C[C@@H]1OC ZINC000332680588 384111050 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ZINC000332720312 173300556 /nfs/dbraw/zinc/30/05/56/173300556.db2.gz QZCIWQUSFNRFMO-JTQLQIEISA-N 1 2 239.279 -0.532 20 0 BBADLO CNC(=O)[C@]1(C)CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000332720314 173308693 /nfs/dbraw/zinc/30/86/93/173308693.db2.gz QZCIWQUSFNRFMO-SNVBAGLBSA-N 1 2 239.279 -0.532 20 0 BBADLO CNC(=O)[C@]1(C)CC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000332720314 173308692 /nfs/dbraw/zinc/30/86/92/173308692.db2.gz QZCIWQUSFNRFMO-SNVBAGLBSA-N 1 2 239.279 -0.532 20 0 BBADLO Cn1cc(C[NH+]2C[C@@H](O)[C@H](O)C2)c(C(F)F)n1 ZINC000332725387 387006683 /nfs/dbraw/zinc/00/66/83/387006683.db2.gz SGHLCRQKXQRXFH-HTQZYQBOSA-N 1 2 247.245 -0.105 20 0 BBADLO Cn1cc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c(C(F)F)n1 ZINC000332725393 384142322 /nfs/dbraw/zinc/14/23/22/384142322.db2.gz SGHLCRQKXQRXFH-OCAPTIKFSA-N 1 2 247.245 -0.105 20 0 BBADLO Cn1cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c(C(F)F)n1 ZINC000332725393 384142321 /nfs/dbraw/zinc/14/23/21/384142321.db2.gz SGHLCRQKXQRXFH-OCAPTIKFSA-N 1 2 247.245 -0.105 20 0 BBADLO 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Cc1cn[nH]c1C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000332729507 387006789 /nfs/dbraw/zinc/00/67/89/387006789.db2.gz TZIWVSUYXGUZJN-BDAKNGLRSA-N 1 2 211.265 -0.354 20 0 BBADLO Cc1cn[nH]c1C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000332729508 387006472 /nfs/dbraw/zinc/00/64/72/387006472.db2.gz TZIWVSUYXGUZJN-DTWKUNHWSA-N 1 2 211.265 -0.354 20 0 BBADLO Cc1cn[nH]c1C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000332729508 387006470 /nfs/dbraw/zinc/00/64/70/387006470.db2.gz TZIWVSUYXGUZJN-DTWKUNHWSA-N 1 2 211.265 -0.354 20 0 BBADLO Cc1cn[nH]c1C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000332729509 387006496 /nfs/dbraw/zinc/00/64/96/387006496.db2.gz TZIWVSUYXGUZJN-IUCAKERBSA-N 1 2 211.265 -0.354 20 0 BBADLO Cc1cn[nH]c1C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000332729509 387006495 /nfs/dbraw/zinc/00/64/95/387006495.db2.gz TZIWVSUYXGUZJN-IUCAKERBSA-N 1 2 211.265 -0.354 20 0 BBADLO Cc1cn[nH]c1C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000332729510 387005864 /nfs/dbraw/zinc/00/58/64/387005864.db2.gz TZIWVSUYXGUZJN-RKDXNWHRSA-N 1 2 211.265 -0.354 20 0 BBADLO Cc1cn[nH]c1C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000332729510 387005860 /nfs/dbraw/zinc/00/58/60/387005860.db2.gz TZIWVSUYXGUZJN-RKDXNWHRSA-N 1 2 211.265 -0.354 20 0 BBADLO C[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1[NH+](C)C ZINC000332739842 176311722 /nfs/dbraw/zinc/31/17/22/176311722.db2.gz YNDGPRORUPWUGK-HTQZYQBOSA-N 1 2 225.296 -0.108 20 0 BBADLO C[C@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1[NH+](C)C ZINC000332739846 177270997 /nfs/dbraw/zinc/27/09/97/177270997.db2.gz YNDGPRORUPWUGK-JGVFFNPUSA-N 1 2 225.296 -0.108 20 0 BBADLO C[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1[NH+](C)C ZINC000332739848 176311579 /nfs/dbraw/zinc/31/15/79/176311579.db2.gz YNDGPRORUPWUGK-SFYZADRCSA-N 1 2 225.296 -0.108 20 0 BBADLO C[C@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1[NH+](C)C ZINC000332739851 177270319 /nfs/dbraw/zinc/27/03/19/177270319.db2.gz YNDGPRORUPWUGK-YUMQZZPRSA-N 1 2 225.296 -0.108 20 0 BBADLO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC000332779216 541397577 /nfs/dbraw/zinc/39/75/77/541397577.db2.gz 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1 2 242.319 -0.140 20 0 BBADLO C[N@H+]1CCO[C@@H](CNC(=O)[C@@]2(C)CCOC2)C1 ZINC000332908396 346485483 /nfs/dbraw/zinc/48/54/83/346485483.db2.gz ZEDCHFJKEBPOIP-JQWIXIFHSA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNC(=O)[C@@]2(C)CCOC2)C1 ZINC000332908396 346485481 /nfs/dbraw/zinc/48/54/81/346485481.db2.gz ZEDCHFJKEBPOIP-JQWIXIFHSA-N 1 2 242.319 -0.140 20 0 BBADLO CO[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000332930054 387574629 /nfs/dbraw/zinc/57/46/29/387574629.db2.gz BTHQZHOFUFGYJK-GHMZBOCLSA-N 1 2 242.319 -0.142 20 0 BBADLO CO[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000332930054 387574626 /nfs/dbraw/zinc/57/46/26/387574626.db2.gz BTHQZHOFUFGYJK-GHMZBOCLSA-N 1 2 242.319 -0.142 20 0 BBADLO CO[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000332930055 387576116 /nfs/dbraw/zinc/57/61/16/387576116.db2.gz BTHQZHOFUFGYJK-WDEREUQCSA-N 1 2 242.319 -0.142 20 0 BBADLO CO[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000332930055 387576112 /nfs/dbraw/zinc/57/61/12/387576112.db2.gz BTHQZHOFUFGYJK-WDEREUQCSA-N 1 2 242.319 -0.142 20 0 BBADLO C[C@@H]1C[C@@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CO1 ZINC000332948406 359525353 /nfs/dbraw/zinc/52/53/53/359525353.db2.gz YMMGMUJFRVYCIY-GMTAPVOTSA-N 1 2 242.319 -0.142 20 0 BBADLO C[C@@H]1C[C@@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)CO1 ZINC000332948406 359525352 /nfs/dbraw/zinc/52/53/52/359525352.db2.gz YMMGMUJFRVYCIY-GMTAPVOTSA-N 1 2 242.319 -0.142 20 0 BBADLO C[C@@H]1C[C@@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)CO1 ZINC000332948407 359525360 /nfs/dbraw/zinc/52/53/60/359525360.db2.gz YMMGMUJFRVYCIY-MXWKQRLJSA-N 1 2 242.319 -0.142 20 0 BBADLO C[C@@H]1C[C@@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)CO1 ZINC000332948407 359525359 /nfs/dbraw/zinc/52/53/59/359525359.db2.gz YMMGMUJFRVYCIY-MXWKQRLJSA-N 1 2 242.319 -0.142 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCC2=O)C1 ZINC000332949351 359525367 /nfs/dbraw/zinc/52/53/67/359525367.db2.gz SNAMNKBCIPTFRJ-GXSJLCMTSA-N 1 2 240.303 -0.198 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCC2=O)C1 ZINC000332949351 359525366 /nfs/dbraw/zinc/52/53/66/359525366.db2.gz SNAMNKBCIPTFRJ-GXSJLCMTSA-N 1 2 240.303 -0.198 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCC2=O)C1 ZINC000332949352 359525335 /nfs/dbraw/zinc/52/53/35/359525335.db2.gz SNAMNKBCIPTFRJ-MWLCHTKSSA-N 1 2 240.303 -0.198 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCC2=O)C1 ZINC000332949352 359525333 /nfs/dbraw/zinc/52/53/33/359525333.db2.gz SNAMNKBCIPTFRJ-MWLCHTKSSA-N 1 2 240.303 -0.198 20 0 BBADLO CC[N@H+]1CC[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC000333057448 170011639 /nfs/dbraw/zinc/01/16/39/170011639.db2.gz APNINMASAHUAJD-SSDOTTSWSA-N 1 2 209.253 -0.371 20 0 BBADLO CC[N@H+]1CC[C@H](NC(=O)c2nc[nH]n2)C1 ZINC000333057450 170020866 /nfs/dbraw/zinc/02/08/66/170020866.db2.gz APNINMASAHUAJD-ZETCQYMHSA-N 1 2 209.253 -0.371 20 0 BBADLO CC[N@@H+]1CC[C@H](NC(=O)c2nc[nH]n2)C1 ZINC000333057450 170020865 /nfs/dbraw/zinc/02/08/65/170020865.db2.gz APNINMASAHUAJD-ZETCQYMHSA-N 1 2 209.253 -0.371 20 0 BBADLO Cn1ncc2c1nc(N1CC(CO)C1)[nH+]c2N ZINC000333065822 387017030 /nfs/dbraw/zinc/01/70/30/387017030.db2.gz NXVYMHXTFNFFIK-UHFFFAOYSA-N 1 2 234.263 -0.626 20 0 BBADLO C[N@H+]1CCC[C@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000333067190 173051329 /nfs/dbraw/zinc/05/13/29/173051329.db2.gz JNWCDAQXVRCCGG-LURJTMIESA-N 1 2 225.252 -0.779 20 0 BBADLO C[N@@H+]1CCC[C@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000333067190 173051326 /nfs/dbraw/zinc/05/13/26/173051326.db2.gz JNWCDAQXVRCCGG-LURJTMIESA-N 1 2 225.252 -0.779 20 0 BBADLO C[N@H+]1CCC[C@@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000333067196 173024883 /nfs/dbraw/zinc/02/48/83/173024883.db2.gz JNWCDAQXVRCCGG-ZCFIWIBFSA-N 1 2 225.252 -0.779 20 0 BBADLO C[N@@H+]1CCC[C@@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000333067196 173024880 /nfs/dbraw/zinc/02/48/80/173024880.db2.gz JNWCDAQXVRCCGG-ZCFIWIBFSA-N 1 2 225.252 -0.779 20 0 BBADLO C[C@@H]1OCC[C@H]1Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000333116745 537978728 /nfs/dbraw/zinc/97/87/28/537978728.db2.gz YYDDVXHWVSVGFL-POYBYMJQSA-N 1 2 248.290 0.535 20 0 BBADLO C[C@H]1OCC[C@@H]1Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000333116747 537978982 /nfs/dbraw/zinc/97/89/82/537978982.db2.gz YYDDVXHWVSVGFL-SVRRBLITSA-N 1 2 248.290 0.535 20 0 BBADLO C[C@@H]1OCC[C@@H]1Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000333116750 537978858 /nfs/dbraw/zinc/97/88/58/537978858.db2.gz YYDDVXHWVSVGFL-XPUUQOCRSA-N 1 2 248.290 0.535 20 0 BBADLO Cn1ncc2c1nc(NCC1(O)CCC1)[nH+]c2N ZINC000333265381 412193663 /nfs/dbraw/zinc/19/36/63/412193663.db2.gz GGTNCICNDJVSNV-UHFFFAOYSA-N 1 2 248.290 0.272 20 0 BBADLO CC[N@@H+](CC(=O)N1CCCC1)[C@H]1CCNC1=O ZINC000333284651 387024222 /nfs/dbraw/zinc/02/42/22/387024222.db2.gz JROZHHAPXIBFBL-JTQLQIEISA-N 1 2 239.319 -0.181 20 0 BBADLO CC[N@H+](CC(=O)N1CCCC1)[C@H]1CCNC1=O ZINC000333284651 387024216 /nfs/dbraw/zinc/02/42/16/387024216.db2.gz JROZHHAPXIBFBL-JTQLQIEISA-N 1 2 239.319 -0.181 20 0 BBADLO CC[N@@H+](CC(=O)N1CCCC1)[C@@H]1CCNC1=O ZINC000333284653 387025321 /nfs/dbraw/zinc/02/53/21/387025321.db2.gz JROZHHAPXIBFBL-SNVBAGLBSA-N 1 2 239.319 -0.181 20 0 BBADLO CC[N@H+](CC(=O)N1CCCC1)[C@@H]1CCNC1=O ZINC000333284653 387025317 /nfs/dbraw/zinc/02/53/17/387025317.db2.gz JROZHHAPXIBFBL-SNVBAGLBSA-N 1 2 239.319 -0.181 20 0 BBADLO Cn1nnc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)n1 ZINC000333288714 388104868 /nfs/dbraw/zinc/10/48/68/388104868.db2.gz OAYKPGWUKVZUEO-AEJSXWLSSA-N 1 2 237.307 -0.197 20 0 BBADLO Cn1nnc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)n1 ZINC000333288714 388104865 /nfs/dbraw/zinc/10/48/65/388104865.db2.gz OAYKPGWUKVZUEO-AEJSXWLSSA-N 1 2 237.307 -0.197 20 0 BBADLO Cn1nnc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)n1 ZINC000333288715 388104932 /nfs/dbraw/zinc/10/49/32/388104932.db2.gz OAYKPGWUKVZUEO-GUBZILKMSA-N 1 2 237.307 -0.197 20 0 BBADLO Cn1nnc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)n1 ZINC000333288715 388104930 /nfs/dbraw/zinc/10/49/30/388104930.db2.gz OAYKPGWUKVZUEO-GUBZILKMSA-N 1 2 237.307 -0.197 20 0 BBADLO Cn1nnc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)n1 ZINC000333288716 388104637 /nfs/dbraw/zinc/10/46/37/388104637.db2.gz OAYKPGWUKVZUEO-IVZWLZJFSA-N 1 2 237.307 -0.197 20 0 BBADLO Cn1nnc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)n1 ZINC000333288716 388104633 /nfs/dbraw/zinc/10/46/33/388104633.db2.gz OAYKPGWUKVZUEO-IVZWLZJFSA-N 1 2 237.307 -0.197 20 0 BBADLO Cn1nnc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)n1 ZINC000333288717 388104268 /nfs/dbraw/zinc/10/42/68/388104268.db2.gz OAYKPGWUKVZUEO-LPEHRKFASA-N 1 2 237.307 -0.197 20 0 BBADLO Cn1nnc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)n1 ZINC000333288717 388104265 /nfs/dbraw/zinc/10/42/65/388104265.db2.gz OAYKPGWUKVZUEO-LPEHRKFASA-N 1 2 237.307 -0.197 20 0 BBADLO Cn1nnc(C[N@@H+](C)CC2(O)CCC2)n1 ZINC000333301078 384262658 /nfs/dbraw/zinc/26/26/58/384262658.db2.gz MKQXSFIIVYMVIG-UHFFFAOYSA-N 1 2 211.269 -0.443 20 0 BBADLO Cn1nnc(C[N@H+](C)CC2(O)CCC2)n1 ZINC000333301078 384262654 /nfs/dbraw/zinc/26/26/54/384262654.db2.gz MKQXSFIIVYMVIG-UHFFFAOYSA-N 1 2 211.269 -0.443 20 0 BBADLO CC[N@@H+](CC(=O)N1CCC1)[C@@H]1CCNC1=O ZINC000333320862 387027462 /nfs/dbraw/zinc/02/74/62/387027462.db2.gz PTFKKSADLBSMPM-SECBINFHSA-N 1 2 225.292 -0.571 20 0 BBADLO CC[N@H+](CC(=O)N1CCC1)[C@@H]1CCNC1=O ZINC000333320862 387027458 /nfs/dbraw/zinc/02/74/58/387027458.db2.gz PTFKKSADLBSMPM-SECBINFHSA-N 1 2 225.292 -0.571 20 0 BBADLO CC[N@@H+](CC(=O)N1CCC1)[C@H]1CCNC1=O ZINC000333320870 387026506 /nfs/dbraw/zinc/02/65/06/387026506.db2.gz PTFKKSADLBSMPM-VIFPVBQESA-N 1 2 225.292 -0.571 20 0 BBADLO CC[N@H+](CC(=O)N1CCC1)[C@H]1CCNC1=O ZINC000333320870 387026504 /nfs/dbraw/zinc/02/65/04/387026504.db2.gz PTFKKSADLBSMPM-VIFPVBQESA-N 1 2 225.292 -0.571 20 0 BBADLO O=S(=O)(NCC[NH+]1CCC1)N1CCCC1 ZINC000333342500 387029077 /nfs/dbraw/zinc/02/90/77/387029077.db2.gz PIECDPHLZVTYMA-UHFFFAOYSA-N 1 2 233.337 -0.378 20 0 BBADLO COC[C@@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCCO1 ZINC000333346306 387030187 /nfs/dbraw/zinc/03/01/87/387030187.db2.gz UTPZCTSZLJUZOH-BDAKNGLRSA-N 1 2 241.295 -0.506 20 0 BBADLO COC[C@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCCO1 ZINC000333346308 387029996 /nfs/dbraw/zinc/02/99/96/387029996.db2.gz UTPZCTSZLJUZOH-DTWKUNHWSA-N 1 2 241.295 -0.506 20 0 BBADLO COC[C@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCCO1 ZINC000333346311 387030531 /nfs/dbraw/zinc/03/05/31/387030531.db2.gz UTPZCTSZLJUZOH-IUCAKERBSA-N 1 2 241.295 -0.506 20 0 BBADLO COC[C@@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCCO1 ZINC000333346313 387030371 /nfs/dbraw/zinc/03/03/71/387030371.db2.gz UTPZCTSZLJUZOH-RKDXNWHRSA-N 1 2 241.295 -0.506 20 0 BBADLO Cn1ncc2c1nc(N[C@H]1C[C@@](C)(O)C1)[nH+]c2N ZINC000333615216 412195347 /nfs/dbraw/zinc/19/53/47/412195347.db2.gz YPQSPIKYASZYDF-MHWOZMEASA-N 1 2 248.290 0.271 20 0 BBADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C1CC(=O)C1 ZINC000333710021 176293284 /nfs/dbraw/zinc/29/32/84/176293284.db2.gz GEMPYFUTWHOMBE-SECBINFHSA-N 1 2 240.303 -0.510 20 0 BBADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)C1CC(=O)C1 ZINC000333710021 176293283 /nfs/dbraw/zinc/29/32/83/176293283.db2.gz GEMPYFUTWHOMBE-SECBINFHSA-N 1 2 240.303 -0.510 20 0 BBADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)C1CC(=O)C1 ZINC000333710022 177252950 /nfs/dbraw/zinc/25/29/50/177252950.db2.gz GEMPYFUTWHOMBE-VIFPVBQESA-N 1 2 240.303 -0.510 20 0 BBADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)C1CC(=O)C1 ZINC000333710022 177252948 /nfs/dbraw/zinc/25/29/48/177252948.db2.gz GEMPYFUTWHOMBE-VIFPVBQESA-N 1 2 240.303 -0.510 20 0 BBADLO C[C@@H](CO)CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000334002146 387059200 /nfs/dbraw/zinc/05/92/00/387059200.db2.gz JPRRAWCGOQWNBN-NXEZZACHSA-N 1 2 245.323 -0.755 20 0 BBADLO C[C@@H](CO)CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000334002146 387059197 /nfs/dbraw/zinc/05/91/97/387059197.db2.gz JPRRAWCGOQWNBN-NXEZZACHSA-N 1 2 245.323 -0.755 20 0 BBADLO C[C@@H](CO)CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000334002147 387059282 /nfs/dbraw/zinc/05/92/82/387059282.db2.gz JPRRAWCGOQWNBN-ZJUUUORDSA-N 1 2 245.323 -0.755 20 0 BBADLO C[C@@H](CO)CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000334002147 387059280 /nfs/dbraw/zinc/05/92/80/387059280.db2.gz JPRRAWCGOQWNBN-ZJUUUORDSA-N 1 2 245.323 -0.755 20 0 BBADLO O=C1CN(c2cc(NC3CC3)nc[nH+]2)CCN1 ZINC000334026048 132246233 /nfs/dbraw/zinc/24/62/33/132246233.db2.gz HJWRQXSHTDRLCK-UHFFFAOYSA-N 1 2 233.275 -0.013 20 0 BBADLO O=C1CN(c2cc(NC3CC3)[nH+]cn2)CCN1 ZINC000334026048 132246232 /nfs/dbraw/zinc/24/62/32/132246232.db2.gz HJWRQXSHTDRLCK-UHFFFAOYSA-N 1 2 233.275 -0.013 20 0 BBADLO C[C@@H](O)CCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000334033314 387061817 /nfs/dbraw/zinc/06/18/17/387061817.db2.gz VXLWKQFGVWXAPB-NXEZZACHSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@@H](O)CCNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000334033314 387061814 /nfs/dbraw/zinc/06/18/14/387061814.db2.gz VXLWKQFGVWXAPB-NXEZZACHSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@@H](O)CCNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000334033319 387061781 /nfs/dbraw/zinc/06/17/81/387061781.db2.gz VXLWKQFGVWXAPB-ZJUUUORDSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@@H](O)CCNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000334033319 387061776 /nfs/dbraw/zinc/06/17/76/387061776.db2.gz VXLWKQFGVWXAPB-ZJUUUORDSA-N 1 2 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CNC(=O)[C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000334384947 135381309 /nfs/dbraw/zinc/38/13/09/135381309.db2.gz MNRVZIKTUXJKML-RXMQYKEDSA-N 1 2 210.237 -0.418 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000334397443 135388782 /nfs/dbraw/zinc/38/87/82/135388782.db2.gz CJFVSIMGHTYOPC-BDAKNGLRSA-N 1 2 227.308 -0.374 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000334397443 135388781 /nfs/dbraw/zinc/38/87/81/135388781.db2.gz CJFVSIMGHTYOPC-BDAKNGLRSA-N 1 2 227.308 -0.374 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000334397447 135389154 /nfs/dbraw/zinc/38/91/54/135389154.db2.gz CJFVSIMGHTYOPC-DTWKUNHWSA-N 1 2 227.308 -0.374 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000334397447 135389153 /nfs/dbraw/zinc/38/91/53/135389153.db2.gz CJFVSIMGHTYOPC-DTWKUNHWSA-N 1 2 227.308 -0.374 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000334397448 135388885 /nfs/dbraw/zinc/38/88/85/135388885.db2.gz CJFVSIMGHTYOPC-IUCAKERBSA-N 1 2 227.308 -0.374 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000334397448 135388883 /nfs/dbraw/zinc/38/88/83/135388883.db2.gz CJFVSIMGHTYOPC-IUCAKERBSA-N 1 2 227.308 -0.374 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000334397450 135389026 /nfs/dbraw/zinc/38/90/26/135389026.db2.gz CJFVSIMGHTYOPC-RKDXNWHRSA-N 1 2 227.308 -0.374 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000334397450 135389025 /nfs/dbraw/zinc/38/90/25/135389025.db2.gz CJFVSIMGHTYOPC-RKDXNWHRSA-N 1 2 227.308 -0.374 20 0 BBADLO O=C1NCCN1CC[N@H+]1CCOCC12CC2 ZINC000334401625 135390415 /nfs/dbraw/zinc/39/04/15/135390415.db2.gz FRVQDGVCOPIITQ-UHFFFAOYSA-N 1 2 225.292 -0.124 20 0 BBADLO O=C1NCCN1CC[N@@H+]1CCOCC12CC2 ZINC000334401625 135390413 /nfs/dbraw/zinc/39/04/13/135390413.db2.gz FRVQDGVCOPIITQ-UHFFFAOYSA-N 1 2 225.292 -0.124 20 0 BBADLO C[C@@]1(F)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000334428996 386039294 /nfs/dbraw/zinc/03/92/94/386039294.db2.gz YNFFSSAHHJCHLW-MRVPVSSYSA-N 1 2 203.217 -0.385 20 0 BBADLO C[C@@]1(F)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC000334428996 386039291 /nfs/dbraw/zinc/03/92/91/386039291.db2.gz YNFFSSAHHJCHLW-MRVPVSSYSA-N 1 2 203.217 -0.385 20 0 BBADLO C[C@]1(F)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000334429103 386039397 /nfs/dbraw/zinc/03/93/97/386039397.db2.gz YNFFSSAHHJCHLW-QMMMGPOBSA-N 1 2 203.217 -0.385 20 0 BBADLO C[C@]1(F)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC000334429103 386039395 /nfs/dbraw/zinc/03/93/95/386039395.db2.gz YNFFSSAHHJCHLW-QMMMGPOBSA-N 1 2 203.217 -0.385 20 0 BBADLO C[C@H]1C[N@@H+](CCN2CCNC2=O)CCO1 ZINC000334460875 386123659 /nfs/dbraw/zinc/12/36/59/386123659.db2.gz OAYPYQKDVMVREC-VIFPVBQESA-N 1 2 213.281 -0.268 20 0 BBADLO C[C@H]1C[N@H+](CCN2CCNC2=O)CCO1 ZINC000334460875 386123650 /nfs/dbraw/zinc/12/36/50/386123650.db2.gz OAYPYQKDVMVREC-VIFPVBQESA-N 1 2 213.281 -0.268 20 0 BBADLO C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)CC(=O)N1C ZINC000334463482 386128981 /nfs/dbraw/zinc/12/89/81/386128981.db2.gz RSIBIZKIJVDROM-BDAKNGLRSA-N 1 2 225.292 -0.620 20 0 BBADLO C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)CC(=O)N1C ZINC000334463482 386128975 /nfs/dbraw/zinc/12/89/75/386128975.db2.gz RSIBIZKIJVDROM-BDAKNGLRSA-N 1 2 225.292 -0.620 20 0 BBADLO C[C@H]1C[N@H+]([C@@H]2CCN(C)C2=O)CC(=O)N1C ZINC000334463484 386128724 /nfs/dbraw/zinc/12/87/24/386128724.db2.gz RSIBIZKIJVDROM-DTWKUNHWSA-N 1 2 225.292 -0.620 20 0 BBADLO C[C@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)CC(=O)N1C ZINC000334463484 386128720 /nfs/dbraw/zinc/12/87/20/386128720.db2.gz RSIBIZKIJVDROM-DTWKUNHWSA-N 1 2 225.292 -0.620 20 0 BBADLO C[C@H]1C[N@H+]([C@H]2CCN(C)C2=O)CC(=O)N1C ZINC000334463485 386129000 /nfs/dbraw/zinc/12/90/00/386129000.db2.gz RSIBIZKIJVDROM-IUCAKERBSA-N 1 2 225.292 -0.620 20 0 BBADLO C[C@H]1C[N@@H+]([C@H]2CCN(C)C2=O)CC(=O)N1C ZINC000334463485 386128994 /nfs/dbraw/zinc/12/89/94/386128994.db2.gz RSIBIZKIJVDROM-IUCAKERBSA-N 1 2 225.292 -0.620 20 0 BBADLO C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)CC(=O)N1C ZINC000334463487 386129971 /nfs/dbraw/zinc/12/99/71/386129971.db2.gz RSIBIZKIJVDROM-RKDXNWHRSA-N 1 2 225.292 -0.620 20 0 BBADLO C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)CC(=O)N1C ZINC000334463487 386129964 /nfs/dbraw/zinc/12/99/64/386129964.db2.gz RSIBIZKIJVDROM-RKDXNWHRSA-N 1 2 225.292 -0.620 20 0 BBADLO CC[NH+]1CCN(C(=O)C(=O)N(C)C2CC2)CC1 ZINC000334511639 353516082 /nfs/dbraw/zinc/51/60/82/353516082.db2.gz OODULZRPYAYOKT-UHFFFAOYSA-N 1 2 239.319 -0.229 20 0 BBADLO CCN(C)C(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000334512012 353527938 /nfs/dbraw/zinc/52/79/38/353527938.db2.gz PWXBYQVBPCPRRE-UHFFFAOYSA-N 1 2 227.308 -0.371 20 0 BBADLO CN(CC1CC1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000334512561 353540416 /nfs/dbraw/zinc/54/04/16/353540416.db2.gz BEUDVRILCXYHKF-UHFFFAOYSA-N 1 2 239.319 -0.371 20 0 BBADLO O=C(N[C@H]1CNC(=O)C1)c1ccc2[nH+]ccn2c1 ZINC000334514252 353579186 /nfs/dbraw/zinc/57/91/86/353579186.db2.gz HNDAVZZEBBQHAJ-SECBINFHSA-N 1 2 244.254 -0.047 20 0 BBADLO O=C(N[C@@H]1CNC(=O)C1)c1ccc2[nH+]ccn2c1 ZINC000334514253 353579023 /nfs/dbraw/zinc/57/90/23/353579023.db2.gz HNDAVZZEBBQHAJ-VIFPVBQESA-N 1 2 244.254 -0.047 20 0 BBADLO CCN(C)C(=O)C[N@H+]1CCNC(=O)CC1 ZINC000334514814 353591650 /nfs/dbraw/zinc/59/16/50/353591650.db2.gz BGIHXGUBPSXXJM-UHFFFAOYSA-N 1 2 213.281 -0.713 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000334514814 353591648 /nfs/dbraw/zinc/59/16/48/353591648.db2.gz BGIHXGUBPSXXJM-UHFFFAOYSA-N 1 2 213.281 -0.713 20 0 BBADLO C[C@H]1C[N@@H+](CCN2CCCC2=O)CC(=O)N1C ZINC000334531228 353909279 /nfs/dbraw/zinc/90/92/79/353909279.db2.gz QRBTZQZESITYKV-JTQLQIEISA-N 1 2 239.319 -0.229 20 0 BBADLO C[C@H]1C[N@H+](CCN2CCCC2=O)CC(=O)N1C ZINC000334531228 353909277 /nfs/dbraw/zinc/90/92/77/353909277.db2.gz QRBTZQZESITYKV-JTQLQIEISA-N 1 2 239.319 -0.229 20 0 BBADLO C[C@@H]1C[N@@H+](CCN2CCCC2=O)CC(=O)N1C ZINC000334531229 353909373 /nfs/dbraw/zinc/90/93/73/353909373.db2.gz QRBTZQZESITYKV-SNVBAGLBSA-N 1 2 239.319 -0.229 20 0 BBADLO C[C@@H]1C[N@H+](CCN2CCCC2=O)CC(=O)N1C ZINC000334531229 353909371 /nfs/dbraw/zinc/90/93/71/353909371.db2.gz QRBTZQZESITYKV-SNVBAGLBSA-N 1 2 239.319 -0.229 20 0 BBADLO CCN(C)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000334548511 135690370 /nfs/dbraw/zinc/69/03/70/135690370.db2.gz YKNHCDCTOLRHTG-UHFFFAOYSA-N 1 2 239.319 -0.229 20 0 BBADLO CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000334559719 536312697 /nfs/dbraw/zinc/31/26/97/536312697.db2.gz DNNGOQWHMXYNQL-SECBINFHSA-N 1 2 215.297 -0.022 20 0 BBADLO CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000334559725 536312989 /nfs/dbraw/zinc/31/29/89/536312989.db2.gz DNNGOQWHMXYNQL-VIFPVBQESA-N 1 2 215.297 -0.022 20 0 BBADLO CC[C@@H](F)C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000334614548 354299744 /nfs/dbraw/zinc/29/97/44/354299744.db2.gz MBTIZGGSWDWXTL-BDAKNGLRSA-N 1 2 243.282 -0.623 20 0 BBADLO CC[C@@H](F)C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000334614548 354299741 /nfs/dbraw/zinc/29/97/41/354299741.db2.gz MBTIZGGSWDWXTL-BDAKNGLRSA-N 1 2 243.282 -0.623 20 0 BBADLO CC[C@H](F)C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000334614549 354299342 /nfs/dbraw/zinc/29/93/42/354299342.db2.gz MBTIZGGSWDWXTL-DTWKUNHWSA-N 1 2 243.282 -0.623 20 0 BBADLO CC[C@H](F)C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000334614549 354299338 /nfs/dbraw/zinc/29/93/38/354299338.db2.gz MBTIZGGSWDWXTL-DTWKUNHWSA-N 1 2 243.282 -0.623 20 0 BBADLO CC[C@H](F)C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000334614550 354299707 /nfs/dbraw/zinc/29/97/07/354299707.db2.gz MBTIZGGSWDWXTL-IUCAKERBSA-N 1 2 243.282 -0.623 20 0 BBADLO CC[C@H](F)C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000334614550 354299704 /nfs/dbraw/zinc/29/97/04/354299704.db2.gz MBTIZGGSWDWXTL-IUCAKERBSA-N 1 2 243.282 -0.623 20 0 BBADLO CC[C@@H](F)C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000334614551 354299665 /nfs/dbraw/zinc/29/96/65/354299665.db2.gz MBTIZGGSWDWXTL-RKDXNWHRSA-N 1 2 243.282 -0.623 20 0 BBADLO CC[C@@H](F)C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000334614551 354299661 /nfs/dbraw/zinc/29/96/61/354299661.db2.gz MBTIZGGSWDWXTL-RKDXNWHRSA-N 1 2 243.282 -0.623 20 0 BBADLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCC(F)F)C[C@H]21 ZINC000334630952 354373967 /nfs/dbraw/zinc/37/39/67/354373967.db2.gz WSNFWDNVQXOLHV-HTQZYQBOSA-N 1 2 249.261 -0.024 20 0 BBADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCC(F)F)C[C@H]21 ZINC000334630952 354373965 /nfs/dbraw/zinc/37/39/65/354373965.db2.gz WSNFWDNVQXOLHV-HTQZYQBOSA-N 1 2 249.261 -0.024 20 0 BBADLO C[N@H+]1CCO[C@H]2CN(C(=O)NCC(F)F)C[C@H]21 ZINC000334630954 354374071 /nfs/dbraw/zinc/37/40/71/354374071.db2.gz WSNFWDNVQXOLHV-SFYZADRCSA-N 1 2 249.261 -0.024 20 0 BBADLO C[N@@H+]1CCO[C@H]2CN(C(=O)NCC(F)F)C[C@H]21 ZINC000334630954 354374069 /nfs/dbraw/zinc/37/40/69/354374069.db2.gz WSNFWDNVQXOLHV-SFYZADRCSA-N 1 2 249.261 -0.024 20 0 BBADLO CNC(=O)N[C@@H]1CCN(Cc2[nH+]ccn2C)C1 ZINC000334690899 354479848 /nfs/dbraw/zinc/47/98/48/354479848.db2.gz ZQXGPZKILMBZPN-SECBINFHSA-N 1 2 237.307 -0.077 20 0 BBADLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC000334690899 354479843 /nfs/dbraw/zinc/47/98/43/354479843.db2.gz ZQXGPZKILMBZPN-SECBINFHSA-N 1 2 237.307 -0.077 20 0 BBADLO CNC(=O)N[C@@H]1CC[N@H+](Cc2nccn2C)C1 ZINC000334690899 354479838 /nfs/dbraw/zinc/47/98/38/354479838.db2.gz ZQXGPZKILMBZPN-SECBINFHSA-N 1 2 237.307 -0.077 20 0 BBADLO CNC(=O)N[C@H]1CCN(Cc2[nH+]ccn2C)C1 ZINC000334690902 354479877 /nfs/dbraw/zinc/47/98/77/354479877.db2.gz ZQXGPZKILMBZPN-VIFPVBQESA-N 1 2 237.307 -0.077 20 0 BBADLO CNC(=O)N[C@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC000334690902 354479875 /nfs/dbraw/zinc/47/98/75/354479875.db2.gz ZQXGPZKILMBZPN-VIFPVBQESA-N 1 2 237.307 -0.077 20 0 BBADLO CNC(=O)N[C@H]1CC[N@H+](Cc2nccn2C)C1 ZINC000334690902 354479871 /nfs/dbraw/zinc/47/98/71/354479871.db2.gz ZQXGPZKILMBZPN-VIFPVBQESA-N 1 2 237.307 -0.077 20 0 BBADLO CCNC(=O)C[N@H+]1CCN(C(C)=O)C[C@H]1C ZINC000334694388 354484595 /nfs/dbraw/zinc/48/45/95/354484595.db2.gz ZKYQODHZISZTJZ-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CCNC(=O)C[N@@H+]1CCN(C(C)=O)C[C@H]1C ZINC000334694388 354484592 /nfs/dbraw/zinc/48/45/92/354484592.db2.gz ZKYQODHZISZTJZ-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CCNC(=O)C[N@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000334694390 354484681 /nfs/dbraw/zinc/48/46/81/354484681.db2.gz ZKYQODHZISZTJZ-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO CCNC(=O)C[N@@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000334694390 354484678 /nfs/dbraw/zinc/48/46/78/354484678.db2.gz ZKYQODHZISZTJZ-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO C[NH+]1CCN(C(=O)[C@@H](O)C2CCC2)CC1 ZINC000334770632 386822157 /nfs/dbraw/zinc/82/21/57/386822157.db2.gz ROEQYHUPLYCMLX-JTQLQIEISA-N 1 2 212.293 -0.079 20 0 BBADLO C[NH+]1CCN(C(=O)[C@H](O)C2CCC2)CC1 ZINC000334770634 386821516 /nfs/dbraw/zinc/82/15/16/386821516.db2.gz ROEQYHUPLYCMLX-SNVBAGLBSA-N 1 2 212.293 -0.079 20 0 BBADLO CCN(C)C(=O)C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000334778288 386831802 /nfs/dbraw/zinc/83/18/02/386831802.db2.gz OQBBFMKCTJRTKP-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000334778288 386831794 /nfs/dbraw/zinc/83/17/94/386831794.db2.gz OQBBFMKCTJRTKP-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](F)C1 ZINC000334812492 354569848 /nfs/dbraw/zinc/56/98/48/354569848.db2.gz QVDDHGRWOCIYMU-BQBZGAKWSA-N 1 2 217.244 -0.126 20 0 BBADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000334812492 354569845 /nfs/dbraw/zinc/56/98/45/354569845.db2.gz QVDDHGRWOCIYMU-BQBZGAKWSA-N 1 2 217.244 -0.126 20 0 BBADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000334812494 354569950 /nfs/dbraw/zinc/56/99/50/354569950.db2.gz QVDDHGRWOCIYMU-NKWVEPMBSA-N 1 2 217.244 -0.126 20 0 BBADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000334812494 354569948 /nfs/dbraw/zinc/56/99/48/354569948.db2.gz QVDDHGRWOCIYMU-NKWVEPMBSA-N 1 2 217.244 -0.126 20 0 BBADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000334812495 354569728 /nfs/dbraw/zinc/56/97/28/354569728.db2.gz QVDDHGRWOCIYMU-RNFRBKRXSA-N 1 2 217.244 -0.126 20 0 BBADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000334812495 354569724 /nfs/dbraw/zinc/56/97/24/354569724.db2.gz QVDDHGRWOCIYMU-RNFRBKRXSA-N 1 2 217.244 -0.126 20 0 BBADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](F)C1 ZINC000334812496 354569626 /nfs/dbraw/zinc/56/96/26/354569626.db2.gz QVDDHGRWOCIYMU-RQJHMYQMSA-N 1 2 217.244 -0.126 20 0 BBADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000334812496 354569623 /nfs/dbraw/zinc/56/96/23/354569623.db2.gz QVDDHGRWOCIYMU-RQJHMYQMSA-N 1 2 217.244 -0.126 20 0 BBADLO O=C(C[N@@H+]1CC[C@@H](F)C1)N1CCOCC1 ZINC000334818626 386948350 /nfs/dbraw/zinc/94/83/50/386948350.db2.gz NSVMAOMWCMBNOF-SECBINFHSA-N 1 2 216.256 -0.111 20 0 BBADLO O=C(C[N@H+]1CC[C@@H](F)C1)N1CCOCC1 ZINC000334818626 386948342 /nfs/dbraw/zinc/94/83/42/386948342.db2.gz NSVMAOMWCMBNOF-SECBINFHSA-N 1 2 216.256 -0.111 20 0 BBADLO O=C(C[N@@H+]1CC[C@H](F)C1)N1CCOCC1 ZINC000334818628 386947201 /nfs/dbraw/zinc/94/72/01/386947201.db2.gz NSVMAOMWCMBNOF-VIFPVBQESA-N 1 2 216.256 -0.111 20 0 BBADLO O=C(C[N@H+]1CC[C@H](F)C1)N1CCOCC1 ZINC000334818628 386947196 /nfs/dbraw/zinc/94/71/96/386947196.db2.gz NSVMAOMWCMBNOF-VIFPVBQESA-N 1 2 216.256 -0.111 20 0 BBADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000334818640 386947332 /nfs/dbraw/zinc/94/73/32/386947332.db2.gz OAMVZPARKQNVIV-SSDOTTSWSA-N 1 2 217.244 -0.124 20 0 BBADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000334818640 386947331 /nfs/dbraw/zinc/94/73/31/386947331.db2.gz OAMVZPARKQNVIV-SSDOTTSWSA-N 1 2 217.244 -0.124 20 0 BBADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@H](F)C1 ZINC000334818644 386947745 /nfs/dbraw/zinc/94/77/45/386947745.db2.gz OAMVZPARKQNVIV-ZETCQYMHSA-N 1 2 217.244 -0.124 20 0 BBADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000334818644 386947742 /nfs/dbraw/zinc/94/77/42/386947742.db2.gz OAMVZPARKQNVIV-ZETCQYMHSA-N 1 2 217.244 -0.124 20 0 BBADLO CCN(C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000334832058 384577956 /nfs/dbraw/zinc/57/79/56/384577956.db2.gz PCAIUHHEABNERI-JTQLQIEISA-N 1 2 226.324 -0.353 20 0 BBADLO CCN(C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000334832065 388447052 /nfs/dbraw/zinc/44/70/52/388447052.db2.gz PCAIUHHEABNERI-SNVBAGLBSA-N 1 2 226.324 -0.353 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)C ZINC000334877253 386938620 /nfs/dbraw/zinc/93/86/20/386938620.db2.gz HWTQBCFCMAVZFQ-SECBINFHSA-N 1 2 215.297 -0.022 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)C ZINC000334877253 386938616 /nfs/dbraw/zinc/93/86/16/386938616.db2.gz HWTQBCFCMAVZFQ-SECBINFHSA-N 1 2 215.297 -0.022 20 0 BBADLO C[C@H]1COCC[N@H+]1CCNC(=O)N(C)C ZINC000334877254 386938595 /nfs/dbraw/zinc/93/85/95/386938595.db2.gz HWTQBCFCMAVZFQ-VIFPVBQESA-N 1 2 215.297 -0.022 20 0 BBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)C ZINC000334877254 386938592 /nfs/dbraw/zinc/93/85/92/386938592.db2.gz HWTQBCFCMAVZFQ-VIFPVBQESA-N 1 2 215.297 -0.022 20 0 BBADLO Cn1cccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000334905173 386981099 /nfs/dbraw/zinc/98/10/99/386981099.db2.gz UKWMEWYQISBBLF-UHFFFAOYSA-N 1 2 243.332 -0.039 20 0 BBADLO CCS(=O)(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000334965934 384720192 /nfs/dbraw/zinc/72/01/92/384720192.db2.gz BQILJUGLUSJBGT-MRVPVSSYSA-N 1 2 224.301 -0.031 20 0 BBADLO CCS(=O)(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000334965936 387046268 /nfs/dbraw/zinc/04/62/68/387046268.db2.gz BQILJUGLUSJBGT-QMMMGPOBSA-N 1 2 224.301 -0.031 20 0 BBADLO CN(C)C(=O)C[N@@H+](C)[C@@H]1CCCNC1=O ZINC000334989815 387078621 /nfs/dbraw/zinc/07/86/21/387078621.db2.gz YBZPTLYTFGRGLX-MRVPVSSYSA-N 1 2 213.281 -0.715 20 0 BBADLO CN(C)C(=O)C[N@H+](C)[C@@H]1CCCNC1=O ZINC000334989815 387078617 /nfs/dbraw/zinc/07/86/17/387078617.db2.gz YBZPTLYTFGRGLX-MRVPVSSYSA-N 1 2 213.281 -0.715 20 0 BBADLO CN(C)C(=O)C[N@@H+](C)[C@H]1CCCNC1=O ZINC000334989817 387078291 /nfs/dbraw/zinc/07/82/91/387078291.db2.gz YBZPTLYTFGRGLX-QMMMGPOBSA-N 1 2 213.281 -0.715 20 0 BBADLO CN(C)C(=O)C[N@H+](C)[C@H]1CCCNC1=O ZINC000334989817 387078288 /nfs/dbraw/zinc/07/82/88/387078288.db2.gz YBZPTLYTFGRGLX-QMMMGPOBSA-N 1 2 213.281 -0.715 20 0 BBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1CC12CC2 ZINC000335028883 384501535 /nfs/dbraw/zinc/50/15/35/384501535.db2.gz ZPFWZQAVNXUXLM-GHMZBOCLSA-N 1 2 235.331 -0.098 20 0 BBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1CC12CC2 ZINC000335028885 384500828 /nfs/dbraw/zinc/50/08/28/384500828.db2.gz ZPFWZQAVNXUXLM-MNOVXSKESA-N 1 2 235.331 -0.098 20 0 BBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1CC12CC2 ZINC000335028887 384501106 /nfs/dbraw/zinc/50/11/06/384501106.db2.gz ZPFWZQAVNXUXLM-QWRGUYRKSA-N 1 2 235.331 -0.098 20 0 BBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1CC12CC2 ZINC000335028889 384500193 /nfs/dbraw/zinc/50/01/93/384500193.db2.gz ZPFWZQAVNXUXLM-WDEREUQCSA-N 1 2 235.331 -0.098 20 0 BBADLO C[C@@H]1C[N@@H+](CCNC(=O)N(C)C)CCO1 ZINC000335056124 385957258 /nfs/dbraw/zinc/95/72/58/385957258.db2.gz WGNXLKXDXRLLHR-SECBINFHSA-N 1 2 215.297 -0.022 20 0 BBADLO C[C@@H]1C[N@H+](CCNC(=O)N(C)C)CCO1 ZINC000335056124 385957256 /nfs/dbraw/zinc/95/72/56/385957256.db2.gz WGNXLKXDXRLLHR-SECBINFHSA-N 1 2 215.297 -0.022 20 0 BBADLO C[C@H]1C[N@@H+](CCNC(=O)N(C)C)CCO1 ZINC000335056126 385955424 /nfs/dbraw/zinc/95/54/24/385955424.db2.gz WGNXLKXDXRLLHR-VIFPVBQESA-N 1 2 215.297 -0.022 20 0 BBADLO 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CNC(=O)N[C@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC000335253700 355210504 /nfs/dbraw/zinc/21/05/04/355210504.db2.gz UCLZXZMXWJANSK-VIFPVBQESA-N 1 2 237.307 -0.077 20 0 BBADLO CN(C)C(=O)C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000335282348 136000565 /nfs/dbraw/zinc/00/05/65/136000565.db2.gz SYPINZOEXNZAOK-SECBINFHSA-N 1 2 225.292 -0.619 20 0 BBADLO CN(C)C(=O)C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000335282348 136000564 /nfs/dbraw/zinc/00/05/64/136000564.db2.gz SYPINZOEXNZAOK-SECBINFHSA-N 1 2 225.292 -0.619 20 0 BBADLO CN(C)C(=O)C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000335282349 136000496 /nfs/dbraw/zinc/00/04/96/136000496.db2.gz SYPINZOEXNZAOK-VIFPVBQESA-N 1 2 225.292 -0.619 20 0 BBADLO CN(C)C(=O)C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000335282349 136000495 /nfs/dbraw/zinc/00/04/95/136000495.db2.gz SYPINZOEXNZAOK-VIFPVBQESA-N 1 2 225.292 -0.619 20 0 BBADLO CSCC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000335300725 136023739 /nfs/dbraw/zinc/02/37/39/136023739.db2.gz KLNYQNMUXHTJKX-DTWKUNHWSA-N 1 2 230.333 -0.109 20 0 BBADLO 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355673751 /nfs/dbraw/zinc/67/37/51/355673751.db2.gz WUTUUTYIPLUZIN-VIFPVBQESA-N 1 2 240.307 -0.826 20 0 BBADLO CNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000335914630 356149855 /nfs/dbraw/zinc/14/98/55/356149855.db2.gz XBOHRWBFIJPDRG-UHFFFAOYSA-N 1 2 201.270 -0.410 20 0 BBADLO CN1CC[C@@H]([N@H+]2CCN3C(=O)CC[C@@H]3C2)C1=O ZINC000335919012 356165650 /nfs/dbraw/zinc/16/56/50/356165650.db2.gz ZIBAGZUGZGJFDO-NXEZZACHSA-N 1 2 237.303 -0.476 20 0 BBADLO CN1CC[C@@H]([N@@H+]2CCN3C(=O)CC[C@@H]3C2)C1=O ZINC000335919012 356165648 /nfs/dbraw/zinc/16/56/48/356165648.db2.gz ZIBAGZUGZGJFDO-NXEZZACHSA-N 1 2 237.303 -0.476 20 0 BBADLO CN1CC[C@H]([N@H+]2CCN3C(=O)CC[C@H]3C2)C1=O ZINC000335919013 344086890 /nfs/dbraw/zinc/08/68/90/344086890.db2.gz ZIBAGZUGZGJFDO-UWVGGRQHSA-N 1 2 237.303 -0.476 20 0 BBADLO CN1CC[C@H]([N@@H+]2CCN3C(=O)CC[C@H]3C2)C1=O ZINC000335919013 344086888 /nfs/dbraw/zinc/08/68/88/344086888.db2.gz ZIBAGZUGZGJFDO-UWVGGRQHSA-N 1 2 237.303 -0.476 20 0 BBADLO CN1CC[C@@H]([N@H+]2CCN3C(=O)CC[C@H]3C2)C1=O ZINC000335919014 344086833 /nfs/dbraw/zinc/08/68/33/344086833.db2.gz ZIBAGZUGZGJFDO-VHSXEESVSA-N 1 2 237.303 -0.476 20 0 BBADLO CN1CC[C@@H]([N@@H+]2CCN3C(=O)CC[C@H]3C2)C1=O ZINC000335919014 344086831 /nfs/dbraw/zinc/08/68/31/344086831.db2.gz ZIBAGZUGZGJFDO-VHSXEESVSA-N 1 2 237.303 -0.476 20 0 BBADLO CN1CC[C@H]([N@H+]2CCN3C(=O)CC[C@@H]3C2)C1=O ZINC000335919015 344086668 /nfs/dbraw/zinc/08/66/68/344086668.db2.gz ZIBAGZUGZGJFDO-ZJUUUORDSA-N 1 2 237.303 -0.476 20 0 BBADLO CN1CC[C@H]([N@@H+]2CCN3C(=O)CC[C@@H]3C2)C1=O ZINC000335919015 344086666 /nfs/dbraw/zinc/08/66/66/344086666.db2.gz ZIBAGZUGZGJFDO-ZJUUUORDSA-N 1 2 237.303 -0.476 20 0 BBADLO CC(C)[C@@H](O)C(=O)N1CC[NH+](C)CC1 ZINC000335938270 134013105 /nfs/dbraw/zinc/01/31/05/134013105.db2.gz AQNJUZYEJODGHB-SECBINFHSA-N 1 2 200.282 -0.223 20 0 BBADLO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N1CCC1 ZINC000335947734 134020796 /nfs/dbraw/zinc/02/07/96/134020796.db2.gz MGQQQIQCWXLTEA-JTQLQIEISA-N 1 2 239.319 -0.181 20 0 BBADLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC1 ZINC000335947734 134020795 /nfs/dbraw/zinc/02/07/95/134020795.db2.gz MGQQQIQCWXLTEA-JTQLQIEISA-N 1 2 239.319 -0.181 20 0 BBADLO CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)N1CCC1 ZINC000335947735 134021124 /nfs/dbraw/zinc/02/11/24/134021124.db2.gz MGQQQIQCWXLTEA-SNVBAGLBSA-N 1 2 239.319 -0.181 20 0 BBADLO CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N1CCC1 ZINC000335947735 134021123 /nfs/dbraw/zinc/02/11/23/134021123.db2.gz MGQQQIQCWXLTEA-SNVBAGLBSA-N 1 2 239.319 -0.181 20 0 BBADLO CCN(C)C(=O)C[NH+]1CCN(C(C)=O)CC1 ZINC000335965029 134028087 /nfs/dbraw/zinc/02/80/87/134028087.db2.gz WGZYWKDGICQFJL-UHFFFAOYSA-N 1 2 227.308 -0.371 20 0 BBADLO Cn1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000335968368 134028892 /nfs/dbraw/zinc/02/88/92/134028892.db2.gz ZGTLNVGGLZHNLV-JTQLQIEISA-N 1 2 248.286 -0.239 20 0 BBADLO Cn1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC000335968369 134028764 /nfs/dbraw/zinc/02/87/64/134028764.db2.gz ZGTLNVGGLZHNLV-SNVBAGLBSA-N 1 2 248.286 -0.239 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000335971391 134029797 /nfs/dbraw/zinc/02/97/97/134029797.db2.gz KGFJOKREUQWOMH-BDAKNGLRSA-N 1 2 227.308 -0.374 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000335971391 134029796 /nfs/dbraw/zinc/02/97/96/134029796.db2.gz KGFJOKREUQWOMH-BDAKNGLRSA-N 1 2 227.308 -0.374 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000335971395 134029555 /nfs/dbraw/zinc/02/95/55/134029555.db2.gz KGFJOKREUQWOMH-DTWKUNHWSA-N 1 2 227.308 -0.374 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000335971395 134029554 /nfs/dbraw/zinc/02/95/54/134029554.db2.gz KGFJOKREUQWOMH-DTWKUNHWSA-N 1 2 227.308 -0.374 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000335971396 134029590 /nfs/dbraw/zinc/02/95/90/134029590.db2.gz KGFJOKREUQWOMH-IUCAKERBSA-N 1 2 227.308 -0.374 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000335971396 134029589 /nfs/dbraw/zinc/02/95/89/134029589.db2.gz KGFJOKREUQWOMH-IUCAKERBSA-N 1 2 227.308 -0.374 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000335971397 134029800 /nfs/dbraw/zinc/02/98/00/134029800.db2.gz KGFJOKREUQWOMH-RKDXNWHRSA-N 1 2 227.308 -0.374 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000335971397 134029799 /nfs/dbraw/zinc/02/97/99/134029799.db2.gz KGFJOKREUQWOMH-RKDXNWHRSA-N 1 2 227.308 -0.374 20 0 BBADLO CC1(C)CNC(=O)C[N@H+]1CCN1CCNC1=O ZINC000335992423 134041152 /nfs/dbraw/zinc/04/11/52/134041152.db2.gz BQFFHKXMBCXZHE-UHFFFAOYSA-N 1 2 240.307 -0.778 20 0 BBADLO CC1(C)CNC(=O)C[N@@H+]1CCN1CCNC1=O ZINC000335992423 134041151 /nfs/dbraw/zinc/04/11/51/134041151.db2.gz BQFFHKXMBCXZHE-UHFFFAOYSA-N 1 2 240.307 -0.778 20 0 BBADLO C[C@H](C[S@](C)=O)NC(=O)N1CC[NH+](C)CC1 ZINC000335992706 134041170 /nfs/dbraw/zinc/04/11/70/134041170.db2.gz KCIPUSBTOSOAAL-ABKXIKBNSA-N 1 2 247.364 -0.290 20 0 BBADLO C[C@@H](C[S@](C)=O)NC(=O)N1CC[NH+](C)CC1 ZINC000335992707 134041243 /nfs/dbraw/zinc/04/12/43/134041243.db2.gz KCIPUSBTOSOAAL-FVMDXXJSSA-N 1 2 247.364 -0.290 20 0 BBADLO C[C@H](C[S@@](C)=O)NC(=O)N1CC[NH+](C)CC1 ZINC000335992708 134041056 /nfs/dbraw/zinc/04/10/56/134041056.db2.gz KCIPUSBTOSOAAL-JDNHERCYSA-N 1 2 247.364 -0.290 20 0 BBADLO C[C@@H](C[S@@](C)=O)NC(=O)N1CC[NH+](C)CC1 ZINC000335992709 134041076 /nfs/dbraw/zinc/04/10/76/134041076.db2.gz KCIPUSBTOSOAAL-XXFAHNHDSA-N 1 2 247.364 -0.290 20 0 BBADLO Cn1cccc1C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000336013922 134052782 /nfs/dbraw/zinc/05/27/82/134052782.db2.gz WPDSBZSWMSHTDW-JTQLQIEISA-N 1 2 248.286 -0.239 20 0 BBADLO Cn1cccc1C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000336013922 134052781 /nfs/dbraw/zinc/05/27/81/134052781.db2.gz WPDSBZSWMSHTDW-JTQLQIEISA-N 1 2 248.286 -0.239 20 0 BBADLO Cn1cccc1C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000336013923 134052464 /nfs/dbraw/zinc/05/24/64/134052464.db2.gz WPDSBZSWMSHTDW-SNVBAGLBSA-N 1 2 248.286 -0.239 20 0 BBADLO Cn1cccc1C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000336013923 134052463 /nfs/dbraw/zinc/05/24/63/134052463.db2.gz WPDSBZSWMSHTDW-SNVBAGLBSA-N 1 2 248.286 -0.239 20 0 BBADLO CN(C)C(=O)CC[N@H+]1CCN(C)C(=O)C1 ZINC000336014497 134052452 /nfs/dbraw/zinc/05/24/52/134052452.db2.gz XFPPZAFLBLCAGV-UHFFFAOYSA-N 1 2 213.281 -0.761 20 0 BBADLO CN(C)C(=O)CC[N@@H+]1CCN(C)C(=O)C1 ZINC000336014497 134052451 /nfs/dbraw/zinc/05/24/51/134052451.db2.gz XFPPZAFLBLCAGV-UHFFFAOYSA-N 1 2 213.281 -0.761 20 0 BBADLO CNC(=O)N1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000336052184 536318599 /nfs/dbraw/zinc/31/85/99/536318599.db2.gz KKCVDWGPBHAGFW-SECBINFHSA-N 1 2 240.307 -0.778 20 0 BBADLO CNC(=O)N1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000336052185 173285465 /nfs/dbraw/zinc/28/54/65/173285465.db2.gz KKCVDWGPBHAGFW-VIFPVBQESA-N 1 2 240.307 -0.778 20 0 BBADLO CNC(=O)C[N@H+]1CCN(C(C)=O)C[C@H]1C ZINC000336069154 134071378 /nfs/dbraw/zinc/07/13/78/134071378.db2.gz NAAWKCUGBWCVFQ-MRVPVSSYSA-N 1 2 213.281 -0.715 20 0 BBADLO CNC(=O)C[N@@H+]1CCN(C(C)=O)C[C@H]1C ZINC000336069154 134071377 /nfs/dbraw/zinc/07/13/77/134071377.db2.gz NAAWKCUGBWCVFQ-MRVPVSSYSA-N 1 2 213.281 -0.715 20 0 BBADLO CNC(=O)C[N@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000336069155 134071349 /nfs/dbraw/zinc/07/13/49/134071349.db2.gz NAAWKCUGBWCVFQ-QMMMGPOBSA-N 1 2 213.281 -0.715 20 0 BBADLO CNC(=O)C[N@@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000336069155 134071348 /nfs/dbraw/zinc/07/13/48/134071348.db2.gz NAAWKCUGBWCVFQ-QMMMGPOBSA-N 1 2 213.281 -0.715 20 0 BBADLO CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000336097548 134080447 /nfs/dbraw/zinc/08/04/47/134080447.db2.gz BQBBHMCWGSDNIQ-SECBINFHSA-N 1 2 213.281 -0.221 20 0 BBADLO CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000336097548 134080446 /nfs/dbraw/zinc/08/04/46/134080446.db2.gz BQBBHMCWGSDNIQ-SECBINFHSA-N 1 2 213.281 -0.221 20 0 BBADLO CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000336097549 134080471 /nfs/dbraw/zinc/08/04/71/134080471.db2.gz BQBBHMCWGSDNIQ-VIFPVBQESA-N 1 2 213.281 -0.221 20 0 BBADLO CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000336097549 134080470 /nfs/dbraw/zinc/08/04/70/134080470.db2.gz BQBBHMCWGSDNIQ-VIFPVBQESA-N 1 2 213.281 -0.221 20 0 BBADLO CN1CC[C@H]([N@@H+](C)CC(=O)N2CCCC2)C1=O ZINC000336137079 134096150 /nfs/dbraw/zinc/09/61/50/134096150.db2.gz QCFDQRJJSUQYBM-JTQLQIEISA-N 1 2 239.319 -0.229 20 0 BBADLO CN1CC[C@H]([N@H+](C)CC(=O)N2CCCC2)C1=O ZINC000336137079 134096149 /nfs/dbraw/zinc/09/61/49/134096149.db2.gz QCFDQRJJSUQYBM-JTQLQIEISA-N 1 2 239.319 -0.229 20 0 BBADLO CN1CC[C@@H]([N@@H+](C)CC(=O)N2CCCC2)C1=O ZINC000336137080 134096240 /nfs/dbraw/zinc/09/62/40/134096240.db2.gz QCFDQRJJSUQYBM-SNVBAGLBSA-N 1 2 239.319 -0.229 20 0 BBADLO CN1CC[C@@H]([N@H+](C)CC(=O)N2CCCC2)C1=O ZINC000336137080 134096239 /nfs/dbraw/zinc/09/62/39/134096239.db2.gz QCFDQRJJSUQYBM-SNVBAGLBSA-N 1 2 239.319 -0.229 20 0 BBADLO CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000336149644 134103677 /nfs/dbraw/zinc/10/36/77/134103677.db2.gz WYRVXQHXMIBFJR-UHFFFAOYSA-N 1 2 213.281 -0.220 20 0 BBADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC1CC1 ZINC000336156393 134106331 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20 0 BBADLO C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)N1CCC1 ZINC000336538145 176045521 /nfs/dbraw/zinc/04/55/21/176045521.db2.gz VXCVURJOAHLOOX-SECBINFHSA-N 1 2 225.292 -0.571 20 0 BBADLO C[C@H]1C(=O)NCCC[N@@H+]1CC(=O)N1CCC1 ZINC000336538146 177058137 /nfs/dbraw/zinc/05/81/37/177058137.db2.gz VXCVURJOAHLOOX-VIFPVBQESA-N 1 2 225.292 -0.571 20 0 BBADLO C[C@H]1C(=O)NCCC[N@H+]1CC(=O)N1CCC1 ZINC000336538146 177058136 /nfs/dbraw/zinc/05/81/36/177058136.db2.gz VXCVURJOAHLOOX-VIFPVBQESA-N 1 2 225.292 -0.571 20 0 BBADLO CN1CC[C@@H](N2CCn3cc[nH+]c3C2)C1=O ZINC000336553052 173122222 /nfs/dbraw/zinc/12/22/22/173122222.db2.gz SQWRGEQHUPJZIK-SECBINFHSA-N 1 2 220.276 -0.071 20 0 BBADLO CN1CC[C@H](N2CCn3cc[nH+]c3C2)C1=O ZINC000336553053 173150303 /nfs/dbraw/zinc/15/03/03/173150303.db2.gz SQWRGEQHUPJZIK-VIFPVBQESA-N 1 2 220.276 -0.071 20 0 BBADLO CN(C)C(=O)C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000336586905 172365109 /nfs/dbraw/zinc/36/51/09/172365109.db2.gz BNGOROOMPBIWRS-JTQLQIEISA-N 1 2 218.272 -0.129 20 0 BBADLO CN(C)C(=O)C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000336586905 172365108 /nfs/dbraw/zinc/36/51/08/172365108.db2.gz BNGOROOMPBIWRS-JTQLQIEISA-N 1 2 218.272 -0.129 20 0 BBADLO CN(C)C(=O)C[N@H+]1CCC[C@](F)(CO)C1 ZINC000336586906 172365340 /nfs/dbraw/zinc/36/53/40/172365340.db2.gz BNGOROOMPBIWRS-SNVBAGLBSA-N 1 2 218.272 -0.129 20 0 BBADLO CN(C)C(=O)C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000336586906 172365339 /nfs/dbraw/zinc/36/53/39/172365339.db2.gz BNGOROOMPBIWRS-SNVBAGLBSA-N 1 2 218.272 -0.129 20 0 BBADLO C[NH+]1CCN(C(=O)[C@]2(O)CCSC2)CC1 ZINC000336587232 173070700 /nfs/dbraw/zinc/07/07/00/173070700.db2.gz ADJSGOLZQZQDEC-JTQLQIEISA-N 1 2 230.333 -0.372 20 0 BBADLO C[NH+]1CCN(C(=O)[C@@]2(O)CCSC2)CC1 ZINC000336587233 173071104 /nfs/dbraw/zinc/07/11/04/173071104.db2.gz ADJSGOLZQZQDEC-SNVBAGLBSA-N 1 2 230.333 -0.372 20 0 BBADLO C[NH+]1CCN(C(=O)C(=O)NCC(F)F)CC1 ZINC000336619980 173063756 /nfs/dbraw/zinc/06/37/56/173063756.db2.gz UWQOVEUIOPSOLZ-UHFFFAOYSA-N 1 2 235.234 -0.858 20 0 BBADLO Cc1cnn(CC[N@@H+]2CCN(C)C(=O)C2)c1 ZINC000336621027 387476304 /nfs/dbraw/zinc/47/63/04/387476304.db2.gz LZOMDLQMEYJJER-UHFFFAOYSA-N 1 2 222.292 -0.034 20 0 BBADLO Cc1cnn(CC[N@H+]2CCN(C)C(=O)C2)c1 ZINC000336621027 387476299 /nfs/dbraw/zinc/47/62/99/387476299.db2.gz LZOMDLQMEYJJER-UHFFFAOYSA-N 1 2 222.292 -0.034 20 0 BBADLO C[N@@H+](CCCS(N)(=O)=O)Cc1cc[nH]n1 ZINC000336643014 386248877 /nfs/dbraw/zinc/24/88/77/386248877.db2.gz BHZNTQFLPXDPKB-UHFFFAOYSA-N 1 2 232.309 -0.480 20 0 BBADLO C[N@H+](CCCS(N)(=O)=O)Cc1cc[nH]n1 ZINC000336643014 386248873 /nfs/dbraw/zinc/24/88/73/386248873.db2.gz BHZNTQFLPXDPKB-UHFFFAOYSA-N 1 2 232.309 -0.480 20 0 BBADLO Cn1nnnc1C[N@@H+](C)CC1(O)CCC1 ZINC000336643787 386243646 /nfs/dbraw/zinc/24/36/46/386243646.db2.gz DRXWCGVSOMTJTL-UHFFFAOYSA-N 1 2 211.269 -0.443 20 0 BBADLO Cn1nnnc1C[N@H+](C)CC1(O)CCC1 ZINC000336643787 386243641 /nfs/dbraw/zinc/24/36/41/386243641.db2.gz DRXWCGVSOMTJTL-UHFFFAOYSA-N 1 2 211.269 -0.443 20 0 BBADLO CCC[C@@H](NC(=O)Cn1cc[nH+]c1)C(N)=O ZINC000336644882 169395911 /nfs/dbraw/zinc/39/59/11/169395911.db2.gz COLLDYZKIFCQQO-MRVPVSSYSA-N 1 2 224.264 -0.347 20 0 BBADLO Cn1nnnc1C[N@@H+](C)CCCCCO ZINC000336645543 386250770 /nfs/dbraw/zinc/25/07/70/386250770.db2.gz ICPXLGYRVUBLCS-UHFFFAOYSA-N 1 2 213.285 -0.196 20 0 BBADLO Cn1nnnc1C[N@H+](C)CCCCCO ZINC000336645543 386250768 /nfs/dbraw/zinc/25/07/68/386250768.db2.gz ICPXLGYRVUBLCS-UHFFFAOYSA-N 1 2 213.285 -0.196 20 0 BBADLO CCOC[C@@H](O)CNc1[nH+]cnc(N)c1Cl ZINC000336646390 411342634 /nfs/dbraw/zinc/34/26/34/411342634.db2.gz DTLVSFNLUKRWCF-LURJTMIESA-N 1 2 246.698 0.522 20 0 BBADLO CCOC[C@@H](O)CNc1nc[nH+]c(N)c1Cl ZINC000336646390 411342631 /nfs/dbraw/zinc/34/26/31/411342631.db2.gz DTLVSFNLUKRWCF-LURJTMIESA-N 1 2 246.698 0.522 20 0 BBADLO CCOC[C@H](O)CNc1[nH+]cnc(N)c1Cl ZINC000336646392 411712200 /nfs/dbraw/zinc/71/22/00/411712200.db2.gz DTLVSFNLUKRWCF-ZCFIWIBFSA-N 1 2 246.698 0.522 20 0 BBADLO CCOC[C@H](O)CNc1nc[nH+]c(N)c1Cl ZINC000336646392 411712196 /nfs/dbraw/zinc/71/21/96/411712196.db2.gz DTLVSFNLUKRWCF-ZCFIWIBFSA-N 1 2 246.698 0.522 20 0 BBADLO CC(C)[C@H](CO)[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000336646586 191133404 /nfs/dbraw/zinc/13/34/04/191133404.db2.gz DCGFZACDAUQDGE-LURJTMIESA-N 1 2 200.242 -0.383 20 0 BBADLO COC(=O)C[N@H+]1CCSC[C@H]1CO ZINC000336647600 385049760 /nfs/dbraw/zinc/04/97/60/385049760.db2.gz FBLBANRMOQENRK-SSDOTTSWSA-N 1 2 205.279 -0.431 20 0 BBADLO COC(=O)C[N@@H+]1CCSC[C@H]1CO ZINC000336647600 385049754 /nfs/dbraw/zinc/04/97/54/385049754.db2.gz FBLBANRMOQENRK-SSDOTTSWSA-N 1 2 205.279 -0.431 20 0 BBADLO COC(=O)C[N@H+]1CCSC[C@@H]1CO ZINC000336647602 385049149 /nfs/dbraw/zinc/04/91/49/385049149.db2.gz FBLBANRMOQENRK-ZETCQYMHSA-N 1 2 205.279 -0.431 20 0 BBADLO COC(=O)C[N@@H+]1CCSC[C@@H]1CO ZINC000336647602 385049147 /nfs/dbraw/zinc/04/91/47/385049147.db2.gz FBLBANRMOQENRK-ZETCQYMHSA-N 1 2 205.279 -0.431 20 0 BBADLO Cc1nnc(C[N@@H+](C)CCOCCO)[nH]1 ZINC000336648499 386686073 /nfs/dbraw/zinc/68/60/73/386686073.db2.gz OWLBMKJRHFTSTR-UHFFFAOYSA-N 1 2 214.269 -0.446 20 0 BBADLO Cc1nnc(C[N@H+](C)CCOCCO)[nH]1 ZINC000336648499 386686068 /nfs/dbraw/zinc/68/60/68/386686068.db2.gz OWLBMKJRHFTSTR-UHFFFAOYSA-N 1 2 214.269 -0.446 20 0 BBADLO Cn1c[nH+]cc1CN1C(=O)[C@@H]2C[C@@H]2C1=O ZINC000336649214 188181520 /nfs/dbraw/zinc/18/15/20/188181520.db2.gz QOUOTPVQEXWLHM-OCAPTIKFSA-N 1 2 205.217 -0.075 20 0 BBADLO C[N@@H+](CCCS(N)(=O)=O)Cc1ccon1 ZINC000336650378 386263228 /nfs/dbraw/zinc/26/32/28/386263228.db2.gz SQMJPVFAQUJTHS-UHFFFAOYSA-N 1 2 233.293 -0.215 20 0 BBADLO C[N@H+](CCCS(N)(=O)=O)Cc1ccon1 ZINC000336650378 386263226 /nfs/dbraw/zinc/26/32/26/386263226.db2.gz SQMJPVFAQUJTHS-UHFFFAOYSA-N 1 2 233.293 -0.215 20 0 BBADLO C[NH+]1CCN(C(=O)c2nccnc2N)CC1 ZINC000336650705 173072579 /nfs/dbraw/zinc/07/25/79/173072579.db2.gz DVPAQGZQHROKQM-UHFFFAOYSA-N 1 2 221.264 -0.554 20 0 BBADLO CCOC[C@H](O)C[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000336650859 385050876 /nfs/dbraw/zinc/05/08/76/385050876.db2.gz HRFDNKXMWQSKBI-NXEZZACHSA-N 1 2 231.292 -0.075 20 0 BBADLO CCOC[C@@H](O)C[NH2+][C@H](C(=O)OC)C1CC1 ZINC000336650860 385620343 /nfs/dbraw/zinc/62/03/43/385620343.db2.gz HRFDNKXMWQSKBI-UWVGGRQHSA-N 1 2 231.292 -0.075 20 0 BBADLO CCOC[C@@H](O)C[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000336650861 385051042 /nfs/dbraw/zinc/05/10/42/385051042.db2.gz HRFDNKXMWQSKBI-VHSXEESVSA-N 1 2 231.292 -0.075 20 0 BBADLO CCOC[C@H](O)C[NH2+][C@H](C(=O)OC)C1CC1 ZINC000336650862 385619684 /nfs/dbraw/zinc/61/96/84/385619684.db2.gz HRFDNKXMWQSKBI-ZJUUUORDSA-N 1 2 231.292 -0.075 20 0 BBADLO COC[C@@H](O)C[NH2+]C(C)(C)C(=O)OC ZINC000336654784 385740867 /nfs/dbraw/zinc/74/08/67/385740867.db2.gz MUXKPSGYMINGHC-ZETCQYMHSA-N 1 2 205.254 -0.465 20 0 BBADLO CO[C@@H](C)C[N@@H+](C)Cc1nc(N)nc(N)n1 ZINC000336654913 385737238 /nfs/dbraw/zinc/73/72/38/385737238.db2.gz GYNFQAIFPRBWIZ-LURJTMIESA-N 1 2 226.284 -0.837 20 0 BBADLO CO[C@@H](C)C[N@H+](C)Cc1nc(N)nc(N)n1 ZINC000336654913 385737230 /nfs/dbraw/zinc/73/72/30/385737230.db2.gz GYNFQAIFPRBWIZ-LURJTMIESA-N 1 2 226.284 -0.837 20 0 BBADLO CO[C@H](C)C[N@@H+](C)Cc1nc(N)nc(N)n1 ZINC000336654914 385737883 /nfs/dbraw/zinc/73/78/83/385737883.db2.gz GYNFQAIFPRBWIZ-ZCFIWIBFSA-N 1 2 226.284 -0.837 20 0 BBADLO CO[C@H](C)C[N@H+](C)Cc1nc(N)nc(N)n1 ZINC000336654914 385737875 /nfs/dbraw/zinc/73/78/75/385737875.db2.gz GYNFQAIFPRBWIZ-ZCFIWIBFSA-N 1 2 226.284 -0.837 20 0 BBADLO O=C(C[NH2+]Cc1cc[nH]n1)NCC(F)F ZINC000336656097 398143686 /nfs/dbraw/zinc/14/36/86/398143686.db2.gz AJFMMEWQXIKHIJ-UHFFFAOYSA-N 1 2 218.207 -0.119 20 0 BBADLO O=C(CO)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000336661227 388099538 /nfs/dbraw/zinc/09/95/38/388099538.db2.gz BPCNHVHPANFSBG-JTQLQIEISA-N 1 2 221.260 -0.453 20 0 BBADLO O=C(CO)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000336661236 388100593 /nfs/dbraw/zinc/10/05/93/388100593.db2.gz BPCNHVHPANFSBG-SNVBAGLBSA-N 1 2 221.260 -0.453 20 0 BBADLO COC[C@@H](CO)[NH2+]Cc1cn(C(C)C)nn1 ZINC000336661705 388108890 /nfs/dbraw/zinc/10/88/90/388108890.db2.gz OGINMOYLHIUQSO-SNVBAGLBSA-N 1 2 228.296 -0.044 20 0 BBADLO CN1CC[NH+]([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000336661845 173092526 /nfs/dbraw/zinc/09/25/26/173092526.db2.gz CGOUPVQMOXNMKQ-LLVKDONJSA-N 1 2 223.320 -0.003 20 0 BBADLO CN1CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000336661848 173094675 /nfs/dbraw/zinc/09/46/75/173094675.db2.gz CGOUPVQMOXNMKQ-NSHDSACASA-N 1 2 223.320 -0.003 20 0 BBADLO CCS(=O)(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000336662732 386281931 /nfs/dbraw/zinc/28/19/31/386281931.db2.gz CQWZSOMRWWHNOS-JTQLQIEISA-N 1 2 248.348 -0.257 20 0 BBADLO CCS(=O)(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000336662740 386282626 /nfs/dbraw/zinc/28/26/26/386282626.db2.gz CQWZSOMRWWHNOS-SNVBAGLBSA-N 1 2 248.348 -0.257 20 0 BBADLO C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H](CO)O1 ZINC000336663476 176318033 /nfs/dbraw/zinc/31/80/33/176318033.db2.gz SDYGKJWXRYLRBT-BBBLOLIVSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H](CO)O1 ZINC000336663476 176318032 /nfs/dbraw/zinc/31/80/32/176318032.db2.gz SDYGKJWXRYLRBT-BBBLOLIVSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H](CO)O1 ZINC000336663482 176315646 /nfs/dbraw/zinc/31/56/46/176315646.db2.gz SDYGKJWXRYLRBT-KXUCPTDWSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H](CO)O1 ZINC000336663482 176315645 /nfs/dbraw/zinc/31/56/45/176315645.db2.gz SDYGKJWXRYLRBT-KXUCPTDWSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H](CO)O1 ZINC000336663483 176315627 /nfs/dbraw/zinc/31/56/27/176315627.db2.gz SDYGKJWXRYLRBT-OPRDCNLKSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H](CO)O1 ZINC000336663483 176315626 /nfs/dbraw/zinc/31/56/26/176315626.db2.gz SDYGKJWXRYLRBT-OPRDCNLKSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H](CO)O1 ZINC000336663484 176317990 /nfs/dbraw/zinc/31/79/90/176317990.db2.gz SDYGKJWXRYLRBT-UTLUCORTSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H](CO)O1 ZINC000336663484 176317989 /nfs/dbraw/zinc/31/79/89/176317989.db2.gz SDYGKJWXRYLRBT-UTLUCORTSA-N 1 2 228.292 -0.653 20 0 BBADLO CN(CCCS(N)(=O)=O)Cc1[nH+]ccn1C ZINC000336665329 386291333 /nfs/dbraw/zinc/29/13/33/386291333.db2.gz FPPRGYZBQCTIMD-UHFFFAOYSA-N 1 2 246.336 -0.470 20 0 BBADLO Cn1ccnc1C[N@@H+](C)CCCS(N)(=O)=O ZINC000336665329 386291331 /nfs/dbraw/zinc/29/13/31/386291331.db2.gz FPPRGYZBQCTIMD-UHFFFAOYSA-N 1 2 246.336 -0.470 20 0 BBADLO Cn1ccnc1C[N@H+](C)CCCS(N)(=O)=O ZINC000336665329 386291328 /nfs/dbraw/zinc/29/13/28/386291328.db2.gz FPPRGYZBQCTIMD-UHFFFAOYSA-N 1 2 246.336 -0.470 20 0 BBADLO Cn1nnnc1C[N@@H+](C)CC1(O)CCCC1 ZINC000336666161 386294062 /nfs/dbraw/zinc/29/40/62/386294062.db2.gz FUQNMAFVVFXDGQ-UHFFFAOYSA-N 1 2 225.296 -0.053 20 0 BBADLO Cn1nnnc1C[N@H+](C)CC1(O)CCCC1 ZINC000336666161 386294060 /nfs/dbraw/zinc/29/40/60/386294060.db2.gz FUQNMAFVVFXDGQ-UHFFFAOYSA-N 1 2 225.296 -0.053 20 0 BBADLO COC(=O)C(C)(C)[NH2+]CCOCCO ZINC000336666419 173506829 /nfs/dbraw/zinc/50/68/29/173506829.db2.gz VQWLZFLYFGMGON-UHFFFAOYSA-N 1 2 205.254 -0.464 20 0 BBADLO O=S1(=O)CCCN1CCn1cc[nH+]c1 ZINC000336669533 386313800 /nfs/dbraw/zinc/31/38/00/386313800.db2.gz FNCXDEOMFAZKTE-UHFFFAOYSA-N 1 2 215.278 -0.081 20 0 BBADLO COC1C[NH+](C[C@@H](O)CN2CCOCC2)C1 ZINC000336670136 174035753 /nfs/dbraw/zinc/03/57/53/174035753.db2.gz INXYRMSHDOMLHM-JTQLQIEISA-N 1 2 230.308 -0.990 20 0 BBADLO COC1C[NH+](C[C@H](O)CN2CCOCC2)C1 ZINC000336670154 174034475 /nfs/dbraw/zinc/03/44/75/174034475.db2.gz INXYRMSHDOMLHM-SNVBAGLBSA-N 1 2 230.308 -0.990 20 0 BBADLO NC(=O)[C@@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000336670458 412290373 /nfs/dbraw/zinc/29/03/73/412290373.db2.gz GYAWERBYVRFXHD-SSDOTTSWSA-N 1 2 222.248 -0.388 20 0 BBADLO NC(=O)[C@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000336670460 412291927 /nfs/dbraw/zinc/29/19/27/412291927.db2.gz GYAWERBYVRFXHD-ZETCQYMHSA-N 1 2 222.248 -0.388 20 0 BBADLO Cc1ccnc(C[N@H+](CCO)C[C@H](C)O)n1 ZINC000336670517 188011088 /nfs/dbraw/zinc/01/10/88/188011088.db2.gz RWXJTFVKCHRNBG-JTQLQIEISA-N 1 2 225.292 -0.040 20 0 BBADLO Cc1ccnc(C[N@@H+](CCO)C[C@H](C)O)n1 ZINC000336670517 188011087 /nfs/dbraw/zinc/01/10/87/188011087.db2.gz RWXJTFVKCHRNBG-JTQLQIEISA-N 1 2 225.292 -0.040 20 0 BBADLO Cc1ccnc(C[N@H+](CCO)C[C@@H](C)O)n1 ZINC000336670518 386315677 /nfs/dbraw/zinc/31/56/77/386315677.db2.gz RWXJTFVKCHRNBG-SNVBAGLBSA-N 1 2 225.292 -0.040 20 0 BBADLO Cc1ccnc(C[N@@H+](CCO)C[C@@H](C)O)n1 ZINC000336670518 386315671 /nfs/dbraw/zinc/31/56/71/386315671.db2.gz RWXJTFVKCHRNBG-SNVBAGLBSA-N 1 2 225.292 -0.040 20 0 BBADLO Cc1nnc(C[N@H+](C)CC(C)(CO)CO)[nH]1 ZINC000336672040 386304351 /nfs/dbraw/zinc/30/43/51/386304351.db2.gz HHTWHLHERJVXOU-UHFFFAOYSA-N 1 2 228.296 -0.464 20 0 BBADLO Cc1nnc(C[N@@H+](C)CC(C)(CO)CO)[nH]1 ZINC000336672040 386304346 /nfs/dbraw/zinc/30/43/46/386304346.db2.gz HHTWHLHERJVXOU-UHFFFAOYSA-N 1 2 228.296 -0.464 20 0 BBADLO C[N@@H+](CCN1CCNC1=O)Cc1cc[nH]n1 ZINC000336672412 386302641 /nfs/dbraw/zinc/30/26/41/386302641.db2.gz SMNOMGWBIDIANV-UHFFFAOYSA-N 1 2 223.280 -0.133 20 0 BBADLO C[N@H+](CCN1CCNC1=O)Cc1cc[nH]n1 ZINC000336672412 386302638 /nfs/dbraw/zinc/30/26/38/386302638.db2.gz SMNOMGWBIDIANV-UHFFFAOYSA-N 1 2 223.280 -0.133 20 0 BBADLO CN1CC[C@@H]([N@@H+](C)CCCS(C)(=O)=O)C1=O ZINC000336672425 173117460 /nfs/dbraw/zinc/11/74/60/173117460.db2.gz KFQSYBSQUSJQCJ-SECBINFHSA-N 1 2 248.348 -0.416 20 0 BBADLO CN1CC[C@@H]([N@H+](C)CCCS(C)(=O)=O)C1=O ZINC000336672425 173117459 /nfs/dbraw/zinc/11/74/59/173117459.db2.gz KFQSYBSQUSJQCJ-SECBINFHSA-N 1 2 248.348 -0.416 20 0 BBADLO CN1CC[C@H]([N@@H+](C)CCCS(C)(=O)=O)C1=O ZINC000336672463 173148422 /nfs/dbraw/zinc/14/84/22/173148422.db2.gz KFQSYBSQUSJQCJ-VIFPVBQESA-N 1 2 248.348 -0.416 20 0 BBADLO CN1CC[C@H]([N@H+](C)CCCS(C)(=O)=O)C1=O ZINC000336672463 173148420 /nfs/dbraw/zinc/14/84/20/173148420.db2.gz KFQSYBSQUSJQCJ-VIFPVBQESA-N 1 2 248.348 -0.416 20 0 BBADLO O=C1NCC[C@H]1[NH+]1CCN(CC(F)F)CC1 ZINC000336672535 386303354 /nfs/dbraw/zinc/30/33/54/386303354.db2.gz KMVONJXJXMVWMX-MRVPVSSYSA-N 1 2 233.262 -0.242 20 0 BBADLO O=C1NCC[C@@H]1[NH+]1CCN(CC(F)F)CC1 ZINC000336672536 386303574 /nfs/dbraw/zinc/30/35/74/386303574.db2.gz KMVONJXJXMVWMX-QMMMGPOBSA-N 1 2 233.262 -0.242 20 0 BBADLO Cc1cc(NCCc2nc(N)no2)nc[nH+]1 ZINC000336673316 411940002 /nfs/dbraw/zinc/94/00/02/411940002.db2.gz OOTFDMGMICXJQW-UHFFFAOYSA-N 1 2 220.236 -0.173 20 0 BBADLO Cc1nc2[nH]ccc2c(NC[C@@H](O)CO)[nH+]1 ZINC000336674531 411395572 /nfs/dbraw/zinc/39/55/72/411395572.db2.gz BHCNYDIGOLHZPR-SSDOTTSWSA-N 1 2 222.248 0.031 20 0 BBADLO Cc1nc2[nH]ccc2c(NC[C@H](O)CO)[nH+]1 ZINC000336674533 411776806 /nfs/dbraw/zinc/77/68/06/411776806.db2.gz BHCNYDIGOLHZPR-ZETCQYMHSA-N 1 2 222.248 0.031 20 0 BBADLO Cn1nnnc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1O ZINC000336675275 386324467 /nfs/dbraw/zinc/32/44/67/386324467.db2.gz MMANTMKXSXCYKS-BDAKNGLRSA-N 1 2 225.296 -0.055 20 0 BBADLO Cn1nnnc1C[N@H+](C)[C@@H]1CCCC[C@@H]1O ZINC000336675275 386324463 /nfs/dbraw/zinc/32/44/63/386324463.db2.gz MMANTMKXSXCYKS-BDAKNGLRSA-N 1 2 225.296 -0.055 20 0 BBADLO Cn1nnnc1C[N@@H+](C)[C@H]1CCCC[C@H]1O ZINC000336675291 386324606 /nfs/dbraw/zinc/32/46/06/386324606.db2.gz MMANTMKXSXCYKS-DTWKUNHWSA-N 1 2 225.296 -0.055 20 0 BBADLO Cn1nnnc1C[N@H+](C)[C@H]1CCCC[C@H]1O ZINC000336675291 386324599 /nfs/dbraw/zinc/32/45/99/386324599.db2.gz MMANTMKXSXCYKS-DTWKUNHWSA-N 1 2 225.296 -0.055 20 0 BBADLO Cn1nnnc1C[N@@H+](C)[C@H]1CCCC[C@@H]1O ZINC000336675292 386325053 /nfs/dbraw/zinc/32/50/53/386325053.db2.gz MMANTMKXSXCYKS-IUCAKERBSA-N 1 2 225.296 -0.055 20 0 BBADLO Cn1nnnc1C[N@H+](C)[C@H]1CCCC[C@@H]1O ZINC000336675292 386325045 /nfs/dbraw/zinc/32/50/45/386325045.db2.gz MMANTMKXSXCYKS-IUCAKERBSA-N 1 2 225.296 -0.055 20 0 BBADLO Cn1nnnc1C[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000336675293 386325964 /nfs/dbraw/zinc/32/59/64/386325964.db2.gz MMANTMKXSXCYKS-RKDXNWHRSA-N 1 2 225.296 -0.055 20 0 BBADLO Cn1nnnc1C[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000336675293 386325960 /nfs/dbraw/zinc/32/59/60/386325960.db2.gz MMANTMKXSXCYKS-RKDXNWHRSA-N 1 2 225.296 -0.055 20 0 BBADLO Cn1cncc1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000336675978 350879431 /nfs/dbraw/zinc/87/94/31/350879431.db2.gz AKFYIQCGEFOKSM-NEPJUHHUSA-N 1 2 236.319 -0.065 20 0 BBADLO Cn1cncc1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000336675978 350879429 /nfs/dbraw/zinc/87/94/29/350879429.db2.gz AKFYIQCGEFOKSM-NEPJUHHUSA-N 1 2 236.319 -0.065 20 0 BBADLO CN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C)C2=O)C1=O ZINC000336676280 173148086 /nfs/dbraw/zinc/14/80/86/173148086.db2.gz MVTGPCSJLVTICH-DTORHVGOSA-N 1 2 225.292 -0.620 20 0 BBADLO CN1CC[C@@H]([N@H+](C)[C@H]2CCN(C)C2=O)C1=O ZINC000336676280 173148085 /nfs/dbraw/zinc/14/80/85/173148085.db2.gz MVTGPCSJLVTICH-DTORHVGOSA-N 1 2 225.292 -0.620 20 0 BBADLO CN1CC[C@H]([NH+](C)[C@H]2CCN(C)C2=O)C1=O ZINC000336676283 173148412 /nfs/dbraw/zinc/14/84/12/173148412.db2.gz MVTGPCSJLVTICH-IUCAKERBSA-N 1 2 225.292 -0.620 20 0 BBADLO CN1CC[C@@H]([NH+](C)[C@@H]2CCN(C)C2=O)C1=O ZINC000336676285 173119837 /nfs/dbraw/zinc/11/98/37/173119837.db2.gz MVTGPCSJLVTICH-RKDXNWHRSA-N 1 2 225.292 -0.620 20 0 BBADLO COCC[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000336677042 385607530 /nfs/dbraw/zinc/60/75/30/385607530.db2.gz VXAURYAPUGCTAS-SECBINFHSA-N 1 2 227.264 -0.603 20 0 BBADLO COCC[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000336677046 174388580 /nfs/dbraw/zinc/38/85/80/174388580.db2.gz VXAURYAPUGCTAS-VIFPVBQESA-N 1 2 227.264 -0.603 20 0 BBADLO Cc1cnc(C[N@H+](CCO)C[C@H](C)O)nc1 ZINC000336677077 386326956 /nfs/dbraw/zinc/32/69/56/386326956.db2.gz VYBOXQPLYIHZEL-JTQLQIEISA-N 1 2 225.292 -0.040 20 0 BBADLO Cc1cnc(C[N@@H+](CCO)C[C@H](C)O)nc1 ZINC000336677077 386326951 /nfs/dbraw/zinc/32/69/51/386326951.db2.gz VYBOXQPLYIHZEL-JTQLQIEISA-N 1 2 225.292 -0.040 20 0 BBADLO Cc1cnc(C[N@H+](CCO)C[C@@H](C)O)nc1 ZINC000336677080 386327832 /nfs/dbraw/zinc/32/78/32/386327832.db2.gz VYBOXQPLYIHZEL-SNVBAGLBSA-N 1 2 225.292 -0.040 20 0 BBADLO Cc1cnc(C[N@@H+](CCO)C[C@@H](C)O)nc1 ZINC000336677080 386327827 /nfs/dbraw/zinc/32/78/27/386327827.db2.gz VYBOXQPLYIHZEL-SNVBAGLBSA-N 1 2 225.292 -0.040 20 0 BBADLO Cc1nc(NCCc2nc(N)no2)cc[nH+]1 ZINC000336677642 411914665 /nfs/dbraw/zinc/91/46/65/411914665.db2.gz QDYXCGQIQUAAAD-UHFFFAOYSA-N 1 2 220.236 -0.173 20 0 BBADLO C[N@@H+](CCOCCO)Cc1nccc(N)n1 ZINC000336677658 411874522 /nfs/dbraw/zinc/87/45/22/411874522.db2.gz QFZVKNNMXFXEAF-UHFFFAOYSA-N 1 2 226.280 -0.501 20 0 BBADLO C[N@H+](CCOCCO)Cc1nccc(N)n1 ZINC000336677658 411874518 /nfs/dbraw/zinc/87/45/18/411874518.db2.gz QFZVKNNMXFXEAF-UHFFFAOYSA-N 1 2 226.280 -0.501 20 0 BBADLO O=S1(=O)CCCN1CC[NH2+]Cc1cocn1 ZINC000336677767 385612187 /nfs/dbraw/zinc/61/21/87/385612187.db2.gz MJFTULVRJMKSDI-UHFFFAOYSA-N 1 2 245.304 -0.200 20 0 BBADLO NC(=O)c1csc(NCCn2cc[nH+]c2)n1 ZINC000336678032 412295887 /nfs/dbraw/zinc/29/58/87/412295887.db2.gz MLUYOADKEYJGNN-UHFFFAOYSA-N 1 2 237.288 0.551 20 0 BBADLO O=C(CO)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000336679517 385620977 /nfs/dbraw/zinc/62/09/77/385620977.db2.gz NPCRCGIYSJMAKW-JTQLQIEISA-N 1 2 221.260 -0.453 20 0 BBADLO O=C(CO)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000336679518 181986310 /nfs/dbraw/zinc/98/63/10/181986310.db2.gz NPCRCGIYSJMAKW-SNVBAGLBSA-N 1 2 221.260 -0.453 20 0 BBADLO Cn1nnc(CNc2[nH+]cnc(N)c2Cl)n1 ZINC000336680105 412198459 /nfs/dbraw/zinc/19/84/59/412198459.db2.gz RBXCBTLNHYWYDX-UHFFFAOYSA-N 1 2 240.658 -0.152 20 0 BBADLO Cn1nnc(CNc2nc[nH+]c(N)c2Cl)n1 ZINC000336680105 412198454 /nfs/dbraw/zinc/19/84/54/412198454.db2.gz RBXCBTLNHYWYDX-UHFFFAOYSA-N 1 2 240.658 -0.152 20 0 BBADLO COCCOCC[N@@H+](C)Cc1cn(C)nn1 ZINC000336682723 174352111 /nfs/dbraw/zinc/35/21/11/174352111.db2.gz YOTJFJXGVYBDKA-UHFFFAOYSA-N 1 2 228.296 -0.090 20 0 BBADLO COCCOCC[N@H+](C)Cc1cn(C)nn1 ZINC000336682723 174352109 /nfs/dbraw/zinc/35/21/09/174352109.db2.gz YOTJFJXGVYBDKA-UHFFFAOYSA-N 1 2 228.296 -0.090 20 0 BBADLO COC[C@H]1C[N@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000336683050 386342691 /nfs/dbraw/zinc/34/26/91/386342691.db2.gz SCJGTMKGURWJTH-NXEZZACHSA-N 1 2 228.292 -0.388 20 0 BBADLO COC[C@H]1C[N@@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000336683050 386342687 /nfs/dbraw/zinc/34/26/87/386342687.db2.gz SCJGTMKGURWJTH-NXEZZACHSA-N 1 2 228.292 -0.388 20 0 BBADLO COC[C@@H]1C[N@H+]([C@H]2CCCNC2=O)CCO1 ZINC000336683057 386342803 /nfs/dbraw/zinc/34/28/03/386342803.db2.gz SCJGTMKGURWJTH-UWVGGRQHSA-N 1 2 228.292 -0.388 20 0 BBADLO COC[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)CCO1 ZINC000336683057 386342800 /nfs/dbraw/zinc/34/28/00/386342800.db2.gz SCJGTMKGURWJTH-UWVGGRQHSA-N 1 2 228.292 -0.388 20 0 BBADLO COC[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000336683058 386340665 /nfs/dbraw/zinc/34/06/65/386340665.db2.gz SCJGTMKGURWJTH-VHSXEESVSA-N 1 2 228.292 -0.388 20 0 BBADLO COC[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000336683058 386340661 /nfs/dbraw/zinc/34/06/61/386340661.db2.gz SCJGTMKGURWJTH-VHSXEESVSA-N 1 2 228.292 -0.388 20 0 BBADLO COC[C@H]1C[N@H+]([C@H]2CCCNC2=O)CCO1 ZINC000336683059 386342309 /nfs/dbraw/zinc/34/23/09/386342309.db2.gz SCJGTMKGURWJTH-ZJUUUORDSA-N 1 2 228.292 -0.388 20 0 BBADLO COC[C@H]1C[N@@H+]([C@H]2CCCNC2=O)CCO1 ZINC000336683059 386342305 /nfs/dbraw/zinc/34/23/05/386342305.db2.gz SCJGTMKGURWJTH-ZJUUUORDSA-N 1 2 228.292 -0.388 20 0 BBADLO O=C1C[N@@H+](CCOCCO)CCN1C1CC1 ZINC000336683178 386345627 /nfs/dbraw/zinc/34/56/27/386345627.db2.gz SRKXHRLSBDGUJD-UHFFFAOYSA-N 1 2 228.292 -0.698 20 0 BBADLO O=C1C[N@H+](CCOCCO)CCN1C1CC1 ZINC000336683178 386345622 /nfs/dbraw/zinc/34/56/22/386345622.db2.gz SRKXHRLSBDGUJD-UHFFFAOYSA-N 1 2 228.292 -0.698 20 0 BBADLO CN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)S(C)(=O)=O ZINC000336684775 386356575 /nfs/dbraw/zinc/35/65/75/386356575.db2.gz UVQHQKGULPHKRI-AOOOYVTPSA-N 1 2 248.348 -0.259 20 0 BBADLO CN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)S(C)(=O)=O ZINC000336684775 386356568 /nfs/dbraw/zinc/35/65/68/386356568.db2.gz UVQHQKGULPHKRI-AOOOYVTPSA-N 1 2 248.348 -0.259 20 0 BBADLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H](O)C1 ZINC000336685165 182071404 /nfs/dbraw/zinc/07/14/04/182071404.db2.gz KPFDAMFLFHHZCL-SECBINFHSA-N 1 2 209.249 -0.134 20 0 BBADLO Nc1nccnc1C(=O)NCc1c[nH]c[nH+]1 ZINC000336687938 388462658 /nfs/dbraw/zinc/46/26/58/388462658.db2.gz VLVQKTULOGCZME-UHFFFAOYSA-N 1 2 218.220 -0.288 20 0 BBADLO Nc1nccnc1C(=O)NCc1c[nH+]c[nH]1 ZINC000336687938 388462657 /nfs/dbraw/zinc/46/26/57/388462657.db2.gz VLVQKTULOGCZME-UHFFFAOYSA-N 1 2 218.220 -0.288 20 0 BBADLO CCc1cc(N)nc(SC[C@H](O)CO)[nH+]1 ZINC000336689870 411887678 /nfs/dbraw/zinc/88/76/78/411887678.db2.gz MGXHRYKWBIEWLD-SSDOTTSWSA-N 1 2 229.305 0.067 20 0 BBADLO CCc1cc(N)nc(SC[C@@H](O)CO)[nH+]1 ZINC000336689876 411887693 /nfs/dbraw/zinc/88/76/93/411887693.db2.gz MGXHRYKWBIEWLD-ZETCQYMHSA-N 1 2 229.305 0.067 20 0 BBADLO C[C@H]1C[N@@H+](CCN2CCCS2(=O)=O)CCO1 ZINC000336691778 177250526 /nfs/dbraw/zinc/25/05/26/177250526.db2.gz CGCKEZRYOFCZIM-JTQLQIEISA-N 1 2 248.348 -0.257 20 0 BBADLO C[C@H]1C[N@H+](CCN2CCCS2(=O)=O)CCO1 ZINC000336691778 177250524 /nfs/dbraw/zinc/25/05/24/177250524.db2.gz CGCKEZRYOFCZIM-JTQLQIEISA-N 1 2 248.348 -0.257 20 0 BBADLO C[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)CCO1 ZINC000336691779 176291229 /nfs/dbraw/zinc/29/12/29/176291229.db2.gz CGCKEZRYOFCZIM-SNVBAGLBSA-N 1 2 248.348 -0.257 20 0 BBADLO C[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)CCO1 ZINC000336691779 176291228 /nfs/dbraw/zinc/29/12/28/176291228.db2.gz CGCKEZRYOFCZIM-SNVBAGLBSA-N 1 2 248.348 -0.257 20 0 BBADLO C[N@@H+](CCN1C(=O)CNC1=O)Cc1ccon1 ZINC000336692841 386366549 /nfs/dbraw/zinc/36/65/49/386366549.db2.gz IVHOBUILMZVQFC-UHFFFAOYSA-N 1 2 238.247 -0.342 20 0 BBADLO C[N@H+](CCN1C(=O)CNC1=O)Cc1ccon1 ZINC000336692841 386366546 /nfs/dbraw/zinc/36/65/46/386366546.db2.gz IVHOBUILMZVQFC-UHFFFAOYSA-N 1 2 238.247 -0.342 20 0 BBADLO Cn1ncnc1C[NH2+][C@@H](C(N)=O)C(C)(C)C ZINC000336693915 388463969 /nfs/dbraw/zinc/46/39/69/388463969.db2.gz YELKWWAHSLHASQ-QMMMGPOBSA-N 1 2 225.296 -0.195 20 0 BBADLO Cn1ccnc1CN1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000336694301 386833195 /nfs/dbraw/zinc/83/31/95/386833195.db2.gz IZRQKMXHTASBGD-MNOVXSKESA-N 1 2 236.319 -0.065 20 0 BBADLO Cn1ccnc1CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000336694301 386833187 /nfs/dbraw/zinc/83/31/87/386833187.db2.gz IZRQKMXHTASBGD-MNOVXSKESA-N 1 2 236.319 -0.065 20 0 BBADLO CC(C)[C@H](O)C[N@@H+](C)Cc1nnnn1C ZINC000336694526 187321381 /nfs/dbraw/zinc/32/13/81/187321381.db2.gz FBAWOIQQMSPMIG-MRVPVSSYSA-N 1 2 213.285 -0.341 20 0 BBADLO CC(C)[C@H](O)C[N@H+](C)Cc1nnnn1C ZINC000336694526 187321379 /nfs/dbraw/zinc/32/13/79/187321379.db2.gz FBAWOIQQMSPMIG-MRVPVSSYSA-N 1 2 213.285 -0.341 20 0 BBADLO CC(C)[C@@H](O)C[N@@H+](C)Cc1nnnn1C ZINC000336694533 386362834 /nfs/dbraw/zinc/36/28/34/386362834.db2.gz FBAWOIQQMSPMIG-QMMMGPOBSA-N 1 2 213.285 -0.341 20 0 BBADLO CC(C)[C@@H](O)C[N@H+](C)Cc1nnnn1C ZINC000336694533 386362829 /nfs/dbraw/zinc/36/28/29/386362829.db2.gz FBAWOIQQMSPMIG-QMMMGPOBSA-N 1 2 213.285 -0.341 20 0 BBADLO CC1(C[NH+]2CCN(S(C)(=O)=O)CC2)COC1 ZINC000336694921 168023305 /nfs/dbraw/zinc/02/33/05/168023305.db2.gz FECCPKMCWZWKLX-UHFFFAOYSA-N 1 2 248.348 -0.400 20 0 BBADLO Cn1cc(CC[N@@H+](C)Cc2nnnn2C)cn1 ZINC000336695939 386375085 /nfs/dbraw/zinc/37/50/85/386375085.db2.gz JQRVIMDXXZVTRP-UHFFFAOYSA-N 1 2 235.295 -0.382 20 0 BBADLO Cn1cc(CC[N@H+](C)Cc2nnnn2C)cn1 ZINC000336695939 386375083 /nfs/dbraw/zinc/37/50/83/386375083.db2.gz JQRVIMDXXZVTRP-UHFFFAOYSA-N 1 2 235.295 -0.382 20 0 BBADLO Nc1nc[nH+]c(NCC2(CO)COC2)c1Cl ZINC000336697480 412303482 /nfs/dbraw/zinc/30/34/82/412303482.db2.gz ZEVPGGSERFPHNO-UHFFFAOYSA-N 1 2 244.682 0.133 20 0 BBADLO Nc1[nH+]cnc(NCC2(CO)COC2)c1Cl ZINC000336697480 412303480 /nfs/dbraw/zinc/30/34/80/412303480.db2.gz ZEVPGGSERFPHNO-UHFFFAOYSA-N 1 2 244.682 0.133 20 0 BBADLO Cc1nnc(CN(C)CC[NH+]2CCOCC2)[nH]1 ZINC000336698947 386384589 /nfs/dbraw/zinc/38/45/89/386384589.db2.gz KTILUWNRSUXWDG-UHFFFAOYSA-N 1 2 239.323 -0.123 20 0 BBADLO CC(C)OC[C@H](O)C[N@@H+](C)Cc1nnnn1C ZINC000336700140 167268515 /nfs/dbraw/zinc/26/85/15/167268515.db2.gz LAEDUIYDGGRORC-SECBINFHSA-N 1 2 243.311 -0.572 20 0 BBADLO CC(C)OC[C@H](O)C[N@H+](C)Cc1nnnn1C ZINC000336700140 167268514 /nfs/dbraw/zinc/26/85/14/167268514.db2.gz LAEDUIYDGGRORC-SECBINFHSA-N 1 2 243.311 -0.572 20 0 BBADLO CC(C)OC[C@@H](O)C[N@@H+](C)Cc1nnnn1C ZINC000336700208 167258300 /nfs/dbraw/zinc/25/83/00/167258300.db2.gz LAEDUIYDGGRORC-VIFPVBQESA-N 1 2 243.311 -0.572 20 0 BBADLO CC(C)OC[C@@H](O)C[N@H+](C)Cc1nnnn1C ZINC000336700208 167258296 /nfs/dbraw/zinc/25/82/96/167258296.db2.gz LAEDUIYDGGRORC-VIFPVBQESA-N 1 2 243.311 -0.572 20 0 BBADLO CN(CC[NH+]1CCOCC1)Cc1cn(C)nn1 ZINC000336700868 386402281 /nfs/dbraw/zinc/40/22/81/386402281.db2.gz FUXOPLDXGJSEFW-UHFFFAOYSA-N 1 2 239.323 -0.421 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCN1CCCS1(=O)=O ZINC000336701945 176336511 /nfs/dbraw/zinc/33/65/11/176336511.db2.gz MMZSHCGXKYEXLT-SNVBAGLBSA-N 1 2 248.348 -0.257 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCN1CCCS1(=O)=O ZINC000336701945 176336510 /nfs/dbraw/zinc/33/65/10/176336510.db2.gz MMZSHCGXKYEXLT-SNVBAGLBSA-N 1 2 248.348 -0.257 20 0 BBADLO COC1C[NH+](C[C@H](O)COC2CCOCC2)C1 ZINC000336702681 174035746 /nfs/dbraw/zinc/03/57/46/174035746.db2.gz AJGANNBGDJQJTA-JTQLQIEISA-N 1 2 245.319 -0.127 20 0 BBADLO COC1C[NH+](C[C@@H](O)COC2CCOCC2)C1 ZINC000336702751 174035676 /nfs/dbraw/zinc/03/56/76/174035676.db2.gz AJGANNBGDJQJTA-SNVBAGLBSA-N 1 2 245.319 -0.127 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1CCN1CCOCC1 ZINC000336703857 177059753 /nfs/dbraw/zinc/05/97/53/177059753.db2.gz OUOKCZMGZKJGII-JTQLQIEISA-N 1 2 227.308 -0.861 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1CCN1CCOCC1 ZINC000336703857 177059752 /nfs/dbraw/zinc/05/97/52/177059752.db2.gz OUOKCZMGZKJGII-JTQLQIEISA-N 1 2 227.308 -0.861 20 0 BBADLO C[C@H]1C(=O)NCCN1CC[NH+]1CCOCC1 ZINC000336703857 177059751 /nfs/dbraw/zinc/05/97/51/177059751.db2.gz OUOKCZMGZKJGII-JTQLQIEISA-N 1 2 227.308 -0.861 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1CCN1CCOCC1 ZINC000336703875 176046486 /nfs/dbraw/zinc/04/64/86/176046486.db2.gz OUOKCZMGZKJGII-SNVBAGLBSA-N 1 2 227.308 -0.861 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1CCN1CCOCC1 ZINC000336703875 176046484 /nfs/dbraw/zinc/04/64/84/176046484.db2.gz OUOKCZMGZKJGII-SNVBAGLBSA-N 1 2 227.308 -0.861 20 0 BBADLO C[C@@H]1C(=O)NCCN1CC[NH+]1CCOCC1 ZINC000336703875 176046482 /nfs/dbraw/zinc/04/64/82/176046482.db2.gz OUOKCZMGZKJGII-SNVBAGLBSA-N 1 2 227.308 -0.861 20 0 BBADLO C[C@@H](O)CCC[N@@H+](C)Cc1nnnn1C ZINC000336704247 386392015 /nfs/dbraw/zinc/39/20/15/386392015.db2.gz QNVRXRQFMZSQSI-MRVPVSSYSA-N 1 2 213.285 -0.197 20 0 BBADLO C[C@@H](O)CCC[N@H+](C)Cc1nnnn1C ZINC000336704247 386392011 /nfs/dbraw/zinc/39/20/11/386392011.db2.gz QNVRXRQFMZSQSI-MRVPVSSYSA-N 1 2 213.285 -0.197 20 0 BBADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CCn1cncn1 ZINC000336704255 176347622 /nfs/dbraw/zinc/34/76/22/176347622.db2.gz PTTNNOJHQDQMPB-NXEZZACHSA-N 1 2 226.280 -0.640 20 0 BBADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCn1cncn1 ZINC000336704255 176347620 /nfs/dbraw/zinc/34/76/20/176347620.db2.gz PTTNNOJHQDQMPB-NXEZZACHSA-N 1 2 226.280 -0.640 20 0 BBADLO C[C@H]1CO[C@H](CO)C[N@H+]1CCn1cncn1 ZINC000336704257 177301727 /nfs/dbraw/zinc/30/17/27/177301727.db2.gz PTTNNOJHQDQMPB-UWVGGRQHSA-N 1 2 226.280 -0.640 20 0 BBADLO C[C@H]1CO[C@H](CO)C[N@@H+]1CCn1cncn1 ZINC000336704257 177301726 /nfs/dbraw/zinc/30/17/26/177301726.db2.gz PTTNNOJHQDQMPB-UWVGGRQHSA-N 1 2 226.280 -0.640 20 0 BBADLO C[C@H]1CO[C@@H](CO)C[N@H+]1CCn1cncn1 ZINC000336704261 177300510 /nfs/dbraw/zinc/30/05/10/177300510.db2.gz PTTNNOJHQDQMPB-VHSXEESVSA-N 1 2 226.280 -0.640 20 0 BBADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CCn1cncn1 ZINC000336704261 177300509 /nfs/dbraw/zinc/30/05/09/177300509.db2.gz PTTNNOJHQDQMPB-VHSXEESVSA-N 1 2 226.280 -0.640 20 0 BBADLO C[C@H](O)CCC[N@@H+](C)Cc1nnnn1C ZINC000336704263 386392209 /nfs/dbraw/zinc/39/22/09/386392209.db2.gz QNVRXRQFMZSQSI-QMMMGPOBSA-N 1 2 213.285 -0.197 20 0 BBADLO C[C@H](O)CCC[N@H+](C)Cc1nnnn1C ZINC000336704263 386392205 /nfs/dbraw/zinc/39/22/05/386392205.db2.gz QNVRXRQFMZSQSI-QMMMGPOBSA-N 1 2 213.285 -0.197 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@H+]1CCn1cncn1 ZINC000336704268 385784059 /nfs/dbraw/zinc/78/40/59/385784059.db2.gz PTTNNOJHQDQMPB-ZJUUUORDSA-N 1 2 226.280 -0.640 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CCn1cncn1 ZINC000336704268 385784052 /nfs/dbraw/zinc/78/40/52/385784052.db2.gz PTTNNOJHQDQMPB-ZJUUUORDSA-N 1 2 226.280 -0.640 20 0 BBADLO Cn1cc(S(=O)(=O)NCC[NH+]2CCC2)cn1 ZINC000336709311 180663508 /nfs/dbraw/zinc/66/35/08/180663508.db2.gz WQDSUZWCLHPMKQ-UHFFFAOYSA-N 1 2 244.320 -0.596 20 0 BBADLO C[N@@H+](CCN1C(=O)CCC1=O)Cc1cc[nH]n1 ZINC000336709929 386421528 /nfs/dbraw/zinc/42/15/28/386421528.db2.gz QGGPOSHBLGKAPM-UHFFFAOYSA-N 1 2 236.275 -0.010 20 0 BBADLO C[N@H+](CCN1C(=O)CCC1=O)Cc1cc[nH]n1 ZINC000336709929 386421523 /nfs/dbraw/zinc/42/15/23/386421523.db2.gz QGGPOSHBLGKAPM-UHFFFAOYSA-N 1 2 236.275 -0.010 20 0 BBADLO O=C1NCC[C@H]1[N@@H+](CCO)Cc1cccnc1 ZINC000336710254 386425606 /nfs/dbraw/zinc/42/56/06/386425606.db2.gz QLQUYLCEXFIQHQ-LLVKDONJSA-N 1 2 235.287 -0.236 20 0 BBADLO O=C1NCC[C@H]1[N@H+](CCO)Cc1cccnc1 ZINC000336710254 386425601 /nfs/dbraw/zinc/42/56/01/386425601.db2.gz QLQUYLCEXFIQHQ-LLVKDONJSA-N 1 2 235.287 -0.236 20 0 BBADLO O=C1NCC[C@@H]1[N@@H+](CCO)Cc1cccnc1 ZINC000336710297 386425484 /nfs/dbraw/zinc/42/54/84/386425484.db2.gz QLQUYLCEXFIQHQ-NSHDSACASA-N 1 2 235.287 -0.236 20 0 BBADLO O=C1NCC[C@@H]1[N@H+](CCO)Cc1cccnc1 ZINC000336710297 386425479 /nfs/dbraw/zinc/42/54/79/386425479.db2.gz QLQUYLCEXFIQHQ-NSHDSACASA-N 1 2 235.287 -0.236 20 0 BBADLO COCC[NH+]1CCN(Cc2n[nH]c(C)n2)CC1 ZINC000336710429 174310879 /nfs/dbraw/zinc/31/08/79/174310879.db2.gz KZVOPJVUVCBHFF-UHFFFAOYSA-N 1 2 239.323 -0.123 20 0 BBADLO CN(CCn1cc[nH+]c1)Cc1nnnn1C ZINC000336710510 386424175 /nfs/dbraw/zinc/42/41/75/386424175.db2.gz ZJNFGHAKHAVCEJ-UHFFFAOYSA-N 1 2 221.268 -0.461 20 0 BBADLO C[C@@H]1C[N@@H+](CCS(=O)(=O)N(C)C)CCO1 ZINC000336710675 176292452 /nfs/dbraw/zinc/29/24/52/176292452.db2.gz UBBDDJXMRRNZNE-SECBINFHSA-N 1 2 236.337 -0.402 20 0 BBADLO C[C@@H]1C[N@H+](CCS(=O)(=O)N(C)C)CCO1 ZINC000336710675 176292450 /nfs/dbraw/zinc/29/24/50/176292450.db2.gz UBBDDJXMRRNZNE-SECBINFHSA-N 1 2 236.337 -0.402 20 0 BBADLO C[C@H]1C[N@@H+](CCS(=O)(=O)N(C)C)CCO1 ZINC000336710681 177252428 /nfs/dbraw/zinc/25/24/28/177252428.db2.gz UBBDDJXMRRNZNE-VIFPVBQESA-N 1 2 236.337 -0.402 20 0 BBADLO C[C@H]1C[N@H+](CCS(=O)(=O)N(C)C)CCO1 ZINC000336710681 177252427 /nfs/dbraw/zinc/25/24/27/177252427.db2.gz UBBDDJXMRRNZNE-VIFPVBQESA-N 1 2 236.337 -0.402 20 0 BBADLO CCOC[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC000336710897 388466614 /nfs/dbraw/zinc/46/66/14/388466614.db2.gz NEKPEPYYGNQBAF-JTQLQIEISA-N 1 2 241.291 -0.213 20 0 BBADLO CCOC[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC000336710898 388466487 /nfs/dbraw/zinc/46/64/87/388466487.db2.gz NEKPEPYYGNQBAF-SNVBAGLBSA-N 1 2 241.291 -0.213 20 0 BBADLO COCCN1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000336711569 174309568 /nfs/dbraw/zinc/30/95/68/174309568.db2.gz RHZHIDNOLAGNLH-LLVKDONJSA-N 1 2 241.335 -0.471 20 0 BBADLO COCCN1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000336711570 174310700 /nfs/dbraw/zinc/31/07/00/174310700.db2.gz RHZHIDNOLAGNLH-NSHDSACASA-N 1 2 241.335 -0.471 20 0 BBADLO C[N@@H+](CCN1C(=O)CNC1=O)Cc1cc[nH]n1 ZINC000336713384 386430339 /nfs/dbraw/zinc/43/03/39/386430339.db2.gz SJVQUDAIGQZLOR-UHFFFAOYSA-N 1 2 237.263 -0.607 20 0 BBADLO C[N@H+](CCN1C(=O)CNC1=O)Cc1cc[nH]n1 ZINC000336713384 386430333 /nfs/dbraw/zinc/43/03/33/386430333.db2.gz SJVQUDAIGQZLOR-UHFFFAOYSA-N 1 2 237.263 -0.607 20 0 BBADLO Cn1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)n1 ZINC000336715892 188359669 /nfs/dbraw/zinc/35/96/69/188359669.db2.gz VOLPTFUUCVQKRB-NEPJUHHUSA-N 1 2 236.319 -0.065 20 0 BBADLO Cn1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)n1 ZINC000336715892 188359668 /nfs/dbraw/zinc/35/96/68/188359668.db2.gz VOLPTFUUCVQKRB-NEPJUHHUSA-N 1 2 236.319 -0.065 20 0 BBADLO Cn1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)n1 ZINC000336715892 188359666 /nfs/dbraw/zinc/35/96/66/188359666.db2.gz VOLPTFUUCVQKRB-NEPJUHHUSA-N 1 2 236.319 -0.065 20 0 BBADLO Cn1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)n1 ZINC000336715892 188359664 /nfs/dbraw/zinc/35/96/64/188359664.db2.gz VOLPTFUUCVQKRB-NEPJUHHUSA-N 1 2 236.319 -0.065 20 0 BBADLO Cc1nc(C)n(C[C@H](O)C[NH+]2CCOCC2)n1 ZINC000336716204 388468188 /nfs/dbraw/zinc/46/81/88/388468188.db2.gz VXOGLJCILYBREL-LLVKDONJSA-N 1 2 240.307 -0.412 20 0 BBADLO Cc1nc(C)n(C[C@@H](O)C[NH+]2CCOCC2)n1 ZINC000336716208 388468170 /nfs/dbraw/zinc/46/81/70/388468170.db2.gz VXOGLJCILYBREL-NSHDSACASA-N 1 2 240.307 -0.412 20 0 BBADLO CC[C@@H](C)[N@@H+](CCO)Cc1nnn(C)n1 ZINC000336716845 388467629 /nfs/dbraw/zinc/46/76/29/388467629.db2.gz XNRJIDOGPBNKEK-MRVPVSSYSA-N 1 2 213.285 -0.197 20 0 BBADLO CC[C@@H](C)[N@H+](CCO)Cc1nnn(C)n1 ZINC000336716845 388467627 /nfs/dbraw/zinc/46/76/27/388467627.db2.gz XNRJIDOGPBNKEK-MRVPVSSYSA-N 1 2 213.285 -0.197 20 0 BBADLO CC[C@H](C)[N@@H+](CCO)Cc1nnn(C)n1 ZINC000336716846 171315948 /nfs/dbraw/zinc/31/59/48/171315948.db2.gz XNRJIDOGPBNKEK-QMMMGPOBSA-N 1 2 213.285 -0.197 20 0 BBADLO CC[C@H](C)[N@H+](CCO)Cc1nnn(C)n1 ZINC000336716846 171315946 /nfs/dbraw/zinc/31/59/46/171315946.db2.gz XNRJIDOGPBNKEK-QMMMGPOBSA-N 1 2 213.285 -0.197 20 0 BBADLO Cc1nc(NCc2nnc(N)o2)cc[nH+]1 ZINC000336717707 411914776 /nfs/dbraw/zinc/91/47/76/411914776.db2.gz YFIFXYRIFFGDQR-UHFFFAOYSA-N 1 2 206.209 -0.216 20 0 BBADLO COC[C@H]1C[N@@H+](CCN2CCCC2=O)CCO1 ZINC000336718102 386441667 /nfs/dbraw/zinc/44/16/67/386441667.db2.gz WUFSIGHXKOWKQD-LLVKDONJSA-N 1 2 242.319 -0.044 20 0 BBADLO COC[C@H]1C[N@H+](CCN2CCCC2=O)CCO1 ZINC000336718102 386441660 /nfs/dbraw/zinc/44/16/60/386441660.db2.gz WUFSIGHXKOWKQD-LLVKDONJSA-N 1 2 242.319 -0.044 20 0 BBADLO COC[C@@H]1C[N@@H+](CCN2CCCC2=O)CCO1 ZINC000336718104 386441479 /nfs/dbraw/zinc/44/14/79/386441479.db2.gz WUFSIGHXKOWKQD-NSHDSACASA-N 1 2 242.319 -0.044 20 0 BBADLO COC[C@@H]1C[N@H+](CCN2CCCC2=O)CCO1 ZINC000336718104 386441476 /nfs/dbraw/zinc/44/14/76/386441476.db2.gz WUFSIGHXKOWKQD-NSHDSACASA-N 1 2 242.319 -0.044 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCS(=O)(=O)N(C)C ZINC000336718476 176336016 /nfs/dbraw/zinc/33/60/16/176336016.db2.gz YMVIDUCETJHHQR-SECBINFHSA-N 1 2 236.337 -0.402 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCS(=O)(=O)N(C)C ZINC000336718476 176336015 /nfs/dbraw/zinc/33/60/15/176336015.db2.gz YMVIDUCETJHHQR-SECBINFHSA-N 1 2 236.337 -0.402 20 0 BBADLO C[C@H]1COCC[N@H+]1CCS(=O)(=O)N(C)C ZINC000336718478 177292903 /nfs/dbraw/zinc/29/29/03/177292903.db2.gz YMVIDUCETJHHQR-VIFPVBQESA-N 1 2 236.337 -0.402 20 0 BBADLO C[C@H]1COCC[N@@H+]1CCS(=O)(=O)N(C)C ZINC000336718478 177292902 /nfs/dbraw/zinc/29/29/02/177292902.db2.gz YMVIDUCETJHHQR-VIFPVBQESA-N 1 2 236.337 -0.402 20 0 BBADLO CC1(C)[C@@H](O)CC[N@H+]1Cc1nc(N)nc(N)n1 ZINC000336720599 168000384 /nfs/dbraw/zinc/00/03/84/168000384.db2.gz SFDYEXWYZIUNKM-LURJTMIESA-N 1 2 238.295 -0.958 20 0 BBADLO CC1(C)[C@@H](O)CC[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000336720599 168000381 /nfs/dbraw/zinc/00/03/81/168000381.db2.gz SFDYEXWYZIUNKM-LURJTMIESA-N 1 2 238.295 -0.958 20 0 BBADLO CC1(C)[C@H](O)CC[N@H+]1Cc1nc(N)nc(N)n1 ZINC000336720601 168007135 /nfs/dbraw/zinc/00/71/35/168007135.db2.gz SFDYEXWYZIUNKM-ZCFIWIBFSA-N 1 2 238.295 -0.958 20 0 BBADLO CC1(C)[C@H](O)CC[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000336720601 168007133 /nfs/dbraw/zinc/00/71/33/168007133.db2.gz SFDYEXWYZIUNKM-ZCFIWIBFSA-N 1 2 238.295 -0.958 20 0 BBADLO COC[C@H]1CN(CC[NH+]2CCOCC2)CCO1 ZINC000336721498 386454309 /nfs/dbraw/zinc/45/43/09/386454309.db2.gz ZELFLUVOJNEPLN-GFCCVEGCSA-N 1 2 244.335 -0.334 20 0 BBADLO COC[C@@H]1CN(CC[NH+]2CCOCC2)CCO1 ZINC000336721501 386455069 /nfs/dbraw/zinc/45/50/69/386455069.db2.gz ZELFLUVOJNEPLN-LBPRGKRZSA-N 1 2 244.335 -0.334 20 0 BBADLO COC(=O)[C@H]([NH2+][C@H](C)[C@H]1CCOC1)[C@@H](C)O ZINC000336722109 386150510 /nfs/dbraw/zinc/15/05/10/386150510.db2.gz AJFSZOQDVWAKMJ-DOLQZWNJSA-N 1 2 231.292 -0.077 20 0 BBADLO COC(=O)[C@H]([NH2+][C@H](C)[C@@H]1CCOC1)[C@H](C)O ZINC000336722135 173806105 /nfs/dbraw/zinc/80/61/05/173806105.db2.gz AJFSZOQDVWAKMJ-UTINFBMNSA-N 1 2 231.292 -0.077 20 0 BBADLO COC(=O)[C@H]([NH2+][C@H](C)[C@H]1CCOC1)[C@H](C)O ZINC000336722149 385481095 /nfs/dbraw/zinc/48/10/95/385481095.db2.gz AJFSZOQDVWAKMJ-XFWSIPNHSA-N 1 2 231.292 -0.077 20 0 BBADLO COC(=O)[C@H]([NH2+][C@H](C)[C@@H]1CCOC1)[C@@H](C)O ZINC000336722160 386151184 /nfs/dbraw/zinc/15/11/84/386151184.db2.gz AJFSZOQDVWAKMJ-ZYUZMQFOSA-N 1 2 231.292 -0.077 20 0 BBADLO COC(=O)[C@@H](CNc1cc(C)[nH+]cn1)OC ZINC000336722202 412335677 /nfs/dbraw/zinc/33/56/77/412335677.db2.gz AJOYEXCPJMCMGQ-MRVPVSSYSA-N 1 2 225.248 0.385 20 0 BBADLO COC(=O)[C@H](CNc1cc(C)[nH+]cn1)OC ZINC000336722214 412336545 /nfs/dbraw/zinc/33/65/45/412336545.db2.gz AJOYEXCPJMCMGQ-QMMMGPOBSA-N 1 2 225.248 0.385 20 0 BBADLO CC1(C)C[N@H+]([C@@H]2CCCNC2=O)C[C@H](CO)O1 ZINC000336725177 350482526 /nfs/dbraw/zinc/48/25/26/350482526.db2.gz PTQJVYRFRCVLOG-NXEZZACHSA-N 1 2 242.319 -0.263 20 0 BBADLO CC1(C)C[N@@H+]([C@@H]2CCCNC2=O)C[C@H](CO)O1 ZINC000336725177 350482522 /nfs/dbraw/zinc/48/25/22/350482522.db2.gz PTQJVYRFRCVLOG-NXEZZACHSA-N 1 2 242.319 -0.263 20 0 BBADLO CC1(C)C[N@H+]([C@H]2CCCNC2=O)C[C@@H](CO)O1 ZINC000336725188 350482410 /nfs/dbraw/zinc/48/24/10/350482410.db2.gz PTQJVYRFRCVLOG-UWVGGRQHSA-N 1 2 242.319 -0.263 20 0 BBADLO CC1(C)C[N@@H+]([C@H]2CCCNC2=O)C[C@@H](CO)O1 ZINC000336725188 350482406 /nfs/dbraw/zinc/48/24/06/350482406.db2.gz PTQJVYRFRCVLOG-UWVGGRQHSA-N 1 2 242.319 -0.263 20 0 BBADLO CC1(C)C[N@H+]([C@@H]2CCCNC2=O)C[C@@H](CO)O1 ZINC000336725190 350482224 /nfs/dbraw/zinc/48/22/24/350482224.db2.gz PTQJVYRFRCVLOG-VHSXEESVSA-N 1 2 242.319 -0.263 20 0 BBADLO CC1(C)C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H](CO)O1 ZINC000336725190 350482221 /nfs/dbraw/zinc/48/22/21/350482221.db2.gz PTQJVYRFRCVLOG-VHSXEESVSA-N 1 2 242.319 -0.263 20 0 BBADLO CC1(C)C[N@H+]([C@H]2CCCNC2=O)C[C@H](CO)O1 ZINC000336725191 350482157 /nfs/dbraw/zinc/48/21/57/350482157.db2.gz PTQJVYRFRCVLOG-ZJUUUORDSA-N 1 2 242.319 -0.263 20 0 BBADLO CC1(C)C[N@@H+]([C@H]2CCCNC2=O)C[C@H](CO)O1 ZINC000336725191 350482153 /nfs/dbraw/zinc/48/21/53/350482153.db2.gz PTQJVYRFRCVLOG-ZJUUUORDSA-N 1 2 242.319 -0.263 20 0 BBADLO Cc1c[nH+]c(CNCCNS(C)(=O)=O)n1C ZINC000336727885 386038065 /nfs/dbraw/zinc/03/80/65/386038065.db2.gz GYIFNLPYCNAIKY-UHFFFAOYSA-N 1 2 246.336 -0.633 20 0 BBADLO Cc1c[nH+]c(CN[C@@]2(CO)CCOC2)n1C ZINC000336728415 386072388 /nfs/dbraw/zinc/07/23/88/386072388.db2.gz HDXWXVZUAQDXTD-LLVKDONJSA-N 1 2 225.292 -0.030 20 0 BBADLO Cc1c[nH+]c(CN[C@]2(CO)CCOC2)n1C ZINC000336728417 386073040 /nfs/dbraw/zinc/07/30/40/386073040.db2.gz HDXWXVZUAQDXTD-NSHDSACASA-N 1 2 225.292 -0.030 20 0 BBADLO C[N@@H+](CCN1CCNC1=O)Cc1cnccn1 ZINC000336728794 398135965 /nfs/dbraw/zinc/13/59/65/398135965.db2.gz WYPSQFXYYXZOHX-UHFFFAOYSA-N 1 2 235.291 -0.066 20 0 BBADLO C[N@H+](CCN1CCNC1=O)Cc1cnccn1 ZINC000336728794 398135960 /nfs/dbraw/zinc/13/59/60/398135960.db2.gz WYPSQFXYYXZOHX-UHFFFAOYSA-N 1 2 235.291 -0.066 20 0 BBADLO CC[C@@](C)([NH2+]Cc1nnc(C)[nH]1)C(N)=O ZINC000336728799 171176309 /nfs/dbraw/zinc/17/63/09/171176309.db2.gz IMBMUDLGLTYZAV-SECBINFHSA-N 1 2 211.269 -0.143 20 0 BBADLO CC[C@](C)([NH2+]Cc1nnc(C)[nH]1)C(N)=O ZINC000336728800 386085361 /nfs/dbraw/zinc/08/53/61/386085361.db2.gz IMBMUDLGLTYZAV-VIFPVBQESA-N 1 2 211.269 -0.143 20 0 BBADLO Cn1cccc1C[NH2+]Cc1nnn(C)n1 ZINC000336730165 386176248 /nfs/dbraw/zinc/17/62/48/386176248.db2.gz JUEQCYCEAUVISS-UHFFFAOYSA-N 1 2 206.253 -0.162 20 0 BBADLO COC[C@@H]1C[N@@H+](CCN2CCNC2=O)CCO1 ZINC000336731980 386471467 /nfs/dbraw/zinc/47/14/67/386471467.db2.gz YZNBZWVGSJSMLX-JTQLQIEISA-N 1 2 243.307 -0.641 20 0 BBADLO COC[C@@H]1C[N@H+](CCN2CCNC2=O)CCO1 ZINC000336731980 386471460 /nfs/dbraw/zinc/47/14/60/386471460.db2.gz YZNBZWVGSJSMLX-JTQLQIEISA-N 1 2 243.307 -0.641 20 0 BBADLO COC[C@H]1C[N@@H+](CCN2CCNC2=O)CCO1 ZINC000336731982 386470092 /nfs/dbraw/zinc/47/00/92/386470092.db2.gz YZNBZWVGSJSMLX-SNVBAGLBSA-N 1 2 243.307 -0.641 20 0 BBADLO COC[C@H]1C[N@H+](CCN2CCNC2=O)CCO1 ZINC000336731982 386470086 /nfs/dbraw/zinc/47/00/86/386470086.db2.gz YZNBZWVGSJSMLX-SNVBAGLBSA-N 1 2 243.307 -0.641 20 0 BBADLO O=C(C[NH2+]Cc1ncc[nH]1)NCC(F)F ZINC000336732150 386381924 /nfs/dbraw/zinc/38/19/24/386381924.db2.gz LHLSFGBHQMSMLX-UHFFFAOYSA-N 1 2 218.207 -0.119 20 0 BBADLO Cc1[nH]ncc1C[NH2+][C@]1(CO)CCOC1 ZINC000336733454 386543245 /nfs/dbraw/zinc/54/32/45/386543245.db2.gz MKQIIJRBJKPAAW-JTQLQIEISA-N 1 2 211.265 -0.041 20 0 BBADLO Cc1[nH]ncc1C[NH2+][C@@]1(CO)CCOC1 ZINC000336733455 386541398 /nfs/dbraw/zinc/54/13/98/386541398.db2.gz MKQIIJRBJKPAAW-SNVBAGLBSA-N 1 2 211.265 -0.041 20 0 BBADLO O=C1CCC(=O)N1CC[N@H+]1CCc2n[nH]cc2C1 ZINC000336734889 386473125 /nfs/dbraw/zinc/47/31/25/386473125.db2.gz WODUBNPKBQUWDU-UHFFFAOYSA-N 1 2 248.286 -0.083 20 0 BBADLO O=C1CCC(=O)N1CC[N@@H+]1CCc2n[nH]cc2C1 ZINC000336734889 386473120 /nfs/dbraw/zinc/47/31/20/386473120.db2.gz WODUBNPKBQUWDU-UHFFFAOYSA-N 1 2 248.286 -0.083 20 0 BBADLO CC(C)c1nc(N[C@H](CO)C(N)=O)cc[nH+]1 ZINC000336735532 412324019 /nfs/dbraw/zinc/32/40/19/412324019.db2.gz IAFUEMPCFWIDQK-SSDOTTSWSA-N 1 2 224.264 -0.142 20 0 BBADLO Cc1nc(NCC2(CO)COC2)cc[nH+]1 ZINC000336735823 411165335 /nfs/dbraw/zinc/16/53/35/411165335.db2.gz OOEAMNVHWQKBQX-UHFFFAOYSA-N 1 2 209.249 0.206 20 0 BBADLO Cc1cc(NCc2cnnn2C)nc[nH+]1 ZINC000336736309 411655297 /nfs/dbraw/zinc/65/52/97/411655297.db2.gz PHGWNVFTGKZINE-UHFFFAOYSA-N 1 2 204.237 0.526 20 0 BBADLO Cc1nc(NCCF)nc(NCCF)[nH+]1 ZINC000336739935 385777725 /nfs/dbraw/zinc/77/77/25/385777725.db2.gz SZRZSHIHADPTSC-UHFFFAOYSA-N 1 2 217.223 -0.213 20 0 BBADLO CC[C@@](C)([NH2+]C[C@H](O)COC)C(=O)OC ZINC000336741026 171175285 /nfs/dbraw/zinc/17/52/85/171175285.db2.gz VDVCYYYMRGQNSH-WCBMZHEXSA-N 1 2 219.281 -0.075 20 0 BBADLO CC[C@](C)([NH2+]C[C@H](O)COC)C(=O)OC ZINC000336741028 385844487 /nfs/dbraw/zinc/84/44/87/385844487.db2.gz VDVCYYYMRGQNSH-WPRPVWTQSA-N 1 2 219.281 -0.075 20 0 BBADLO Cc1c[nH+]c(CNCC(=O)N(C)C)n1C ZINC000336746363 411504861 /nfs/dbraw/zinc/50/48/61/411504861.db2.gz BIAJVSNJWRYBKW-UHFFFAOYSA-N 1 2 210.281 -0.094 20 0 BBADLO Cc1cnc(C[NH2+]CC(=O)N(C)C)n1C ZINC000336746363 411504856 /nfs/dbraw/zinc/50/48/56/411504856.db2.gz BIAJVSNJWRYBKW-UHFFFAOYSA-N 1 2 210.281 -0.094 20 0 BBADLO CCO[C@H]1COCC[C@H]1[NH2+]CC(=O)OC ZINC000336746378 398189408 /nfs/dbraw/zinc/18/94/08/398189408.db2.gz BILPPUXLLFRRQU-BDAKNGLRSA-N 1 2 217.265 -0.057 20 0 BBADLO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)OC ZINC000336746380 398189395 /nfs/dbraw/zinc/18/93/95/398189395.db2.gz BILPPUXLLFRRQU-DTWKUNHWSA-N 1 2 217.265 -0.057 20 0 BBADLO CCO[C@H]1COCC[C@@H]1[NH2+]CC(=O)OC ZINC000336746381 385935264 /nfs/dbraw/zinc/93/52/64/385935264.db2.gz BILPPUXLLFRRQU-IUCAKERBSA-N 1 2 217.265 -0.057 20 0 BBADLO CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)OC ZINC000336746383 385936289 /nfs/dbraw/zinc/93/62/89/385936289.db2.gz BILPPUXLLFRRQU-RKDXNWHRSA-N 1 2 217.265 -0.057 20 0 BBADLO CCS(=O)(=O)NCC[NH2+]Cc1cocn1 ZINC000336747932 385981068 /nfs/dbraw/zinc/98/10/68/385981068.db2.gz CFFHBUNKBZFVLF-UHFFFAOYSA-N 1 2 233.293 -0.297 20 0 BBADLO COCC[C@H](C)[NH2+][C@H](C(=O)OC)[C@H](C)O ZINC000336748807 385987819 /nfs/dbraw/zinc/98/78/19/385987819.db2.gz CXCULGSFONVIDT-CIUDSAMLSA-N 1 2 219.281 -0.077 20 0 BBADLO COCC[C@H](C)[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC000336748808 385988298 /nfs/dbraw/zinc/98/82/98/385988298.db2.gz CXCULGSFONVIDT-DJLDLDEBSA-N 1 2 219.281 -0.077 20 0 BBADLO COCC[C@H](C)[NH2+][C@@H](C(=O)OC)[C@H](C)O ZINC000336748809 385987678 /nfs/dbraw/zinc/98/76/78/385987678.db2.gz CXCULGSFONVIDT-XHNCKOQMSA-N 1 2 219.281 -0.077 20 0 BBADLO COCC[C@H](C)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000336748810 385988505 /nfs/dbraw/zinc/98/85/05/385988505.db2.gz CXCULGSFONVIDT-YIZRAAEISA-N 1 2 219.281 -0.077 20 0 BBADLO Cc1nnc(NCC[N@@H+]2CCOC[C@H]2C)o1 ZINC000336757458 411797216 /nfs/dbraw/zinc/79/72/16/411797216.db2.gz ZCDITAQLUODPGF-MRVPVSSYSA-N 1 2 226.280 0.511 20 0 BBADLO Cc1nnc(NCC[N@H+]2CCOC[C@H]2C)o1 ZINC000336757458 411797213 /nfs/dbraw/zinc/79/72/13/411797213.db2.gz ZCDITAQLUODPGF-MRVPVSSYSA-N 1 2 226.280 0.511 20 0 BBADLO Cc1nnc(NCC[N@@H+]2CCOC[C@@H]2C)o1 ZINC000336757460 411796637 /nfs/dbraw/zinc/79/66/37/411796637.db2.gz ZCDITAQLUODPGF-QMMMGPOBSA-N 1 2 226.280 0.511 20 0 BBADLO Cc1nnc(NCC[N@H+]2CCOC[C@@H]2C)o1 ZINC000336757460 411796625 /nfs/dbraw/zinc/79/66/25/411796625.db2.gz ZCDITAQLUODPGF-QMMMGPOBSA-N 1 2 226.280 0.511 20 0 BBADLO COCC[C@]1([NH2+]CC(=O)OC)CCOC1 ZINC000336757772 386610174 /nfs/dbraw/zinc/61/01/74/386610174.db2.gz JIDQKJHEZDLFPI-JTQLQIEISA-N 1 2 217.265 -0.055 20 0 BBADLO COCC[C@@]1([NH2+]CC(=O)OC)CCOC1 ZINC000336757773 386608946 /nfs/dbraw/zinc/60/89/46/386608946.db2.gz JIDQKJHEZDLFPI-SNVBAGLBSA-N 1 2 217.265 -0.055 20 0 BBADLO C[C@@H]([NH2+][C@@H](C)c1ccon1)C(=O)NC(N)=O ZINC000336758241 386632889 /nfs/dbraw/zinc/63/28/89/386632889.db2.gz ZLGBCJVAHUSOAK-NTSWFWBYSA-N 1 2 226.236 -0.091 20 0 BBADLO C[C@@H]([NH2+][C@H](C)c1ccon1)C(=O)NC(N)=O ZINC000336758242 384903414 /nfs/dbraw/zinc/90/34/14/384903414.db2.gz ZLGBCJVAHUSOAK-PHDIDXHHSA-N 1 2 226.236 -0.091 20 0 BBADLO C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)c1ccon1 ZINC000336758243 386632590 /nfs/dbraw/zinc/63/25/90/386632590.db2.gz ZLGBCJVAHUSOAK-RITPCOANSA-N 1 2 226.236 -0.091 20 0 BBADLO C[C@H]([NH2+][C@@H](C)c1ccon1)C(=O)NC(N)=O ZINC000336758244 386632765 /nfs/dbraw/zinc/63/27/65/386632765.db2.gz ZLGBCJVAHUSOAK-WDSKDSINSA-N 1 2 226.236 -0.091 20 0 BBADLO Cn1cc(C[NH2+][C@@H]2CCCN(C)C2=O)nn1 ZINC000336759486 173021109 /nfs/dbraw/zinc/02/11/09/173021109.db2.gz JCAVVEPJSBNCAQ-SECBINFHSA-N 1 2 223.280 -0.475 20 0 BBADLO Cn1cc(C[NH2+][C@H]2CCCN(C)C2=O)nn1 ZINC000336759487 173045740 /nfs/dbraw/zinc/04/57/40/173045740.db2.gz JCAVVEPJSBNCAQ-VIFPVBQESA-N 1 2 223.280 -0.475 20 0 BBADLO Cc1nc(=NC[C@]2(O)CC[N@H+](C)C2)s[nH]1 ZINC000336759839 179874527 /nfs/dbraw/zinc/87/45/27/179874527.db2.gz LCYAAHOGXAKAMT-SECBINFHSA-N 1 2 228.321 -0.253 20 0 BBADLO Cc1nc(=NC[C@]2(O)CC[N@@H+](C)C2)s[nH]1 ZINC000336759839 179874525 /nfs/dbraw/zinc/87/45/25/179874525.db2.gz LCYAAHOGXAKAMT-SECBINFHSA-N 1 2 228.321 -0.253 20 0 BBADLO Cc1nc(=NC[C@@]2(O)CC[N@H+](C)C2)s[nH]1 ZINC000336759841 386691705 /nfs/dbraw/zinc/69/17/05/386691705.db2.gz LCYAAHOGXAKAMT-VIFPVBQESA-N 1 2 228.321 -0.253 20 0 BBADLO Cc1nc(=NC[C@@]2(O)CC[N@@H+](C)C2)s[nH]1 ZINC000336759841 386691700 /nfs/dbraw/zinc/69/17/00/386691700.db2.gz LCYAAHOGXAKAMT-VIFPVBQESA-N 1 2 228.321 -0.253 20 0 BBADLO COC(=O)[C@]1(NCc2c[nH]c[nH+]2)CCOC1 ZINC000336760105 386699053 /nfs/dbraw/zinc/69/90/53/386699053.db2.gz JNRMSQBMCCNJOS-JTQLQIEISA-N 1 2 225.248 -0.169 20 0 BBADLO COC(=O)[C@]1(NCc2c[nH+]c[nH]2)CCOC1 ZINC000336760105 386699044 /nfs/dbraw/zinc/69/90/44/386699044.db2.gz JNRMSQBMCCNJOS-JTQLQIEISA-N 1 2 225.248 -0.169 20 0 BBADLO COC(=O)[C@@]1(NCc2c[nH]c[nH+]2)CCOC1 ZINC000336760106 384956845 /nfs/dbraw/zinc/95/68/45/384956845.db2.gz JNRMSQBMCCNJOS-SNVBAGLBSA-N 1 2 225.248 -0.169 20 0 BBADLO COC(=O)[C@@]1(NCc2c[nH+]c[nH]2)CCOC1 ZINC000336760106 384956841 /nfs/dbraw/zinc/95/68/41/384956841.db2.gz JNRMSQBMCCNJOS-SNVBAGLBSA-N 1 2 225.248 -0.169 20 0 BBADLO CN(C)S(=O)(=O)CC[NH2+]Cc1cocn1 ZINC000336761330 386780269 /nfs/dbraw/zinc/78/02/69/386780269.db2.gz MSDXDFZMLLCWSN-UHFFFAOYSA-N 1 2 233.293 -0.344 20 0 BBADLO CNc1[nH+]cnc2c1cnn2CC(N)=O ZINC000336766536 191129740 /nfs/dbraw/zinc/12/97/40/191129740.db2.gz RQGVUOJFHIIJFA-UHFFFAOYSA-N 1 2 206.209 -0.647 20 0 BBADLO Cc1nc(N[C@@H]2CCOC2)nc(N(C)C)[nH+]1 ZINC000336772017 411768396 /nfs/dbraw/zinc/76/83/96/411768396.db2.gz UYQDQEOXPZPKJN-MRVPVSSYSA-N 1 2 223.280 0.447 20 0 BBADLO Cc1nc(N(C)C)nc(N[C@@H]2CCOC2)[nH+]1 ZINC000336772017 411768394 /nfs/dbraw/zinc/76/83/94/411768394.db2.gz UYQDQEOXPZPKJN-MRVPVSSYSA-N 1 2 223.280 0.447 20 0 BBADLO Cc1nc(N[C@H]2CCOC2)nc(N(C)C)[nH+]1 ZINC000336772018 411762958 /nfs/dbraw/zinc/76/29/58/411762958.db2.gz UYQDQEOXPZPKJN-QMMMGPOBSA-N 1 2 223.280 0.447 20 0 BBADLO Cc1nc(N(C)C)nc(N[C@H]2CCOC2)[nH+]1 ZINC000336772018 411762955 /nfs/dbraw/zinc/76/29/55/411762955.db2.gz UYQDQEOXPZPKJN-QMMMGPOBSA-N 1 2 223.280 0.447 20 0 BBADLO CCNC(=O)CNCc1[nH+]cc(C)n1C ZINC000336773665 170064580 /nfs/dbraw/zinc/06/45/80/170064580.db2.gz YYRPSGUEKMGIFH-UHFFFAOYSA-N 1 2 210.281 -0.046 20 0 BBADLO CCNC(=O)C[NH2+]Cc1ncc(C)n1C ZINC000336773665 170064579 /nfs/dbraw/zinc/06/45/79/170064579.db2.gz YYRPSGUEKMGIFH-UHFFFAOYSA-N 1 2 210.281 -0.046 20 0 BBADLO COC(=O)C(C)(C)[NH2+]CCN1CCNC1=O ZINC000336774309 386353629 /nfs/dbraw/zinc/35/36/29/386353629.db2.gz WSSMQUCKHRUYMR-UHFFFAOYSA-N 1 2 229.280 -0.447 20 0 BBADLO COC[C@@H](NCc1c[nH+]cn1C)C(=O)OC ZINC000336774932 386377114 /nfs/dbraw/zinc/37/71/14/386377114.db2.gz XMRHLXCMSRGAJU-SECBINFHSA-N 1 2 227.264 -0.302 20 0 BBADLO COC[C@H](NCc1c[nH+]cn1C)C(=O)OC ZINC000336774933 386377548 /nfs/dbraw/zinc/37/75/48/386377548.db2.gz XMRHLXCMSRGAJU-VIFPVBQESA-N 1 2 227.264 -0.302 20 0 BBADLO CNC(=O)[C@H]([NH2+]Cc1nnc(C)[nH]1)C(C)C ZINC000336775258 173305422 /nfs/dbraw/zinc/30/54/22/173305422.db2.gz YMJVXINNDYTBAR-SECBINFHSA-N 1 2 225.296 -0.027 20 0 BBADLO CC[C@H](CO)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000336775263 411751047 /nfs/dbraw/zinc/75/10/47/411751047.db2.gz YMMWNGMRCIANRV-MRVPVSSYSA-N 1 2 225.296 0.429 20 0 BBADLO CC[C@H](CO)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000336775263 411751043 /nfs/dbraw/zinc/75/10/43/411751043.db2.gz YMMWNGMRCIANRV-MRVPVSSYSA-N 1 2 225.296 0.429 20 0 BBADLO CC[C@@H](O)CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000336777930 411733021 /nfs/dbraw/zinc/73/30/21/411733021.db2.gz JXVYSPQQRVXAMA-MRVPVSSYSA-N 1 2 225.296 0.429 20 0 BBADLO CC[C@@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000336777930 411733015 /nfs/dbraw/zinc/73/30/15/411733015.db2.gz JXVYSPQQRVXAMA-MRVPVSSYSA-N 1 2 225.296 0.429 20 0 BBADLO CC[C@H](O)CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000336777931 411748742 /nfs/dbraw/zinc/74/87/42/411748742.db2.gz JXVYSPQQRVXAMA-QMMMGPOBSA-N 1 2 225.296 0.429 20 0 BBADLO CC[C@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000336777931 411748735 /nfs/dbraw/zinc/74/87/35/411748735.db2.gz JXVYSPQQRVXAMA-QMMMGPOBSA-N 1 2 225.296 0.429 20 0 BBADLO Cc1nnc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)[nH]1 ZINC000336778294 386456779 /nfs/dbraw/zinc/45/67/79/386456779.db2.gz KZAQAPSEQVRTPY-HZGVNTEJSA-N 1 2 223.280 -0.273 20 0 BBADLO Cc1nnc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)[nH]1 ZINC000336778295 386458106 /nfs/dbraw/zinc/45/81/06/386458106.db2.gz KZAQAPSEQVRTPY-IMTBSYHQSA-N 1 2 223.280 -0.273 20 0 BBADLO Cc1nnc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)[nH]1 ZINC000336778296 386457135 /nfs/dbraw/zinc/45/71/35/386457135.db2.gz KZAQAPSEQVRTPY-MUWHJKNJSA-N 1 2 223.280 -0.273 20 0 BBADLO Cc1nnc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)[nH]1 ZINC000336778297 386457116 /nfs/dbraw/zinc/45/71/16/386457116.db2.gz KZAQAPSEQVRTPY-RCOVLWMOSA-N 1 2 223.280 -0.273 20 0 BBADLO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000336779026 177173801 /nfs/dbraw/zinc/17/38/01/177173801.db2.gz MZZXTCHLULYZDQ-CAHLUQPWSA-N 1 2 225.252 -0.876 20 0 BBADLO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000336779027 177174377 /nfs/dbraw/zinc/17/43/77/177174377.db2.gz MZZXTCHLULYZDQ-FSPLSTOPSA-N 1 2 225.252 -0.876 20 0 BBADLO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000336779028 353532946 /nfs/dbraw/zinc/53/29/46/353532946.db2.gz MZZXTCHLULYZDQ-IYSWYEEDSA-N 1 2 225.252 -0.876 20 0 BBADLO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000336779029 176184135 /nfs/dbraw/zinc/18/41/35/176184135.db2.gz MZZXTCHLULYZDQ-VDTYLAMSSA-N 1 2 225.252 -0.876 20 0 BBADLO CCOC(=O)[C@H]([NH2+]CCO)[C@@H]1CCCOC1 ZINC000336779483 170277602 /nfs/dbraw/zinc/27/76/02/170277602.db2.gz OLAKVFPNYIQKCA-NXEZZACHSA-N 1 2 231.292 -0.073 20 0 BBADLO CCOC(=O)[C@@H]([NH2+]CCO)[C@H]1CCCOC1 ZINC000336779484 170255779 /nfs/dbraw/zinc/25/57/79/170255779.db2.gz OLAKVFPNYIQKCA-UWVGGRQHSA-N 1 2 231.292 -0.073 20 0 BBADLO CCOC(=O)[C@H]([NH2+]CCO)[C@H]1CCCOC1 ZINC000336779485 170277292 /nfs/dbraw/zinc/27/72/92/170277292.db2.gz OLAKVFPNYIQKCA-VHSXEESVSA-N 1 2 231.292 -0.073 20 0 BBADLO CCOC(=O)[C@@H]([NH2+]CCO)[C@@H]1CCCOC1 ZINC000336779486 170255742 /nfs/dbraw/zinc/25/57/42/170255742.db2.gz OLAKVFPNYIQKCA-ZJUUUORDSA-N 1 2 231.292 -0.073 20 0 BBADLO CCOC(=O)[C@@H]([NH2+]CCO)C1CCOCC1 ZINC000336782119 170255348 /nfs/dbraw/zinc/25/53/48/170255348.db2.gz WQYOZNFBGXAANP-JTQLQIEISA-N 1 2 231.292 -0.073 20 0 BBADLO CCOC(=O)[C@H]([NH2+]CCO)C1CCOCC1 ZINC000336782120 170277633 /nfs/dbraw/zinc/27/76/33/170277633.db2.gz WQYOZNFBGXAANP-SNVBAGLBSA-N 1 2 231.292 -0.073 20 0 BBADLO C[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)C(N)=O ZINC000336789438 175834732 /nfs/dbraw/zinc/83/47/32/175834732.db2.gz SYQORUQTQZLWJA-MRVPVSSYSA-N 1 2 246.270 -0.133 20 0 BBADLO C[C@@H]1C[N@H+](CCCS(N)(=O)=O)C[C@H](C)N1C ZINC000336891478 177248953 /nfs/dbraw/zinc/24/89/53/177248953.db2.gz PZOHQLPPXUJSKI-AOOOYVTPSA-N 1 2 249.380 -0.311 20 0 BBADLO C[C@@H]1C[N@@H+](CCCS(N)(=O)=O)C[C@H](C)N1C ZINC000336891478 177248952 /nfs/dbraw/zinc/24/89/52/177248952.db2.gz PZOHQLPPXUJSKI-AOOOYVTPSA-N 1 2 249.380 -0.311 20 0 BBADLO C[C@@H]1C[NH+](CCCS(N)(=O)=O)C[C@@H](C)N1C ZINC000336891485 176288931 /nfs/dbraw/zinc/28/89/31/176288931.db2.gz PZOHQLPPXUJSKI-NXEZZACHSA-N 1 2 249.380 -0.311 20 0 BBADLO C[C@H]1C[NH+](CCCS(N)(=O)=O)C[C@H](C)N1C ZINC000336891488 177249589 /nfs/dbraw/zinc/24/95/89/177249589.db2.gz PZOHQLPPXUJSKI-UWVGGRQHSA-N 1 2 249.380 -0.311 20 0 BBADLO CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NCC1CC1 ZINC000336904148 386548005 /nfs/dbraw/zinc/54/80/05/386548005.db2.gz SHKDOPDWJHBRCH-UHFFFAOYSA-N 1 2 236.275 -0.106 20 0 BBADLO Cn1nncc1C(=O)Nc1cc[nH+]cc1O ZINC000336922185 386555805 /nfs/dbraw/zinc/55/58/05/386555805.db2.gz HXKHLMJEHVXCPB-UHFFFAOYSA-N 1 2 219.204 -0.410 20 0 BBADLO CCNC(=O)[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000336935472 170086501 /nfs/dbraw/zinc/08/65/01/170086501.db2.gz TUCFUPWOEHXCCI-SECBINFHSA-N 1 2 238.291 -0.086 20 0 BBADLO CCNC(=O)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000336935473 170093157 /nfs/dbraw/zinc/09/31/57/170093157.db2.gz TUCFUPWOEHXCCI-VIFPVBQESA-N 1 2 238.291 -0.086 20 0 BBADLO COC(=O)[C@@H]1C[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000337005749 386578805 /nfs/dbraw/zinc/57/88/05/386578805.db2.gz AOKWMEVRZSPJKP-HTQZYQBOSA-N 1 2 223.232 -0.165 20 0 BBADLO COC(=O)[C@@H]1C[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000337005749 386578798 /nfs/dbraw/zinc/57/87/98/386578798.db2.gz AOKWMEVRZSPJKP-HTQZYQBOSA-N 1 2 223.232 -0.165 20 0 BBADLO COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000337005751 386579509 /nfs/dbraw/zinc/57/95/09/386579509.db2.gz AOKWMEVRZSPJKP-JGVFFNPUSA-N 1 2 223.232 -0.165 20 0 BBADLO COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000337005751 386579506 /nfs/dbraw/zinc/57/95/06/386579506.db2.gz AOKWMEVRZSPJKP-JGVFFNPUSA-N 1 2 223.232 -0.165 20 0 BBADLO COC(=O)[C@H]1C[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000337005755 386580010 /nfs/dbraw/zinc/58/00/10/386580010.db2.gz AOKWMEVRZSPJKP-SFYZADRCSA-N 1 2 223.232 -0.165 20 0 BBADLO COC(=O)[C@H]1C[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000337005755 386580005 /nfs/dbraw/zinc/58/00/05/386580005.db2.gz AOKWMEVRZSPJKP-SFYZADRCSA-N 1 2 223.232 -0.165 20 0 BBADLO COC(=O)[C@H]1C[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000337005760 386579447 /nfs/dbraw/zinc/57/94/47/386579447.db2.gz AOKWMEVRZSPJKP-YUMQZZPRSA-N 1 2 223.232 -0.165 20 0 BBADLO COC(=O)[C@H]1C[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000337005760 386579442 /nfs/dbraw/zinc/57/94/42/386579442.db2.gz AOKWMEVRZSPJKP-YUMQZZPRSA-N 1 2 223.232 -0.165 20 0 BBADLO COC[C@H](O)C[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000337055991 386585962 /nfs/dbraw/zinc/58/59/62/386585962.db2.gz UVWLOSKBESFCNC-SNVBAGLBSA-N 1 2 228.292 -0.700 20 0 BBADLO COC[C@H](O)C[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000337055991 386585954 /nfs/dbraw/zinc/58/59/54/386585954.db2.gz UVWLOSKBESFCNC-SNVBAGLBSA-N 1 2 228.292 -0.700 20 0 BBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCCC(N)=O ZINC000337099621 386600846 /nfs/dbraw/zinc/60/08/46/386600846.db2.gz CZDKWDIEGKQHJH-MRVPVSSYSA-N 1 2 239.279 -0.554 20 0 BBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCC(N)=O ZINC000337099622 386599884 /nfs/dbraw/zinc/59/98/84/386599884.db2.gz CZDKWDIEGKQHJH-QMMMGPOBSA-N 1 2 239.279 -0.554 20 0 BBADLO NC(=O)CCNC(=O)NCCCn1cc[nH+]c1 ZINC000337120620 181224887 /nfs/dbraw/zinc/22/48/87/181224887.db2.gz ZHCCZIJQZAZNRD-UHFFFAOYSA-N 1 2 239.279 -0.552 20 0 BBADLO C[N@@H+](CC(N)=O)C[C@](C)(O)C(F)(F)F ZINC000337129573 386618010 /nfs/dbraw/zinc/61/80/10/386618010.db2.gz JCMAWYRPOAAAPH-LURJTMIESA-N 1 2 214.187 -0.283 20 0 BBADLO C[N@H+](CC(N)=O)C[C@](C)(O)C(F)(F)F ZINC000337129573 386618004 /nfs/dbraw/zinc/61/80/04/386618004.db2.gz JCMAWYRPOAAAPH-LURJTMIESA-N 1 2 214.187 -0.283 20 0 BBADLO C[N@@H+](CC(N)=O)C[C@@](C)(O)C(F)(F)F ZINC000337129574 386617334 /nfs/dbraw/zinc/61/73/34/386617334.db2.gz JCMAWYRPOAAAPH-ZCFIWIBFSA-N 1 2 214.187 -0.283 20 0 BBADLO C[N@H+](CC(N)=O)C[C@@](C)(O)C(F)(F)F ZINC000337129574 386617331 /nfs/dbraw/zinc/61/73/31/386617331.db2.gz JCMAWYRPOAAAPH-ZCFIWIBFSA-N 1 2 214.187 -0.283 20 0 BBADLO CN(C)c1noc(C[N@@H+](CCO)CCCO)n1 ZINC000337132778 386620167 /nfs/dbraw/zinc/62/01/67/386620167.db2.gz ANIVNIRZWSUPSY-UHFFFAOYSA-N 1 2 244.295 -0.688 20 0 BBADLO CN(C)c1noc(C[N@H+](CCO)CCCO)n1 ZINC000337132778 386620162 /nfs/dbraw/zinc/62/01/62/386620162.db2.gz ANIVNIRZWSUPSY-UHFFFAOYSA-N 1 2 244.295 -0.688 20 0 BBADLO CNC(=O)CN(C)CC[N@H+]1CCOC[C@@H]1C ZINC000337135547 173266568 /nfs/dbraw/zinc/26/65/68/173266568.db2.gz NYAJRPSIRXVTRO-JTQLQIEISA-N 1 2 229.324 -0.615 20 0 BBADLO CNC(=O)CN(C)CC[N@@H+]1CCOC[C@@H]1C ZINC000337135547 173266566 /nfs/dbraw/zinc/26/65/66/173266566.db2.gz NYAJRPSIRXVTRO-JTQLQIEISA-N 1 2 229.324 -0.615 20 0 BBADLO CNC(=O)CN(C)CC[N@H+]1CCOC[C@H]1C ZINC000337135550 173268224 /nfs/dbraw/zinc/26/82/24/173268224.db2.gz NYAJRPSIRXVTRO-SNVBAGLBSA-N 1 2 229.324 -0.615 20 0 BBADLO CNC(=O)CN(C)CC[N@@H+]1CCOC[C@H]1C ZINC000337135550 173268221 /nfs/dbraw/zinc/26/82/21/173268221.db2.gz NYAJRPSIRXVTRO-SNVBAGLBSA-N 1 2 229.324 -0.615 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCN(C)CC(N)=O ZINC000337135981 176335569 /nfs/dbraw/zinc/33/55/69/176335569.db2.gz OFGYHXVVCXZVGW-SECBINFHSA-N 1 2 215.297 -0.876 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCN(C)CC(N)=O ZINC000337135981 176335567 /nfs/dbraw/zinc/33/55/67/176335567.db2.gz OFGYHXVVCXZVGW-SECBINFHSA-N 1 2 215.297 -0.876 20 0 BBADLO C[C@H]1COCC[N@H+]1CCN(C)CC(N)=O ZINC000337135982 177291661 /nfs/dbraw/zinc/29/16/61/177291661.db2.gz OFGYHXVVCXZVGW-VIFPVBQESA-N 1 2 215.297 -0.876 20 0 BBADLO C[C@H]1COCC[N@@H+]1CCN(C)CC(N)=O ZINC000337135982 177291660 /nfs/dbraw/zinc/29/16/60/177291660.db2.gz OFGYHXVVCXZVGW-VIFPVBQESA-N 1 2 215.297 -0.876 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCN1CCNC(=O)CC1 ZINC000337140503 176336500 /nfs/dbraw/zinc/33/65/00/176336500.db2.gz RCZKJDGFAIOWHX-LLVKDONJSA-N 1 2 241.335 -0.471 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCN1CCNC(=O)CC1 ZINC000337140503 176336499 /nfs/dbraw/zinc/33/64/99/176336499.db2.gz RCZKJDGFAIOWHX-LLVKDONJSA-N 1 2 241.335 -0.471 20 0 BBADLO C[C@H]1COCC[N@H+]1CCN1CCNC(=O)CC1 ZINC000337140504 177290591 /nfs/dbraw/zinc/29/05/91/177290591.db2.gz RCZKJDGFAIOWHX-NSHDSACASA-N 1 2 241.335 -0.471 20 0 BBADLO C[C@H]1COCC[N@@H+]1CCN1CCNC(=O)CC1 ZINC000337140504 177290589 /nfs/dbraw/zinc/29/05/89/177290589.db2.gz RCZKJDGFAIOWHX-NSHDSACASA-N 1 2 241.335 -0.471 20 0 BBADLO COc1ncc(C[N@@H+](C)CC(N)=O)c(C)n1 ZINC000337140943 175398244 /nfs/dbraw/zinc/39/82/44/175398244.db2.gz VAQQPXPFFHOLLP-UHFFFAOYSA-N 1 2 224.264 -0.289 20 0 BBADLO COc1ncc(C[N@H+](C)CC(N)=O)c(C)n1 ZINC000337140943 175398242 /nfs/dbraw/zinc/39/82/42/175398242.db2.gz VAQQPXPFFHOLLP-UHFFFAOYSA-N 1 2 224.264 -0.289 20 0 BBADLO C[C@@H]1COCCN1CC[N@H+]1CCO[C@H](CO)C1 ZINC000337177163 176335407 /nfs/dbraw/zinc/33/54/07/176335407.db2.gz JUMGPZYZZOKDRD-NEPJUHHUSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@@H]1COCCN1CC[N@@H+]1CCO[C@H](CO)C1 ZINC000337177163 176335405 /nfs/dbraw/zinc/33/54/05/176335405.db2.gz JUMGPZYZZOKDRD-NEPJUHHUSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@H]1COCCN1CC[N@H+]1CCO[C@@H](CO)C1 ZINC000337177165 177290671 /nfs/dbraw/zinc/29/06/71/177290671.db2.gz JUMGPZYZZOKDRD-NWDGAFQWSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@H]1COCCN1CC[N@@H+]1CCO[C@@H](CO)C1 ZINC000337177165 177290670 /nfs/dbraw/zinc/29/06/70/177290670.db2.gz JUMGPZYZZOKDRD-NWDGAFQWSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@H]1COCCN1CC[N@H+]1CCO[C@H](CO)C1 ZINC000337177166 177291287 /nfs/dbraw/zinc/29/12/87/177291287.db2.gz JUMGPZYZZOKDRD-RYUDHWBXSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@H]1COCCN1CC[N@@H+]1CCO[C@H](CO)C1 ZINC000337177166 177291285 /nfs/dbraw/zinc/29/12/85/177291285.db2.gz JUMGPZYZZOKDRD-RYUDHWBXSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@@H]1COCCN1CC[N@H+]1CCO[C@@H](CO)C1 ZINC000337177167 176336593 /nfs/dbraw/zinc/33/65/93/176336593.db2.gz JUMGPZYZZOKDRD-VXGBXAGGSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@@H]1COCCN1CC[N@@H+]1CCO[C@@H](CO)C1 ZINC000337177167 176336591 /nfs/dbraw/zinc/33/65/91/176336591.db2.gz JUMGPZYZZOKDRD-VXGBXAGGSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1O ZINC000337193710 176312284 /nfs/dbraw/zinc/31/22/84/176312284.db2.gz VSMKLPFPRBSCQD-HTQZYQBOSA-N 1 2 226.280 -0.052 20 0 BBADLO C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1O ZINC000337193710 176312282 /nfs/dbraw/zinc/31/22/82/176312282.db2.gz VSMKLPFPRBSCQD-HTQZYQBOSA-N 1 2 226.280 -0.052 20 0 BBADLO C[C@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1O ZINC000337193712 177270729 /nfs/dbraw/zinc/27/07/29/177270729.db2.gz VSMKLPFPRBSCQD-JGVFFNPUSA-N 1 2 226.280 -0.052 20 0 BBADLO C[C@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1O ZINC000337193712 177270727 /nfs/dbraw/zinc/27/07/27/177270727.db2.gz VSMKLPFPRBSCQD-JGVFFNPUSA-N 1 2 226.280 -0.052 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@@H]1O ZINC000337193713 176311689 /nfs/dbraw/zinc/31/16/89/176311689.db2.gz VSMKLPFPRBSCQD-SFYZADRCSA-N 1 2 226.280 -0.052 20 0 BBADLO C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@@H]1O ZINC000337193713 176311687 /nfs/dbraw/zinc/31/16/87/176311687.db2.gz VSMKLPFPRBSCQD-SFYZADRCSA-N 1 2 226.280 -0.052 20 0 BBADLO C[C@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@@H]1O ZINC000337193715 177270488 /nfs/dbraw/zinc/27/04/88/177270488.db2.gz VSMKLPFPRBSCQD-YUMQZZPRSA-N 1 2 226.280 -0.052 20 0 BBADLO C[C@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@@H]1O ZINC000337193715 177270486 /nfs/dbraw/zinc/27/04/86/177270486.db2.gz VSMKLPFPRBSCQD-YUMQZZPRSA-N 1 2 226.280 -0.052 20 0 BBADLO C[C@H]1COCC[N@H+]1CCN1CC(=O)N(C)C1 ZINC000337196323 177291670 /nfs/dbraw/zinc/29/16/70/177291670.db2.gz XIICYKBEOOOHHQ-JTQLQIEISA-N 1 2 227.308 -0.561 20 0 BBADLO C[C@H]1COCC[N@@H+]1CCN1CC(=O)N(C)C1 ZINC000337196323 177291668 /nfs/dbraw/zinc/29/16/68/177291668.db2.gz XIICYKBEOOOHHQ-JTQLQIEISA-N 1 2 227.308 -0.561 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCN1CC(=O)N(C)C1 ZINC000337196325 176336074 /nfs/dbraw/zinc/33/60/74/176336074.db2.gz XIICYKBEOOOHHQ-SNVBAGLBSA-N 1 2 227.308 -0.561 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCN1CC(=O)N(C)C1 ZINC000337196325 176336073 /nfs/dbraw/zinc/33/60/73/176336073.db2.gz XIICYKBEOOOHHQ-SNVBAGLBSA-N 1 2 227.308 -0.561 20 0 BBADLO COCCN(Cc1[nH+]ccn1C)[C@H](C)C(N)=O ZINC000337223309 174303095 /nfs/dbraw/zinc/30/30/95/174303095.db2.gz NYORGQCDHHHETF-SECBINFHSA-N 1 2 240.307 -0.258 20 0 BBADLO COCCN(Cc1[nH+]ccn1C)[C@@H](C)C(N)=O ZINC000337223310 174301829 /nfs/dbraw/zinc/30/18/29/174301829.db2.gz NYORGQCDHHHETF-VIFPVBQESA-N 1 2 240.307 -0.258 20 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C[C@@H]1C[N@H+](CCN2CC(=O)N(C)C2)CCO1 ZINC000337310875 176291009 /nfs/dbraw/zinc/29/10/09/176291009.db2.gz BPLZFZIYABOJPC-SNVBAGLBSA-N 1 2 227.308 -0.561 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)Cn1cnnn1 ZINC000337313769 385602820 /nfs/dbraw/zinc/60/28/20/385602820.db2.gz AWKAOSIGYZADAI-UHFFFAOYSA-N 1 2 218.220 -0.563 20 0 BBADLO CC(C)[C@H](NC(=O)CCn1cc[nH+]c1)C(N)=O ZINC000337318413 385595358 /nfs/dbraw/zinc/59/53/58/385595358.db2.gz MNQKGINEFWOASH-JTQLQIEISA-N 1 2 238.291 -0.101 20 0 BBADLO CC(C)[C@@H](NC(=O)CCn1cc[nH+]c1)C(N)=O ZINC000337318414 385594915 /nfs/dbraw/zinc/59/49/15/385594915.db2.gz MNQKGINEFWOASH-SNVBAGLBSA-N 1 2 238.291 -0.101 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)[C@H](C)NC(N)=O ZINC000337323566 385597265 /nfs/dbraw/zinc/59/72/65/385597265.db2.gz LSKMFJXOTVWIPV-ZETCQYMHSA-N 1 2 222.248 -0.193 20 0 BBADLO C[C@@H]1C[N@@H+](CCN(C)CC(N)=O)CCO1 ZINC000337331658 176290901 /nfs/dbraw/zinc/29/09/01/176290901.db2.gz IKVOBIXQWZYDPW-SECBINFHSA-N 1 2 215.297 -0.876 20 0 BBADLO C[C@@H]1C[N@H+](CCN(C)CC(N)=O)CCO1 ZINC000337331658 176290899 /nfs/dbraw/zinc/29/08/99/176290899.db2.gz IKVOBIXQWZYDPW-SECBINFHSA-N 1 2 215.297 -0.876 20 0 BBADLO C[C@H]1C[N@@H+](CCN(C)CC(N)=O)CCO1 ZINC000337331659 177250968 /nfs/dbraw/zinc/25/09/68/177250968.db2.gz IKVOBIXQWZYDPW-VIFPVBQESA-N 1 2 215.297 -0.876 20 0 BBADLO C[C@H]1C[N@H+](CCN(C)CC(N)=O)CCO1 ZINC000337331659 177250967 /nfs/dbraw/zinc/25/09/67/177250967.db2.gz IKVOBIXQWZYDPW-VIFPVBQESA-N 1 2 215.297 -0.876 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)CS(C)(=O)=O ZINC000337331746 385601683 /nfs/dbraw/zinc/60/16/83/385601683.db2.gz WEYYWFOZLSNMOV-UHFFFAOYSA-N 1 2 228.273 -0.205 20 0 BBADLO COC(=O)CN(C)CC[N@H+]1CCO[C@@H](C)C1 ZINC000337336046 385606949 /nfs/dbraw/zinc/60/69/49/385606949.db2.gz MRRYPPXFVVIZAU-JTQLQIEISA-N 1 2 230.308 -0.188 20 0 BBADLO COC(=O)CN(C)CC[N@@H+]1CCO[C@@H](C)C1 ZINC000337336046 385606945 /nfs/dbraw/zinc/60/69/45/385606945.db2.gz MRRYPPXFVVIZAU-JTQLQIEISA-N 1 2 230.308 -0.188 20 0 BBADLO COC(=O)CN(C)CC[N@H+]1CCO[C@H](C)C1 ZINC000337336047 385607646 /nfs/dbraw/zinc/60/76/46/385607646.db2.gz MRRYPPXFVVIZAU-SNVBAGLBSA-N 1 2 230.308 -0.188 20 0 BBADLO COC(=O)CN(C)CC[N@@H+]1CCO[C@H](C)C1 ZINC000337336047 385607642 /nfs/dbraw/zinc/60/76/42/385607642.db2.gz MRRYPPXFVVIZAU-SNVBAGLBSA-N 1 2 230.308 -0.188 20 0 BBADLO C[C@@H]1C[N@@H+](CCN2CCNC(=O)CC2)CCO1 ZINC000337336677 176290996 /nfs/dbraw/zinc/29/09/96/176290996.db2.gz NPULBRHMNGYICW-LLVKDONJSA-N 1 2 241.335 -0.471 20 0 BBADLO C[C@@H]1C[N@H+](CCN2CCNC(=O)CC2)CCO1 ZINC000337336677 176290994 /nfs/dbraw/zinc/29/09/94/176290994.db2.gz NPULBRHMNGYICW-LLVKDONJSA-N 1 2 241.335 -0.471 20 0 BBADLO C[C@H]1C[N@@H+](CCN2CCNC(=O)CC2)CCO1 ZINC000337336678 177250951 /nfs/dbraw/zinc/25/09/51/177250951.db2.gz NPULBRHMNGYICW-NSHDSACASA-N 1 2 241.335 -0.471 20 0 BBADLO C[C@H]1C[N@H+](CCN2CCNC(=O)CC2)CCO1 ZINC000337336678 177250950 /nfs/dbraw/zinc/25/09/50/177250950.db2.gz NPULBRHMNGYICW-NSHDSACASA-N 1 2 241.335 -0.471 20 0 BBADLO CNC(=O)CN(C)CC[N@H+]1CCO[C@@H](C)C1 ZINC000337340518 173267799 /nfs/dbraw/zinc/26/77/99/173267799.db2.gz STQXEQSCUGDHML-JTQLQIEISA-N 1 2 229.324 -0.615 20 0 BBADLO CNC(=O)CN(C)CC[N@@H+]1CCO[C@@H](C)C1 ZINC000337340518 173267796 /nfs/dbraw/zinc/26/77/96/173267796.db2.gz STQXEQSCUGDHML-JTQLQIEISA-N 1 2 229.324 -0.615 20 0 BBADLO CNC(=O)CN(C)CC[N@H+]1CCO[C@H](C)C1 ZINC000337340519 173267087 /nfs/dbraw/zinc/26/70/87/173267087.db2.gz STQXEQSCUGDHML-SNVBAGLBSA-N 1 2 229.324 -0.615 20 0 BBADLO CNC(=O)CN(C)CC[N@@H+]1CCO[C@H](C)C1 ZINC000337340519 173267085 /nfs/dbraw/zinc/26/70/85/173267085.db2.gz STQXEQSCUGDHML-SNVBAGLBSA-N 1 2 229.324 -0.615 20 0 BBADLO CCNC(=O)CC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000337358102 170051870 /nfs/dbraw/zinc/05/18/70/170051870.db2.gz COVCPABTGGBGOF-UHFFFAOYSA-N 1 2 239.319 -0.181 20 0 BBADLO CCNC(=O)CC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000337358102 170051869 /nfs/dbraw/zinc/05/18/69/170051869.db2.gz COVCPABTGGBGOF-UHFFFAOYSA-N 1 2 239.319 -0.181 20 0 BBADLO CC(=O)NCCC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000337361898 385619621 /nfs/dbraw/zinc/61/96/21/385619621.db2.gz GSRWLOAKGBJUKY-UHFFFAOYSA-N 1 2 239.319 -0.181 20 0 BBADLO CC(=O)NCCC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000337361898 385619612 /nfs/dbraw/zinc/61/96/12/385619612.db2.gz GSRWLOAKGBJUKY-UHFFFAOYSA-N 1 2 239.319 -0.181 20 0 BBADLO CC(=O)NCC(=O)Nc1cc[nH+]cc1C ZINC000337379717 188362756 /nfs/dbraw/zinc/36/27/56/188362756.db2.gz AEUOWLPVXTTXKM-UHFFFAOYSA-N 1 2 207.233 -0.113 20 0 BBADLO CC1(C)CNC(=O)C[N@H+]1CCn1cncn1 ZINC000337380660 350577777 /nfs/dbraw/zinc/57/77/77/350577777.db2.gz CWQLCPFDPXHTFV-UHFFFAOYSA-N 1 2 223.280 -0.512 20 0 BBADLO CC1(C)CNC(=O)C[N@@H+]1CCn1cncn1 ZINC000337380660 350577775 /nfs/dbraw/zinc/57/77/75/350577775.db2.gz CWQLCPFDPXHTFV-UHFFFAOYSA-N 1 2 223.280 -0.512 20 0 BBADLO CC1(C)CNC(=O)C[N@H+]1CCOCCO ZINC000337381917 350578503 /nfs/dbraw/zinc/57/85/03/350578503.db2.gz DIZIZGXKJNOABC-UHFFFAOYSA-N 1 2 216.281 -0.794 20 0 BBADLO CC1(C)CNC(=O)C[N@@H+]1CCOCCO ZINC000337381917 350578500 /nfs/dbraw/zinc/57/85/00/350578500.db2.gz DIZIZGXKJNOABC-UHFFFAOYSA-N 1 2 216.281 -0.794 20 0 BBADLO C[C@@H]1C[N@@H+](CCN2CCOCC2)CC(=O)N1C ZINC000337391493 176291286 /nfs/dbraw/zinc/29/12/86/176291286.db2.gz HRGNHTANQBNAAR-LLVKDONJSA-N 1 2 241.335 -0.519 20 0 BBADLO C[C@@H]1C[N@H+](CCN2CCOCC2)CC(=O)N1C ZINC000337391493 176291285 /nfs/dbraw/zinc/29/12/85/176291285.db2.gz HRGNHTANQBNAAR-LLVKDONJSA-N 1 2 241.335 -0.519 20 0 BBADLO C[C@H]1C[N@@H+](CCN2CCOCC2)CC(=O)N1C ZINC000337391494 177251747 /nfs/dbraw/zinc/25/17/47/177251747.db2.gz HRGNHTANQBNAAR-NSHDSACASA-N 1 2 241.335 -0.519 20 0 BBADLO C[C@H]1C[N@H+](CCN2CCOCC2)CC(=O)N1C ZINC000337391494 177251746 /nfs/dbraw/zinc/25/17/46/177251746.db2.gz HRGNHTANQBNAAR-NSHDSACASA-N 1 2 241.335 -0.519 20 0 BBADLO CC[NH+](CC)CC(=O)NC(C)(C)c1nn[nH]n1 ZINC000337406474 385651079 /nfs/dbraw/zinc/65/10/79/385651079.db2.gz NYPBSSXGLWYROH-UHFFFAOYSA-N 1 2 240.311 -0.107 20 0 BBADLO CCc1nnc(C[N@@H+](C)CCOCCO)[nH]1 ZINC000337423148 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CN(C)c1noc(C[N@H+](C)CCOCCO)n1 ZINC000337500236 385694179 /nfs/dbraw/zinc/69/41/79/385694179.db2.gz VHYYYZONDGBHKF-UHFFFAOYSA-N 1 2 244.295 -0.424 20 0 BBADLO Cn1cc(C(=O)C(=O)NCC[NH+]2CCC2)cn1 ZINC000337579386 385714579 /nfs/dbraw/zinc/71/45/79/385714579.db2.gz HWPHKYBEDGVEAL-UHFFFAOYSA-N 1 2 236.275 -0.575 20 0 BBADLO C[C@H](O)C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000337607394 385728754 /nfs/dbraw/zinc/72/87/54/385728754.db2.gz VWJIHCCVTCDMJQ-GXSJLCMTSA-N 1 2 235.287 -0.065 20 0 BBADLO C[C@@H](O)C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000337607395 385727995 /nfs/dbraw/zinc/72/79/95/385727995.db2.gz VWJIHCCVTCDMJQ-KOLCDFICSA-N 1 2 235.287 -0.065 20 0 BBADLO C[C@@H](O)C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000337607396 385728828 /nfs/dbraw/zinc/72/88/28/385728828.db2.gz VWJIHCCVTCDMJQ-MWLCHTKSSA-N 1 2 235.287 -0.065 20 0 BBADLO C[C@H](O)C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000337607397 385728847 /nfs/dbraw/zinc/72/88/47/385728847.db2.gz VWJIHCCVTCDMJQ-ONGXEEELSA-N 1 2 235.287 -0.065 20 0 BBADLO CC(=O)CCC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000337609643 188362336 /nfs/dbraw/zinc/36/23/36/188362336.db2.gz VASMGTBLLPHVNE-LLVKDONJSA-N 1 2 242.319 -0.119 20 0 BBADLO C[C@H](O)C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000337612264 385727667 /nfs/dbraw/zinc/72/76/67/385727667.db2.gz ZFIVVJYRXJHVBL-GXSJLCMTSA-N 1 2 235.287 -0.065 20 0 BBADLO C[C@@H](O)C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000337612265 385728775 /nfs/dbraw/zinc/72/87/75/385728775.db2.gz ZFIVVJYRXJHVBL-KOLCDFICSA-N 1 2 235.287 -0.065 20 0 BBADLO C[C@@H](O)C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000337612266 385728693 /nfs/dbraw/zinc/72/86/93/385728693.db2.gz ZFIVVJYRXJHVBL-MWLCHTKSSA-N 1 2 235.287 -0.065 20 0 BBADLO C[C@H](O)C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000337612267 385728380 /nfs/dbraw/zinc/72/83/80/385728380.db2.gz ZFIVVJYRXJHVBL-ONGXEEELSA-N 1 2 235.287 -0.065 20 0 BBADLO CC[NH+](CC)CC(=O)NC1(c2nn[nH]n2)CC1 ZINC000337617353 385730215 /nfs/dbraw/zinc/73/02/15/385730215.db2.gz DGIZNXSSKIIDFP-UHFFFAOYSA-N 1 2 238.295 -0.353 20 0 BBADLO Cn1ncc2c1nc[nH+]c2NCCn1ncnn1 ZINC000337632874 388473517 /nfs/dbraw/zinc/47/35/17/388473517.db2.gz ZIOAFYZTCPDNTC-UHFFFAOYSA-N 1 2 245.250 -0.538 20 0 BBADLO CC(=O)NCC(C)(C)[NH+]1CCS(=O)CC1 ZINC000337634969 350601255 /nfs/dbraw/zinc/60/12/55/350601255.db2.gz BLIPVERYJJMNME-UHFFFAOYSA-N 1 2 232.349 -0.035 20 0 BBADLO Cc1nnc(N(C)CC[NH+]2CCOCC2)n1C ZINC000337843717 385807569 /nfs/dbraw/zinc/80/75/69/385807569.db2.gz HCDXTPNJERVGAS-UHFFFAOYSA-N 1 2 239.323 -0.108 20 0 BBADLO CCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000337874069 170071529 /nfs/dbraw/zinc/07/15/29/170071529.db2.gz SXDZJXVGEWKBRR-UHFFFAOYSA-N 1 2 215.297 -0.020 20 0 BBADLO CCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000337905348 170071796 /nfs/dbraw/zinc/07/17/96/170071796.db2.gz ULUGCLOCMNIRMK-JTQLQIEISA-N 1 2 245.323 -0.659 20 0 BBADLO CCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000337905349 170071671 /nfs/dbraw/zinc/07/16/71/170071671.db2.gz ULUGCLOCMNIRMK-SNVBAGLBSA-N 1 2 245.323 -0.659 20 0 BBADLO Cn1ncc2c1nc[nH+]c2N1CC(CC(N)=O)C1 ZINC000337940364 180821868 /nfs/dbraw/zinc/82/18/68/180821868.db2.gz LVAZOSODUGCODC-UHFFFAOYSA-N 1 2 246.274 -0.325 20 0 BBADLO Cn1nnc(CNc2[nH+]cnc3c2cnn3C)n1 ZINC000337945215 388475313 /nfs/dbraw/zinc/47/53/13/388475313.db2.gz HPKDPHXYNDYKAD-UHFFFAOYSA-N 1 2 245.250 -0.501 20 0 BBADLO CN(C(=O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C1CC1 ZINC000337958309 173149325 /nfs/dbraw/zinc/14/93/25/173149325.db2.gz BLLSDRFNCKZUGO-JTQLQIEISA-N 1 2 239.319 -0.230 20 0 BBADLO CN(C(=O)C[N@H+](C)[C@H]1CCN(C)C1=O)C1CC1 ZINC000337958309 173149324 /nfs/dbraw/zinc/14/93/24/173149324.db2.gz BLLSDRFNCKZUGO-JTQLQIEISA-N 1 2 239.319 -0.230 20 0 BBADLO CN(C(=O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C1CC1 ZINC000337958310 173117911 /nfs/dbraw/zinc/11/79/11/173117911.db2.gz BLLSDRFNCKZUGO-SNVBAGLBSA-N 1 2 239.319 -0.230 20 0 BBADLO CN(C(=O)C[N@H+](C)[C@@H]1CCN(C)C1=O)C1CC1 ZINC000337958310 173117909 /nfs/dbraw/zinc/11/79/09/173117909.db2.gz BLLSDRFNCKZUGO-SNVBAGLBSA-N 1 2 239.319 -0.230 20 0 BBADLO O=C(C[N@@H+]1CC[C@@H](O)C1)Nc1ccncc1 ZINC000337979948 181966685 /nfs/dbraw/zinc/96/66/85/181966685.db2.gz QHYYOTBXHGHOAA-SNVBAGLBSA-N 1 2 221.260 -0.491 20 0 BBADLO O=C(C[N@H+]1CC[C@@H](O)C1)Nc1ccncc1 ZINC000337979948 181966684 /nfs/dbraw/zinc/96/66/84/181966684.db2.gz QHYYOTBXHGHOAA-SNVBAGLBSA-N 1 2 221.260 -0.491 20 0 BBADLO CCNC(=O)CNC(=O)CCn1cc[nH+]c1 ZINC000338029657 170062381 /nfs/dbraw/zinc/06/23/81/170062381.db2.gz NXSKRDFPDSKKJH-UHFFFAOYSA-N 1 2 224.264 -0.475 20 0 BBADLO CN(C)C(=O)CCNC(=O)CCn1cc[nH+]c1 ZINC000338051677 172359229 /nfs/dbraw/zinc/35/92/29/172359229.db2.gz CPEBBGSTYSVEDP-UHFFFAOYSA-N 1 2 238.291 -0.132 20 0 BBADLO COCCN(C)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000338052307 174272320 /nfs/dbraw/zinc/27/23/20/174272320.db2.gz HSEAYEHVUUUOEM-LLVKDONJSA-N 1 2 243.351 -0.273 20 0 BBADLO COCCN(C)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000338052309 174273016 /nfs/dbraw/zinc/27/30/16/174273016.db2.gz HSEAYEHVUUUOEM-NSHDSACASA-N 1 2 243.351 -0.273 20 0 BBADLO O=C(NCCC[N@H+]1CCNC(=O)C1)C1CCC1 ZINC000338130939 385903547 /nfs/dbraw/zinc/90/35/47/385903547.db2.gz BRLFAJYMWNILEN-UHFFFAOYSA-N 1 2 239.319 -0.275 20 0 BBADLO O=C(NCCC[N@@H+]1CCNC(=O)C1)C1CCC1 ZINC000338130939 385903530 /nfs/dbraw/zinc/90/35/30/385903530.db2.gz BRLFAJYMWNILEN-UHFFFAOYSA-N 1 2 239.319 -0.275 20 0 BBADLO O=C(NCCC[N@H+]1CCNC(=O)C1)C1CC1 ZINC000338132481 385903394 /nfs/dbraw/zinc/90/33/94/385903394.db2.gz SAXARIDBCRSQLK-UHFFFAOYSA-N 1 2 225.292 -0.666 20 0 BBADLO O=C(NCCC[N@@H+]1CCNC(=O)C1)C1CC1 ZINC000338132481 385903391 /nfs/dbraw/zinc/90/33/91/385903391.db2.gz SAXARIDBCRSQLK-UHFFFAOYSA-N 1 2 225.292 -0.666 20 0 BBADLO CCCC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000338134177 385902822 /nfs/dbraw/zinc/90/28/22/385902822.db2.gz MVMHLNSPEGDZSF-UHFFFAOYSA-N 1 2 227.308 -0.275 20 0 BBADLO CCCC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000338134177 385902817 /nfs/dbraw/zinc/90/28/17/385902817.db2.gz MVMHLNSPEGDZSF-UHFFFAOYSA-N 1 2 227.308 -0.275 20 0 BBADLO CC(C)(C)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000338134663 385902539 /nfs/dbraw/zinc/90/25/39/385902539.db2.gz MBIIIOFNWOZYPP-UHFFFAOYSA-N 1 2 241.335 -0.029 20 0 BBADLO CC(C)(C)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000338134663 385902535 /nfs/dbraw/zinc/90/25/35/385902535.db2.gz MBIIIOFNWOZYPP-UHFFFAOYSA-N 1 2 241.335 -0.029 20 0 BBADLO CC[C@H](C)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000338135172 171251047 /nfs/dbraw/zinc/25/10/47/171251047.db2.gz IPKXBEFBIBSONT-JTQLQIEISA-N 1 2 241.335 -0.029 20 0 BBADLO CC[C@H](C)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000338135172 171251045 /nfs/dbraw/zinc/25/10/45/171251045.db2.gz IPKXBEFBIBSONT-JTQLQIEISA-N 1 2 241.335 -0.029 20 0 BBADLO CC[C@@H](C)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000338135173 385902442 /nfs/dbraw/zinc/90/24/42/385902442.db2.gz IPKXBEFBIBSONT-SNVBAGLBSA-N 1 2 241.335 -0.029 20 0 BBADLO CC[C@@H](C)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000338135173 385902439 /nfs/dbraw/zinc/90/24/39/385902439.db2.gz IPKXBEFBIBSONT-SNVBAGLBSA-N 1 2 241.335 -0.029 20 0 BBADLO CC(C)(C(=O)NCCO)[NH+]1CCOCC1 ZINC000338135312 385903054 /nfs/dbraw/zinc/90/30/54/385903054.db2.gz QZPVOFVPBRFMFA-UHFFFAOYSA-N 1 2 216.281 -0.794 20 0 BBADLO CC(C)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000338135587 385902098 /nfs/dbraw/zinc/90/20/98/385902098.db2.gz RZZWBRFMWBIWFI-UHFFFAOYSA-N 1 2 227.308 -0.420 20 0 BBADLO CC(C)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000338135587 385902095 /nfs/dbraw/zinc/90/20/95/385902095.db2.gz RZZWBRFMWBIWFI-UHFFFAOYSA-N 1 2 227.308 -0.420 20 0 BBADLO CC(C)CC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000338136266 385903568 /nfs/dbraw/zinc/90/35/68/385903568.db2.gz UXXRCZCDAIKXMQ-UHFFFAOYSA-N 1 2 241.335 -0.029 20 0 BBADLO CC(C)CC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000338136266 385903563 /nfs/dbraw/zinc/90/35/63/385903563.db2.gz UXXRCZCDAIKXMQ-UHFFFAOYSA-N 1 2 241.335 -0.029 20 0 BBADLO COC(=O)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338137304 385902124 /nfs/dbraw/zinc/90/21/24/385902124.db2.gz RWGNNVRHLCPHLV-UHFFFAOYSA-N 1 2 244.291 -0.614 20 0 BBADLO CCC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000338137564 168227976 /nfs/dbraw/zinc/22/79/76/168227976.db2.gz YXURELDWELWVSU-UHFFFAOYSA-N 1 2 213.281 -0.666 20 0 BBADLO CCC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000338137564 168227974 /nfs/dbraw/zinc/22/79/74/168227974.db2.gz YXURELDWELWVSU-UHFFFAOYSA-N 1 2 213.281 -0.666 20 0 BBADLO C[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338146292 385904340 /nfs/dbraw/zinc/90/43/40/385904340.db2.gz GIFQQGCULOQWKN-SECBINFHSA-N 1 2 230.308 -0.406 20 0 BBADLO C[C@H](O)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338146293 385905304 /nfs/dbraw/zinc/90/53/04/385905304.db2.gz GIFQQGCULOQWKN-VIFPVBQESA-N 1 2 230.308 -0.406 20 0 BBADLO CCN(CCO)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338147721 169846274 /nfs/dbraw/zinc/84/62/74/169846274.db2.gz MTBXKDLOHKZCAG-UHFFFAOYSA-N 1 2 244.335 -0.062 20 0 BBADLO CN(CCO)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338147870 385901479 /nfs/dbraw/zinc/90/14/79/385901479.db2.gz PPNYYCXOFIKTDV-UHFFFAOYSA-N 1 2 230.308 -0.452 20 0 BBADLO CC(C)(C(=O)NCCCO)[NH+]1CCOCC1 ZINC000338149513 385905980 /nfs/dbraw/zinc/90/59/80/385905980.db2.gz GHHMZJFCSUSQSF-UHFFFAOYSA-N 1 2 230.308 -0.404 20 0 BBADLO C[C@H](CO)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338150693 385907310 /nfs/dbraw/zinc/90/73/10/385907310.db2.gz OFSFMTPQZNZQFF-SECBINFHSA-N 1 2 230.308 -0.406 20 0 BBADLO C[C@@H](CO)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338150696 385906276 /nfs/dbraw/zinc/90/62/76/385906276.db2.gz OFSFMTPQZNZQFF-VIFPVBQESA-N 1 2 230.308 -0.406 20 0 BBADLO COC1CN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338179728 174032621 /nfs/dbraw/zinc/03/26/21/174032621.db2.gz XOALSDNNBRRAAI-UHFFFAOYSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@@H](CCO)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338185245 385917044 /nfs/dbraw/zinc/91/70/44/385917044.db2.gz ZHSZMPKQMKZYNL-JTQLQIEISA-N 1 2 244.335 -0.016 20 0 BBADLO C[C@H](CCO)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338185246 385917157 /nfs/dbraw/zinc/91/71/57/385917157.db2.gz ZHSZMPKQMKZYNL-SNVBAGLBSA-N 1 2 244.335 -0.016 20 0 BBADLO CC(C)(C(=O)NCCC(N)=O)[NH+]1CCOCC1 ZINC000338185400 385917848 /nfs/dbraw/zinc/91/78/48/385917848.db2.gz GEBJUCRKQXIXBV-UHFFFAOYSA-N 1 2 243.307 -0.911 20 0 BBADLO CC[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC000338204374 385914277 /nfs/dbraw/zinc/91/42/77/385914277.db2.gz JUNBMVOTGKKMFK-BDAKNGLRSA-N 1 2 248.348 -0.370 20 0 BBADLO CC[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC000338204377 171234413 /nfs/dbraw/zinc/23/44/13/171234413.db2.gz JUNBMVOTGKKMFK-DTWKUNHWSA-N 1 2 248.348 -0.370 20 0 BBADLO CC[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC000338204379 385914071 /nfs/dbraw/zinc/91/40/71/385914071.db2.gz JUNBMVOTGKKMFK-IUCAKERBSA-N 1 2 248.348 -0.370 20 0 BBADLO CC[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC000338204383 171233087 /nfs/dbraw/zinc/23/30/87/171233087.db2.gz JUNBMVOTGKKMFK-RKDXNWHRSA-N 1 2 248.348 -0.370 20 0 BBADLO CC(C)(C(=O)N1CC(O)C1)[NH+]1CCOCC1 ZINC000338204805 385915396 /nfs/dbraw/zinc/91/53/96/385915396.db2.gz IAZYILBMBSNOHV-UHFFFAOYSA-N 1 2 228.292 -0.700 20 0 BBADLO CC(C)(C(=O)NCCCCO)[NH+]1CCOCC1 ZINC000338208151 385923409 /nfs/dbraw/zinc/92/34/09/385923409.db2.gz RUKIABMCDUMILR-UHFFFAOYSA-N 1 2 244.335 -0.014 20 0 BBADLO CC[C@@H](CO)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338224008 385919811 /nfs/dbraw/zinc/91/98/11/385919811.db2.gz AFZHOZRLZWLYSG-JTQLQIEISA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@H](CO)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338224010 385918641 /nfs/dbraw/zinc/91/86/41/385918641.db2.gz AFZHOZRLZWLYSG-SNVBAGLBSA-N 1 2 244.335 -0.016 20 0 BBADLO CC(C)(C(=O)N1CC[C@H](O)C1)[NH+]1CCOCC1 ZINC000338226622 385923003 /nfs/dbraw/zinc/92/30/03/385923003.db2.gz PWYCNIGAMMZMGN-JTQLQIEISA-N 1 2 242.319 -0.310 20 0 BBADLO CC(C)(C(=O)N1CC[C@@H](O)C1)[NH+]1CCOCC1 ZINC000338226623 385922137 /nfs/dbraw/zinc/92/21/37/385922137.db2.gz PWYCNIGAMMZMGN-SNVBAGLBSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H]1COCC[N@@H+](Cc2nc(N)nc(N)n2)C1 ZINC000338254439 177289298 /nfs/dbraw/zinc/28/92/98/177289298.db2.gz VEIGGRAYNVTMPG-SSDOTTSWSA-N 1 2 238.295 -0.835 20 0 BBADLO C[C@H]1COCC[N@H+](Cc2nc(N)nc(N)n2)C1 ZINC000338254439 177289297 /nfs/dbraw/zinc/28/92/97/177289297.db2.gz VEIGGRAYNVTMPG-SSDOTTSWSA-N 1 2 238.295 -0.835 20 0 BBADLO C[C@@H]1COCC[N@@H+](Cc2nc(N)nc(N)n2)C1 ZINC000338254458 176332789 /nfs/dbraw/zinc/33/27/89/176332789.db2.gz VEIGGRAYNVTMPG-ZETCQYMHSA-N 1 2 238.295 -0.835 20 0 BBADLO C[C@@H]1COCC[N@H+](Cc2nc(N)nc(N)n2)C1 ZINC000338254458 176332788 /nfs/dbraw/zinc/33/27/88/176332788.db2.gz VEIGGRAYNVTMPG-ZETCQYMHSA-N 1 2 238.295 -0.835 20 0 BBADLO CS(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000338260979 385939371 /nfs/dbraw/zinc/93/93/71/385939371.db2.gz FNCVHYAOVYNWDV-JTQLQIEISA-N 1 2 248.348 -0.400 20 0 BBADLO CS(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000338260980 385937525 /nfs/dbraw/zinc/93/75/25/385937525.db2.gz FNCVHYAOVYNWDV-SNVBAGLBSA-N 1 2 248.348 -0.400 20 0 BBADLO CNC(=O)C[N@@H+](C)Cc1ccc(OC)nn1 ZINC000338261294 173270177 /nfs/dbraw/zinc/27/01/77/173270177.db2.gz DBXMMUFJESFWNK-UHFFFAOYSA-N 1 2 224.264 -0.337 20 0 BBADLO CNC(=O)C[N@H+](C)Cc1ccc(OC)nn1 ZINC000338261294 173270175 /nfs/dbraw/zinc/27/01/75/173270175.db2.gz DBXMMUFJESFWNK-UHFFFAOYSA-N 1 2 224.264 -0.337 20 0 BBADLO COc1ccc(C[N@@H+](C)[C@@H]2CCNC2=O)nn1 ZINC000338271937 175096113 /nfs/dbraw/zinc/09/61/13/175096113.db2.gz BBWOZMZHSWLGTI-SECBINFHSA-N 1 2 236.275 -0.195 20 0 BBADLO COc1ccc(C[N@H+](C)[C@@H]2CCNC2=O)nn1 ZINC000338271937 175096112 /nfs/dbraw/zinc/09/61/12/175096112.db2.gz BBWOZMZHSWLGTI-SECBINFHSA-N 1 2 236.275 -0.195 20 0 BBADLO COc1ccc(C[N@@H+](C)[C@H]2CCNC2=O)nn1 ZINC000338271938 188365444 /nfs/dbraw/zinc/36/54/44/188365444.db2.gz BBWOZMZHSWLGTI-VIFPVBQESA-N 1 2 236.275 -0.195 20 0 BBADLO COc1ccc(C[N@H+](C)[C@H]2CCNC2=O)nn1 ZINC000338271938 188365442 /nfs/dbraw/zinc/36/54/42/188365442.db2.gz BBWOZMZHSWLGTI-VIFPVBQESA-N 1 2 236.275 -0.195 20 0 BBADLO CN(CCCO)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338278131 385939678 /nfs/dbraw/zinc/93/96/78/385939678.db2.gz JPFOAPIDSRBDAX-UHFFFAOYSA-N 1 2 244.335 -0.062 20 0 BBADLO O=C(C1CC1)[C@H]1C[N@@H+](CCOCCO)CCO1 ZINC000338279239 385939182 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/nfs/dbraw/zinc/25/41/35/173254135.db2.gz QKFKVOFJZJBYOR-SNVBAGLBSA-N 1 2 240.303 -0.198 20 0 BBADLO CNC(=O)CC[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338285395 173254133 /nfs/dbraw/zinc/25/41/33/173254133.db2.gz QKFKVOFJZJBYOR-SNVBAGLBSA-N 1 2 240.303 -0.198 20 0 BBADLO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC000338297524 170269859 /nfs/dbraw/zinc/26/98/59/170269859.db2.gz QCCVZKZOVAKBDL-HTQZYQBOSA-N 1 2 241.295 -0.113 20 0 BBADLO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC000338297531 170249305 /nfs/dbraw/zinc/24/93/05/170249305.db2.gz QCCVZKZOVAKBDL-JGVFFNPUSA-N 1 2 241.295 -0.113 20 0 BBADLO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC000338297547 170270813 /nfs/dbraw/zinc/27/08/13/170270813.db2.gz QCCVZKZOVAKBDL-SFYZADRCSA-N 1 2 241.295 -0.113 20 0 BBADLO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC000338297555 170249363 /nfs/dbraw/zinc/24/93/63/170249363.db2.gz QCCVZKZOVAKBDL-YUMQZZPRSA-N 1 2 241.295 -0.113 20 0 BBADLO CC(=O)N1CC[NH+](CCN2CCCC2=O)CC1 ZINC000338354291 187327812 /nfs/dbraw/zinc/32/78/12/187327812.db2.gz JFHBZXZVNBGEGU-UHFFFAOYSA-N 1 2 239.319 -0.227 20 0 BBADLO CC[N@@H+](CC(N)=O)Cc1ccc(OC)nn1 ZINC000338360287 169742869 /nfs/dbraw/zinc/74/28/69/169742869.db2.gz QIVFMBLGQSLJRD-UHFFFAOYSA-N 1 2 224.264 -0.208 20 0 BBADLO CC[N@H+](CC(N)=O)Cc1ccc(OC)nn1 ZINC000338360287 169742868 /nfs/dbraw/zinc/74/28/68/169742868.db2.gz QIVFMBLGQSLJRD-UHFFFAOYSA-N 1 2 224.264 -0.208 20 0 BBADLO O=C1NCCCC[C@@H]1[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338363290 385988702 /nfs/dbraw/zinc/98/87/02/385988702.db2.gz SSDXNXQXZOSDHC-AXFHLTTASA-N 1 2 240.303 -0.245 20 0 BBADLO O=C1NCCCC[C@@H]1[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338363290 385988697 /nfs/dbraw/zinc/98/86/97/385988697.db2.gz SSDXNXQXZOSDHC-AXFHLTTASA-N 1 2 240.303 -0.245 20 0 BBADLO O=C1NCCCC[C@H]1[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338363291 385986634 /nfs/dbraw/zinc/98/66/34/385986634.db2.gz SSDXNXQXZOSDHC-OUAUKWLOSA-N 1 2 240.303 -0.245 20 0 BBADLO O=C1NCCCC[C@H]1[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338363291 385986632 /nfs/dbraw/zinc/98/66/32/385986632.db2.gz SSDXNXQXZOSDHC-OUAUKWLOSA-N 1 2 240.303 -0.245 20 0 BBADLO CN1CC[C@H]([N@H+]2C[C@@H]3COC[C@H](C2)O3)C1=O ZINC000338364536 173150225 /nfs/dbraw/zinc/15/02/25/173150225.db2.gz AFVLOKCCXMLYNU-AEJSXWLSSA-N 1 2 226.276 -0.683 20 0 BBADLO CN1CC[C@H]([N@@H+]2C[C@@H]3COC[C@H](C2)O3)C1=O ZINC000338364536 173150224 /nfs/dbraw/zinc/15/02/24/173150224.db2.gz AFVLOKCCXMLYNU-AEJSXWLSSA-N 1 2 226.276 -0.683 20 0 BBADLO CN1CC[C@@H]([N@H+]2C[C@@H]3COC[C@H](C2)O3)C1=O ZINC000338364537 173121560 /nfs/dbraw/zinc/12/15/60/173121560.db2.gz AFVLOKCCXMLYNU-KXUCPTDWSA-N 1 2 226.276 -0.683 20 0 BBADLO CN1CC[C@@H]([N@@H+]2C[C@@H]3COC[C@H](C2)O3)C1=O ZINC000338364537 173121559 /nfs/dbraw/zinc/12/15/59/173121559.db2.gz AFVLOKCCXMLYNU-KXUCPTDWSA-N 1 2 226.276 -0.683 20 0 BBADLO CN(C)C(=O)C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338364665 172367572 /nfs/dbraw/zinc/36/75/72/172367572.db2.gz 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/nfs/dbraw/zinc/97/99/30/385979930.db2.gz UZMMRTMYJGPFIJ-PHIMTYICSA-N 1 2 240.303 -0.292 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338371883 385981601 /nfs/dbraw/zinc/98/16/01/385981601.db2.gz QVUMOKVKTXVSJX-BBBLOLIVSA-N 1 2 228.292 -0.437 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338371883 385981597 /nfs/dbraw/zinc/98/15/97/385981597.db2.gz QVUMOKVKTXVSJX-BBBLOLIVSA-N 1 2 228.292 -0.437 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338371904 385981565 /nfs/dbraw/zinc/98/15/65/385981565.db2.gz QVUMOKVKTXVSJX-LPEHRKFASA-N 1 2 228.292 -0.437 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338371904 385981560 /nfs/dbraw/zinc/98/15/60/385981560.db2.gz QVUMOKVKTXVSJX-LPEHRKFASA-N 1 2 228.292 -0.437 20 0 BBADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338371913 188016914 /nfs/dbraw/zinc/01/69/14/188016914.db2.gz QYBPWUGJFHDVRF-PHIMTYICSA-N 1 2 242.319 -0.047 20 0 BBADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338371913 188016912 /nfs/dbraw/zinc/01/69/12/188016912.db2.gz QYBPWUGJFHDVRF-PHIMTYICSA-N 1 2 242.319 -0.047 20 0 BBADLO CCN(C)C(=O)C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338372663 385980920 /nfs/dbraw/zinc/98/09/20/385980920.db2.gz SRCPQYYQGAUUQN-AOOOYVTPSA-N 1 2 228.292 -0.436 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338372663 385980915 /nfs/dbraw/zinc/98/09/15/385980915.db2.gz SRCPQYYQGAUUQN-AOOOYVTPSA-N 1 2 228.292 -0.436 20 0 BBADLO CCN(CC)C(=O)C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338372871 385980540 /nfs/dbraw/zinc/98/05/40/385980540.db2.gz QEQPDYZKLIARBI-PHIMTYICSA-N 1 2 242.319 -0.046 20 0 BBADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338372871 385980534 /nfs/dbraw/zinc/98/05/34/385980534.db2.gz QEQPDYZKLIARBI-PHIMTYICSA-N 1 2 242.319 -0.046 20 0 BBADLO CN(C(=O)C[N@H+]1C[C@@H]2COC[C@H](C1)O2)C1CC1 ZINC000338380100 172309803 /nfs/dbraw/zinc/30/98/03/172309803.db2.gz QPPJICOCHBIGHF-PHIMTYICSA-N 1 2 240.303 -0.293 20 0 BBADLO CN(C(=O)C[N@@H+]1C[C@@H]2COC[C@H](C1)O2)C1CC1 ZINC000338380100 172309800 /nfs/dbraw/zinc/30/98/00/172309800.db2.gz QPPJICOCHBIGHF-PHIMTYICSA-N 1 2 240.303 -0.293 20 0 BBADLO O=C(C[N@H+]1C[C@@H]2COC[C@H](C1)O2)N1CCC1 ZINC000338390578 385991017 /nfs/dbraw/zinc/99/10/17/385991017.db2.gz VFHFEOXZZPDDBV-AOOOYVTPSA-N 1 2 226.276 -0.682 20 0 BBADLO O=C(C[N@@H+]1C[C@@H]2COC[C@H](C1)O2)N1CCC1 ZINC000338390578 385991007 /nfs/dbraw/zinc/99/10/07/385991007.db2.gz VFHFEOXZZPDDBV-AOOOYVTPSA-N 1 2 226.276 -0.682 20 0 BBADLO Cn1[nH]cnc1=NC(=O)NCc1ccc(N)[nH+]c1 ZINC000338420872 411359477 /nfs/dbraw/zinc/35/94/77/411359477.db2.gz GQNFIHKVCLPILH-UHFFFAOYSA-N 1 2 247.262 -0.464 20 0 BBADLO COc1cnc(C(=O)N2CC[NH+](C)CC2)nc1 ZINC000338441471 188016990 /nfs/dbraw/zinc/01/69/90/188016990.db2.gz AFUYGVKZGPBCLW-UHFFFAOYSA-N 1 2 236.275 -0.127 20 0 BBADLO COc1nccc(NC(=O)NCc2[nH]cc[nH+]2)n1 ZINC000338447954 411777750 /nfs/dbraw/zinc/77/77/50/411777750.db2.gz 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YQYBEFSWGSLYNJ-JTQLQIEISA-N 1 2 247.270 -0.762 20 0 BBADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@](F)(CO)C1 ZINC000338628255 170076504 /nfs/dbraw/zinc/07/65/04/170076504.db2.gz YQYBEFSWGSLYNJ-SNVBAGLBSA-N 1 2 247.270 -0.762 20 0 BBADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338628255 170076502 /nfs/dbraw/zinc/07/65/02/170076502.db2.gz YQYBEFSWGSLYNJ-SNVBAGLBSA-N 1 2 247.270 -0.762 20 0 BBADLO CCNC(=O)C[N@H+]1CC[C@](F)(CO)C1 ZINC000338628856 170060962 /nfs/dbraw/zinc/06/09/62/170060962.db2.gz XHYJWIHBMJVKCH-SECBINFHSA-N 1 2 204.245 -0.471 20 0 BBADLO CCNC(=O)C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338628856 170060960 /nfs/dbraw/zinc/06/09/60/170060960.db2.gz XHYJWIHBMJVKCH-SECBINFHSA-N 1 2 204.245 -0.471 20 0 BBADLO CCNC(=O)C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338629157 170061454 /nfs/dbraw/zinc/06/14/54/170061454.db2.gz XHYJWIHBMJVKCH-VIFPVBQESA-N 1 2 204.245 -0.471 20 0 BBADLO CCNC(=O)C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338629157 170061452 /nfs/dbraw/zinc/06/14/52/170061452.db2.gz XHYJWIHBMJVKCH-VIFPVBQESA-N 1 2 204.245 -0.471 20 0 BBADLO CN(C)C(=O)C[N@H+]1CC[C@](F)(CO)C1 ZINC000338630063 172365866 /nfs/dbraw/zinc/36/58/66/172365866.db2.gz DCKMFCWMHYSRCB-SECBINFHSA-N 1 2 204.245 -0.519 20 0 BBADLO CN(C)C(=O)C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338630063 172365864 /nfs/dbraw/zinc/36/58/64/172365864.db2.gz DCKMFCWMHYSRCB-SECBINFHSA-N 1 2 204.245 -0.519 20 0 BBADLO CN(C)C(=O)C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338630064 172365456 /nfs/dbraw/zinc/36/54/56/172365456.db2.gz DCKMFCWMHYSRCB-VIFPVBQESA-N 1 2 204.245 -0.519 20 0 BBADLO CN(C)C(=O)C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338630064 172365454 /nfs/dbraw/zinc/36/54/54/172365454.db2.gz DCKMFCWMHYSRCB-VIFPVBQESA-N 1 2 204.245 -0.519 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)N2CCOCC23CC3)C1 ZINC000338689756 173108416 /nfs/dbraw/zinc/10/84/16/173108416.db2.gz BIMXODPDZUKPRD-JTQLQIEISA-N 1 2 240.303 -0.292 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)N2CCOCC23CC3)C1 ZINC000338689756 173108415 /nfs/dbraw/zinc/10/84/15/173108415.db2.gz BIMXODPDZUKPRD-JTQLQIEISA-N 1 2 240.303 -0.292 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)N2CCOCC23CC3)C1 ZINC000338689758 173100300 /nfs/dbraw/zinc/10/03/00/173100300.db2.gz BIMXODPDZUKPRD-SNVBAGLBSA-N 1 2 240.303 -0.292 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCOCC23CC3)C1 ZINC000338689758 173100296 /nfs/dbraw/zinc/10/02/96/173100296.db2.gz BIMXODPDZUKPRD-SNVBAGLBSA-N 1 2 240.303 -0.292 20 0 BBADLO C[C@H](CO)N(C)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000338690442 386104604 /nfs/dbraw/zinc/10/46/04/386104604.db2.gz WXABPJQLIKAEOO-GHMZBOCLSA-N 1 2 243.351 -0.539 20 0 BBADLO C[C@H](CO)N(C)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000338690443 386102611 /nfs/dbraw/zinc/10/26/11/386102611.db2.gz WXABPJQLIKAEOO-MNOVXSKESA-N 1 2 243.351 -0.539 20 0 BBADLO C[C@@H](CO)N(C)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000338690444 386102564 /nfs/dbraw/zinc/10/25/64/386102564.db2.gz WXABPJQLIKAEOO-QWRGUYRKSA-N 1 2 243.351 -0.539 20 0 BBADLO C[C@H](C(=O)N(C)[C@@H](C)CO)[NH+]1CCN(C)CC1 ZINC000338690445 386102641 /nfs/dbraw/zinc/10/26/41/386102641.db2.gz WXABPJQLIKAEOO-WDEREUQCSA-N 1 2 243.351 -0.539 20 0 BBADLO CCOC(=O)CC[N@@H+](C)Cc1nnnn1C ZINC000338787193 170204403 /nfs/dbraw/zinc/20/44/03/170204403.db2.gz LWQAKEAYTHOWBF-UHFFFAOYSA-N 1 2 227.268 -0.405 20 0 BBADLO CCOC(=O)CC[N@H+](C)Cc1nnnn1C ZINC000338787193 170204402 /nfs/dbraw/zinc/20/44/02/170204402.db2.gz LWQAKEAYTHOWBF-UHFFFAOYSA-N 1 2 227.268 -0.405 20 0 BBADLO COC(=O)CC[N@@H+](C)Cc1nnnn1C ZINC000338792749 386143144 /nfs/dbraw/zinc/14/31/44/386143144.db2.gz WYBSKPFLYYNVSJ-UHFFFAOYSA-N 1 2 213.241 -0.795 20 0 BBADLO COC(=O)CC[N@H+](C)Cc1nnnn1C ZINC000338792749 386143137 /nfs/dbraw/zinc/14/31/37/386143137.db2.gz WYBSKPFLYYNVSJ-UHFFFAOYSA-N 1 2 213.241 -0.795 20 0 BBADLO CNC(=O)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000338857480 173275763 /nfs/dbraw/zinc/27/57/63/173275763.db2.gz SWTOMIFQDPTWCJ-UHFFFAOYSA-N 1 2 246.270 -0.261 20 0 BBADLO CN(CC(N)=O)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000338868949 172633895 /nfs/dbraw/zinc/63/38/95/172633895.db2.gz BSGWNZOFZJRULH-UHFFFAOYSA-N 1 2 246.270 -0.180 20 0 BBADLO CCOC(=O)C[N@@H+](CCOC)C[C@@H](C)O ZINC000338920247 170217993 /nfs/dbraw/zinc/21/79/93/170217993.db2.gz KHPKFBZXYMGWRO-SECBINFHSA-N 1 2 219.281 -0.121 20 0 BBADLO CCOC(=O)C[N@H+](CCOC)C[C@@H](C)O ZINC000338920247 170217992 /nfs/dbraw/zinc/21/79/92/170217992.db2.gz KHPKFBZXYMGWRO-SECBINFHSA-N 1 2 219.281 -0.121 20 0 BBADLO CCOC(=O)C[N@@H+](CCOC)C[C@H](C)O ZINC000338920249 170218210 /nfs/dbraw/zinc/21/82/10/170218210.db2.gz KHPKFBZXYMGWRO-VIFPVBQESA-N 1 2 219.281 -0.121 20 0 BBADLO CCOC(=O)C[N@H+](CCOC)C[C@H](C)O ZINC000338920249 170218209 /nfs/dbraw/zinc/21/82/09/170218209.db2.gz KHPKFBZXYMGWRO-VIFPVBQESA-N 1 2 219.281 -0.121 20 0 BBADLO C[C@@H]1CN(C(=O)C[N@@H+](C)CC(N)=O)C[C@H](C)O1 ZINC000338934098 177216946 /nfs/dbraw/zinc/21/69/46/177216946.db2.gz DDBBTSRYVNDUPT-DTORHVGOSA-N 1 2 243.307 -0.961 20 0 BBADLO C[C@@H]1CN(C(=O)C[N@H+](C)CC(N)=O)C[C@H](C)O1 ZINC000338934098 177216944 /nfs/dbraw/zinc/21/69/44/177216944.db2.gz DDBBTSRYVNDUPT-DTORHVGOSA-N 1 2 243.307 -0.961 20 0 BBADLO C[C@H]1CN(C(=O)C[N@@H+](C)CC(N)=O)C[C@H](C)O1 ZINC000338934099 177216235 /nfs/dbraw/zinc/21/62/35/177216235.db2.gz DDBBTSRYVNDUPT-IUCAKERBSA-N 1 2 243.307 -0.961 20 0 BBADLO C[C@H]1CN(C(=O)C[N@H+](C)CC(N)=O)C[C@H](C)O1 ZINC000338934099 177216233 /nfs/dbraw/zinc/21/62/33/177216233.db2.gz DDBBTSRYVNDUPT-IUCAKERBSA-N 1 2 243.307 -0.961 20 0 BBADLO C[C@@H]1CN(C(=O)C[N@@H+](C)CC(N)=O)C[C@@H](C)O1 ZINC000338934100 176246201 /nfs/dbraw/zinc/24/62/01/176246201.db2.gz DDBBTSRYVNDUPT-RKDXNWHRSA-N 1 2 243.307 -0.961 20 0 BBADLO C[C@@H]1CN(C(=O)C[N@H+](C)CC(N)=O)C[C@@H](C)O1 ZINC000338934100 176246199 /nfs/dbraw/zinc/24/61/99/176246199.db2.gz DDBBTSRYVNDUPT-RKDXNWHRSA-N 1 2 243.307 -0.961 20 0 BBADLO C[C@@H]1CN(S(=O)(=O)C2COC2)C[C@H](C)[N@@H+]1C ZINC000339066803 177272682 /nfs/dbraw/zinc/27/26/82/177272682.db2.gz KOTWBUAMYFDCGH-DTORHVGOSA-N 1 2 248.348 -0.261 20 0 BBADLO C[C@@H]1CN(S(=O)(=O)C2COC2)C[C@H](C)[N@H+]1C ZINC000339066803 177272681 /nfs/dbraw/zinc/27/26/81/177272681.db2.gz KOTWBUAMYFDCGH-DTORHVGOSA-N 1 2 248.348 -0.261 20 0 BBADLO C[C@H]1CN(S(=O)(=O)C2COC2)C[C@H](C)[NH+]1C ZINC000339066804 177273275 /nfs/dbraw/zinc/27/32/75/177273275.db2.gz KOTWBUAMYFDCGH-IUCAKERBSA-N 1 2 248.348 -0.261 20 0 BBADLO C[C@@H]1CN(S(=O)(=O)C2COC2)C[C@@H](C)[NH+]1C ZINC000339066805 176313365 /nfs/dbraw/zinc/31/33/65/176313365.db2.gz KOTWBUAMYFDCGH-RKDXNWHRSA-N 1 2 248.348 -0.261 20 0 BBADLO C[C@@H]1CN(S(=O)(=O)N2CCC2)C[C@H](C)[N@@H+]1C ZINC000339074655 177272981 /nfs/dbraw/zinc/27/29/81/177272981.db2.gz RHSXMCRXTZREAY-AOOOYVTPSA-N 1 2 247.364 -0.039 20 0 BBADLO C[C@@H]1CN(S(=O)(=O)N2CCC2)C[C@H](C)[N@H+]1C ZINC000339074655 177272979 /nfs/dbraw/zinc/27/29/79/177272979.db2.gz RHSXMCRXTZREAY-AOOOYVTPSA-N 1 2 247.364 -0.039 20 0 BBADLO C[C@@H]1CN(S(=O)(=O)N2CCC2)C[C@@H](C)[NH+]1C ZINC000339074656 176314281 /nfs/dbraw/zinc/31/42/81/176314281.db2.gz RHSXMCRXTZREAY-NXEZZACHSA-N 1 2 247.364 -0.039 20 0 BBADLO C[C@H]1CN(S(=O)(=O)N2CCC2)C[C@H](C)[NH+]1C ZINC000339074657 177272667 /nfs/dbraw/zinc/27/26/67/177272667.db2.gz RHSXMCRXTZREAY-UWVGGRQHSA-N 1 2 247.364 -0.039 20 0 BBADLO CC[C@@H](O)C[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000339089214 350731773 /nfs/dbraw/zinc/73/17/73/350731773.db2.gz YVZYBCUZLJYLCF-SSDOTTSWSA-N 1 2 212.253 -0.430 20 0 BBADLO CC[C@@H](O)C[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000339089214 350731770 /nfs/dbraw/zinc/73/17/70/350731770.db2.gz YVZYBCUZLJYLCF-SSDOTTSWSA-N 1 2 212.253 -0.430 20 0 BBADLO CC[C@H](O)C[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000339089221 386241025 /nfs/dbraw/zinc/24/10/25/386241025.db2.gz YVZYBCUZLJYLCF-ZETCQYMHSA-N 1 2 212.253 -0.430 20 0 BBADLO CC[C@H](O)C[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000339089221 386241019 /nfs/dbraw/zinc/24/10/19/386241019.db2.gz YVZYBCUZLJYLCF-ZETCQYMHSA-N 1 2 212.253 -0.430 20 0 BBADLO COC(=O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC000339089919 386240434 /nfs/dbraw/zinc/24/04/34/386240434.db2.gz GVOIJKDPBSKHOZ-UHFFFAOYSA-N 1 2 239.275 -0.016 20 0 BBADLO Cc1[nH]c(C(=O)NCCCC(N)=O)c[nH+]1 ZINC000339183765 180130536 /nfs/dbraw/zinc/13/05/36/180130536.db2.gz PDPQXOFQQDCVSY-UHFFFAOYSA-N 1 2 210.237 -0.287 20 0 BBADLO CCCCC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000339212411 386303867 /nfs/dbraw/zinc/30/38/67/386303867.db2.gz CZWLGKHAWAUWPS-LLVKDONJSA-N 1 2 244.335 -0.014 20 0 BBADLO CCCCC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000339212412 386303583 /nfs/dbraw/zinc/30/35/83/386303583.db2.gz CZWLGKHAWAUWPS-NSHDSACASA-N 1 2 244.335 -0.014 20 0 BBADLO CCCC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000339212962 386303665 /nfs/dbraw/zinc/30/36/65/386303665.db2.gz FTFOYKMCCJDAAZ-JTQLQIEISA-N 1 2 230.308 -0.404 20 0 BBADLO CCCC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000339212963 386303385 /nfs/dbraw/zinc/30/33/85/386303385.db2.gz FTFOYKMCCJDAAZ-SNVBAGLBSA-N 1 2 230.308 -0.404 20 0 BBADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)C1CCC1 ZINC000339214068 182288037 /nfs/dbraw/zinc/28/80/37/182288037.db2.gz ZJFHGPQHYHPZQF-LLVKDONJSA-N 1 2 242.319 -0.404 20 0 BBADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)C1CCC1 ZINC000339214069 182324601 /nfs/dbraw/zinc/32/46/01/182324601.db2.gz ZJFHGPQHYHPZQF-NSHDSACASA-N 1 2 242.319 -0.404 20 0 BBADLO CNC(=O)CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000339226236 173259302 /nfs/dbraw/zinc/25/93/02/173259302.db2.gz CFGXHQJUBOPMCU-UHFFFAOYSA-N 1 2 210.237 -0.416 20 0 BBADLO Cc1[nH]c(C(=O)N[C@@H]2CCC(=O)NC2)c[nH+]1 ZINC000339226266 180132434 /nfs/dbraw/zinc/13/24/34/180132434.db2.gz KILZAIFDFFIPJT-SSDOTTSWSA-N 1 2 222.248 -0.273 20 0 BBADLO Cc1[nH]c(C(=O)N[C@H]2CCC(=O)NC2)c[nH+]1 ZINC000339226267 180133909 /nfs/dbraw/zinc/13/39/09/180133909.db2.gz KILZAIFDFFIPJT-ZETCQYMHSA-N 1 2 222.248 -0.273 20 0 BBADLO Cc1[nH]c(C(=O)N[C@H](C)CC(N)=O)c[nH+]1 ZINC000339226584 180133822 /nfs/dbraw/zinc/13/38/22/180133822.db2.gz USYYULACNUTHJH-RXMQYKEDSA-N 1 2 210.237 -0.288 20 0 BBADLO Cc1[nH]c(C(=O)N[C@@H](C)CC(N)=O)c[nH+]1 ZINC000339226585 180132503 /nfs/dbraw/zinc/13/25/03/180132503.db2.gz USYYULACNUTHJH-YFKPBYRVSA-N 1 2 210.237 -0.288 20 0 BBADLO C[C@H](CC(N)=O)C(=O)NCCCn1cc[nH+]c1 ZINC000339229447 386307659 /nfs/dbraw/zinc/30/76/59/386307659.db2.gz HWXVAHFZGAWACA-SECBINFHSA-N 1 2 238.291 -0.099 20 0 BBADLO C[C@@H](CC(N)=O)C(=O)NCCCn1cc[nH+]c1 ZINC000339229451 386306701 /nfs/dbraw/zinc/30/67/01/386306701.db2.gz HWXVAHFZGAWACA-VIFPVBQESA-N 1 2 238.291 -0.099 20 0 BBADLO CCOC(=O)C[C@@H](O)C(=O)N1CC[NH+](C)CC1 ZINC000339230366 170232181 /nfs/dbraw/zinc/23/21/81/170232181.db2.gz LKLOPZFGNCQSEH-SECBINFHSA-N 1 2 244.291 -0.926 20 0 BBADLO CCOC(=O)C[C@H](O)C(=O)N1CC[NH+](C)CC1 ZINC000339230368 170233997 /nfs/dbraw/zinc/23/39/97/170233997.db2.gz LKLOPZFGNCQSEH-VIFPVBQESA-N 1 2 244.291 -0.926 20 0 BBADLO Cc1[nH]c(C(=O)NCCn2cncn2)c[nH+]1 ZINC000339231061 180130551 /nfs/dbraw/zinc/13/05/51/180130551.db2.gz QYRQLOUCYYUIGV-UHFFFAOYSA-N 1 2 220.236 -0.260 20 0 BBADLO Cc1[nH]c(C(=O)N[C@@H](C)CS(C)(=O)=O)c[nH+]1 ZINC000339265324 180132620 /nfs/dbraw/zinc/13/26/20/180132620.db2.gz OSUFGWXJKVXJBP-LURJTMIESA-N 1 2 245.304 -0.119 20 0 BBADLO Cc1[nH]c(C(=O)N[C@H](C)CS(C)(=O)=O)c[nH+]1 ZINC000339265326 180134196 /nfs/dbraw/zinc/13/41/96/180134196.db2.gz OSUFGWXJKVXJBP-ZCFIWIBFSA-N 1 2 245.304 -0.119 20 0 BBADLO Cc1[nH]c(C(=O)NCCC(=O)NC(N)=O)c[nH+]1 ZINC000339269669 180130002 /nfs/dbraw/zinc/13/00/02/180130002.db2.gz WGGZMXZTSQAREU-UHFFFAOYSA-N 1 2 239.235 -0.967 20 0 BBADLO COC[C@@H](O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000339271932 386336354 /nfs/dbraw/zinc/33/63/54/386336354.db2.gz MMKYMHXXKWRCNL-ZETCQYMHSA-N 1 2 213.237 -0.545 20 0 BBADLO CCOC(=O)C[C@@H](O)C(=O)NCc1[nH]cc[nH+]1 ZINC000339274213 170232100 /nfs/dbraw/zinc/23/21/00/170232100.db2.gz ZDHUTNXLUKGXLR-SSDOTTSWSA-N 1 2 241.247 -0.660 20 0 BBADLO CCOC(=O)C[C@H](O)C(=O)NCc1[nH]cc[nH+]1 ZINC000339274214 170233836 /nfs/dbraw/zinc/23/38/36/170233836.db2.gz ZDHUTNXLUKGXLR-ZETCQYMHSA-N 1 2 241.247 -0.660 20 0 BBADLO CCOC[C@H](O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000339282718 170453630 /nfs/dbraw/zinc/45/36/30/170453630.db2.gz BCNMERPKXRNMHM-MRVPVSSYSA-N 1 2 227.264 -0.155 20 0 BBADLO CCOC[C@@H](O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000339282719 170438366 /nfs/dbraw/zinc/43/83/66/170438366.db2.gz BCNMERPKXRNMHM-QMMMGPOBSA-N 1 2 227.264 -0.155 20 0 BBADLO Cc1[nH]c(C(=O)NCCCS(N)(=O)=O)c[nH+]1 ZINC000339288636 180130362 /nfs/dbraw/zinc/13/03/62/180130362.db2.gz DCQXFDHDNTZBKM-UHFFFAOYSA-N 1 2 246.292 -0.873 20 0 BBADLO Cc1[nH]c(C(=O)NCCc2nc(N)no2)c[nH+]1 ZINC000339290731 411979107 /nfs/dbraw/zinc/97/91/07/411979107.db2.gz RNQOBWRHZBJRMK-UHFFFAOYSA-N 1 2 236.235 -0.344 20 0 BBADLO Cc1[nH]c(C(=O)NCc2cc(C(N)=O)no2)c[nH+]1 ZINC000339291098 180131603 /nfs/dbraw/zinc/13/16/03/180131603.db2.gz QXTCLMOVUFSFLB-UHFFFAOYSA-N 1 2 249.230 -0.265 20 0 BBADLO COCCn1nnc2c1CC[N@@H+](C[C@@H](C)O)C2 ZINC000339295631 386357260 /nfs/dbraw/zinc/35/72/60/386357260.db2.gz DSOAHUBPCVHJCD-SECBINFHSA-N 1 2 240.307 -0.337 20 0 BBADLO COCCn1nnc2c1CC[N@H+](C[C@@H](C)O)C2 ZINC000339295631 386357257 /nfs/dbraw/zinc/35/72/57/386357257.db2.gz DSOAHUBPCVHJCD-SECBINFHSA-N 1 2 240.307 -0.337 20 0 BBADLO COCCn1nnc2c1CC[N@@H+](C[C@H](C)O)C2 ZINC000339295632 386356754 /nfs/dbraw/zinc/35/67/54/386356754.db2.gz DSOAHUBPCVHJCD-VIFPVBQESA-N 1 2 240.307 -0.337 20 0 BBADLO COCCn1nnc2c1CC[N@H+](C[C@H](C)O)C2 ZINC000339295632 386356748 /nfs/dbraw/zinc/35/67/48/386356748.db2.gz DSOAHUBPCVHJCD-VIFPVBQESA-N 1 2 240.307 -0.337 20 0 BBADLO Cn1cc[nH+]c1CNC(=O)C(=O)N1CCCC1 ZINC000339297853 386363124 /nfs/dbraw/zinc/36/31/24/386363124.db2.gz JITUYILFUPTJFO-UHFFFAOYSA-N 1 2 236.275 -0.341 20 0 BBADLO COCCn1nnc2c1CC[N@@H+](CCOC)C2 ZINC000339300432 174316285 /nfs/dbraw/zinc/31/62/85/174316285.db2.gz IKCGGJNSQMBVKQ-UHFFFAOYSA-N 1 2 240.307 -0.071 20 0 BBADLO COCCn1nnc2c1CC[N@H+](CCOC)C2 ZINC000339300432 174316284 /nfs/dbraw/zinc/31/62/84/174316284.db2.gz IKCGGJNSQMBVKQ-UHFFFAOYSA-N 1 2 240.307 -0.071 20 0 BBADLO CCNC(=O)[C@H]([NH2+]Cc1nnnn1C)C(C)C ZINC000339315875 170098824 /nfs/dbraw/zinc/09/88/24/170098824.db2.gz JNHSWNJZOGJMMJ-SECBINFHSA-N 1 2 240.311 -0.540 20 0 BBADLO CCNC(=O)[C@@H]([NH2+]Cc1nnnn1C)C(C)C ZINC000339315877 170091830 /nfs/dbraw/zinc/09/18/30/170091830.db2.gz JNHSWNJZOGJMMJ-VIFPVBQESA-N 1 2 240.311 -0.540 20 0 BBADLO CCNC(=O)[C@H]([NH2+]Cc1nnn(C)n1)C(C)C ZINC000339317504 170098759 /nfs/dbraw/zinc/09/87/59/170098759.db2.gz PISLWTDHHUDKGJ-SECBINFHSA-N 1 2 240.311 -0.540 20 0 BBADLO CCNC(=O)[C@@H]([NH2+]Cc1nnn(C)n1)C(C)C ZINC000339317507 170091792 /nfs/dbraw/zinc/09/17/92/170091792.db2.gz PISLWTDHHUDKGJ-VIFPVBQESA-N 1 2 240.311 -0.540 20 0 BBADLO CCNC(=O)[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)C(C)C ZINC000339320920 170098096 /nfs/dbraw/zinc/09/80/96/170098096.db2.gz NGFMBNGDLAZOOO-MRVPVSSYSA-N 1 2 241.295 -0.239 20 0 BBADLO O=C(NCCCO)NCCn1cc[nH+]c1 ZINC000339329517 182168404 /nfs/dbraw/zinc/16/84/04/182168404.db2.gz RRLQXGITTTXPCG-UHFFFAOYSA-N 1 2 212.253 -0.435 20 0 BBADLO O=C(NCCO)NCCCn1cc[nH+]c1 ZINC000339334909 182190444 /nfs/dbraw/zinc/19/04/44/182190444.db2.gz QCLJLZGNDDSZOY-UHFFFAOYSA-N 1 2 212.253 -0.435 20 0 BBADLO CNC(=O)CNC(=O)NCCCn1cc[nH+]c1 ZINC000339347877 173275790 /nfs/dbraw/zinc/27/57/90/173275790.db2.gz IEKOUUJVALUOHD-UHFFFAOYSA-N 1 2 239.279 -0.682 20 0 BBADLO CCNC(=O)CNC(=O)NCCn1cc[nH+]c1 ZINC000339348668 170061996 /nfs/dbraw/zinc/06/19/96/170061996.db2.gz ZIJLNVCONHKTJE-UHFFFAOYSA-N 1 2 239.279 -0.682 20 0 BBADLO CN(C)C(=O)CNC(=O)NCCn1cc[nH+]c1 ZINC000339349041 172368635 /nfs/dbraw/zinc/36/86/35/172368635.db2.gz NFQDYTWFARJGJE-UHFFFAOYSA-N 1 2 239.279 -0.730 20 0 BBADLO COC[C@H](C(N)=O)[N@@H+](C)Cc1cnn(C)c1 ZINC000339353749 386388530 /nfs/dbraw/zinc/38/85/30/386388530.db2.gz AJVIAHQSUPDTGI-SECBINFHSA-N 1 2 226.280 -0.648 20 0 BBADLO COC[C@H](C(N)=O)[N@H+](C)Cc1cnn(C)c1 ZINC000339353749 386388529 /nfs/dbraw/zinc/38/85/29/386388529.db2.gz AJVIAHQSUPDTGI-SECBINFHSA-N 1 2 226.280 -0.648 20 0 BBADLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1cnn(C)c1 ZINC000339353751 386388549 /nfs/dbraw/zinc/38/85/49/386388549.db2.gz AJVIAHQSUPDTGI-VIFPVBQESA-N 1 2 226.280 -0.648 20 0 BBADLO COC[C@@H](C(N)=O)[N@H+](C)Cc1cnn(C)c1 ZINC000339353751 386388548 /nfs/dbraw/zinc/38/85/48/386388548.db2.gz AJVIAHQSUPDTGI-VIFPVBQESA-N 1 2 226.280 -0.648 20 0 BBADLO COC[C@H](C(N)=O)[N@@H+](C)CCN1CCCC1=O ZINC000339356932 398155365 /nfs/dbraw/zinc/15/53/65/398155365.db2.gz DVYDAGBLZRCOMK-SECBINFHSA-N 1 2 243.307 -0.959 20 0 BBADLO COC[C@H](C(N)=O)[N@H+](C)CCN1CCCC1=O ZINC000339356932 398155362 /nfs/dbraw/zinc/15/53/62/398155362.db2.gz DVYDAGBLZRCOMK-SECBINFHSA-N 1 2 243.307 -0.959 20 0 BBADLO COC[C@@H](C(N)=O)[N@@H+](C)CCN1CCCC1=O ZINC000339356934 398155386 /nfs/dbraw/zinc/15/53/86/398155386.db2.gz DVYDAGBLZRCOMK-VIFPVBQESA-N 1 2 243.307 -0.959 20 0 BBADLO COC[C@@H](C(N)=O)[N@H+](C)CCN1CCCC1=O ZINC000339356934 398155385 /nfs/dbraw/zinc/15/53/85/398155385.db2.gz DVYDAGBLZRCOMK-VIFPVBQESA-N 1 2 243.307 -0.959 20 0 BBADLO COC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000339365592 386390793 /nfs/dbraw/zinc/39/07/93/386390793.db2.gz ZAIILWKGUXODKB-NTSWFWBYSA-N 1 2 244.213 -0.658 20 0 BBADLO COC[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000339365592 386390790 /nfs/dbraw/zinc/39/07/90/386390790.db2.gz ZAIILWKGUXODKB-NTSWFWBYSA-N 1 2 244.213 -0.658 20 0 BBADLO COC[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000339365594 386389523 /nfs/dbraw/zinc/38/95/23/386389523.db2.gz ZAIILWKGUXODKB-PHDIDXHHSA-N 1 2 244.213 -0.658 20 0 BBADLO COC[C@H](C(N)=O)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000339365594 386389521 /nfs/dbraw/zinc/38/95/21/386389521.db2.gz ZAIILWKGUXODKB-PHDIDXHHSA-N 1 2 244.213 -0.658 20 0 BBADLO COC[C@H](C(N)=O)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000339365596 386390648 /nfs/dbraw/zinc/39/06/48/386390648.db2.gz ZAIILWKGUXODKB-RITPCOANSA-N 1 2 244.213 -0.658 20 0 BBADLO COC[C@H](C(N)=O)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000339365596 386390645 /nfs/dbraw/zinc/39/06/45/386390645.db2.gz ZAIILWKGUXODKB-RITPCOANSA-N 1 2 244.213 -0.658 20 0 BBADLO COC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000339365598 386391065 /nfs/dbraw/zinc/39/10/65/386391065.db2.gz ZAIILWKGUXODKB-WDSKDSINSA-N 1 2 244.213 -0.658 20 0 BBADLO COC[C@@H](C(N)=O)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000339365598 386391064 /nfs/dbraw/zinc/39/10/64/386391064.db2.gz ZAIILWKGUXODKB-WDSKDSINSA-N 1 2 244.213 -0.658 20 0 BBADLO CCN(CCO)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000339421119 386420706 /nfs/dbraw/zinc/42/07/06/386420706.db2.gz FUQFMBRTXIJYCM-LLVKDONJSA-N 1 2 243.351 -0.537 20 0 BBADLO CCN(CCO)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000339421120 386421966 /nfs/dbraw/zinc/42/19/66/386421966.db2.gz FUQFMBRTXIJYCM-NSHDSACASA-N 1 2 243.351 -0.537 20 0 BBADLO C[C@H](CO)CNC(=O)NCC[NH+]1CCOCC1 ZINC000339442629 386428481 /nfs/dbraw/zinc/42/84/81/386428481.db2.gz NEKAOESLMYTCJH-JTQLQIEISA-N 1 2 245.323 -0.754 20 0 BBADLO C[C@@H](CO)CNC(=O)NCC[NH+]1CCOCC1 ZINC000339442630 386428461 /nfs/dbraw/zinc/42/84/61/386428461.db2.gz NEKAOESLMYTCJH-SNVBAGLBSA-N 1 2 245.323 -0.754 20 0 BBADLO CNS(=O)(=O)CCC[N@H+]1CCO[C@H](C)C1 ZINC000339582790 384863726 /nfs/dbraw/zinc/86/37/26/384863726.db2.gz RGKJNDFLMXLFCB-SECBINFHSA-N 1 2 236.337 -0.354 20 0 BBADLO CNS(=O)(=O)CCC[N@@H+]1CCO[C@H](C)C1 ZINC000339582790 384863721 /nfs/dbraw/zinc/86/37/21/384863721.db2.gz RGKJNDFLMXLFCB-SECBINFHSA-N 1 2 236.337 -0.354 20 0 BBADLO CNS(=O)(=O)CCC[N@H+]1CCO[C@@H](C)C1 ZINC000339582791 384863218 /nfs/dbraw/zinc/86/32/18/384863218.db2.gz RGKJNDFLMXLFCB-VIFPVBQESA-N 1 2 236.337 -0.354 20 0 BBADLO CNS(=O)(=O)CCC[N@@H+]1CCO[C@@H](C)C1 ZINC000339582791 384863212 /nfs/dbraw/zinc/86/32/12/384863212.db2.gz RGKJNDFLMXLFCB-VIFPVBQESA-N 1 2 236.337 -0.354 20 0 BBADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000339588432 173287800 /nfs/dbraw/zinc/28/78/00/173287800.db2.gz XOWSXXVVXFICCM-HTQZYQBOSA-N 1 2 229.280 -0.449 20 0 BBADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000339588432 173287799 /nfs/dbraw/zinc/28/77/99/173287799.db2.gz XOWSXXVVXFICCM-HTQZYQBOSA-N 1 2 229.280 -0.449 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CCO[C@@H](C)C1 ZINC000339589717 177274708 /nfs/dbraw/zinc/27/47/08/177274708.db2.gz JLNPKYJKFXUHMN-NKWVEPMBSA-N 1 2 215.253 -0.710 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCO[C@@H](C)C1 ZINC000339589717 177274707 /nfs/dbraw/zinc/27/47/07/177274707.db2.gz JLNPKYJKFXUHMN-NKWVEPMBSA-N 1 2 215.253 -0.710 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CCO[C@H](C)C1 ZINC000339589718 176316364 /nfs/dbraw/zinc/31/63/64/176316364.db2.gz JLNPKYJKFXUHMN-RNFRBKRXSA-N 1 2 215.253 -0.710 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCO[C@H](C)C1 ZINC000339589718 176316362 /nfs/dbraw/zinc/31/63/62/176316362.db2.gz JLNPKYJKFXUHMN-RNFRBKRXSA-N 1 2 215.253 -0.710 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000339618304 177275227 /nfs/dbraw/zinc/27/52/27/177275227.db2.gz HKWRDLIEKMAZRF-HRDYMLBCSA-N 1 2 242.323 -0.406 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000339618304 177275225 /nfs/dbraw/zinc/27/52/25/177275225.db2.gz HKWRDLIEKMAZRF-HRDYMLBCSA-N 1 2 242.323 -0.406 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H](C)N(C)[C@H](C)C1 ZINC000339618305 386488505 /nfs/dbraw/zinc/48/85/05/386488505.db2.gz HKWRDLIEKMAZRF-IWSPIJDZSA-N 1 2 242.323 -0.406 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[NH+]1C[C@H](C)N(C)[C@@H](C)C1 ZINC000339618306 177275787 /nfs/dbraw/zinc/27/57/87/177275787.db2.gz HKWRDLIEKMAZRF-XHNCKOQMSA-N 1 2 242.323 -0.406 20 0 BBADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000339618307 386488257 /nfs/dbraw/zinc/48/82/57/386488257.db2.gz HKWRDLIEKMAZRF-YIZRAAEISA-N 1 2 242.323 -0.406 20 0 BBADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000339618307 386488255 /nfs/dbraw/zinc/48/82/55/386488255.db2.gz HKWRDLIEKMAZRF-YIZRAAEISA-N 1 2 242.323 -0.406 20 0 BBADLO Cc1ccnc(C[N@@H+](CCO)CCCO)n1 ZINC000339661561 386509767 /nfs/dbraw/zinc/50/97/67/386509767.db2.gz PBMQFFWIMGJUCR-UHFFFAOYSA-N 1 2 225.292 -0.038 20 0 BBADLO Cc1ccnc(C[N@H+](CCO)CCCO)n1 ZINC000339661561 386509764 /nfs/dbraw/zinc/50/97/64/386509764.db2.gz PBMQFFWIMGJUCR-UHFFFAOYSA-N 1 2 225.292 -0.038 20 0 BBADLO C[C@H](C(=O)N1CCC[C@@H](O)C1)[NH+]1CCOCC1 ZINC000339677997 386515299 /nfs/dbraw/zinc/51/52/99/386515299.db2.gz JUWYLBYUSQUPTF-GHMZBOCLSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H](C(=O)N1CCC[C@H](O)C1)[NH+]1CCOCC1 ZINC000339677998 384877996 /nfs/dbraw/zinc/87/79/96/384877996.db2.gz JUWYLBYUSQUPTF-MNOVXSKESA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@@H](C(=O)N1CCC[C@H](O)C1)[NH+]1CCOCC1 ZINC000339677999 384877658 /nfs/dbraw/zinc/87/76/58/384877658.db2.gz JUWYLBYUSQUPTF-QWRGUYRKSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@@H](C(=O)N1CCC[C@@H](O)C1)[NH+]1CCOCC1 ZINC000339678000 386515280 /nfs/dbraw/zinc/51/52/80/386515280.db2.gz JUWYLBYUSQUPTF-WDEREUQCSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H](C(=O)NCCCC(N)=O)[NH+]1CCOCC1 ZINC000339681039 386519749 /nfs/dbraw/zinc/51/97/49/386519749.db2.gz DLQKTVOYRXABEG-SECBINFHSA-N 1 2 243.307 -0.911 20 0 BBADLO C[C@@H](C(=O)NCCCC(N)=O)[NH+]1CCOCC1 ZINC000339681040 175613605 /nfs/dbraw/zinc/61/36/05/175613605.db2.gz DLQKTVOYRXABEG-VIFPVBQESA-N 1 2 243.307 -0.911 20 0 BBADLO COCCN(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339691317 174272857 /nfs/dbraw/zinc/27/28/57/174272857.db2.gz NPLOIPJUKGBNGX-JTQLQIEISA-N 1 2 230.308 -0.188 20 0 BBADLO COCCN(C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339691319 174272463 /nfs/dbraw/zinc/27/24/63/174272463.db2.gz NPLOIPJUKGBNGX-SNVBAGLBSA-N 1 2 230.308 -0.188 20 0 BBADLO C[C@@H](C(=O)N1CCCOCC1)[NH+]1CCOCC1 ZINC000339701108 386524291 /nfs/dbraw/zinc/52/42/91/386524291.db2.gz VYTYYYQBQODTNP-NSHDSACASA-N 1 2 242.319 -0.044 20 0 BBADLO CN(C(=O)C(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000339709295 172292978 /nfs/dbraw/zinc/29/29/78/172292978.db2.gz BFXSHYJJPXNFHF-UHFFFAOYSA-N 1 2 236.275 -0.380 20 0 BBADLO CC(C)N(C)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000339710996 386529088 /nfs/dbraw/zinc/52/90/88/386529088.db2.gz RQMUZPHRQGYGMS-UHFFFAOYSA-N 1 2 238.291 -0.134 20 0 BBADLO O=C(NCCn1cc[nH+]c1)C(=O)NC1CC1 ZINC000339712497 182215555 /nfs/dbraw/zinc/21/55/55/182215555.db2.gz RHEVWSPVJAFHOJ-UHFFFAOYSA-N 1 2 222.248 -0.722 20 0 BBADLO COCC(=O)N(C)CC[NH+]1CCOCC1 ZINC000339728104 174037517 /nfs/dbraw/zinc/03/75/17/174037517.db2.gz LQMCQUZPYSQWHF-UHFFFAOYSA-N 1 2 216.281 -0.577 20 0 BBADLO C[C@H](C(=O)N1CCO[C@H](C)C1)[NH+]1CCOCC1 ZINC000339775406 176253730 /nfs/dbraw/zinc/25/37/30/176253730.db2.gz FBIIUMCZGYTMQD-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@@H](C(=O)N1CCO[C@H](C)C1)[NH+]1CCOCC1 ZINC000339775408 386613910 /nfs/dbraw/zinc/61/39/10/386613910.db2.gz FBIIUMCZGYTMQD-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@@H](C(=O)N1CCO[C@@H](C)C1)[NH+]1CCOCC1 ZINC000339775410 177224243 /nfs/dbraw/zinc/22/42/43/177224243.db2.gz FBIIUMCZGYTMQD-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@H](C(=O)N1CCO[C@@H](C)C1)[NH+]1CCOCC1 ZINC000339775412 177222093 /nfs/dbraw/zinc/22/20/93/177222093.db2.gz FBIIUMCZGYTMQD-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO COC(=O)C[N@@H+](C)CCN1CCCC1=O ZINC000339828084 386676943 /nfs/dbraw/zinc/67/69/43/386676943.db2.gz DTQYJDZZXGMFLR-UHFFFAOYSA-N 1 2 214.265 -0.286 20 0 BBADLO COC(=O)C[N@H+](C)CCN1CCCC1=O ZINC000339828084 386676937 /nfs/dbraw/zinc/67/69/37/386676937.db2.gz DTQYJDZZXGMFLR-UHFFFAOYSA-N 1 2 214.265 -0.286 20 0 BBADLO CNS(=O)(=O)CCC[N@@H+](C)CC(=O)OC ZINC000339830872 386679449 /nfs/dbraw/zinc/67/94/49/386679449.db2.gz MHJUSCXQRZYFSO-UHFFFAOYSA-N 1 2 238.309 -0.970 20 0 BBADLO CNS(=O)(=O)CCC[N@H+](C)CC(=O)OC ZINC000339830872 386679439 /nfs/dbraw/zinc/67/94/39/386679439.db2.gz MHJUSCXQRZYFSO-UHFFFAOYSA-N 1 2 238.309 -0.970 20 0 BBADLO COC(=O)CN(C)CC[N@@H+](C)CC(=O)OC ZINC000339832457 386688707 /nfs/dbraw/zinc/68/87/07/386688707.db2.gz ASCBYZZHPLHOEM-UHFFFAOYSA-N 1 2 232.280 -0.804 20 0 BBADLO COC(=O)CN(C)CC[N@H+](C)CC(=O)OC ZINC000339832457 386688700 /nfs/dbraw/zinc/68/87/00/386688700.db2.gz ASCBYZZHPLHOEM-UHFFFAOYSA-N 1 2 232.280 -0.804 20 0 BBADLO COC(=O)C[N@@H+](C)C[C@@H](O)CN1CCCC1=O ZINC000339832777 386686577 /nfs/dbraw/zinc/68/65/77/386686577.db2.gz HWAAXYCHZOXAJJ-SECBINFHSA-N 1 2 244.291 -0.926 20 0 BBADLO COC(=O)C[N@H+](C)C[C@@H](O)CN1CCCC1=O ZINC000339832777 386686572 /nfs/dbraw/zinc/68/65/72/386686572.db2.gz HWAAXYCHZOXAJJ-SECBINFHSA-N 1 2 244.291 -0.926 20 0 BBADLO COC(=O)C[N@@H+](C)C[C@H](O)CN1CCCC1=O ZINC000339832778 386685978 /nfs/dbraw/zinc/68/59/78/386685978.db2.gz HWAAXYCHZOXAJJ-VIFPVBQESA-N 1 2 244.291 -0.926 20 0 BBADLO COC(=O)C[N@H+](C)C[C@H](O)CN1CCCC1=O ZINC000339832778 386685968 /nfs/dbraw/zinc/68/59/68/386685968.db2.gz HWAAXYCHZOXAJJ-VIFPVBQESA-N 1 2 244.291 -0.926 20 0 BBADLO COC(=O)C[N@@H+](C)CCCN1C(=O)CNC1=O ZINC000339833522 386686451 /nfs/dbraw/zinc/68/64/51/386686451.db2.gz VWBSVULXNXDUMN-UHFFFAOYSA-N 1 2 243.263 -0.967 20 0 BBADLO COC(=O)C[N@H+](C)CCCN1C(=O)CNC1=O ZINC000339833522 386686440 /nfs/dbraw/zinc/68/64/40/386686440.db2.gz VWBSVULXNXDUMN-UHFFFAOYSA-N 1 2 243.263 -0.967 20 0 BBADLO c1cn(CCNc2ccc3nncn3n2)c[nH+]1 ZINC000339880922 411704093 /nfs/dbraw/zinc/70/40/93/411704093.db2.gz VEZVIAZMYUXCPF-UHFFFAOYSA-N 1 2 229.247 0.433 20 0 BBADLO COC1(C(=O)N2CC[NH+](C)CC2)CCOCC1 ZINC000339888358 386760161 /nfs/dbraw/zinc/76/01/61/386760161.db2.gz GJEVPFWONJCADS-UHFFFAOYSA-N 1 2 242.319 -0.044 20 0 BBADLO Cc1nn(C)c(N)c1C(=O)N1CC[NH+](C)CC1 ZINC000339888582 180353739 /nfs/dbraw/zinc/35/37/39/180353739.db2.gz KDLIXURJMNNLTB-UHFFFAOYSA-N 1 2 237.307 -0.302 20 0 BBADLO CN1C(=O)CC[C@@H]1C(=O)Nc1cc[nH+]cc1O ZINC000339939134 566417902 /nfs/dbraw/zinc/41/79/02/566417902.db2.gz KUDBHCRPISPGMP-MRVPVSSYSA-N 1 2 235.243 -0.232 20 0 BBADLO CN1C(=O)CC[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000339939135 566417827 /nfs/dbraw/zinc/41/78/27/566417827.db2.gz KUDBHCRPISPGMP-QMMMGPOBSA-N 1 2 235.243 -0.232 20 0 BBADLO Cc1nnc(N2CC[NH+](CCO)CC2)o1 ZINC000339975312 385598531 /nfs/dbraw/zinc/59/85/31/385598531.db2.gz KCJIFTSJZLVDHJ-UHFFFAOYSA-N 1 2 212.253 -0.508 20 0 BBADLO C[C@@H](C(=O)N(C)CCO)[NH+]1CCN(C)CC1 ZINC000340036720 385696271 /nfs/dbraw/zinc/69/62/71/385696271.db2.gz AQRYFQDVHXZKIO-JTQLQIEISA-N 1 2 229.324 -0.927 20 0 BBADLO C[C@H](C(=O)N(C)CCO)[NH+]1CCN(C)CC1 ZINC000340036724 385695906 /nfs/dbraw/zinc/69/59/06/385695906.db2.gz AQRYFQDVHXZKIO-SNVBAGLBSA-N 1 2 229.324 -0.927 20 0 BBADLO C[C@H](C(=O)N(C)CCO)[NH+]1CCOCC1 ZINC000340039295 411399186 /nfs/dbraw/zinc/39/91/86/411399186.db2.gz FQMPTWCPJJDDDH-SECBINFHSA-N 1 2 216.281 -0.842 20 0 BBADLO C[C@@H](C(=O)N(C)CCO)[NH+]1CCOCC1 ZINC000340039296 411399304 /nfs/dbraw/zinc/39/93/04/411399304.db2.gz FQMPTWCPJJDDDH-VIFPVBQESA-N 1 2 216.281 -0.842 20 0 BBADLO Cc1nc(C(=O)NCc2ccc(N)[nH+]c2)n(C)n1 ZINC000340040031 411937336 /nfs/dbraw/zinc/93/73/36/411937336.db2.gz MFWIKWFEWYIWMP-UHFFFAOYSA-N 1 2 246.274 0.031 20 0 BBADLO NC(=O)NCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000340060975 181257265 /nfs/dbraw/zinc/25/72/65/181257265.db2.gz SRFIYJAKJZXOAL-UHFFFAOYSA-N 1 2 247.258 -0.381 20 0 BBADLO O=C(NCCn1cc[nH+]c1)[C@H]1CCCC(=O)N1 ZINC000340068652 385631078 /nfs/dbraw/zinc/63/10/78/385631078.db2.gz CALRGCPZMUVPEW-SECBINFHSA-N 1 2 236.275 -0.332 20 0 BBADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CCCC(=O)N1 ZINC000340068655 385631321 /nfs/dbraw/zinc/63/13/21/385631321.db2.gz CALRGCPZMUVPEW-VIFPVBQESA-N 1 2 236.275 -0.332 20 0 BBADLO CC[C@@H]1C[N@H+]([C@H]2CC(=O)N(C)C2=O)CCO1 ZINC000340153127 171095858 /nfs/dbraw/zinc/09/58/58/171095858.db2.gz OEZYGYSWRPUKTJ-BDAKNGLRSA-N 1 2 226.276 -0.146 20 0 BBADLO CC[C@@H]1C[N@@H+]([C@H]2CC(=O)N(C)C2=O)CCO1 ZINC000340153127 171095856 /nfs/dbraw/zinc/09/58/56/171095856.db2.gz OEZYGYSWRPUKTJ-BDAKNGLRSA-N 1 2 226.276 -0.146 20 0 BBADLO CC[C@H]1C[N@H+]([C@@H]2CC(=O)N(C)C2=O)CCO1 ZINC000340153128 385790186 /nfs/dbraw/zinc/79/01/86/385790186.db2.gz OEZYGYSWRPUKTJ-DTWKUNHWSA-N 1 2 226.276 -0.146 20 0 BBADLO CC[C@H]1C[N@@H+]([C@@H]2CC(=O)N(C)C2=O)CCO1 ZINC000340153128 385790180 /nfs/dbraw/zinc/79/01/80/385790180.db2.gz OEZYGYSWRPUKTJ-DTWKUNHWSA-N 1 2 226.276 -0.146 20 0 BBADLO CC[C@H]1C[N@H+]([C@H]2CC(=O)N(C)C2=O)CCO1 ZINC000340153129 385789764 /nfs/dbraw/zinc/78/97/64/385789764.db2.gz OEZYGYSWRPUKTJ-IUCAKERBSA-N 1 2 226.276 -0.146 20 0 BBADLO CC[C@H]1C[N@@H+]([C@H]2CC(=O)N(C)C2=O)CCO1 ZINC000340153129 385789756 /nfs/dbraw/zinc/78/97/56/385789756.db2.gz OEZYGYSWRPUKTJ-IUCAKERBSA-N 1 2 226.276 -0.146 20 0 BBADLO CC[C@@H]1C[N@H+]([C@@H]2CC(=O)N(C)C2=O)CCO1 ZINC000340153130 171093211 /nfs/dbraw/zinc/09/32/11/171093211.db2.gz OEZYGYSWRPUKTJ-RKDXNWHRSA-N 1 2 226.276 -0.146 20 0 BBADLO CC[C@@H]1C[N@@H+]([C@@H]2CC(=O)N(C)C2=O)CCO1 ZINC000340153130 171093208 /nfs/dbraw/zinc/09/32/08/171093208.db2.gz OEZYGYSWRPUKTJ-RKDXNWHRSA-N 1 2 226.276 -0.146 20 0 BBADLO CCn1nncc1C(=O)NCc1[nH]cc[nH+]1 ZINC000340192782 172290336 /nfs/dbraw/zinc/29/03/36/172290336.db2.gz SKOSPCZWWXYUTP-UHFFFAOYSA-N 1 2 220.236 -0.049 20 0 BBADLO CNC(=O)C[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC000340194282 173278243 /nfs/dbraw/zinc/27/82/43/173278243.db2.gz NDRJRDLMZQNLRP-JTQLQIEISA-N 1 2 239.250 -0.312 20 0 BBADLO CNC(=O)C[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC000340194283 173277661 /nfs/dbraw/zinc/27/76/61/173277661.db2.gz NDRJRDLMZQNLRP-SNVBAGLBSA-N 1 2 239.250 -0.312 20 0 BBADLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(F)cc1)C(N)=O ZINC000340205236 385920461 /nfs/dbraw/zinc/92/04/61/385920461.db2.gz FAMVUXWXOKMHLF-HZGVNTEJSA-N 1 2 239.250 -0.185 20 0 BBADLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(F)cc1)C(N)=O ZINC000340205237 385920447 /nfs/dbraw/zinc/92/04/47/385920447.db2.gz FAMVUXWXOKMHLF-IMTBSYHQSA-N 1 2 239.250 -0.185 20 0 BBADLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(F)cc1)C(N)=O ZINC000340205238 385920020 /nfs/dbraw/zinc/92/00/20/385920020.db2.gz FAMVUXWXOKMHLF-MUWHJKNJSA-N 1 2 239.250 -0.185 20 0 BBADLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(F)cc1)C(N)=O ZINC000340205239 188208353 /nfs/dbraw/zinc/20/83/53/188208353.db2.gz FAMVUXWXOKMHLF-RCOVLWMOSA-N 1 2 239.250 -0.185 20 0 BBADLO C[N@@H+](CC(=O)NCC1CC1)[C@@H]1CCNC1=O ZINC000340220129 385991937 /nfs/dbraw/zinc/99/19/37/385991937.db2.gz CKQBIGIGMZQAHZ-SECBINFHSA-N 1 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227.308 -0.327 20 0 BBADLO CC(C)N(C)C(=O)C[N@H+](C)[C@H]1CCNC1=O ZINC000340221010 188034425 /nfs/dbraw/zinc/03/44/25/188034425.db2.gz GURMWCNOXCCTKT-VIFPVBQESA-N 1 2 227.308 -0.327 20 0 BBADLO CC(C)CNC(=O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC000340222317 386002425 /nfs/dbraw/zinc/00/24/25/386002425.db2.gz KSNWRJXWFDQRJD-SECBINFHSA-N 1 2 227.308 -0.421 20 0 BBADLO CC(C)CNC(=O)C[N@H+](C)[C@@H]1CCNC1=O ZINC000340222317 386002419 /nfs/dbraw/zinc/00/24/19/386002419.db2.gz KSNWRJXWFDQRJD-SECBINFHSA-N 1 2 227.308 -0.421 20 0 BBADLO CC(C)CNC(=O)C[N@@H+](C)[C@H]1CCNC1=O ZINC000340222320 187345222 /nfs/dbraw/zinc/34/52/22/187345222.db2.gz KSNWRJXWFDQRJD-VIFPVBQESA-N 1 2 227.308 -0.421 20 0 BBADLO CC(C)CNC(=O)C[N@H+](C)[C@H]1CCNC1=O ZINC000340222320 187345220 /nfs/dbraw/zinc/34/52/20/187345220.db2.gz KSNWRJXWFDQRJD-VIFPVBQESA-N 1 2 227.308 -0.421 20 0 BBADLO CN(CC1CC1)C(=O)C[N@@H+](C)[C@H]1CCNC1=O ZINC000340222856 386006466 /nfs/dbraw/zinc/00/64/66/386006466.db2.gz YWDKVJJXKPPIDT-JTQLQIEISA-N 1 2 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386012403 /nfs/dbraw/zinc/01/24/03/386012403.db2.gz DXYKQKSBZPLJNF-QMMMGPOBSA-N 1 2 213.281 -0.715 20 0 BBADLO CCN(C)C(=O)C[N@H+](C)[C@H]1CCNC1=O ZINC000340224655 386012401 /nfs/dbraw/zinc/01/24/01/386012401.db2.gz DXYKQKSBZPLJNF-QMMMGPOBSA-N 1 2 213.281 -0.715 20 0 BBADLO CC(C)NC(=O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC000340224829 167048852 /nfs/dbraw/zinc/04/88/52/167048852.db2.gz GBICODZFPTWBKX-MRVPVSSYSA-N 1 2 213.281 -0.669 20 0 BBADLO CC(C)NC(=O)C[N@H+](C)[C@@H]1CCNC1=O ZINC000340224829 167048849 /nfs/dbraw/zinc/04/88/49/167048849.db2.gz GBICODZFPTWBKX-MRVPVSSYSA-N 1 2 213.281 -0.669 20 0 BBADLO CC(C)NC(=O)C[N@@H+](C)[C@H]1CCNC1=O ZINC000340224830 167049561 /nfs/dbraw/zinc/04/95/61/167049561.db2.gz GBICODZFPTWBKX-QMMMGPOBSA-N 1 2 213.281 -0.669 20 0 BBADLO CC(C)NC(=O)C[N@H+](C)[C@H]1CCNC1=O ZINC000340224830 167049559 /nfs/dbraw/zinc/04/95/59/167049559.db2.gz GBICODZFPTWBKX-QMMMGPOBSA-N 1 2 213.281 -0.669 20 0 BBADLO CCCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC000340224928 169240561 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ZINC000340227288 386032767 /nfs/dbraw/zinc/03/27/67/386032767.db2.gz YCJZSQDDJPGILO-DTWKUNHWSA-N 1 2 248.348 -0.513 20 0 BBADLO C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)CS(C)(=O)=O ZINC000340227289 386032059 /nfs/dbraw/zinc/03/20/59/386032059.db2.gz YCJZSQDDJPGILO-IUCAKERBSA-N 1 2 248.348 -0.513 20 0 BBADLO C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)CS(C)(=O)=O ZINC000340227289 386032051 /nfs/dbraw/zinc/03/20/51/386032051.db2.gz YCJZSQDDJPGILO-IUCAKERBSA-N 1 2 248.348 -0.513 20 0 BBADLO C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)CS(C)(=O)=O ZINC000340227290 386031571 /nfs/dbraw/zinc/03/15/71/386031571.db2.gz YCJZSQDDJPGILO-RKDXNWHRSA-N 1 2 248.348 -0.513 20 0 BBADLO C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)CS(C)(=O)=O ZINC000340227290 386031567 /nfs/dbraw/zinc/03/15/67/386031567.db2.gz YCJZSQDDJPGILO-RKDXNWHRSA-N 1 2 248.348 -0.513 20 0 BBADLO C[N@@H+](CC(=O)NCC1CCC1)[C@H]1CCNC1=O ZINC000340227455 386025967 /nfs/dbraw/zinc/02/59/67/386025967.db2.gz ZGOZKCJIOLWIBY-JTQLQIEISA-N 1 2 239.319 -0.277 20 0 BBADLO C[N@H+](CC(=O)NCC1CCC1)[C@H]1CCNC1=O ZINC000340227455 386025960 /nfs/dbraw/zinc/02/59/60/386025960.db2.gz ZGOZKCJIOLWIBY-JTQLQIEISA-N 1 2 239.319 -0.277 20 0 BBADLO C[N@@H+](CC(=O)NCC1CCC1)[C@@H]1CCNC1=O ZINC000340227456 386026976 /nfs/dbraw/zinc/02/69/76/386026976.db2.gz ZGOZKCJIOLWIBY-SNVBAGLBSA-N 1 2 239.319 -0.277 20 0 BBADLO C[N@H+](CC(=O)NCC1CCC1)[C@@H]1CCNC1=O ZINC000340227456 386026968 /nfs/dbraw/zinc/02/69/68/386026968.db2.gz ZGOZKCJIOLWIBY-SNVBAGLBSA-N 1 2 239.319 -0.277 20 0 BBADLO CCOCC[NH+]1CCN(Cc2c[nH]nn2)CC1 ZINC000340276370 386186208 /nfs/dbraw/zinc/18/62/08/386186208.db2.gz FBQGJZAWJAZJIZ-UHFFFAOYSA-N 1 2 239.323 -0.041 20 0 BBADLO CC(C)NC(=O)C[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000340277401 167049321 /nfs/dbraw/zinc/04/93/21/167049321.db2.gz ITBZZNAJFZMFOK-BDAKNGLRSA-N 1 2 216.281 -0.798 20 0 BBADLO CC(C)NC(=O)C[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000340277401 167049318 /nfs/dbraw/zinc/04/93/18/167049318.db2.gz ITBZZNAJFZMFOK-BDAKNGLRSA-N 1 2 216.281 -0.798 20 0 BBADLO CC(C)NC(=O)C[N@@H+](C)[C@H]1COC[C@H]1O ZINC000340277419 167047988 /nfs/dbraw/zinc/04/79/88/167047988.db2.gz ITBZZNAJFZMFOK-DTWKUNHWSA-N 1 2 216.281 -0.798 20 0 BBADLO CC(C)NC(=O)C[N@H+](C)[C@H]1COC[C@H]1O ZINC000340277419 167047985 /nfs/dbraw/zinc/04/79/85/167047985.db2.gz ITBZZNAJFZMFOK-DTWKUNHWSA-N 1 2 216.281 -0.798 20 0 BBADLO CC(C)NC(=O)C[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000340277420 167048262 /nfs/dbraw/zinc/04/82/62/167048262.db2.gz ITBZZNAJFZMFOK-IUCAKERBSA-N 1 2 216.281 -0.798 20 0 BBADLO CC(C)NC(=O)C[N@H+](C)[C@H]1COC[C@@H]1O ZINC000340277420 167048258 /nfs/dbraw/zinc/04/82/58/167048258.db2.gz ITBZZNAJFZMFOK-IUCAKERBSA-N 1 2 216.281 -0.798 20 0 BBADLO CC(C)NC(=O)C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000340277422 167048888 /nfs/dbraw/zinc/04/88/88/167048888.db2.gz ITBZZNAJFZMFOK-RKDXNWHRSA-N 1 2 216.281 -0.798 20 0 BBADLO CC(C)NC(=O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000340277422 167048886 /nfs/dbraw/zinc/04/88/86/167048886.db2.gz ITBZZNAJFZMFOK-RKDXNWHRSA-N 1 2 216.281 -0.798 20 0 BBADLO CCN(CC)C(=O)C[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000340277890 386190083 /nfs/dbraw/zinc/19/00/83/386190083.db2.gz MWQUZQSTGUWWGT-UWVGGRQHSA-N 1 2 230.308 -0.454 20 0 BBADLO CCN(CC)C(=O)C[N@H+](C)[C@H]1COC[C@@H]1O ZINC000340277890 386190080 /nfs/dbraw/zinc/19/00/80/386190080.db2.gz MWQUZQSTGUWWGT-UWVGGRQHSA-N 1 2 230.308 -0.454 20 0 BBADLO CCN(CC)C(=O)C[N@@H+](C)[C@H]1COC[C@H]1O ZINC000340277891 169747407 /nfs/dbraw/zinc/74/74/07/169747407.db2.gz MWQUZQSTGUWWGT-VHSXEESVSA-N 1 2 230.308 -0.454 20 0 BBADLO CCN(CC)C(=O)C[N@H+](C)[C@H]1COC[C@H]1O ZINC000340277891 169747406 /nfs/dbraw/zinc/74/74/06/169747406.db2.gz MWQUZQSTGUWWGT-VHSXEESVSA-N 1 2 230.308 -0.454 20 0 BBADLO CCN(CC)C(=O)C[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000340277892 386189756 /nfs/dbraw/zinc/18/97/56/386189756.db2.gz MWQUZQSTGUWWGT-ZJUUUORDSA-N 1 2 230.308 -0.454 20 0 BBADLO CCN(CC)C(=O)C[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000340277892 386189753 /nfs/dbraw/zinc/18/97/53/386189753.db2.gz MWQUZQSTGUWWGT-ZJUUUORDSA-N 1 2 230.308 -0.454 20 0 BBADLO CCOCCN1CC[NH+]([C@@H]2COC[C@@H]2O)CC1 ZINC000340281911 170399279 /nfs/dbraw/zinc/39/92/79/170399279.db2.gz YABSDZZLLHKMTP-NEPJUHHUSA-N 1 2 244.335 -0.600 20 0 BBADLO CCOCCN1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000340281913 170399213 /nfs/dbraw/zinc/39/92/13/170399213.db2.gz YABSDZZLLHKMTP-NWDGAFQWSA-N 1 2 244.335 -0.600 20 0 BBADLO CCOCCN1CC[NH+]([C@H]2COC[C@@H]2O)CC1 ZINC000340281915 170399228 /nfs/dbraw/zinc/39/92/28/170399228.db2.gz YABSDZZLLHKMTP-RYUDHWBXSA-N 1 2 244.335 -0.600 20 0 BBADLO CCOCCN1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000340281917 170399950 /nfs/dbraw/zinc/39/99/50/170399950.db2.gz YABSDZZLLHKMTP-VXGBXAGGSA-N 1 2 244.335 -0.600 20 0 BBADLO COC[C@@H]1C[N@H+]([C@@H]2COC[C@@H]2O)CCO1 ZINC000340286331 386217559 /nfs/dbraw/zinc/21/75/59/386217559.db2.gz HSTWPKGLNRQEOE-AEJSXWLSSA-N 1 2 217.265 -0.907 20 0 BBADLO COC[C@@H]1C[N@@H+]([C@@H]2COC[C@@H]2O)CCO1 ZINC000340286331 386217554 /nfs/dbraw/zinc/21/75/54/386217554.db2.gz HSTWPKGLNRQEOE-AEJSXWLSSA-N 1 2 217.265 -0.907 20 0 BBADLO COC[C@@H]1C[N@H+]([C@H]2COC[C@@H]2O)CCO1 ZINC000340286333 386217871 /nfs/dbraw/zinc/21/78/71/386217871.db2.gz HSTWPKGLNRQEOE-GUBZILKMSA-N 1 2 217.265 -0.907 20 0 BBADLO COC[C@@H]1C[N@@H+]([C@H]2COC[C@@H]2O)CCO1 ZINC000340286333 386217864 /nfs/dbraw/zinc/21/78/64/386217864.db2.gz HSTWPKGLNRQEOE-GUBZILKMSA-N 1 2 217.265 -0.907 20 0 BBADLO COC[C@@H]1C[N@H+]([C@@H]2COC[C@H]2O)CCO1 ZINC000340286334 386218141 /nfs/dbraw/zinc/21/81/41/386218141.db2.gz HSTWPKGLNRQEOE-IVZWLZJFSA-N 1 2 217.265 -0.907 20 0 BBADLO COC[C@@H]1C[N@@H+]([C@@H]2COC[C@H]2O)CCO1 ZINC000340286334 386218134 /nfs/dbraw/zinc/21/81/34/386218134.db2.gz HSTWPKGLNRQEOE-IVZWLZJFSA-N 1 2 217.265 -0.907 20 0 BBADLO COC[C@@H]1C[N@H+]([C@H]2COC[C@H]2O)CCO1 ZINC000340286336 386216494 /nfs/dbraw/zinc/21/64/94/386216494.db2.gz HSTWPKGLNRQEOE-LPEHRKFASA-N 1 2 217.265 -0.907 20 0 BBADLO COC[C@@H]1C[N@@H+]([C@H]2COC[C@H]2O)CCO1 ZINC000340286336 386216490 /nfs/dbraw/zinc/21/64/90/386216490.db2.gz HSTWPKGLNRQEOE-LPEHRKFASA-N 1 2 217.265 -0.907 20 0 BBADLO C[N@@H+](Cc1cnccn1)[C@@H]1COC[C@H]1O ZINC000340289823 386220754 /nfs/dbraw/zinc/22/07/54/386220754.db2.gz OOAADUOZSWAOAV-NXEZZACHSA-N 1 2 209.249 -0.332 20 0 BBADLO C[N@H+](Cc1cnccn1)[C@@H]1COC[C@H]1O ZINC000340289823 386220748 /nfs/dbraw/zinc/22/07/48/386220748.db2.gz OOAADUOZSWAOAV-NXEZZACHSA-N 1 2 209.249 -0.332 20 0 BBADLO C[N@@H+](Cc1cnccn1)[C@H]1COC[C@@H]1O ZINC000340289830 386219198 /nfs/dbraw/zinc/21/91/98/386219198.db2.gz OOAADUOZSWAOAV-UWVGGRQHSA-N 1 2 209.249 -0.332 20 0 BBADLO C[N@H+](Cc1cnccn1)[C@H]1COC[C@@H]1O ZINC000340289830 386219194 /nfs/dbraw/zinc/21/91/94/386219194.db2.gz OOAADUOZSWAOAV-UWVGGRQHSA-N 1 2 209.249 -0.332 20 0 BBADLO C[N@@H+](Cc1cnccn1)[C@H]1COC[C@H]1O ZINC000340289835 386219955 /nfs/dbraw/zinc/21/99/55/386219955.db2.gz OOAADUOZSWAOAV-VHSXEESVSA-N 1 2 209.249 -0.332 20 0 BBADLO C[N@H+](Cc1cnccn1)[C@H]1COC[C@H]1O ZINC000340289835 386219948 /nfs/dbraw/zinc/21/99/48/386219948.db2.gz OOAADUOZSWAOAV-VHSXEESVSA-N 1 2 209.249 -0.332 20 0 BBADLO C[N@@H+](Cc1cnccn1)[C@@H]1COC[C@@H]1O ZINC000340289836 386220944 /nfs/dbraw/zinc/22/09/44/386220944.db2.gz OOAADUOZSWAOAV-ZJUUUORDSA-N 1 2 209.249 -0.332 20 0 BBADLO C[N@H+](Cc1cnccn1)[C@@H]1COC[C@@H]1O ZINC000340289836 386220939 /nfs/dbraw/zinc/22/09/39/386220939.db2.gz OOAADUOZSWAOAV-ZJUUUORDSA-N 1 2 209.249 -0.332 20 0 BBADLO COCC[NH+]1CCN(Cc2c[nH]nn2)CC1 ZINC000340289901 174309345 /nfs/dbraw/zinc/30/93/45/174309345.db2.gz VXLLBDSJAIDHEJ-UHFFFAOYSA-N 1 2 225.296 -0.431 20 0 BBADLO COCC[NH+]1CCN(Cc2cn[nH]n2)CC1 ZINC000340289901 174309344 /nfs/dbraw/zinc/30/93/44/174309344.db2.gz VXLLBDSJAIDHEJ-UHFFFAOYSA-N 1 2 225.296 -0.431 20 0 BBADLO CCNC(=O)N1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000340292316 170074467 /nfs/dbraw/zinc/07/44/67/170074467.db2.gz ZNCDGRDFDTTWEG-NXEZZACHSA-N 1 2 243.307 -0.907 20 0 BBADLO CCNC(=O)N1CC[NH+]([C@H]2COC[C@@H]2O)CC1 ZINC000340292317 170074743 /nfs/dbraw/zinc/07/47/43/170074743.db2.gz ZNCDGRDFDTTWEG-UWVGGRQHSA-N 1 2 243.307 -0.907 20 0 BBADLO CCNC(=O)N1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000340292318 170074256 /nfs/dbraw/zinc/07/42/56/170074256.db2.gz ZNCDGRDFDTTWEG-VHSXEESVSA-N 1 2 243.307 -0.907 20 0 BBADLO CCNC(=O)N1CC[NH+]([C@@H]2COC[C@@H]2O)CC1 ZINC000340292319 170073919 /nfs/dbraw/zinc/07/39/19/170073919.db2.gz ZNCDGRDFDTTWEG-ZJUUUORDSA-N 1 2 243.307 -0.907 20 0 BBADLO Cc1ccc2[nH+]c(CNS(N)(=O)=O)cn2c1 ZINC000340444149 386893261 /nfs/dbraw/zinc/89/32/61/386893261.db2.gz KPCVPKWBUNUOGX-UHFFFAOYSA-N 1 2 240.288 -0.064 20 0 BBADLO CN(C(=O)CCn1cc[nH+]c1)[C@@H]1CCNC1=O ZINC000340483677 385908181 /nfs/dbraw/zinc/90/81/81/385908181.db2.gz KMKLIIYZSZAQOU-SECBINFHSA-N 1 2 236.275 -0.380 20 0 BBADLO CN(C(=O)CCn1cc[nH+]c1)[C@H]1CCNC1=O ZINC000340483679 188393907 /nfs/dbraw/zinc/39/39/07/188393907.db2.gz KMKLIIYZSZAQOU-VIFPVBQESA-N 1 2 236.275 -0.380 20 0 BBADLO CNC(=O)NCC(=O)NCCCn1cc[nH+]c1 ZINC000340572721 173289938 /nfs/dbraw/zinc/28/99/38/173289938.db2.gz UNFUYDCSCDCNBO-UHFFFAOYSA-N 1 2 239.279 -0.682 20 0 BBADLO CNC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000340613501 173214980 /nfs/dbraw/zinc/21/49/80/173214980.db2.gz BOOVOORNTXZBEX-UHFFFAOYSA-N 1 2 246.270 -0.261 20 0 BBADLO CNC(=O)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000340615608 173215331 /nfs/dbraw/zinc/21/53/31/173215331.db2.gz FHHLJFZMGHKELR-MRVPVSSYSA-N 1 2 224.264 -0.619 20 0 BBADLO CNC(=O)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000340615631 173215930 /nfs/dbraw/zinc/21/59/30/173215930.db2.gz FHHLJFZMGHKELR-QMMMGPOBSA-N 1 2 224.264 -0.619 20 0 BBADLO CNC(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000340619814 173215774 /nfs/dbraw/zinc/21/57/74/173215774.db2.gz LNOUXEWFNCFGQZ-UHFFFAOYSA-N 1 2 236.275 -0.490 20 0 BBADLO CNC(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000340620879 173216509 /nfs/dbraw/zinc/21/65/09/173216509.db2.gz GOPQUOAIHHCAFB-UHFFFAOYSA-N 1 2 232.243 -0.304 20 0 BBADLO CNC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000340626408 173216495 /nfs/dbraw/zinc/21/64/95/173216495.db2.gz BUIIXAAYZIXQTA-UHFFFAOYSA-N 1 2 232.243 -0.304 20 0 BBADLO CNC(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000340627921 173216561 /nfs/dbraw/zinc/21/65/61/173216561.db2.gz NUSPISIPOYHQSK-UHFFFAOYSA-N 1 2 236.275 -0.490 20 0 BBADLO CNC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000340628041 173212923 /nfs/dbraw/zinc/21/29/23/173212923.db2.gz OMEQSJRGMGRASR-MRVPVSSYSA-N 1 2 236.275 -0.138 20 0 BBADLO CNC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000340628047 173212966 /nfs/dbraw/zinc/21/29/66/173212966.db2.gz OMEQSJRGMGRASR-QMMMGPOBSA-N 1 2 236.275 -0.138 20 0 BBADLO CNC(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000340631419 173213888 /nfs/dbraw/zinc/21/38/88/173213888.db2.gz PPURAPFMERTFFA-JTQLQIEISA-N 1 2 249.270 -0.193 20 0 BBADLO CNC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000340631424 173214121 /nfs/dbraw/zinc/21/41/21/173214121.db2.gz PPURAPFMERTFFA-SNVBAGLBSA-N 1 2 249.270 -0.193 20 0 BBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC1CC1 ZINC000340653059 386492991 /nfs/dbraw/zinc/49/29/91/386492991.db2.gz ZHCLZYADFOPYRW-MRVPVSSYSA-N 1 2 236.275 -0.334 20 0 BBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC1CC1 ZINC000340653060 386493880 /nfs/dbraw/zinc/49/38/80/386493880.db2.gz ZHCLZYADFOPYRW-QMMMGPOBSA-N 1 2 236.275 -0.334 20 0 BBADLO O=c1[nH]nc(C[N@@H+]2CCCC[C@H]2CO)[nH]1 ZINC000340763185 183115261 /nfs/dbraw/zinc/11/52/61/183115261.db2.gz FVCRSHNPZQIRKT-ZETCQYMHSA-N 1 2 212.253 -0.143 20 0 BBADLO O=c1[nH]nc(C[N@H+]2CCCC[C@H]2CO)[nH]1 ZINC000340763185 183115258 /nfs/dbraw/zinc/11/52/58/183115258.db2.gz FVCRSHNPZQIRKT-ZETCQYMHSA-N 1 2 212.253 -0.143 20 0 BBADLO Cn1ccc(NC(=O)NCc2[nH+]ccn2C)n1 ZINC000340778887 411843366 /nfs/dbraw/zinc/84/33/66/411843366.db2.gz KSYUDKXNTRVSOP-UHFFFAOYSA-N 1 2 234.263 0.475 20 0 BBADLO CCOCCCNC(=O)[C@@H](C)[N@@H+](C)CC(N)=O ZINC000340799174 170378354 /nfs/dbraw/zinc/37/83/54/170378354.db2.gz YCVCFJXBPFLOND-SECBINFHSA-N 1 2 245.323 -0.665 20 0 BBADLO CCOCCCNC(=O)[C@@H](C)[N@H+](C)CC(N)=O ZINC000340799174 170378352 /nfs/dbraw/zinc/37/83/52/170378352.db2.gz YCVCFJXBPFLOND-SECBINFHSA-N 1 2 245.323 -0.665 20 0 BBADLO Cc1cnc(C[N@@H+](CCO)CCCO)nc1 ZINC000340855240 386789366 /nfs/dbraw/zinc/78/93/66/386789366.db2.gz ZNHOTMWRSZIYBY-UHFFFAOYSA-N 1 2 225.292 -0.038 20 0 BBADLO Cc1cnc(C[N@H+](CCO)CCCO)nc1 ZINC000340855240 386789357 /nfs/dbraw/zinc/78/93/57/386789357.db2.gz ZNHOTMWRSZIYBY-UHFFFAOYSA-N 1 2 225.292 -0.038 20 0 BBADLO C[C@@H]1C[N@@H+](C)CCN1Cc1n[nH]c(=O)[nH]1 ZINC000340877412 176266880 /nfs/dbraw/zinc/26/68/80/176266880.db2.gz BGMGRGOEVMFTKK-SSDOTTSWSA-N 1 2 211.269 -0.354 20 0 BBADLO C[C@@H]1C[N@H+](C)CCN1Cc1n[nH]c(=O)[nH]1 ZINC000340877412 176266879 /nfs/dbraw/zinc/26/68/79/176266879.db2.gz BGMGRGOEVMFTKK-SSDOTTSWSA-N 1 2 211.269 -0.354 20 0 BBADLO C[C@H]1C[N@@H+](C)CCN1Cc1n[nH]c(=O)[nH]1 ZINC000340877421 188397610 /nfs/dbraw/zinc/39/76/10/188397610.db2.gz BGMGRGOEVMFTKK-ZETCQYMHSA-N 1 2 211.269 -0.354 20 0 BBADLO C[C@H]1C[N@H+](C)CCN1Cc1n[nH]c(=O)[nH]1 ZINC000340877421 188397609 /nfs/dbraw/zinc/39/76/09/188397609.db2.gz BGMGRGOEVMFTKK-ZETCQYMHSA-N 1 2 211.269 -0.354 20 0 BBADLO C[C@H](CN1CCOCC1)[NH+]1CCS(=O)CC1 ZINC000340889719 386799192 /nfs/dbraw/zinc/79/91/92/386799192.db2.gz GPSCDDMHRTYMJA-LLVKDONJSA-N 1 2 246.376 -0.229 20 0 BBADLO C[C@@H](CN1CCOCC1)[NH+]1CCS(=O)CC1 ZINC000340889721 386799286 /nfs/dbraw/zinc/79/92/86/386799286.db2.gz GPSCDDMHRTYMJA-NSHDSACASA-N 1 2 246.376 -0.229 20 0 BBADLO CCN(C)C(=O)C[N@H+](CC(N)=O)CC(C)C ZINC000340917829 386811038 /nfs/dbraw/zinc/81/10/38/386811038.db2.gz PDSBEAXJVIUQCQ-UHFFFAOYSA-N 1 2 229.324 -0.092 20 0 BBADLO CCN(C)C(=O)C[N@@H+](CC(N)=O)CC(C)C ZINC000340917829 386811034 /nfs/dbraw/zinc/81/10/34/386811034.db2.gz PDSBEAXJVIUQCQ-UHFFFAOYSA-N 1 2 229.324 -0.092 20 0 BBADLO C[C@@H]1C[N@@H+](CCN2CCOCC2)CC[S@@]1=O ZINC000340919914 176290463 /nfs/dbraw/zinc/29/04/63/176290463.db2.gz YMWVFORKNJBISU-BZNIZROVSA-N 1 2 246.376 -0.229 20 0 BBADLO C[C@@H]1C[N@H+](CCN2CCOCC2)CC[S@@]1=O ZINC000340919914 176290462 /nfs/dbraw/zinc/29/04/62/176290462.db2.gz YMWVFORKNJBISU-BZNIZROVSA-N 1 2 246.376 -0.229 20 0 BBADLO C[C@@H]1C[N@@H+](CCN2CCOCC2)CC[S@]1=O ZINC000340919916 176291119 /nfs/dbraw/zinc/29/11/19/176291119.db2.gz YMWVFORKNJBISU-BDJLRTHQSA-N 1 2 246.376 -0.229 20 0 BBADLO C[C@@H]1C[N@H+](CCN2CCOCC2)CC[S@]1=O ZINC000340919916 176291117 /nfs/dbraw/zinc/29/11/17/176291117.db2.gz YMWVFORKNJBISU-BDJLRTHQSA-N 1 2 246.376 -0.229 20 0 BBADLO C[C@H]1C[N@@H+](CCN2CCOCC2)CC[S@@]1=O ZINC000340919919 177251211 /nfs/dbraw/zinc/25/12/11/177251211.db2.gz YMWVFORKNJBISU-ZBEGNZNMSA-N 1 2 246.376 -0.229 20 0 BBADLO C[C@H]1C[N@H+](CCN2CCOCC2)CC[S@@]1=O ZINC000340919919 177251210 /nfs/dbraw/zinc/25/12/10/177251210.db2.gz YMWVFORKNJBISU-ZBEGNZNMSA-N 1 2 246.376 -0.229 20 0 BBADLO C[C@H]1C[N@@H+](CCN2CCOCC2)CC[S@]1=O ZINC000340919921 177250538 /nfs/dbraw/zinc/25/05/38/177250538.db2.gz YMWVFORKNJBISU-MEDUHNTESA-N 1 2 246.376 -0.229 20 0 BBADLO C[C@H]1C[N@H+](CCN2CCOCC2)CC[S@]1=O ZINC000340919921 177250535 /nfs/dbraw/zinc/25/05/35/177250535.db2.gz YMWVFORKNJBISU-MEDUHNTESA-N 1 2 246.376 -0.229 20 0 BBADLO COC[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000340924032 386798146 /nfs/dbraw/zinc/79/81/46/386798146.db2.gz ZQQYEWQFCXQPLQ-SSDOTTSWSA-N 1 2 212.253 -0.021 20 0 BBADLO COC[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000340924032 386798142 /nfs/dbraw/zinc/79/81/42/386798142.db2.gz ZQQYEWQFCXQPLQ-SSDOTTSWSA-N 1 2 212.253 -0.021 20 0 BBADLO COC[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000340924058 386800174 /nfs/dbraw/zinc/80/01/74/386800174.db2.gz ZQQYEWQFCXQPLQ-ZETCQYMHSA-N 1 2 212.253 -0.021 20 0 BBADLO COC[C@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000340924058 386800166 /nfs/dbraw/zinc/80/01/66/386800166.db2.gz ZQQYEWQFCXQPLQ-ZETCQYMHSA-N 1 2 212.253 -0.021 20 0 BBADLO Cc1cc(NC(=O)C[N@@H+]2C[C@@H](O)C[C@H]2C)no1 ZINC000340925020 412352627 /nfs/dbraw/zinc/35/26/27/412352627.db2.gz NIURNHRLFHRUAM-APPZFPTMSA-N 1 2 239.275 0.377 20 0 BBADLO Cc1cc(NC(=O)C[N@H+]2C[C@@H](O)C[C@H]2C)no1 ZINC000340925020 412352624 /nfs/dbraw/zinc/35/26/24/412352624.db2.gz NIURNHRLFHRUAM-APPZFPTMSA-N 1 2 239.275 0.377 20 0 BBADLO Cc1cc(NC(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2C)no1 ZINC000340925021 412352961 /nfs/dbraw/zinc/35/29/61/412352961.db2.gz NIURNHRLFHRUAM-CBAPKCEASA-N 1 2 239.275 0.377 20 0 BBADLO Cc1cc(NC(=O)C[N@H+]2C[C@@H](O)C[C@@H]2C)no1 ZINC000340925021 412352958 /nfs/dbraw/zinc/35/29/58/412352958.db2.gz NIURNHRLFHRUAM-CBAPKCEASA-N 1 2 239.275 0.377 20 0 BBADLO Cc1cc(NC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2C)no1 ZINC000340925022 412353789 /nfs/dbraw/zinc/35/37/89/412353789.db2.gz NIURNHRLFHRUAM-IONNQARKSA-N 1 2 239.275 0.377 20 0 BBADLO Cc1cc(NC(=O)C[N@H+]2C[C@H](O)C[C@@H]2C)no1 ZINC000340925022 412353787 /nfs/dbraw/zinc/35/37/87/412353787.db2.gz NIURNHRLFHRUAM-IONNQARKSA-N 1 2 239.275 0.377 20 0 BBADLO Cc1cc(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2C)no1 ZINC000340925023 412353686 /nfs/dbraw/zinc/35/36/86/412353686.db2.gz NIURNHRLFHRUAM-VXNVDRBHSA-N 1 2 239.275 0.377 20 0 BBADLO Cc1cc(NC(=O)C[N@H+]2C[C@H](O)C[C@H]2C)no1 ZINC000340925023 412353682 /nfs/dbraw/zinc/35/36/82/412353682.db2.gz NIURNHRLFHRUAM-VXNVDRBHSA-N 1 2 239.275 0.377 20 0 BBADLO C[C@H]1C[C@H](O)C[N@H+]1CC(=O)Nc1nncs1 ZINC000340936232 177373462 /nfs/dbraw/zinc/37/34/62/177373462.db2.gz YGNWYTORXSGUHO-BQBZGAKWSA-N 1 2 242.304 -0.068 20 0 BBADLO C[C@H]1C[C@H](O)C[N@@H+]1CC(=O)Nc1nncs1 ZINC000340936232 177373461 /nfs/dbraw/zinc/37/34/61/177373461.db2.gz YGNWYTORXSGUHO-BQBZGAKWSA-N 1 2 242.304 -0.068 20 0 BBADLO C[C@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1nncs1 ZINC000340936286 177337463 /nfs/dbraw/zinc/33/74/63/177337463.db2.gz YGNWYTORXSGUHO-NKWVEPMBSA-N 1 2 242.304 -0.068 20 0 BBADLO C[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1nncs1 ZINC000340936286 177337461 /nfs/dbraw/zinc/33/74/61/177337461.db2.gz YGNWYTORXSGUHO-NKWVEPMBSA-N 1 2 242.304 -0.068 20 0 BBADLO C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1nncs1 ZINC000340936290 176381552 /nfs/dbraw/zinc/38/15/52/176381552.db2.gz YGNWYTORXSGUHO-RNFRBKRXSA-N 1 2 242.304 -0.068 20 0 BBADLO C[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1nncs1 ZINC000340936290 176381549 /nfs/dbraw/zinc/38/15/49/176381549.db2.gz YGNWYTORXSGUHO-RNFRBKRXSA-N 1 2 242.304 -0.068 20 0 BBADLO C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)Nc1nncs1 ZINC000340936294 386802061 /nfs/dbraw/zinc/80/20/61/386802061.db2.gz YGNWYTORXSGUHO-RQJHMYQMSA-N 1 2 242.304 -0.068 20 0 BBADLO C[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)Nc1nncs1 ZINC000340936294 386802052 /nfs/dbraw/zinc/80/20/52/386802052.db2.gz YGNWYTORXSGUHO-RQJHMYQMSA-N 1 2 242.304 -0.068 20 0 BBADLO CC1(O)CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000340937615 168067718 /nfs/dbraw/zinc/06/77/18/168067718.db2.gz YQTOOMBDPVIYMX-UHFFFAOYSA-N 1 2 212.253 -0.143 20 0 BBADLO CCOC(=O)CC[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000340944997 170204835 /nfs/dbraw/zinc/20/48/35/170204835.db2.gz BQBOPMDFCFPGTF-UHFFFAOYSA-N 1 2 228.252 -0.105 20 0 BBADLO CCOC(=O)CC[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000340944997 170204834 /nfs/dbraw/zinc/20/48/34/170204834.db2.gz BQBOPMDFCFPGTF-UHFFFAOYSA-N 1 2 228.252 -0.105 20 0 BBADLO COC(=O)C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000340965864 386819715 /nfs/dbraw/zinc/81/97/15/386819715.db2.gz CEOODHCHUJEOBO-SECBINFHSA-N 1 2 226.276 -0.144 20 0 BBADLO COC(=O)C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000340965864 386819713 /nfs/dbraw/zinc/81/97/13/386819713.db2.gz CEOODHCHUJEOBO-SECBINFHSA-N 1 2 226.276 -0.144 20 0 BBADLO COC(=O)C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000340965868 386819853 /nfs/dbraw/zinc/81/98/53/386819853.db2.gz CEOODHCHUJEOBO-VIFPVBQESA-N 1 2 226.276 -0.144 20 0 BBADLO COC(=O)C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000340965868 386819846 /nfs/dbraw/zinc/81/98/46/386819846.db2.gz CEOODHCHUJEOBO-VIFPVBQESA-N 1 2 226.276 -0.144 20 0 BBADLO Cc1nc(NCc2cnnn2C)nc(N(C)C)[nH+]1 ZINC000340978696 411767473 /nfs/dbraw/zinc/76/74/73/411767473.db2.gz OIRAEGWSWDAAHX-UHFFFAOYSA-N 1 2 248.294 -0.013 20 0 BBADLO Cc1nc(N(C)C)nc(NCc2cnnn2C)[nH+]1 ZINC000340978696 411767470 /nfs/dbraw/zinc/76/74/70/411767470.db2.gz OIRAEGWSWDAAHX-UHFFFAOYSA-N 1 2 248.294 -0.013 20 0 BBADLO CC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1O ZINC000341043659 171093645 /nfs/dbraw/zinc/09/36/45/171093645.db2.gz JDEJMNQRPYSHBA-HTQZYQBOSA-N 1 2 211.269 -0.587 20 0 BBADLO CC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1O ZINC000341043659 171093644 /nfs/dbraw/zinc/09/36/44/171093644.db2.gz JDEJMNQRPYSHBA-HTQZYQBOSA-N 1 2 211.269 -0.587 20 0 BBADLO CC[C@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1O ZINC000341043689 386828658 /nfs/dbraw/zinc/82/86/58/386828658.db2.gz JDEJMNQRPYSHBA-JGVFFNPUSA-N 1 2 211.269 -0.587 20 0 BBADLO CC[C@H]1C[N@H+](Cc2nnnn2C)C[C@H]1O ZINC000341043689 386828651 /nfs/dbraw/zinc/82/86/51/386828651.db2.gz JDEJMNQRPYSHBA-JGVFFNPUSA-N 1 2 211.269 -0.587 20 0 BBADLO CC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@@H]1O ZINC000341043691 171094734 /nfs/dbraw/zinc/09/47/34/171094734.db2.gz JDEJMNQRPYSHBA-SFYZADRCSA-N 1 2 211.269 -0.587 20 0 BBADLO CC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@@H]1O ZINC000341043691 171094733 /nfs/dbraw/zinc/09/47/33/171094733.db2.gz JDEJMNQRPYSHBA-SFYZADRCSA-N 1 2 211.269 -0.587 20 0 BBADLO CC[C@H]1C[N@@H+](Cc2nnnn2C)C[C@@H]1O ZINC000341043694 386828732 /nfs/dbraw/zinc/82/87/32/386828732.db2.gz JDEJMNQRPYSHBA-YUMQZZPRSA-N 1 2 211.269 -0.587 20 0 BBADLO CC[C@H]1C[N@H+](Cc2nnnn2C)C[C@@H]1O ZINC000341043694 386828728 /nfs/dbraw/zinc/82/87/28/386828728.db2.gz JDEJMNQRPYSHBA-YUMQZZPRSA-N 1 2 211.269 -0.587 20 0 BBADLO CC[C@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC000341120506 386842353 /nfs/dbraw/zinc/84/23/53/386842353.db2.gz CXSURPHTOAHIFF-BQBZGAKWSA-N 1 2 212.253 -0.287 20 0 BBADLO CC[C@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC000341120506 386842348 /nfs/dbraw/zinc/84/23/48/386842348.db2.gz CXSURPHTOAHIFF-BQBZGAKWSA-N 1 2 212.253 -0.287 20 0 BBADLO CC[C@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC000341120509 386843813 /nfs/dbraw/zinc/84/38/13/386843813.db2.gz CXSURPHTOAHIFF-NKWVEPMBSA-N 1 2 212.253 -0.287 20 0 BBADLO CC[C@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC000341120509 386843811 /nfs/dbraw/zinc/84/38/11/386843811.db2.gz CXSURPHTOAHIFF-NKWVEPMBSA-N 1 2 212.253 -0.287 20 0 BBADLO CC[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC000341120510 171091206 /nfs/dbraw/zinc/09/12/06/171091206.db2.gz CXSURPHTOAHIFF-RNFRBKRXSA-N 1 2 212.253 -0.287 20 0 BBADLO CC[C@@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC000341120510 171091203 /nfs/dbraw/zinc/09/12/03/171091203.db2.gz CXSURPHTOAHIFF-RNFRBKRXSA-N 1 2 212.253 -0.287 20 0 BBADLO CC[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC000341120511 171090926 /nfs/dbraw/zinc/09/09/26/171090926.db2.gz CXSURPHTOAHIFF-RQJHMYQMSA-N 1 2 212.253 -0.287 20 0 BBADLO CC[C@@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC000341120511 171090924 /nfs/dbraw/zinc/09/09/24/171090924.db2.gz CXSURPHTOAHIFF-RQJHMYQMSA-N 1 2 212.253 -0.287 20 0 BBADLO C[C@@]1(O)CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000341133833 386843073 /nfs/dbraw/zinc/84/30/73/386843073.db2.gz WULVDRJFZNHEKX-SECBINFHSA-N 1 2 212.253 -0.143 20 0 BBADLO C[C@@]1(O)CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000341133833 386843064 /nfs/dbraw/zinc/84/30/64/386843064.db2.gz WULVDRJFZNHEKX-SECBINFHSA-N 1 2 212.253 -0.143 20 0 BBADLO C[C@]1(O)CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000341133834 386843859 /nfs/dbraw/zinc/84/38/59/386843859.db2.gz WULVDRJFZNHEKX-VIFPVBQESA-N 1 2 212.253 -0.143 20 0 BBADLO C[C@]1(O)CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000341133834 386843855 /nfs/dbraw/zinc/84/38/55/386843855.db2.gz WULVDRJFZNHEKX-VIFPVBQESA-N 1 2 212.253 -0.143 20 0 BBADLO CNC(=O)NCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000341164129 173290219 /nfs/dbraw/zinc/29/02/19/173290219.db2.gz WUROIDRVZIIRJK-MRVPVSSYSA-N 1 2 239.279 -0.683 20 0 BBADLO CNC(=O)NCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000341164133 173289960 /nfs/dbraw/zinc/28/99/60/173289960.db2.gz WUROIDRVZIIRJK-QMMMGPOBSA-N 1 2 239.279 -0.683 20 0 BBADLO CCOC1CN(C(=O)[C@H]2COCC[N@H+]2CC)C1 ZINC000341171659 170335516 /nfs/dbraw/zinc/33/55/16/170335516.db2.gz FBZONSGUJGRQPO-LLVKDONJSA-N 1 2 242.319 -0.046 20 0 BBADLO CCOC1CN(C(=O)[C@H]2COCC[N@@H+]2CC)C1 ZINC000341171659 170335515 /nfs/dbraw/zinc/33/55/15/170335515.db2.gz FBZONSGUJGRQPO-LLVKDONJSA-N 1 2 242.319 -0.046 20 0 BBADLO CCOC1CN(C(=O)[C@@H]2COCC[N@H+]2CC)C1 ZINC000341171661 170335067 /nfs/dbraw/zinc/33/50/67/170335067.db2.gz FBZONSGUJGRQPO-NSHDSACASA-N 1 2 242.319 -0.046 20 0 BBADLO CCOC1CN(C(=O)[C@@H]2COCC[N@@H+]2CC)C1 ZINC000341171661 170335066 /nfs/dbraw/zinc/33/50/66/170335066.db2.gz FBZONSGUJGRQPO-NSHDSACASA-N 1 2 242.319 -0.046 20 0 BBADLO CCOC1CN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000341247229 170335071 /nfs/dbraw/zinc/33/50/71/170335071.db2.gz OUQZTIHUEVSQJT-JTQLQIEISA-N 1 2 242.319 -0.046 20 0 BBADLO CCOC1CN(C(=O)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000341247230 170334058 /nfs/dbraw/zinc/33/40/58/170334058.db2.gz OUQZTIHUEVSQJT-SNVBAGLBSA-N 1 2 242.319 -0.046 20 0 BBADLO CCN(C[C@@H](C)O)C(=O)[C@H]1COCC[N@H+]1CC ZINC000341308593 386891812 /nfs/dbraw/zinc/89/18/12/386891812.db2.gz POCHPQQZVVBPQD-GHMZBOCLSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(C[C@@H](C)O)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000341308593 386891805 /nfs/dbraw/zinc/89/18/05/386891805.db2.gz POCHPQQZVVBPQD-GHMZBOCLSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(C[C@@H](C)O)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000341308594 386891787 /nfs/dbraw/zinc/89/17/87/386891787.db2.gz POCHPQQZVVBPQD-MNOVXSKESA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(C[C@@H](C)O)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000341308594 386891780 /nfs/dbraw/zinc/89/17/80/386891780.db2.gz POCHPQQZVVBPQD-MNOVXSKESA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(C[C@H](C)O)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000341308595 386891294 /nfs/dbraw/zinc/89/12/94/386891294.db2.gz POCHPQQZVVBPQD-QWRGUYRKSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(C[C@H](C)O)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000341308595 386891292 /nfs/dbraw/zinc/89/12/92/386891292.db2.gz POCHPQQZVVBPQD-QWRGUYRKSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(C[C@H](C)O)C(=O)[C@H]1COCC[N@H+]1CC ZINC000341308598 386891593 /nfs/dbraw/zinc/89/15/93/386891593.db2.gz POCHPQQZVVBPQD-WDEREUQCSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(C[C@H](C)O)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000341308598 386891590 /nfs/dbraw/zinc/89/15/90/386891590.db2.gz POCHPQQZVVBPQD-WDEREUQCSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(C[C@@H](C)O)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000341345049 386887224 /nfs/dbraw/zinc/88/72/24/386887224.db2.gz RDODHFQXVYUNOJ-GHMZBOCLSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(C[C@@H](C)O)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000341345052 386887890 /nfs/dbraw/zinc/88/78/90/386887890.db2.gz RDODHFQXVYUNOJ-MNOVXSKESA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(C[C@H](C)O)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000341345056 386887055 /nfs/dbraw/zinc/88/70/55/386887055.db2.gz RDODHFQXVYUNOJ-QWRGUYRKSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(C[C@H](C)O)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000341345059 386887580 /nfs/dbraw/zinc/88/75/80/386887580.db2.gz RDODHFQXVYUNOJ-WDEREUQCSA-N 1 2 244.335 -0.064 20 0 BBADLO COC(=O)c1cnc(NCCn2cc[nH+]c2)nc1 ZINC000341375146 412346800 /nfs/dbraw/zinc/34/68/00/412346800.db2.gz MZJKTSQFMIJCND-UHFFFAOYSA-N 1 2 247.258 0.572 20 0 BBADLO COC[C@H](O)C[N@H+]1C[C@H](OC)C[C@H]1C(=O)OC ZINC000341476707 386915865 /nfs/dbraw/zinc/91/58/65/386915865.db2.gz BJTMAZABURSEHJ-BBBLOLIVSA-N 1 2 247.291 -0.744 20 0 BBADLO COC[C@H](O)C[N@@H+]1C[C@H](OC)C[C@H]1C(=O)OC ZINC000341476707 386915860 /nfs/dbraw/zinc/91/58/60/386915860.db2.gz BJTMAZABURSEHJ-BBBLOLIVSA-N 1 2 247.291 -0.744 20 0 BBADLO COC[C@H](O)C[N@H+]1C[C@@H](OC)C[C@@H]1C(=O)OC ZINC000341476724 386916073 /nfs/dbraw/zinc/91/60/73/386916073.db2.gz BJTMAZABURSEHJ-KXUCPTDWSA-N 1 2 247.291 -0.744 20 0 BBADLO COC[C@H](O)C[N@@H+]1C[C@@H](OC)C[C@@H]1C(=O)OC ZINC000341476724 386916066 /nfs/dbraw/zinc/91/60/66/386916066.db2.gz BJTMAZABURSEHJ-KXUCPTDWSA-N 1 2 247.291 -0.744 20 0 BBADLO COC[C@H](O)C[N@H+]1C[C@H](OC)C[C@@H]1C(=O)OC ZINC000341476727 386916751 /nfs/dbraw/zinc/91/67/51/386916751.db2.gz BJTMAZABURSEHJ-OPRDCNLKSA-N 1 2 247.291 -0.744 20 0 BBADLO COC[C@H](O)C[N@@H+]1C[C@H](OC)C[C@@H]1C(=O)OC ZINC000341476727 386916748 /nfs/dbraw/zinc/91/67/48/386916748.db2.gz BJTMAZABURSEHJ-OPRDCNLKSA-N 1 2 247.291 -0.744 20 0 BBADLO COC[C@H](O)C[N@H+]1C[C@@H](OC)C[C@H]1C(=O)OC ZINC000341476729 386916840 /nfs/dbraw/zinc/91/68/40/386916840.db2.gz BJTMAZABURSEHJ-UTLUCORTSA-N 1 2 247.291 -0.744 20 0 BBADLO COC[C@H](O)C[N@@H+]1C[C@@H](OC)C[C@H]1C(=O)OC ZINC000341476729 386916838 /nfs/dbraw/zinc/91/68/38/386916838.db2.gz BJTMAZABURSEHJ-UTLUCORTSA-N 1 2 247.291 -0.744 20 0 BBADLO CCNC(=O)CC[N@@H+](C)Cc1nnnn1C ZINC000341551700 170050618 /nfs/dbraw/zinc/05/06/18/170050618.db2.gz SRIBPIWZGLQCMJ-UHFFFAOYSA-N 1 2 226.284 -0.832 20 0 BBADLO CCNC(=O)CC[N@H+](C)Cc1nnnn1C ZINC000341551700 170050617 /nfs/dbraw/zinc/05/06/17/170050617.db2.gz SRIBPIWZGLQCMJ-UHFFFAOYSA-N 1 2 226.284 -0.832 20 0 BBADLO COCC[NH+](CCOC)Cc1cn(C)nn1 ZINC000341593259 174295922 /nfs/dbraw/zinc/29/59/22/174295922.db2.gz ZWUORLVYZMYYHL-UHFFFAOYSA-N 1 2 228.296 -0.090 20 0 BBADLO CN(C)C(=O)CC[N@@H+](C)Cc1nnnn1C ZINC000341605603 386933834 /nfs/dbraw/zinc/93/38/34/386933834.db2.gz DNWABVUWINHHAP-UHFFFAOYSA-N 1 2 226.284 -0.880 20 0 BBADLO CN(C)C(=O)CC[N@H+](C)Cc1nnnn1C ZINC000341605603 386933831 /nfs/dbraw/zinc/93/38/31/386933831.db2.gz DNWABVUWINHHAP-UHFFFAOYSA-N 1 2 226.284 -0.880 20 0 BBADLO CC(C)OC(=O)CC[N@@H+](C)Cc1nnnn1C ZINC000341616626 167154456 /nfs/dbraw/zinc/15/44/56/167154456.db2.gz PTMYUJYSJHSCAR-UHFFFAOYSA-N 1 2 241.295 -0.016 20 0 BBADLO CC(C)OC(=O)CC[N@H+](C)Cc1nnnn1C ZINC000341616626 167154453 /nfs/dbraw/zinc/15/44/53/167154453.db2.gz PTMYUJYSJHSCAR-UHFFFAOYSA-N 1 2 241.295 -0.016 20 0 BBADLO CC(C)NC(=O)CC[N@@H+](C)Cc1nnnn1C ZINC000341628279 167038947 /nfs/dbraw/zinc/03/89/47/167038947.db2.gz ZUGLCBFRNWHOLA-UHFFFAOYSA-N 1 2 240.311 -0.443 20 0 BBADLO CC(C)NC(=O)CC[N@H+](C)Cc1nnnn1C ZINC000341628279 167038945 /nfs/dbraw/zinc/03/89/45/167038945.db2.gz ZUGLCBFRNWHOLA-UHFFFAOYSA-N 1 2 240.311 -0.443 20 0 BBADLO OCc1ccnc(NCC[NH+]2CCOCC2)n1 ZINC000341670615 386943354 /nfs/dbraw/zinc/94/33/54/386943354.db2.gz ZYVXDAYCBTZGPD-UHFFFAOYSA-N 1 2 238.291 -0.287 20 0 BBADLO Cn1cc[nH+]c1[C@H](NC(=O)CO)C1CC1 ZINC000341716208 386954977 /nfs/dbraw/zinc/95/49/77/386954977.db2.gz GVSFTVDNMZVNME-SECBINFHSA-N 1 2 209.249 -0.020 20 0 BBADLO Cn1cc[nH+]c1[C@@H](NC(=O)CO)C1CC1 ZINC000341716211 386954792 /nfs/dbraw/zinc/95/47/92/386954792.db2.gz GVSFTVDNMZVNME-VIFPVBQESA-N 1 2 209.249 -0.020 20 0 BBADLO CNC(=O)[C@@H]([NH2+]Cc1nccc(N)n1)C(C)C ZINC000341867801 411898291 /nfs/dbraw/zinc/89/82/91/411898291.db2.gz DSBNYWVBKOMKOZ-JTQLQIEISA-N 1 2 237.307 -0.081 20 0 BBADLO CNC(=O)[C@H]([NH2+]Cc1nccc(N)n1)C(C)C ZINC000341867802 411901284 /nfs/dbraw/zinc/90/12/84/411901284.db2.gz DSBNYWVBKOMKOZ-SNVBAGLBSA-N 1 2 237.307 -0.081 20 0 BBADLO CCOC(=O)CN1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000341886741 170221344 /nfs/dbraw/zinc/22/13/44/170221344.db2.gz HBECQMNAGAHVGD-ZJUUUORDSA-N 1 2 228.292 -0.436 20 0 BBADLO CCOC(=O)CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000341886741 170221343 /nfs/dbraw/zinc/22/13/43/170221343.db2.gz HBECQMNAGAHVGD-ZJUUUORDSA-N 1 2 228.292 -0.436 20 0 BBADLO CCOC(=O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000341908290 170214670 /nfs/dbraw/zinc/21/46/70/170214670.db2.gz JYKGCBAMPZCHBO-UHFFFAOYSA-N 1 2 231.296 -0.248 20 0 BBADLO CCOC(=O)C[N@H+](C)CCNC(=O)N(C)C ZINC000341908290 170214668 /nfs/dbraw/zinc/21/46/68/170214668.db2.gz JYKGCBAMPZCHBO-UHFFFAOYSA-N 1 2 231.296 -0.248 20 0 BBADLO CCOC(=O)C[N@H+]1CCSC[C@H]1CO ZINC000341913930 170219750 /nfs/dbraw/zinc/21/97/50/170219750.db2.gz XUIHUCWSORDLBG-MRVPVSSYSA-N 1 2 219.306 -0.041 20 0 BBADLO CCOC(=O)C[N@@H+]1CCSC[C@H]1CO ZINC000341913930 170219748 /nfs/dbraw/zinc/21/97/48/170219748.db2.gz XUIHUCWSORDLBG-MRVPVSSYSA-N 1 2 219.306 -0.041 20 0 BBADLO CCOC(=O)C[N@H+]1CCSC[C@@H]1CO ZINC000341913931 170220335 /nfs/dbraw/zinc/22/03/35/170220335.db2.gz XUIHUCWSORDLBG-QMMMGPOBSA-N 1 2 219.306 -0.041 20 0 BBADLO CCOC(=O)C[N@@H+]1CCSC[C@@H]1CO ZINC000341913931 170220333 /nfs/dbraw/zinc/22/03/33/170220333.db2.gz XUIHUCWSORDLBG-QMMMGPOBSA-N 1 2 219.306 -0.041 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)C[C@H](C)O ZINC000341915458 170001540 /nfs/dbraw/zinc/00/15/40/170001540.db2.gz ADNHVAMLJRHXOP-GARJFASQSA-N 1 2 244.335 -0.017 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)C[C@H](C)O ZINC000341915458 170001537 /nfs/dbraw/zinc/00/15/37/170001537.db2.gz ADNHVAMLJRHXOP-GARJFASQSA-N 1 2 244.335 -0.017 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)C[C@@H](C)O ZINC000341915460 170002127 /nfs/dbraw/zinc/00/21/27/170002127.db2.gz ADNHVAMLJRHXOP-GMTAPVOTSA-N 1 2 244.335 -0.017 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)C[C@@H](C)O ZINC000341915460 170002125 /nfs/dbraw/zinc/00/21/25/170002125.db2.gz ADNHVAMLJRHXOP-GMTAPVOTSA-N 1 2 244.335 -0.017 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)C[C@@H](C)O ZINC000341915462 170001676 /nfs/dbraw/zinc/00/16/76/170001676.db2.gz ADNHVAMLJRHXOP-HBNTYKKESA-N 1 2 244.335 -0.017 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)C[C@@H](C)O ZINC000341915462 170001675 /nfs/dbraw/zinc/00/16/75/170001675.db2.gz ADNHVAMLJRHXOP-HBNTYKKESA-N 1 2 244.335 -0.017 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)C[C@H](C)O ZINC000341915464 170002204 /nfs/dbraw/zinc/00/22/04/170002204.db2.gz ADNHVAMLJRHXOP-OUAUKWLOSA-N 1 2 244.335 -0.017 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)C[C@H](C)O ZINC000341915464 170002203 /nfs/dbraw/zinc/00/22/03/170002203.db2.gz ADNHVAMLJRHXOP-OUAUKWLOSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)C(=O)Nc1nn[nH]n1 ZINC000341935270 386999163 /nfs/dbraw/zinc/99/91/63/386999163.db2.gz VDIUTAFVRFRHNA-SSDOTTSWSA-N 1 2 240.267 -0.894 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1nn[nH]n1 ZINC000341935271 386998676 /nfs/dbraw/zinc/99/86/76/386998676.db2.gz VDIUTAFVRFRHNA-ZETCQYMHSA-N 1 2 240.267 -0.894 20 0 BBADLO CC(C)[C@@](C)(NC(=O)Cn1cc[nH+]c1)C(N)=O ZINC000341962613 387007237 /nfs/dbraw/zinc/00/72/37/387007237.db2.gz AOEHIFZWTSVVPL-LLVKDONJSA-N 1 2 238.291 -0.101 20 0 BBADLO CC(C)[C@](C)(NC(=O)Cn1cc[nH+]c1)C(N)=O ZINC000341962615 167526482 /nfs/dbraw/zinc/52/64/82/167526482.db2.gz AOEHIFZWTSVVPL-NSHDSACASA-N 1 2 238.291 -0.101 20 0 BBADLO Cn1nnc(C[N@H+]2CCC[C@@]23CCOC3)n1 ZINC000341968526 387009864 /nfs/dbraw/zinc/00/98/64/387009864.db2.gz MFAMHAJPKVNAND-JTQLQIEISA-N 1 2 223.280 -0.035 20 0 BBADLO Cn1nnc(C[N@@H+]2CCC[C@@]23CCOC3)n1 ZINC000341968526 387009860 /nfs/dbraw/zinc/00/98/60/387009860.db2.gz MFAMHAJPKVNAND-JTQLQIEISA-N 1 2 223.280 -0.035 20 0 BBADLO Cn1nnc(C[N@H+]2CCC[C@]23CCOC3)n1 ZINC000341968529 387011439 /nfs/dbraw/zinc/01/14/39/387011439.db2.gz MFAMHAJPKVNAND-SNVBAGLBSA-N 1 2 223.280 -0.035 20 0 BBADLO Cn1nnc(C[N@@H+]2CCC[C@]23CCOC3)n1 ZINC000341968529 387011437 /nfs/dbraw/zinc/01/14/37/387011437.db2.gz MFAMHAJPKVNAND-SNVBAGLBSA-N 1 2 223.280 -0.035 20 0 BBADLO C[NH+](C)C1CN(C(=O)C(C)(C)S(C)(=O)=O)C1 ZINC000342129548 385934486 /nfs/dbraw/zinc/93/44/86/385934486.db2.gz NMDYQPLWTKIKEE-UHFFFAOYSA-N 1 2 248.348 -0.418 20 0 BBADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(N)=O)CC1 ZINC000342192871 385941871 /nfs/dbraw/zinc/94/18/71/385941871.db2.gz MLZWMOVVICCUGQ-MRVPVSSYSA-N 1 2 240.307 -0.650 20 0 BBADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(N)=O)CC1 ZINC000342192872 385941823 /nfs/dbraw/zinc/94/18/23/385941823.db2.gz MLZWMOVVICCUGQ-QMMMGPOBSA-N 1 2 240.307 -0.650 20 0 BBADLO Cc1nc(N(C)Cc2nnnn2C)cc[nH+]1 ZINC000342193740 385943079 /nfs/dbraw/zinc/94/30/79/385943079.db2.gz CAKQHQGEKCKVRO-UHFFFAOYSA-N 1 2 219.252 -0.055 20 0 BBADLO Cc1cc(N(C)Cc2nnnn2C)nc[nH+]1 ZINC000342204119 178100026 /nfs/dbraw/zinc/10/00/26/178100026.db2.gz OVJGQRVTBLXWDU-UHFFFAOYSA-N 1 2 219.252 -0.055 20 0 BBADLO COC(=O)C(C)(C)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000342212603 385959448 /nfs/dbraw/zinc/95/94/48/385959448.db2.gz YZXLMTVKMTUOIX-SECBINFHSA-N 1 2 241.291 -0.215 20 0 BBADLO COC(=O)C(C)(C)[NH2+]C[C@H](O)Cn1cccn1 ZINC000342212604 385959144 /nfs/dbraw/zinc/95/91/44/385959144.db2.gz YZXLMTVKMTUOIX-VIFPVBQESA-N 1 2 241.291 -0.215 20 0 BBADLO C[C@H](O)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000342249238 385953358 /nfs/dbraw/zinc/95/33/58/385953358.db2.gz NLWMQRGTTUSVTL-DCAQKATOSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@H](O)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000342249239 385953818 /nfs/dbraw/zinc/95/38/18/385953818.db2.gz NLWMQRGTTUSVTL-GARJFASQSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@H](O)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000342249240 385954354 /nfs/dbraw/zinc/95/43/54/385954354.db2.gz NLWMQRGTTUSVTL-OUAUKWLOSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@H](O)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000342249241 385953792 /nfs/dbraw/zinc/95/37/92/385953792.db2.gz NLWMQRGTTUSVTL-VWYCJHECSA-N 1 2 242.319 -0.311 20 0 BBADLO CC(C)(O)CNC(=O)NCC[NH+]1CCOCC1 ZINC000342263432 135259552 /nfs/dbraw/zinc/25/95/52/135259552.db2.gz GNPXVGOMWLTUDP-UHFFFAOYSA-N 1 2 245.323 -0.611 20 0 BBADLO Cn1[nH]cnc1=NC(=O)NCCn1cc[nH+]c1 ZINC000342276083 135260440 /nfs/dbraw/zinc/26/04/40/135260440.db2.gz AYGQRLSVMWVVFW-UHFFFAOYSA-N 1 2 235.251 -0.745 20 0 BBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N=c1nc[nH]n1C ZINC000342276095 135260487 /nfs/dbraw/zinc/26/04/87/135260487.db2.gz BBJGYLBVQROWBI-MRVPVSSYSA-N 1 2 249.278 -0.356 20 0 BBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N=c1nc[nH]n1C ZINC000342276096 135260614 /nfs/dbraw/zinc/26/06/14/135260614.db2.gz BBJGYLBVQROWBI-QMMMGPOBSA-N 1 2 249.278 -0.356 20 0 BBADLO Cn1[nH]cnc1=NC(=O)NCCCn1cc[nH+]c1 ZINC000342279140 135255265 /nfs/dbraw/zinc/25/52/65/135255265.db2.gz GTTQTNAWWNZYJC-UHFFFAOYSA-N 1 2 249.278 -0.355 20 0 BBADLO CN(C(=O)CCn1cc[nH+]c1)[C@H]1COC[C@@H]1O ZINC000342325739 135263936 /nfs/dbraw/zinc/26/39/36/135263936.db2.gz RRKNPKNNVZUIFZ-UWVGGRQHSA-N 1 2 239.275 -0.509 20 0 BBADLO CN(C(=O)CCn1cc[nH+]c1)[C@H]1COC[C@H]1O ZINC000342325741 135263955 /nfs/dbraw/zinc/26/39/55/135263955.db2.gz RRKNPKNNVZUIFZ-VHSXEESVSA-N 1 2 239.275 -0.509 20 0 BBADLO CN(C(=O)CCn1cc[nH+]c1)[C@@H]1COC[C@@H]1O ZINC000342325742 135264040 /nfs/dbraw/zinc/26/40/40/135264040.db2.gz RRKNPKNNVZUIFZ-ZJUUUORDSA-N 1 2 239.275 -0.509 20 0 BBADLO CN(C(=O)Cn1cc[nH+]c1)[C@@H]1COC[C@@H]1O ZINC000342336959 135264792 /nfs/dbraw/zinc/26/47/92/135264792.db2.gz FFFRDBCOAONUMS-BDAKNGLRSA-N 1 2 225.248 -0.899 20 0 BBADLO CN(C(=O)Cn1cc[nH+]c1)[C@H]1COC[C@H]1O ZINC000342336998 135264955 /nfs/dbraw/zinc/26/49/55/135264955.db2.gz FFFRDBCOAONUMS-DTWKUNHWSA-N 1 2 225.248 -0.899 20 0 BBADLO CN(C(=O)Cn1cc[nH+]c1)[C@H]1COC[C@@H]1O ZINC000342337001 135265024 /nfs/dbraw/zinc/26/50/24/135265024.db2.gz FFFRDBCOAONUMS-IUCAKERBSA-N 1 2 225.248 -0.899 20 0 BBADLO CC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000342350056 535448518 /nfs/dbraw/zinc/44/85/18/535448518.db2.gz CKRWJRLHHXKCLM-BDAKNGLRSA-N 1 2 243.307 -0.059 20 0 BBADLO CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000342350056 535448515 /nfs/dbraw/zinc/44/85/15/535448515.db2.gz CKRWJRLHHXKCLM-BDAKNGLRSA-N 1 2 243.307 -0.059 20 0 BBADLO CC[C@H](C(=O)OC)[N@H+]1CC[C@H](NC(=O)NC)C1 ZINC000342350057 536103567 /nfs/dbraw/zinc/10/35/67/536103567.db2.gz CKRWJRLHHXKCLM-DTWKUNHWSA-N 1 2 243.307 -0.059 20 0 BBADLO CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](NC(=O)NC)C1 ZINC000342350057 536103563 /nfs/dbraw/zinc/10/35/63/536103563.db2.gz CKRWJRLHHXKCLM-DTWKUNHWSA-N 1 2 243.307 -0.059 20 0 BBADLO CC[C@@H](C(=O)OC)[N@H+]1CC[C@H](NC(=O)NC)C1 ZINC000342350058 535448458 /nfs/dbraw/zinc/44/84/58/535448458.db2.gz CKRWJRLHHXKCLM-IUCAKERBSA-N 1 2 243.307 -0.059 20 0 BBADLO CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](NC(=O)NC)C1 ZINC000342350058 535448453 /nfs/dbraw/zinc/44/84/53/535448453.db2.gz CKRWJRLHHXKCLM-IUCAKERBSA-N 1 2 243.307 -0.059 20 0 BBADLO CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000342350059 536102939 /nfs/dbraw/zinc/10/29/39/536102939.db2.gz CKRWJRLHHXKCLM-RKDXNWHRSA-N 1 2 243.307 -0.059 20 0 BBADLO CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000342350059 536102936 /nfs/dbraw/zinc/10/29/36/536102936.db2.gz CKRWJRLHHXKCLM-RKDXNWHRSA-N 1 2 243.307 -0.059 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCCOCC1 ZINC000342363951 538046564 /nfs/dbraw/zinc/04/65/64/538046564.db2.gz AZAOXASPHZYMSE-LLVKDONJSA-N 1 2 242.319 -0.044 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCCOCC1 ZINC000342363951 538046556 /nfs/dbraw/zinc/04/65/56/538046556.db2.gz AZAOXASPHZYMSE-LLVKDONJSA-N 1 2 242.319 -0.044 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCCOCC1 ZINC000342363953 538046544 /nfs/dbraw/zinc/04/65/44/538046544.db2.gz AZAOXASPHZYMSE-NSHDSACASA-N 1 2 242.319 -0.044 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCCOCC1 ZINC000342363953 538046538 /nfs/dbraw/zinc/04/65/38/538046538.db2.gz AZAOXASPHZYMSE-NSHDSACASA-N 1 2 242.319 -0.044 20 0 BBADLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2cn(C)nn2)C1 ZINC000342370249 536338555 /nfs/dbraw/zinc/33/85/55/536338555.db2.gz KOUNTOZAGIZAFS-MRVPVSSYSA-N 1 2 238.295 -0.682 20 0 BBADLO CNC(=O)N[C@@H]1CC[N@H+](Cc2cn(C)nn2)C1 ZINC000342370249 536338553 /nfs/dbraw/zinc/33/85/53/536338553.db2.gz KOUNTOZAGIZAFS-MRVPVSSYSA-N 1 2 238.295 -0.682 20 0 BBADLO CNC(=O)N[C@H]1CC[N@@H+](Cc2cn(C)nn2)C1 ZINC000342370250 135267352 /nfs/dbraw/zinc/26/73/52/135267352.db2.gz KOUNTOZAGIZAFS-QMMMGPOBSA-N 1 2 238.295 -0.682 20 0 BBADLO CNC(=O)N[C@H]1CC[N@H+](Cc2cn(C)nn2)C1 ZINC000342370250 135267350 /nfs/dbraw/zinc/26/73/50/135267350.db2.gz KOUNTOZAGIZAFS-QMMMGPOBSA-N 1 2 238.295 -0.682 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)[C@@H]1CCOC1 ZINC000342395257 135271176 /nfs/dbraw/zinc/27/11/76/135271176.db2.gz DPXPIGYWLJVMIW-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)[C@@H]1CCOC1 ZINC000342395257 135271174 /nfs/dbraw/zinc/27/11/74/135271174.db2.gz DPXPIGYWLJVMIW-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)[C@@H]1CCOC1 ZINC000342395258 135270668 /nfs/dbraw/zinc/27/06/68/135270668.db2.gz DPXPIGYWLJVMIW-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)[C@@H]1CCOC1 ZINC000342395258 135270667 /nfs/dbraw/zinc/27/06/67/135270667.db2.gz DPXPIGYWLJVMIW-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)[C@H]1CCOC1 ZINC000342395259 135270798 /nfs/dbraw/zinc/27/07/98/135270798.db2.gz DPXPIGYWLJVMIW-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)[C@H]1CCOC1 ZINC000342395259 135270796 /nfs/dbraw/zinc/27/07/96/135270796.db2.gz DPXPIGYWLJVMIW-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)[C@H]1CCOC1 ZINC000342395260 135270965 /nfs/dbraw/zinc/27/09/65/135270965.db2.gz DPXPIGYWLJVMIW-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)[C@H]1CCOC1 ZINC000342395260 135270964 /nfs/dbraw/zinc/27/09/64/135270964.db2.gz DPXPIGYWLJVMIW-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N[C@H](C)CC(N)=O ZINC000342413458 135266540 /nfs/dbraw/zinc/26/65/40/135266540.db2.gz LOYBFBGQXZWKFZ-BDAKNGLRSA-N 1 2 243.307 -0.913 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@H](C)CC(N)=O ZINC000342413458 135266539 /nfs/dbraw/zinc/26/65/39/135266539.db2.gz LOYBFBGQXZWKFZ-BDAKNGLRSA-N 1 2 243.307 -0.913 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)CC(N)=O ZINC000342413459 135266592 /nfs/dbraw/zinc/26/65/92/135266592.db2.gz LOYBFBGQXZWKFZ-DTWKUNHWSA-N 1 2 243.307 -0.913 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)CC(N)=O ZINC000342413459 135266591 /nfs/dbraw/zinc/26/65/91/135266591.db2.gz LOYBFBGQXZWKFZ-DTWKUNHWSA-N 1 2 243.307 -0.913 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N[C@@H](C)CC(N)=O ZINC000342413460 135266725 /nfs/dbraw/zinc/26/67/25/135266725.db2.gz LOYBFBGQXZWKFZ-IUCAKERBSA-N 1 2 243.307 -0.913 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H](C)CC(N)=O ZINC000342413460 135266724 /nfs/dbraw/zinc/26/67/24/135266724.db2.gz LOYBFBGQXZWKFZ-IUCAKERBSA-N 1 2 243.307 -0.913 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)CC(N)=O ZINC000342413461 135266931 /nfs/dbraw/zinc/26/69/31/135266931.db2.gz LOYBFBGQXZWKFZ-RKDXNWHRSA-N 1 2 243.307 -0.913 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)CC(N)=O ZINC000342413461 135266930 /nfs/dbraw/zinc/26/69/30/135266930.db2.gz LOYBFBGQXZWKFZ-RKDXNWHRSA-N 1 2 243.307 -0.913 20 0 BBADLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1COC[C@H]1O ZINC000342446093 135274721 /nfs/dbraw/zinc/27/47/21/135274721.db2.gz MIVLGVFUBHCTEV-NXEZZACHSA-N 1 2 239.275 -0.521 20 0 BBADLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1COC[C@@H]1O ZINC000342446095 135274772 /nfs/dbraw/zinc/27/47/72/135274772.db2.gz MIVLGVFUBHCTEV-UWVGGRQHSA-N 1 2 239.275 -0.521 20 0 BBADLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1COC[C@H]1O ZINC000342446097 135274611 /nfs/dbraw/zinc/27/46/11/135274611.db2.gz MIVLGVFUBHCTEV-VHSXEESVSA-N 1 2 239.275 -0.521 20 0 BBADLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1COC[C@@H]1O ZINC000342446099 135274414 /nfs/dbraw/zinc/27/44/14/135274414.db2.gz MIVLGVFUBHCTEV-ZJUUUORDSA-N 1 2 239.275 -0.521 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)CCO ZINC000342455585 135276271 /nfs/dbraw/zinc/27/62/71/135276271.db2.gz XTEYSWKUEPSOTA-NXEZZACHSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)CCO ZINC000342455585 135276270 /nfs/dbraw/zinc/27/62/70/135276270.db2.gz XTEYSWKUEPSOTA-NXEZZACHSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N[C@@H](C)CCO ZINC000342455591 135276390 /nfs/dbraw/zinc/27/63/90/135276390.db2.gz XTEYSWKUEPSOTA-UWVGGRQHSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H](C)CCO ZINC000342455591 135276389 /nfs/dbraw/zinc/27/63/89/135276389.db2.gz XTEYSWKUEPSOTA-UWVGGRQHSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)CCO ZINC000342455597 135276374 /nfs/dbraw/zinc/27/63/74/135276374.db2.gz XTEYSWKUEPSOTA-VHSXEESVSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)CCO ZINC000342455597 135276373 /nfs/dbraw/zinc/27/63/73/135276373.db2.gz XTEYSWKUEPSOTA-VHSXEESVSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N[C@H](C)CCO ZINC000342455609 135276178 /nfs/dbraw/zinc/27/61/78/135276178.db2.gz XTEYSWKUEPSOTA-ZJUUUORDSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@H](C)CCO ZINC000342455609 135276176 /nfs/dbraw/zinc/27/61/76/135276176.db2.gz XTEYSWKUEPSOTA-ZJUUUORDSA-N 1 2 230.308 -0.406 20 0 BBADLO CNC(=O)CN(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342469746 135278356 /nfs/dbraw/zinc/27/83/56/135278356.db2.gz GMZCFNWPYHRONK-PHIMTYICSA-N 1 2 241.335 -0.473 20 0 BBADLO CNC(=O)CN(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342469746 135278355 /nfs/dbraw/zinc/27/83/55/135278355.db2.gz GMZCFNWPYHRONK-PHIMTYICSA-N 1 2 241.335 -0.473 20 0 BBADLO CN(C)c1nccc(C[N@@H+](C)CC(N)=O)n1 ZINC000342475783 135278332 /nfs/dbraw/zinc/27/83/32/135278332.db2.gz ZBNOJVWBZMNTBG-UHFFFAOYSA-N 1 2 223.280 -0.540 20 0 BBADLO CN(C)c1nccc(C[N@H+](C)CC(N)=O)n1 ZINC000342475783 135278331 /nfs/dbraw/zinc/27/83/31/135278331.db2.gz ZBNOJVWBZMNTBG-UHFFFAOYSA-N 1 2 223.280 -0.540 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](OC)C1 ZINC000342574439 135291575 /nfs/dbraw/zinc/29/15/75/135291575.db2.gz SJZRUCPWDCMVPX-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](OC)C1 ZINC000342574439 135291573 /nfs/dbraw/zinc/29/15/73/135291573.db2.gz SJZRUCPWDCMVPX-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](OC)C1 ZINC000342574440 135290897 /nfs/dbraw/zinc/29/08/97/135290897.db2.gz SJZRUCPWDCMVPX-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](OC)C1 ZINC000342574440 135290895 /nfs/dbraw/zinc/29/08/95/135290895.db2.gz SJZRUCPWDCMVPX-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@H](OC)C1 ZINC000342574441 135291458 /nfs/dbraw/zinc/29/14/58/135291458.db2.gz SJZRUCPWDCMVPX-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@H](OC)C1 ZINC000342574441 135291457 /nfs/dbraw/zinc/29/14/57/135291457.db2.gz SJZRUCPWDCMVPX-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](OC)C1 ZINC000342574442 135291298 /nfs/dbraw/zinc/29/12/98/135291298.db2.gz SJZRUCPWDCMVPX-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](OC)C1 ZINC000342574442 135291296 /nfs/dbraw/zinc/29/12/96/135291296.db2.gz SJZRUCPWDCMVPX-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@](C)(O)C1 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PAMMQAUQJMICOX-UHFFFAOYSA-N 1 2 238.291 -0.095 20 0 BBADLO O=c1cc(C[N@@H+]2CCC[C@H]2CO)nc2cc[nH]n21 ZINC000343035947 352943830 /nfs/dbraw/zinc/94/38/30/352943830.db2.gz WXGLWVHOANYUEW-JTQLQIEISA-N 1 2 248.286 -0.021 20 0 BBADLO O=c1cc(C[N@H+]2CCC[C@H]2CO)nc2cc[nH]n21 ZINC000343035947 352943827 /nfs/dbraw/zinc/94/38/27/352943827.db2.gz WXGLWVHOANYUEW-JTQLQIEISA-N 1 2 248.286 -0.021 20 0 BBADLO CC[N@@H+](CCO)Cc1cc(=O)n2[nH]ccc2n1 ZINC000343041563 352952462 /nfs/dbraw/zinc/95/24/62/352952462.db2.gz HWMSURKKJZXPNW-UHFFFAOYSA-N 1 2 236.275 -0.163 20 0 BBADLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)C(N)=O ZINC000343062713 135355519 /nfs/dbraw/zinc/35/55/19/135355519.db2.gz HRRSLDBLKWPBEA-HTQZYQBOSA-N 1 2 245.348 -0.586 20 0 BBADLO C[C@H](C(=O)N[C@@H](C)C(N)=O)[NH+]1CCSCC1 ZINC000343062714 135355549 /nfs/dbraw/zinc/35/55/49/135355549.db2.gz HRRSLDBLKWPBEA-JGVFFNPUSA-N 1 2 245.348 -0.586 20 0 BBADLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCSCC1)C(N)=O ZINC000343062715 135355204 /nfs/dbraw/zinc/35/52/04/135355204.db2.gz HRRSLDBLKWPBEA-SFYZADRCSA-N 1 2 245.348 -0.586 20 0 BBADLO C[C@H](NC(=O)[C@H](C)[NH+]1CCSCC1)C(N)=O ZINC000343062716 135355796 /nfs/dbraw/zinc/35/57/96/135355796.db2.gz HRRSLDBLKWPBEA-YUMQZZPRSA-N 1 2 245.348 -0.586 20 0 BBADLO C[N@@H+](CC(=O)Nc1nn[nH]n1)[C@H]1CCSC1 ZINC000343126650 135359379 /nfs/dbraw/zinc/35/93/79/135359379.db2.gz DLRNCOKGXOOALQ-LURJTMIESA-N 1 2 242.308 -0.425 20 0 BBADLO C[N@H+](CC(=O)Nc1nn[nH]n1)[C@H]1CCSC1 ZINC000343126650 135359378 /nfs/dbraw/zinc/35/93/78/135359378.db2.gz DLRNCOKGXOOALQ-LURJTMIESA-N 1 2 242.308 -0.425 20 0 BBADLO C[N@@H+](CC(=O)Nc1nn[nH]n1)[C@@H]1CCSC1 ZINC000343126651 135359337 /nfs/dbraw/zinc/35/93/37/135359337.db2.gz DLRNCOKGXOOALQ-ZCFIWIBFSA-N 1 2 242.308 -0.425 20 0 BBADLO C[N@H+](CC(=O)Nc1nn[nH]n1)[C@@H]1CCSC1 ZINC000343126651 135359336 /nfs/dbraw/zinc/35/93/36/135359336.db2.gz DLRNCOKGXOOALQ-ZCFIWIBFSA-N 1 2 242.308 -0.425 20 0 BBADLO CN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)CC(N)=O ZINC000343146371 135360721 /nfs/dbraw/zinc/36/07/21/135360721.db2.gz ZKZMVHFBSKTEQY-AOOOYVTPSA-N 1 2 227.308 -0.733 20 0 BBADLO CN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)CC(N)=O ZINC000343146371 135360720 /nfs/dbraw/zinc/36/07/20/135360720.db2.gz ZKZMVHFBSKTEQY-AOOOYVTPSA-N 1 2 227.308 -0.733 20 0 BBADLO Cn1cc(C[NH2+]CC(=O)NCc2ccco2)nn1 ZINC000343160215 135363665 /nfs/dbraw/zinc/36/36/65/135363665.db2.gz VYRVTFOJGRKYSO-UHFFFAOYSA-N 1 2 249.274 -0.186 20 0 BBADLO Cc1nc2[nH]ccc2c(N[C@H](CO)C(N)=O)[nH+]1 ZINC000343246282 386600129 /nfs/dbraw/zinc/60/01/29/386600129.db2.gz DSOYOQSUKJIABE-SSDOTTSWSA-N 1 2 235.247 -0.476 20 0 BBADLO Cc1nc2[nH]ccc2c(N[C@@H](CO)C(N)=O)[nH+]1 ZINC000343246284 386600804 /nfs/dbraw/zinc/60/08/04/386600804.db2.gz DSOYOQSUKJIABE-ZETCQYMHSA-N 1 2 235.247 -0.476 20 0 BBADLO Cc1cc(N[C@H](CO)C(N)=O)nc(C(C)C)[nH+]1 ZINC000343255797 411658014 /nfs/dbraw/zinc/65/80/14/411658014.db2.gz WAJPUXNPBXKMBK-MRVPVSSYSA-N 1 2 238.291 0.167 20 0 BBADLO Cc1cc(N[C@@H](CO)C(N)=O)nc(C(C)C)[nH+]1 ZINC000343255804 411164444 /nfs/dbraw/zinc/16/44/44/411164444.db2.gz WAJPUXNPBXKMBK-QMMMGPOBSA-N 1 2 238.291 0.167 20 0 BBADLO Cc1cc(N[C@H](CO)C(N)=O)nc(C2CC2)[nH+]1 ZINC000343262075 411657192 /nfs/dbraw/zinc/65/71/92/411657192.db2.gz GIQNWYGCMUNPGH-MRVPVSSYSA-N 1 2 236.275 -0.079 20 0 BBADLO Cc1cc(N[C@@H](CO)C(N)=O)nc(C2CC2)[nH+]1 ZINC000343262077 411658724 /nfs/dbraw/zinc/65/87/24/411658724.db2.gz GIQNWYGCMUNPGH-QMMMGPOBSA-N 1 2 236.275 -0.079 20 0 BBADLO CCCNC(=O)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000343272269 353294761 /nfs/dbraw/zinc/29/47/61/353294761.db2.gz FZYUIOPTSRZRIX-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CCCNC(=O)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000343272269 353294757 /nfs/dbraw/zinc/29/47/57/353294757.db2.gz FZYUIOPTSRZRIX-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CCCNC(=O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000343272271 353294651 /nfs/dbraw/zinc/29/46/51/353294651.db2.gz FZYUIOPTSRZRIX-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO CCCNC(=O)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000343272271 353294648 /nfs/dbraw/zinc/29/46/48/353294648.db2.gz FZYUIOPTSRZRIX-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO COC(=O)CN(C)CCC[N@@H+](C)CC(=O)OC ZINC000343284080 353351146 /nfs/dbraw/zinc/35/11/46/353351146.db2.gz ATEFPCTXVRBFIM-UHFFFAOYSA-N 1 2 246.307 -0.414 20 0 BBADLO COC(=O)CN(C)CCC[N@H+](C)CC(=O)OC ZINC000343284080 353351145 /nfs/dbraw/zinc/35/11/45/353351145.db2.gz ATEFPCTXVRBFIM-UHFFFAOYSA-N 1 2 246.307 -0.414 20 0 BBADLO CCNC(=O)C[N@@H+](CC)[C@@H]1CCCNC1=O ZINC000343286162 353355229 /nfs/dbraw/zinc/35/52/29/353355229.db2.gz JIDLEHPRAYUXIF-SECBINFHSA-N 1 2 227.308 -0.277 20 0 BBADLO CCNC(=O)C[N@H+](CC)[C@@H]1CCCNC1=O ZINC000343286162 353355227 /nfs/dbraw/zinc/35/52/27/353355227.db2.gz JIDLEHPRAYUXIF-SECBINFHSA-N 1 2 227.308 -0.277 20 0 BBADLO CCNC(=O)C[N@@H+](CC)[C@H]1CCCNC1=O ZINC000343286163 353355274 /nfs/dbraw/zinc/35/52/74/353355274.db2.gz JIDLEHPRAYUXIF-VIFPVBQESA-N 1 2 227.308 -0.277 20 0 BBADLO CCNC(=O)C[N@H+](CC)[C@H]1CCCNC1=O ZINC000343286163 353355271 /nfs/dbraw/zinc/35/52/71/353355271.db2.gz JIDLEHPRAYUXIF-VIFPVBQESA-N 1 2 227.308 -0.277 20 0 BBADLO CCCC(=O)NCC(=O)NCc1[nH+]ccn1C ZINC000343303845 353495716 /nfs/dbraw/zinc/49/57/16/353495716.db2.gz SRUKEDPMCZZEFE-UHFFFAOYSA-N 1 2 238.291 -0.047 20 0 BBADLO C[C@@H](O)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000343336647 353776023 /nfs/dbraw/zinc/77/60/23/353776023.db2.gz PGYAXNNQYFQPSS-PSASIEDQSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@@H](O)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000343336647 353776021 /nfs/dbraw/zinc/77/60/21/353776021.db2.gz PGYAXNNQYFQPSS-PSASIEDQSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@@H](O)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000343336652 398261550 /nfs/dbraw/zinc/26/15/50/398261550.db2.gz PGYAXNNQYFQPSS-SCZZXKLOSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@@H](O)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000343336652 398261548 /nfs/dbraw/zinc/26/15/48/398261548.db2.gz PGYAXNNQYFQPSS-SCZZXKLOSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@H](O)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000343336653 398261250 /nfs/dbraw/zinc/26/12/50/398261250.db2.gz PGYAXNNQYFQPSS-WCBMZHEXSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@H](O)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000343336653 398261244 /nfs/dbraw/zinc/26/12/44/398261244.db2.gz PGYAXNNQYFQPSS-WCBMZHEXSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@H](O)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000343336654 398261270 /nfs/dbraw/zinc/26/12/70/398261270.db2.gz PGYAXNNQYFQPSS-WPRPVWTQSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@H](O)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000343336654 398261265 /nfs/dbraw/zinc/26/12/65/398261265.db2.gz PGYAXNNQYFQPSS-WPRPVWTQSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000343413099 388500247 /nfs/dbraw/zinc/50/02/47/388500247.db2.gz HOFXWOUZMPLELK-BQBZGAKWSA-N 1 2 239.279 -0.485 20 0 BBADLO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000343413100 388500078 /nfs/dbraw/zinc/50/00/78/388500078.db2.gz HOFXWOUZMPLELK-NKWVEPMBSA-N 1 2 239.279 -0.485 20 0 BBADLO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000343413101 388499915 /nfs/dbraw/zinc/49/99/15/388499915.db2.gz HOFXWOUZMPLELK-RNFRBKRXSA-N 1 2 239.279 -0.485 20 0 BBADLO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000343413102 388500368 /nfs/dbraw/zinc/50/03/68/388500368.db2.gz HOFXWOUZMPLELK-RQJHMYQMSA-N 1 2 239.279 -0.485 20 0 BBADLO C[C@@H]1[C@@H](NC(=O)CS(C)(=O)=O)CCC[N@H+]1C ZINC000343439844 353887663 /nfs/dbraw/zinc/88/76/63/353887663.db2.gz BBIADDHWENXBAY-BDAKNGLRSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@@H]1[C@@H](NC(=O)CS(C)(=O)=O)CCC[N@@H+]1C ZINC000343439844 353887660 /nfs/dbraw/zinc/88/76/60/353887660.db2.gz BBIADDHWENXBAY-BDAKNGLRSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@H]1[C@H](NC(=O)CS(C)(=O)=O)CCC[N@H+]1C ZINC000343439866 353887528 /nfs/dbraw/zinc/88/75/28/353887528.db2.gz BBIADDHWENXBAY-DTWKUNHWSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@H]1[C@H](NC(=O)CS(C)(=O)=O)CCC[N@@H+]1C ZINC000343439866 353887526 /nfs/dbraw/zinc/88/75/26/353887526.db2.gz BBIADDHWENXBAY-DTWKUNHWSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@H]1[C@@H](NC(=O)CS(C)(=O)=O)CCC[N@H+]1C ZINC000343439868 353887849 /nfs/dbraw/zinc/88/78/49/353887849.db2.gz BBIADDHWENXBAY-IUCAKERBSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@H]1[C@@H](NC(=O)CS(C)(=O)=O)CCC[N@@H+]1C ZINC000343439868 353887845 /nfs/dbraw/zinc/88/78/45/353887845.db2.gz BBIADDHWENXBAY-IUCAKERBSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@@H]1[C@H](NC(=O)CS(C)(=O)=O)CCC[N@H+]1C ZINC000343439871 353887494 /nfs/dbraw/zinc/88/74/94/353887494.db2.gz BBIADDHWENXBAY-RKDXNWHRSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@@H]1[C@H](NC(=O)CS(C)(=O)=O)CCC[N@@H+]1C ZINC000343439871 353887492 /nfs/dbraw/zinc/88/74/92/353887492.db2.gz BBIADDHWENXBAY-RKDXNWHRSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@H](C(=O)N(C)CCC(N)=O)[NH+]1CCOCC1 ZINC000343508524 353922627 /nfs/dbraw/zinc/92/26/27/353922627.db2.gz SQEKGVONTUDFSR-SECBINFHSA-N 1 2 243.307 -0.959 20 0 BBADLO C[C@@H](C(=O)N(C)CCC(N)=O)[NH+]1CCOCC1 ZINC000343508525 353922698 /nfs/dbraw/zinc/92/26/98/353922698.db2.gz SQEKGVONTUDFSR-VIFPVBQESA-N 1 2 243.307 -0.959 20 0 BBADLO C[NH+]1CCN(C(=O)C(=O)Nc2cncnc2)CC1 ZINC000343551148 353919171 /nfs/dbraw/zinc/91/91/71/353919171.db2.gz SUEICTHLVHVQKP-UHFFFAOYSA-N 1 2 249.274 -0.811 20 0 BBADLO CCOC(=O)CCC[N@@H+](C)Cc1nnnn1C ZINC000343579979 353938917 /nfs/dbraw/zinc/93/89/17/353938917.db2.gz OEOLMMISAZQXPW-UHFFFAOYSA-N 1 2 241.295 -0.015 20 0 BBADLO CCOC(=O)CCC[N@H+](C)Cc1nnnn1C ZINC000343579979 353938915 /nfs/dbraw/zinc/93/89/15/353938915.db2.gz OEOLMMISAZQXPW-UHFFFAOYSA-N 1 2 241.295 -0.015 20 0 BBADLO O=C(Nc1cc[nH+]cc1O)[C@H]1CCCC(=O)N1 ZINC000343583458 353939968 /nfs/dbraw/zinc/93/99/68/353939968.db2.gz NGLINQGEUNRRGP-MRVPVSSYSA-N 1 2 235.243 -0.184 20 0 BBADLO O=C(Nc1cc[nH+]cc1O)[C@@H]1CCCC(=O)N1 ZINC000343583462 353939618 /nfs/dbraw/zinc/93/96/18/353939618.db2.gz NGLINQGEUNRRGP-QMMMGPOBSA-N 1 2 235.243 -0.184 20 0 BBADLO CCCCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)NC ZINC000343594135 353942663 /nfs/dbraw/zinc/94/26/63/353942663.db2.gz YIAPVYCEAJHFTE-SECBINFHSA-N 1 2 229.324 -0.031 20 0 BBADLO CCCCNC(=O)[C@@H](C)[N@H+](C)CC(=O)NC ZINC000343594135 353942660 /nfs/dbraw/zinc/94/26/60/353942660.db2.gz YIAPVYCEAJHFTE-SECBINFHSA-N 1 2 229.324 -0.031 20 0 BBADLO CCCCNC(=O)[C@H](C)[N@@H+](C)CC(=O)NC ZINC000343594136 353942475 /nfs/dbraw/zinc/94/24/75/353942475.db2.gz YIAPVYCEAJHFTE-VIFPVBQESA-N 1 2 229.324 -0.031 20 0 BBADLO CCCCNC(=O)[C@H](C)[N@H+](C)CC(=O)NC ZINC000343594136 353942471 /nfs/dbraw/zinc/94/24/71/353942471.db2.gz YIAPVYCEAJHFTE-VIFPVBQESA-N 1 2 229.324 -0.031 20 0 BBADLO CNC(=O)C[N@@H+](C)[C@H](C)C(=O)NCCCOC ZINC000343594769 353942337 /nfs/dbraw/zinc/94/23/37/353942337.db2.gz YPAYRXVASNZKDB-SECBINFHSA-N 1 2 245.323 -0.795 20 0 BBADLO CNC(=O)C[N@H+](C)[C@H](C)C(=O)NCCCOC ZINC000343594769 353942335 /nfs/dbraw/zinc/94/23/35/353942335.db2.gz YPAYRXVASNZKDB-SECBINFHSA-N 1 2 245.323 -0.795 20 0 BBADLO CNC(=O)C[N@@H+](C)[C@@H](C)C(=O)NCCCOC ZINC000343594775 353942680 /nfs/dbraw/zinc/94/26/80/353942680.db2.gz YPAYRXVASNZKDB-VIFPVBQESA-N 1 2 245.323 -0.795 20 0 BBADLO CNC(=O)C[N@H+](C)[C@@H](C)C(=O)NCCCOC ZINC000343594775 353942678 /nfs/dbraw/zinc/94/26/78/353942678.db2.gz YPAYRXVASNZKDB-VIFPVBQESA-N 1 2 245.323 -0.795 20 0 BBADLO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1nnnn1C ZINC000343645915 353952472 /nfs/dbraw/zinc/95/24/72/353952472.db2.gz DTLNEVCORMWNRG-MRVPVSSYSA-N 1 2 241.295 -0.016 20 0 BBADLO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1nnnn1C ZINC000343645915 353952470 /nfs/dbraw/zinc/95/24/70/353952470.db2.gz DTLNEVCORMWNRG-MRVPVSSYSA-N 1 2 241.295 -0.016 20 0 BBADLO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1nnnn1C ZINC000343645918 353952403 /nfs/dbraw/zinc/95/24/03/353952403.db2.gz DTLNEVCORMWNRG-QMMMGPOBSA-N 1 2 241.295 -0.016 20 0 BBADLO CCOC(=O)C[C@H](C)[N@H+](C)Cc1nnnn1C ZINC000343645918 353952400 /nfs/dbraw/zinc/95/24/00/353952400.db2.gz DTLNEVCORMWNRG-QMMMGPOBSA-N 1 2 241.295 -0.016 20 0 BBADLO CCN1CC[N@@H+](C[C@@](C)(O)C(=O)OC)CC1=O ZINC000343679124 353961525 /nfs/dbraw/zinc/96/15/25/353961525.db2.gz DBYCMCSIPQFVKQ-LLVKDONJSA-N 1 2 244.291 -0.926 20 0 BBADLO CCN1CC[N@H+](C[C@@](C)(O)C(=O)OC)CC1=O ZINC000343679124 353961523 /nfs/dbraw/zinc/96/15/23/353961523.db2.gz DBYCMCSIPQFVKQ-LLVKDONJSA-N 1 2 244.291 -0.926 20 0 BBADLO CCN1CC[N@@H+](C[C@](C)(O)C(=O)OC)CC1=O ZINC000343679126 353961569 /nfs/dbraw/zinc/96/15/69/353961569.db2.gz DBYCMCSIPQFVKQ-NSHDSACASA-N 1 2 244.291 -0.926 20 0 BBADLO CCN1CC[N@H+](C[C@](C)(O)C(=O)OC)CC1=O ZINC000343679126 353961566 /nfs/dbraw/zinc/96/15/66/353961566.db2.gz DBYCMCSIPQFVKQ-NSHDSACASA-N 1 2 244.291 -0.926 20 0 BBADLO COC(=O)C[N@@H+](C[C@@](C)(O)C(=O)OC)C1CC1 ZINC000343739421 353969315 /nfs/dbraw/zinc/96/93/15/353969315.db2.gz CYCCHOUUFSWVMH-LLVKDONJSA-N 1 2 245.275 -0.452 20 0 BBADLO COC(=O)C[N@H+](C[C@@](C)(O)C(=O)OC)C1CC1 ZINC000343739421 353969314 /nfs/dbraw/zinc/96/93/14/353969314.db2.gz CYCCHOUUFSWVMH-LLVKDONJSA-N 1 2 245.275 -0.452 20 0 BBADLO COC(=O)C[N@@H+](C[C@](C)(O)C(=O)OC)C1CC1 ZINC000343739422 353969380 /nfs/dbraw/zinc/96/93/80/353969380.db2.gz CYCCHOUUFSWVMH-NSHDSACASA-N 1 2 245.275 -0.452 20 0 BBADLO COC(=O)C[N@H+](C[C@](C)(O)C(=O)OC)C1CC1 ZINC000343739422 353969377 /nfs/dbraw/zinc/96/93/77/353969377.db2.gz CYCCHOUUFSWVMH-NSHDSACASA-N 1 2 245.275 -0.452 20 0 BBADLO COC(=O)C[N@@H+](CCN1CCNC1=O)C1CC1 ZINC000343746611 353971071 /nfs/dbraw/zinc/97/10/71/353971071.db2.gz QVDHXAPBIYJGMQ-UHFFFAOYSA-N 1 2 241.291 -0.351 20 0 BBADLO COC(=O)C[N@H+](CCN1CCNC1=O)C1CC1 ZINC000343746611 353971067 /nfs/dbraw/zinc/97/10/67/353971067.db2.gz QVDHXAPBIYJGMQ-UHFFFAOYSA-N 1 2 241.291 -0.351 20 0 BBADLO O=c1[nH]nc(C2CC[NH+](CCO)CC2)[nH]1 ZINC000343747671 353970942 /nfs/dbraw/zinc/97/09/42/353970942.db2.gz SVSDJNFXWNJPAO-UHFFFAOYSA-N 1 2 212.253 -0.318 20 0 BBADLO C[C@@H](C(N)=O)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000343754414 353972857 /nfs/dbraw/zinc/97/28/57/353972857.db2.gz VLGCPGVULTWECQ-LURJTMIESA-N 1 2 239.279 -0.437 20 0 BBADLO C[C@H](C(N)=O)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000343754415 353972541 /nfs/dbraw/zinc/97/25/41/353972541.db2.gz VLGCPGVULTWECQ-ZCFIWIBFSA-N 1 2 239.279 -0.437 20 0 BBADLO COC(=O)[C@H]([NH2+]CCN1CCNC1=O)C1CC1 ZINC000343757248 353974183 /nfs/dbraw/zinc/97/41/83/353974183.db2.gz NWTFBAJYJKSYDQ-SECBINFHSA-N 1 2 241.291 -0.447 20 0 BBADLO COC(=O)[C@@H]([NH2+]CCN1CCNC1=O)C1CC1 ZINC000343757257 353974199 /nfs/dbraw/zinc/97/41/99/353974199.db2.gz NWTFBAJYJKSYDQ-VIFPVBQESA-N 1 2 241.291 -0.447 20 0 BBADLO Cn1nccc1C[N@@H+](C)CCN1CCNC1=O ZINC000343762043 353976909 /nfs/dbraw/zinc/97/69/09/353976909.db2.gz FVRKIRMENYMFJC-UHFFFAOYSA-N 1 2 237.307 -0.123 20 0 BBADLO Cn1nccc1C[N@H+](C)CCN1CCNC1=O ZINC000343762043 353976907 /nfs/dbraw/zinc/97/69/07/353976907.db2.gz FVRKIRMENYMFJC-UHFFFAOYSA-N 1 2 237.307 -0.123 20 0 BBADLO CC[C@@]1(C(=O)NCc2n[nH]c(=O)[nH]2)CCC[NH2+]1 ZINC000343786804 385231131 /nfs/dbraw/zinc/23/11/31/385231131.db2.gz JBGCZIBJOPWOLU-JTQLQIEISA-N 1 2 239.279 -0.341 20 0 BBADLO CC[C@]1(C(=O)NCc2n[nH]c(=O)[nH]2)CCC[NH2+]1 ZINC000343786806 535880948 /nfs/dbraw/zinc/88/09/48/535880948.db2.gz JBGCZIBJOPWOLU-SNVBAGLBSA-N 1 2 239.279 -0.341 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@H+]1CCc2nn[nH]c2C1 ZINC000343804469 354009263 /nfs/dbraw/zinc/00/92/63/354009263.db2.gz IIFRLPHMOHBNGR-JTQLQIEISA-N 1 2 240.263 -0.913 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@@H+]1CCc2nn[nH]c2C1 ZINC000343804469 354009260 /nfs/dbraw/zinc/00/92/60/354009260.db2.gz IIFRLPHMOHBNGR-JTQLQIEISA-N 1 2 240.263 -0.913 20 0 BBADLO COC(=O)[C@](C)(O)C[N@H+]1CCc2nn[nH]c2C1 ZINC000343804470 354009144 /nfs/dbraw/zinc/00/91/44/354009144.db2.gz IIFRLPHMOHBNGR-SNVBAGLBSA-N 1 2 240.263 -0.913 20 0 BBADLO COC(=O)[C@](C)(O)C[N@@H+]1CCc2nn[nH]c2C1 ZINC000343804470 354009143 /nfs/dbraw/zinc/00/91/43/354009143.db2.gz IIFRLPHMOHBNGR-SNVBAGLBSA-N 1 2 240.263 -0.913 20 0 BBADLO COC(=O)[C@](C)(O)C[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000343814406 354012574 /nfs/dbraw/zinc/01/25/74/354012574.db2.gz LCLUYYQNRUSWEJ-GZMMTYOYSA-N 1 2 244.291 -0.927 20 0 BBADLO COC(=O)[C@](C)(O)C[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000343814406 354012573 /nfs/dbraw/zinc/01/25/73/354012573.db2.gz LCLUYYQNRUSWEJ-GZMMTYOYSA-N 1 2 244.291 -0.927 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000343814408 386740302 /nfs/dbraw/zinc/74/03/02/386740302.db2.gz LCLUYYQNRUSWEJ-KCJUWKMLSA-N 1 2 244.291 -0.927 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000343814408 386740292 /nfs/dbraw/zinc/74/02/92/386740292.db2.gz LCLUYYQNRUSWEJ-KCJUWKMLSA-N 1 2 244.291 -0.927 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000343814410 354012268 /nfs/dbraw/zinc/01/22/68/354012268.db2.gz LCLUYYQNRUSWEJ-KWQFWETISA-N 1 2 244.291 -0.927 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000343814410 354012266 /nfs/dbraw/zinc/01/22/66/354012266.db2.gz LCLUYYQNRUSWEJ-KWQFWETISA-N 1 2 244.291 -0.927 20 0 BBADLO COC(=O)[C@](C)(O)C[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000343814414 354012526 /nfs/dbraw/zinc/01/25/26/354012526.db2.gz LCLUYYQNRUSWEJ-LDYMZIIASA-N 1 2 244.291 -0.927 20 0 BBADLO COC(=O)[C@](C)(O)C[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000343814414 354012522 /nfs/dbraw/zinc/01/25/22/354012522.db2.gz LCLUYYQNRUSWEJ-LDYMZIIASA-N 1 2 244.291 -0.927 20 0 BBADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCN1CCNC1=O ZINC000343815913 354013125 /nfs/dbraw/zinc/01/31/25/354013125.db2.gz LRKGBXQCYYVOOR-SECBINFHSA-N 1 2 240.307 -0.826 20 0 BBADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCN1CCNC1=O ZINC000343815913 354013123 /nfs/dbraw/zinc/01/31/23/354013123.db2.gz LRKGBXQCYYVOOR-SECBINFHSA-N 1 2 240.307 -0.826 20 0 BBADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCN1CCNC1=O ZINC000343815914 354013024 /nfs/dbraw/zinc/01/30/24/354013024.db2.gz LRKGBXQCYYVOOR-VIFPVBQESA-N 1 2 240.307 -0.826 20 0 BBADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCN1CCNC1=O ZINC000343815914 354013023 /nfs/dbraw/zinc/01/30/23/354013023.db2.gz LRKGBXQCYYVOOR-VIFPVBQESA-N 1 2 240.307 -0.826 20 0 BBADLO COC(=O)C1(C(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000343826134 354015056 /nfs/dbraw/zinc/01/50/56/354015056.db2.gz ZBOBWNZWDKXHPI-UHFFFAOYSA-N 1 2 223.232 -0.021 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+](C)CCN1CCNC1=O ZINC000343860107 354024994 /nfs/dbraw/zinc/02/49/94/354024994.db2.gz LMGCTCZQQJLNNS-VIFPVBQESA-N 1 2 243.307 -0.105 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+](C)CCN1CCNC1=O ZINC000343860107 354024991 /nfs/dbraw/zinc/02/49/91/354024991.db2.gz LMGCTCZQQJLNNS-VIFPVBQESA-N 1 2 243.307 -0.105 20 0 BBADLO Cn1cc[nH+]c1CNC(=O)c1nccnc1N ZINC000343875251 354030218 /nfs/dbraw/zinc/03/02/18/354030218.db2.gz JMTAODGPTPYEHB-UHFFFAOYSA-N 1 2 232.247 -0.278 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@@](C)(O)C(=O)OC ZINC000343881018 354031459 /nfs/dbraw/zinc/03/14/59/354031459.db2.gz SPBQFHIIJNHZIQ-GZMMTYOYSA-N 1 2 247.291 -0.206 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@@](C)(O)C(=O)OC ZINC000343881018 354031455 /nfs/dbraw/zinc/03/14/55/354031455.db2.gz SPBQFHIIJNHZIQ-GZMMTYOYSA-N 1 2 247.291 -0.206 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@](C)(O)C(=O)OC ZINC000343881023 354031193 /nfs/dbraw/zinc/03/11/93/354031193.db2.gz SPBQFHIIJNHZIQ-KWQFWETISA-N 1 2 247.291 -0.206 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@](C)(O)C(=O)OC ZINC000343881023 354031189 /nfs/dbraw/zinc/03/11/89/354031189.db2.gz SPBQFHIIJNHZIQ-KWQFWETISA-N 1 2 247.291 -0.206 20 0 BBADLO COC(=O)C(C)(C)[N@@H+](C)CCN1CCNC1=O ZINC000343884963 354032083 /nfs/dbraw/zinc/03/20/83/354032083.db2.gz WAIYLIKVZVVQDH-UHFFFAOYSA-N 1 2 243.307 -0.105 20 0 BBADLO COC(=O)C(C)(C)[N@H+](C)CCN1CCNC1=O ZINC000343884963 354032080 /nfs/dbraw/zinc/03/20/80/354032080.db2.gz WAIYLIKVZVVQDH-UHFFFAOYSA-N 1 2 243.307 -0.105 20 0 BBADLO Cc1nc(N(C)C)nc(N(C)CCC(N)=O)[nH+]1 ZINC000343908969 354037944 /nfs/dbraw/zinc/03/79/44/354037944.db2.gz JISZCGISAOIALH-UHFFFAOYSA-N 1 2 238.295 -0.442 20 0 BBADLO Cc1nc(N(C)CCC(N)=O)nc(N(C)C)[nH+]1 ZINC000343908969 354037940 /nfs/dbraw/zinc/03/79/40/354037940.db2.gz JISZCGISAOIALH-UHFFFAOYSA-N 1 2 238.295 -0.442 20 0 BBADLO COC(=O)C1(C(=O)NCc2c[nH]c[nH+]2)CC1 ZINC000343909666 354037836 /nfs/dbraw/zinc/03/78/36/354037836.db2.gz ROBJMYVCXGRCJI-UHFFFAOYSA-N 1 2 223.232 -0.021 20 0 BBADLO COC(=O)C1(C(=O)NCc2c[nH+]c[nH]2)CC1 ZINC000343909666 354037833 /nfs/dbraw/zinc/03/78/33/354037833.db2.gz ROBJMYVCXGRCJI-UHFFFAOYSA-N 1 2 223.232 -0.021 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@H+]1CCOCC12CC2 ZINC000343938931 354048462 /nfs/dbraw/zinc/04/84/62/354048462.db2.gz LXOUQFOSUOUFED-JTQLQIEISA-N 1 2 229.276 -0.225 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@@H+]1CCOCC12CC2 ZINC000343938931 354048459 /nfs/dbraw/zinc/04/84/59/354048459.db2.gz LXOUQFOSUOUFED-JTQLQIEISA-N 1 2 229.276 -0.225 20 0 BBADLO COC(=O)[C@](C)(O)C[N@H+]1CCOCC12CC2 ZINC000343938932 354048653 /nfs/dbraw/zinc/04/86/53/354048653.db2.gz LXOUQFOSUOUFED-SNVBAGLBSA-N 1 2 229.276 -0.225 20 0 BBADLO COC(=O)[C@](C)(O)C[N@@H+]1CCOCC12CC2 ZINC000343938932 354048652 /nfs/dbraw/zinc/04/86/52/354048652.db2.gz LXOUQFOSUOUFED-SNVBAGLBSA-N 1 2 229.276 -0.225 20 0 BBADLO COC(=O)[C@](C)(O)C[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000343940750 354049315 /nfs/dbraw/zinc/04/93/15/354049315.db2.gz NWSWTQQPRXIRBX-GZMMTYOYSA-N 1 2 244.291 -0.927 20 0 BBADLO COC(=O)[C@](C)(O)C[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000343940750 354049311 /nfs/dbraw/zinc/04/93/11/354049311.db2.gz NWSWTQQPRXIRBX-GZMMTYOYSA-N 1 2 244.291 -0.927 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000343940753 354049389 /nfs/dbraw/zinc/04/93/89/354049389.db2.gz NWSWTQQPRXIRBX-KCJUWKMLSA-N 1 2 244.291 -0.927 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000343940753 354049385 /nfs/dbraw/zinc/04/93/85/354049385.db2.gz NWSWTQQPRXIRBX-KCJUWKMLSA-N 1 2 244.291 -0.927 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000343940754 354049352 /nfs/dbraw/zinc/04/93/52/354049352.db2.gz NWSWTQQPRXIRBX-KWQFWETISA-N 1 2 244.291 -0.927 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000343940754 354049349 /nfs/dbraw/zinc/04/93/49/354049349.db2.gz NWSWTQQPRXIRBX-KWQFWETISA-N 1 2 244.291 -0.927 20 0 BBADLO COC(=O)[C@](C)(O)C[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000343940757 354049068 /nfs/dbraw/zinc/04/90/68/354049068.db2.gz NWSWTQQPRXIRBX-LDYMZIIASA-N 1 2 244.291 -0.927 20 0 BBADLO COC(=O)[C@](C)(O)C[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000343940757 354049065 /nfs/dbraw/zinc/04/90/65/354049065.db2.gz NWSWTQQPRXIRBX-LDYMZIIASA-N 1 2 244.291 -0.927 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+](C)CCN1CCNC1=O ZINC000343949768 354069627 /nfs/dbraw/zinc/06/96/27/354069627.db2.gz XIOOFSGSGIYILS-MRVPVSSYSA-N 1 2 229.280 -0.495 20 0 BBADLO COC(=O)[C@@H](C)[N@H+](C)CCN1CCNC1=O ZINC000343949768 354069626 /nfs/dbraw/zinc/06/96/26/354069626.db2.gz XIOOFSGSGIYILS-MRVPVSSYSA-N 1 2 229.280 -0.495 20 0 BBADLO COC(=O)[C@H](C)[N@@H+](C)CCN1CCNC1=O ZINC000343949770 354069622 /nfs/dbraw/zinc/06/96/22/354069622.db2.gz XIOOFSGSGIYILS-QMMMGPOBSA-N 1 2 229.280 -0.495 20 0 BBADLO COC(=O)[C@H](C)[N@H+](C)CCN1CCNC1=O ZINC000343949770 354069621 /nfs/dbraw/zinc/06/96/21/354069621.db2.gz XIOOFSGSGIYILS-QMMMGPOBSA-N 1 2 229.280 -0.495 20 0 BBADLO COC(=O)C[N@@H+](C)C[C@@](C)(O)C(=O)OC ZINC000343959854 354073594 /nfs/dbraw/zinc/07/35/94/354073594.db2.gz AMDPELHPVIFGSD-SECBINFHSA-N 1 2 219.237 -0.985 20 0 BBADLO COC(=O)C[N@H+](C)C[C@@](C)(O)C(=O)OC ZINC000343959854 354073592 /nfs/dbraw/zinc/07/35/92/354073592.db2.gz AMDPELHPVIFGSD-SECBINFHSA-N 1 2 219.237 -0.985 20 0 BBADLO COC(=O)C[N@@H+](C)C[C@](C)(O)C(=O)OC ZINC000343959857 354073547 /nfs/dbraw/zinc/07/35/47/354073547.db2.gz AMDPELHPVIFGSD-VIFPVBQESA-N 1 2 219.237 -0.985 20 0 BBADLO COC(=O)C[N@H+](C)C[C@](C)(O)C(=O)OC ZINC000343959857 354073546 /nfs/dbraw/zinc/07/35/46/354073546.db2.gz AMDPELHPVIFGSD-VIFPVBQESA-N 1 2 219.237 -0.985 20 0 BBADLO CN(CCC(N)=O)c1[nH+]cnc2c1cnn2C ZINC000343961139 354074290 /nfs/dbraw/zinc/07/42/90/354074290.db2.gz GGIMGTQSMPHWBN-UHFFFAOYSA-N 1 2 234.263 -0.325 20 0 BBADLO CCOC(=O)C(C)(C)[NH2+]CCN1CCNC1=O ZINC000343975074 354055824 /nfs/dbraw/zinc/05/58/24/354055824.db2.gz QZOADHPQCIWQIK-UHFFFAOYSA-N 1 2 243.307 -0.057 20 0 BBADLO CC(C)NC(=O)C[N@@H+](C)CCN1CCNC1=O ZINC000343979234 354057206 /nfs/dbraw/zinc/05/72/06/354057206.db2.gz MCDUIUSLLYBXKB-UHFFFAOYSA-N 1 2 242.323 -0.532 20 0 BBADLO CC(C)NC(=O)C[N@H+](C)CCN1CCNC1=O ZINC000343979234 354057205 /nfs/dbraw/zinc/05/72/05/354057205.db2.gz MCDUIUSLLYBXKB-UHFFFAOYSA-N 1 2 242.323 -0.532 20 0 BBADLO CN(CCC(N)=O)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000343988395 354061807 /nfs/dbraw/zinc/06/18/07/354061807.db2.gz WUMPOMMXBWJTEU-UHFFFAOYSA-N 1 2 249.278 -0.743 20 0 BBADLO CC[N@@H+](CC(=O)OC)C[C@](C)(O)C(=O)OC ZINC000343988868 354062276 /nfs/dbraw/zinc/06/22/76/354062276.db2.gz SBYWEXQFEGPNQA-JTQLQIEISA-N 1 2 233.264 -0.595 20 0 BBADLO CC[N@H+](CC(=O)OC)C[C@](C)(O)C(=O)OC ZINC000343988868 354062274 /nfs/dbraw/zinc/06/22/74/354062274.db2.gz SBYWEXQFEGPNQA-JTQLQIEISA-N 1 2 233.264 -0.595 20 0 BBADLO CC[N@@H+](CC(=O)OC)C[C@@](C)(O)C(=O)OC ZINC000343988870 354062268 /nfs/dbraw/zinc/06/22/68/354062268.db2.gz SBYWEXQFEGPNQA-SNVBAGLBSA-N 1 2 233.264 -0.595 20 0 BBADLO CC[N@H+](CC(=O)OC)C[C@@](C)(O)C(=O)OC ZINC000343988870 354062264 /nfs/dbraw/zinc/06/22/64/354062264.db2.gz SBYWEXQFEGPNQA-SNVBAGLBSA-N 1 2 233.264 -0.595 20 0 BBADLO COCCNC(=O)NCc1[nH+]ccn1C ZINC000344011780 354117263 /nfs/dbraw/zinc/11/72/63/354117263.db2.gz GXGYBCPBFUINGS-UHFFFAOYSA-N 1 2 212.253 -0.134 20 0 BBADLO CN(C)C(=O)CC(=O)NCCCn1cc[nH+]c1 ZINC000344012848 354118078 /nfs/dbraw/zinc/11/80/78/354118078.db2.gz IRAJKFVXMXERPQ-UHFFFAOYSA-N 1 2 238.291 -0.132 20 0 BBADLO NC(=O)CCCC(=O)NCC[NH+]1CCOCC1 ZINC000344014250 354118862 /nfs/dbraw/zinc/11/88/62/354118862.db2.gz SPGXSMIENDRKCT-UHFFFAOYSA-N 1 2 243.307 -0.910 20 0 BBADLO CCC(=O)CNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000344017464 354081354 /nfs/dbraw/zinc/08/13/54/354081354.db2.gz UIHBJSNHRHXWIH-JTQLQIEISA-N 1 2 241.335 -0.282 20 0 BBADLO CCC(=O)CNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000344017473 354081272 /nfs/dbraw/zinc/08/12/72/354081272.db2.gz UIHBJSNHRHXWIH-SNVBAGLBSA-N 1 2 241.335 -0.282 20 0 BBADLO COCCOCC[N@@H+](C)[C@H](C)c1nnnn1C ZINC000344075249 354133287 /nfs/dbraw/zinc/13/32/87/354133287.db2.gz SHVYRTVOROJLNB-SECBINFHSA-N 1 2 243.311 -0.134 20 0 BBADLO COCCOCC[N@H+](C)[C@H](C)c1nnnn1C ZINC000344075249 354133284 /nfs/dbraw/zinc/13/32/84/354133284.db2.gz SHVYRTVOROJLNB-SECBINFHSA-N 1 2 243.311 -0.134 20 0 BBADLO COCCOCC[N@@H+](C)[C@@H](C)c1nnnn1C ZINC000344075262 354133373 /nfs/dbraw/zinc/13/33/73/354133373.db2.gz SHVYRTVOROJLNB-VIFPVBQESA-N 1 2 243.311 -0.134 20 0 BBADLO COCCOCC[N@H+](C)[C@@H](C)c1nnnn1C ZINC000344075262 354133370 /nfs/dbraw/zinc/13/33/70/354133370.db2.gz SHVYRTVOROJLNB-VIFPVBQESA-N 1 2 243.311 -0.134 20 0 BBADLO C[C@@H]1[C@@H](CO)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000344105236 354160007 /nfs/dbraw/zinc/16/00/07/354160007.db2.gz SCXGUYHPKHIYKH-GMTAPVOTSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1[C@@H](CO)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000344105236 354160004 /nfs/dbraw/zinc/16/00/04/354160004.db2.gz SCXGUYHPKHIYKH-GMTAPVOTSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1[C@@H](CO)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000344105238 354159838 /nfs/dbraw/zinc/15/98/38/354159838.db2.gz SCXGUYHPKHIYKH-MXWKQRLJSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1[C@@H](CO)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000344105238 354159836 /nfs/dbraw/zinc/15/98/36/354159836.db2.gz SCXGUYHPKHIYKH-MXWKQRLJSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1[C@H](CO)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000344105239 354159509 /nfs/dbraw/zinc/15/95/09/354159509.db2.gz SCXGUYHPKHIYKH-OUAUKWLOSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1[C@H](CO)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000344105239 354159508 /nfs/dbraw/zinc/15/95/08/354159508.db2.gz SCXGUYHPKHIYKH-OUAUKWLOSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1[C@H](CO)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000344105240 354160014 /nfs/dbraw/zinc/16/00/14/354160014.db2.gz SCXGUYHPKHIYKH-VWYCJHECSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1[C@H](CO)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000344105240 354160011 /nfs/dbraw/zinc/16/00/11/354160011.db2.gz SCXGUYHPKHIYKH-VWYCJHECSA-N 1 2 242.319 -0.454 20 0 BBADLO CCC(=O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000344130180 354147792 /nfs/dbraw/zinc/14/77/92/354147792.db2.gz VRDWAQDNWKBTQI-SECBINFHSA-N 1 2 214.265 -0.588 20 0 BBADLO CCC(=O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000344130180 354147788 /nfs/dbraw/zinc/14/77/88/354147788.db2.gz VRDWAQDNWKBTQI-SECBINFHSA-N 1 2 214.265 -0.588 20 0 BBADLO CCC(=O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000344130220 354147599 /nfs/dbraw/zinc/14/75/99/354147599.db2.gz VRDWAQDNWKBTQI-VIFPVBQESA-N 1 2 214.265 -0.588 20 0 BBADLO CCC(=O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000344130220 354147594 /nfs/dbraw/zinc/14/75/94/354147594.db2.gz VRDWAQDNWKBTQI-VIFPVBQESA-N 1 2 214.265 -0.588 20 0 BBADLO CCOC(=O)CC[N@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000344150351 354155912 /nfs/dbraw/zinc/15/59/12/354155912.db2.gz KRGSZNKXDRLTGH-SECBINFHSA-N 1 2 245.275 -0.187 20 0 BBADLO CCOC(=O)CC[N@@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000344150351 354155909 /nfs/dbraw/zinc/15/59/09/354155909.db2.gz KRGSZNKXDRLTGH-SECBINFHSA-N 1 2 245.275 -0.187 20 0 BBADLO CCOC(=O)CC[N@H+]1CCO[C@H](C(=O)OC)C1 ZINC000344150352 354156209 /nfs/dbraw/zinc/15/62/09/354156209.db2.gz KRGSZNKXDRLTGH-VIFPVBQESA-N 1 2 245.275 -0.187 20 0 BBADLO CCOC(=O)CC[N@@H+]1CCO[C@H](C(=O)OC)C1 ZINC000344150352 354156206 /nfs/dbraw/zinc/15/62/06/354156206.db2.gz KRGSZNKXDRLTGH-VIFPVBQESA-N 1 2 245.275 -0.187 20 0 BBADLO CC(C)[C@H](NC(=O)CCc1[nH]cc[nH+]1)C(N)=O ZINC000344152067 354155709 /nfs/dbraw/zinc/15/57/09/354155709.db2.gz CBWCWFLPCQTAJC-JTQLQIEISA-N 1 2 238.291 -0.032 20 0 BBADLO CC(C)[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C(N)=O ZINC000344152077 354156264 /nfs/dbraw/zinc/15/62/64/354156264.db2.gz CBWCWFLPCQTAJC-SNVBAGLBSA-N 1 2 238.291 -0.032 20 0 BBADLO C[C@@H]1C[C@@H](CO)CC[N@H+]1Cc1nnnn1C ZINC000344164786 354169107 /nfs/dbraw/zinc/16/91/07/354169107.db2.gz MKRMXJXHIJSIMI-BDAKNGLRSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@@H]1C[C@@H](CO)CC[N@@H+]1Cc1nnnn1C ZINC000344164786 354169103 /nfs/dbraw/zinc/16/91/03/354169103.db2.gz MKRMXJXHIJSIMI-BDAKNGLRSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@H]1C[C@H](CO)CC[N@H+]1Cc1nnnn1C ZINC000344164788 354168935 /nfs/dbraw/zinc/16/89/35/354168935.db2.gz MKRMXJXHIJSIMI-DTWKUNHWSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@H]1C[C@H](CO)CC[N@@H+]1Cc1nnnn1C ZINC000344164788 354168933 /nfs/dbraw/zinc/16/89/33/354168933.db2.gz MKRMXJXHIJSIMI-DTWKUNHWSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1nnnn1C ZINC000344164789 354168888 /nfs/dbraw/zinc/16/88/88/354168888.db2.gz MKRMXJXHIJSIMI-IUCAKERBSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1nnnn1C ZINC000344164789 354168885 /nfs/dbraw/zinc/16/88/85/354168885.db2.gz MKRMXJXHIJSIMI-IUCAKERBSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@@H]1C[C@H](CO)CC[N@H+]1Cc1nnnn1C ZINC000344164790 354168966 /nfs/dbraw/zinc/16/89/66/354168966.db2.gz MKRMXJXHIJSIMI-RKDXNWHRSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@@H]1C[C@H](CO)CC[N@@H+]1Cc1nnnn1C ZINC000344164790 354168963 /nfs/dbraw/zinc/16/89/63/354168963.db2.gz MKRMXJXHIJSIMI-RKDXNWHRSA-N 1 2 225.296 -0.197 20 0 BBADLO CCCNC(=O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000344199666 354161422 /nfs/dbraw/zinc/16/14/22/354161422.db2.gz MSEYQASLPTWZOC-UHFFFAOYSA-N 1 2 238.291 -0.015 20 0 BBADLO O=C(NCC[NH+]1CCOCC1)[C@@H]1CC[C@@H](O)C1 ZINC000344203689 354163166 /nfs/dbraw/zinc/16/31/66/354163166.db2.gz YHDHYYLVDKPLNP-GHMZBOCLSA-N 1 2 242.319 -0.404 20 0 BBADLO O=C(NCC[NH+]1CCOCC1)[C@@H]1CC[C@H](O)C1 ZINC000344203693 135748968 /nfs/dbraw/zinc/74/89/68/135748968.db2.gz YHDHYYLVDKPLNP-MNOVXSKESA-N 1 2 242.319 -0.404 20 0 BBADLO O=C(NCC[NH+]1CCOCC1)[C@H]1CC[C@H](O)C1 ZINC000344203696 354163203 /nfs/dbraw/zinc/16/32/03/354163203.db2.gz YHDHYYLVDKPLNP-QWRGUYRKSA-N 1 2 242.319 -0.404 20 0 BBADLO O=C(NCC[NH+]1CCOCC1)[C@H]1CC[C@@H](O)C1 ZINC000344203698 354163101 /nfs/dbraw/zinc/16/31/01/354163101.db2.gz YHDHYYLVDKPLNP-WDEREUQCSA-N 1 2 242.319 -0.404 20 0 BBADLO CN1C[C@H]2[C@@H](CCC[N@H+]2Cc2cnnn2C)C1=O ZINC000344246991 354189363 /nfs/dbraw/zinc/18/93/63/354189363.db2.gz JDWJJBUIJJQKIV-MNOVXSKESA-N 1 2 249.318 -0.132 20 0 BBADLO CN1C[C@H]2[C@@H](CCC[N@@H+]2Cc2cnnn2C)C1=O ZINC000344246991 354189361 /nfs/dbraw/zinc/18/93/61/354189361.db2.gz JDWJJBUIJJQKIV-MNOVXSKESA-N 1 2 249.318 -0.132 20 0 BBADLO CN1C[C@H]2[C@H](CCC[N@H+]2Cc2cnnn2C)C1=O ZINC000344246992 354189196 /nfs/dbraw/zinc/18/91/96/354189196.db2.gz JDWJJBUIJJQKIV-QWRGUYRKSA-N 1 2 249.318 -0.132 20 0 BBADLO CN1C[C@H]2[C@H](CCC[N@@H+]2Cc2cnnn2C)C1=O ZINC000344246992 354189193 /nfs/dbraw/zinc/18/91/93/354189193.db2.gz JDWJJBUIJJQKIV-QWRGUYRKSA-N 1 2 249.318 -0.132 20 0 BBADLO CN1C[C@@H]2[C@H](CCC[N@H+]2Cc2cnnn2C)C1=O ZINC000344246993 354188768 /nfs/dbraw/zinc/18/87/68/354188768.db2.gz JDWJJBUIJJQKIV-WDEREUQCSA-N 1 2 249.318 -0.132 20 0 BBADLO CN1C[C@@H]2[C@H](CCC[N@@H+]2Cc2cnnn2C)C1=O ZINC000344246993 354188765 /nfs/dbraw/zinc/18/87/65/354188765.db2.gz JDWJJBUIJJQKIV-WDEREUQCSA-N 1 2 249.318 -0.132 20 0 BBADLO COCCCN(C)C(=O)[C@@H]1COCC[N@H+]1C ZINC000344307114 354217061 /nfs/dbraw/zinc/21/70/61/354217061.db2.gz IYEPJNGVGHTCJI-JTQLQIEISA-N 1 2 230.308 -0.188 20 0 BBADLO COCCCN(C)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000344307114 354217057 /nfs/dbraw/zinc/21/70/57/354217057.db2.gz IYEPJNGVGHTCJI-JTQLQIEISA-N 1 2 230.308 -0.188 20 0 BBADLO COCCCN(C)C(=O)[C@H]1COCC[N@H+]1C ZINC000344307116 354217205 /nfs/dbraw/zinc/21/72/05/354217205.db2.gz IYEPJNGVGHTCJI-SNVBAGLBSA-N 1 2 230.308 -0.188 20 0 BBADLO COCCCN(C)C(=O)[C@H]1COCC[N@@H+]1C ZINC000344307116 354217202 /nfs/dbraw/zinc/21/72/02/354217202.db2.gz IYEPJNGVGHTCJI-SNVBAGLBSA-N 1 2 230.308 -0.188 20 0 BBADLO CC[C@H](O)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000344353841 354240739 /nfs/dbraw/zinc/24/07/39/354240739.db2.gz PMWFCMKPXYMBEZ-JTQLQIEISA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000344353842 354240815 /nfs/dbraw/zinc/24/08/15/354240815.db2.gz PMWFCMKPXYMBEZ-SNVBAGLBSA-N 1 2 244.335 -0.016 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)CN1CCOCC1=O ZINC000344390423 354258689 /nfs/dbraw/zinc/25/86/89/354258689.db2.gz RRSKGZWXHNPUKB-UHFFFAOYSA-N 1 2 249.270 -0.391 20 0 BBADLO CN(C)c1[nH+]cccc1NC(=O)CNC(N)=O ZINC000344433054 354271687 /nfs/dbraw/zinc/27/16/87/354271687.db2.gz GYJZSAJRPKTGOA-UHFFFAOYSA-N 1 2 237.263 -0.246 20 0 BBADLO NC(=O)[C@@H]1C[C@H](F)CN1Cc1c[nH]c[nH+]1 ZINC000344490024 354286751 /nfs/dbraw/zinc/28/67/51/354286751.db2.gz DFQNPJXCQYSOKB-XPUUQOCRSA-N 1 2 212.228 -0.193 20 0 BBADLO NC(=O)[C@@H]1C[C@H](F)CN1Cc1c[nH+]c[nH]1 ZINC000344490024 354286748 /nfs/dbraw/zinc/28/67/48/354286748.db2.gz DFQNPJXCQYSOKB-XPUUQOCRSA-N 1 2 212.228 -0.193 20 0 BBADLO COCCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000344521680 354276723 /nfs/dbraw/zinc/27/67/23/354276723.db2.gz PYKSCPOGRGDEON-LLVKDONJSA-N 1 2 242.319 -0.046 20 0 BBADLO COCCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000344521680 354276721 /nfs/dbraw/zinc/27/67/21/354276721.db2.gz PYKSCPOGRGDEON-LLVKDONJSA-N 1 2 242.319 -0.046 20 0 BBADLO COCCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000344521681 354276769 /nfs/dbraw/zinc/27/67/69/354276769.db2.gz PYKSCPOGRGDEON-NSHDSACASA-N 1 2 242.319 -0.046 20 0 BBADLO COCCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000344521681 354276766 /nfs/dbraw/zinc/27/67/66/354276766.db2.gz PYKSCPOGRGDEON-NSHDSACASA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2cn(C)nn2)CC1=O ZINC000344540479 354282685 /nfs/dbraw/zinc/28/26/85/354282685.db2.gz NGAOKNTXYYNODM-FXPVBKGRSA-N 1 2 249.318 -0.086 20 0 BBADLO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2cn(C)nn2)CC1=O ZINC000344540483 354282353 /nfs/dbraw/zinc/28/23/53/354282353.db2.gz NGAOKNTXYYNODM-KKZNHRDASA-N 1 2 249.318 -0.086 20 0 BBADLO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2cn(C)nn2)CC1=O ZINC000344540485 354283411 /nfs/dbraw/zinc/28/34/11/354283411.db2.gz NGAOKNTXYYNODM-WCABBAIRSA-N 1 2 249.318 -0.086 20 0 BBADLO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2cn(C)nn2)CC1=O ZINC000344540487 135776804 /nfs/dbraw/zinc/77/68/04/135776804.db2.gz NGAOKNTXYYNODM-YWVKMMECSA-N 1 2 249.318 -0.086 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCCCCO ZINC000344605586 354325029 /nfs/dbraw/zinc/32/50/29/354325029.db2.gz BRGPADGCVVLLFN-LLVKDONJSA-N 1 2 244.335 -0.014 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCCCCO ZINC000344605586 354325028 /nfs/dbraw/zinc/32/50/28/354325028.db2.gz BRGPADGCVVLLFN-LLVKDONJSA-N 1 2 244.335 -0.014 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCCCCO ZINC000344605588 354324984 /nfs/dbraw/zinc/32/49/84/354324984.db2.gz BRGPADGCVVLLFN-NSHDSACASA-N 1 2 244.335 -0.014 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCCCCO ZINC000344605588 354324982 /nfs/dbraw/zinc/32/49/82/354324982.db2.gz BRGPADGCVVLLFN-NSHDSACASA-N 1 2 244.335 -0.014 20 0 BBADLO CN(C)C(=O)Cn1ccc(NCc2[nH]cc[nH+]2)n1 ZINC000344626128 412138893 /nfs/dbraw/zinc/13/88/93/412138893.db2.gz BNLRJXMSESUULR-UHFFFAOYSA-N 1 2 248.290 0.307 20 0 BBADLO CN(CC(N)=O)C(=O)c1ccc2[nH+]ccn2c1 ZINC000344629659 354330552 /nfs/dbraw/zinc/33/05/52/354330552.db2.gz LMFHRTALYXAULG-UHFFFAOYSA-N 1 2 232.243 -0.108 20 0 BBADLO C[C@H](C(=O)NCCCCCO)[NH+]1CCOCC1 ZINC000344644379 386751900 /nfs/dbraw/zinc/75/19/00/386751900.db2.gz OAWXXRYBHWWFFG-LLVKDONJSA-N 1 2 244.335 -0.014 20 0 BBADLO C[C@@H](C(=O)NCCCCCO)[NH+]1CCOCC1 ZINC000344644382 386752127 /nfs/dbraw/zinc/75/21/27/386752127.db2.gz OAWXXRYBHWWFFG-NSHDSACASA-N 1 2 244.335 -0.014 20 0 BBADLO O=C(CC1CC1)NCCC[N@H+]1CCNC(=O)C1 ZINC000344653096 354338510 /nfs/dbraw/zinc/33/85/10/354338510.db2.gz GVZKQHIWVZYVMF-UHFFFAOYSA-N 1 2 239.319 -0.275 20 0 BBADLO O=C(CC1CC1)NCCC[N@@H+]1CCNC(=O)C1 ZINC000344653096 354338507 /nfs/dbraw/zinc/33/85/07/354338507.db2.gz GVZKQHIWVZYVMF-UHFFFAOYSA-N 1 2 239.319 -0.275 20 0 BBADLO CSCC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000344654227 354338456 /nfs/dbraw/zinc/33/84/56/354338456.db2.gz IVBHRKVMWOJAAO-UHFFFAOYSA-N 1 2 245.348 -0.713 20 0 BBADLO CSCC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000344654227 354338455 /nfs/dbraw/zinc/33/84/55/354338455.db2.gz IVBHRKVMWOJAAO-UHFFFAOYSA-N 1 2 245.348 -0.713 20 0 BBADLO CC1(C(=O)NCCC[N@H+]2CCNC(=O)C2)CC1 ZINC000344679551 354332396 /nfs/dbraw/zinc/33/23/96/354332396.db2.gz PSGQZNWYCZOHQB-UHFFFAOYSA-N 1 2 239.319 -0.275 20 0 BBADLO CC1(C(=O)NCCC[N@@H+]2CCNC(=O)C2)CC1 ZINC000344679551 354332393 /nfs/dbraw/zinc/33/23/93/354332393.db2.gz PSGQZNWYCZOHQB-UHFFFAOYSA-N 1 2 239.319 -0.275 20 0 BBADLO CCN(C)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000344721172 135792966 /nfs/dbraw/zinc/79/29/66/135792966.db2.gz IFFVQXKQVRYNML-UHFFFAOYSA-N 1 2 242.323 -0.530 20 0 BBADLO CCN(C)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000344721172 135792965 /nfs/dbraw/zinc/79/29/65/135792965.db2.gz IFFVQXKQVRYNML-UHFFFAOYSA-N 1 2 242.323 -0.530 20 0 BBADLO C[C@@H](O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000344797613 354375094 /nfs/dbraw/zinc/37/50/94/354375094.db2.gz DBRKXJXCCGXGFU-SECBINFHSA-N 1 2 230.308 -0.406 20 0 BBADLO C[C@H](O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000344797614 354375003 /nfs/dbraw/zinc/37/50/03/354375003.db2.gz DBRKXJXCCGXGFU-VIFPVBQESA-N 1 2 230.308 -0.406 20 0 BBADLO CS(=O)(=O)CC(=O)NCC[NH+]1CCCC1 ZINC000344811882 386772623 /nfs/dbraw/zinc/77/26/23/386772623.db2.gz IIHOZTZTGNFPLJ-UHFFFAOYSA-N 1 2 234.321 -0.757 20 0 BBADLO C[C@H](CO)N(C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000344851804 135801302 /nfs/dbraw/zinc/80/13/02/135801302.db2.gz XRMKRZHYIWDTFZ-NXEZZACHSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@@H](CO)N(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000344851805 384924780 /nfs/dbraw/zinc/92/47/80/384924780.db2.gz XRMKRZHYIWDTFZ-UWVGGRQHSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@H](C(=O)N(C)[C@@H](C)CO)[NH+]1CCOCC1 ZINC000344851806 384925911 /nfs/dbraw/zinc/92/59/11/384925911.db2.gz XRMKRZHYIWDTFZ-VHSXEESVSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@H](CO)N(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000344851807 386764303 /nfs/dbraw/zinc/76/43/03/386764303.db2.gz XRMKRZHYIWDTFZ-ZJUUUORDSA-N 1 2 230.308 -0.454 20 0 BBADLO NC(=O)NCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000344887155 386792189 /nfs/dbraw/zinc/79/21/89/386792189.db2.gz QHOZIZVFPNSVOZ-UHFFFAOYSA-N 1 2 247.258 -0.381 20 0 BBADLO CNC(=O)N[C@H]1CC[N@@H+](Cc2cncnc2)C1 ZINC000344946194 538105178 /nfs/dbraw/zinc/10/51/78/538105178.db2.gz YQHFDIBBKIYILJ-JTQLQIEISA-N 1 2 235.291 -0.020 20 0 BBADLO CNC(=O)N[C@H]1CC[N@H+](Cc2cncnc2)C1 ZINC000344946194 538105176 /nfs/dbraw/zinc/10/51/76/538105176.db2.gz YQHFDIBBKIYILJ-JTQLQIEISA-N 1 2 235.291 -0.020 20 0 BBADLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2cncnc2)C1 ZINC000344946196 538105201 /nfs/dbraw/zinc/10/52/01/538105201.db2.gz YQHFDIBBKIYILJ-SNVBAGLBSA-N 1 2 235.291 -0.020 20 0 BBADLO CNC(=O)N[C@@H]1CC[N@H+](Cc2cncnc2)C1 ZINC000344946196 538105200 /nfs/dbraw/zinc/10/52/00/538105200.db2.gz YQHFDIBBKIYILJ-SNVBAGLBSA-N 1 2 235.291 -0.020 20 0 BBADLO Cc1[nH]c(C(=O)N[C@H](CO)[C@H]2CCCO2)c[nH+]1 ZINC000344959817 133710191 /nfs/dbraw/zinc/71/01/91/133710191.db2.gz XIBBAGLCJINTER-NXEZZACHSA-N 1 2 239.275 -0.012 20 0 BBADLO Cc1[nH]c(C(=O)N[C@@H](CO)[C@@H]2CCCO2)c[nH+]1 ZINC000344959818 354383228 /nfs/dbraw/zinc/38/32/28/354383228.db2.gz XIBBAGLCJINTER-UWVGGRQHSA-N 1 2 239.275 -0.012 20 0 BBADLO Cc1[nH]c(C(=O)N[C@@H](CO)[C@H]2CCCO2)c[nH+]1 ZINC000344959819 354383352 /nfs/dbraw/zinc/38/33/52/354383352.db2.gz XIBBAGLCJINTER-VHSXEESVSA-N 1 2 239.275 -0.012 20 0 BBADLO Cc1[nH]c(C(=O)N[C@H](CO)[C@@H]2CCCO2)c[nH+]1 ZINC000344959820 354383440 /nfs/dbraw/zinc/38/34/40/354383440.db2.gz XIBBAGLCJINTER-ZJUUUORDSA-N 1 2 239.275 -0.012 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)O ZINC000344987878 354388801 /nfs/dbraw/zinc/38/88/01/354388801.db2.gz HJJNEXVOSDLFBT-BDAKNGLRSA-N 1 2 216.281 -0.796 20 0 BBADLO C[C@@H](O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000344987879 354388592 /nfs/dbraw/zinc/38/85/92/354388592.db2.gz HJJNEXVOSDLFBT-DTWKUNHWSA-N 1 2 216.281 -0.796 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)O ZINC000344987881 354388296 /nfs/dbraw/zinc/38/82/96/354388296.db2.gz HJJNEXVOSDLFBT-IUCAKERBSA-N 1 2 216.281 -0.796 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)O ZINC000344987882 354388398 /nfs/dbraw/zinc/38/83/98/354388398.db2.gz HJJNEXVOSDLFBT-RKDXNWHRSA-N 1 2 216.281 -0.796 20 0 BBADLO C[C@H](C[S@@](C)=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC000345001368 365778231 /nfs/dbraw/zinc/77/82/31/365778231.db2.gz GKFHCONDMCZJNO-KEMUVXCRSA-N 1 2 232.349 -0.036 20 0 BBADLO C[C@H](C[S@@](C)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000345001368 365778227 /nfs/dbraw/zinc/77/82/27/365778227.db2.gz GKFHCONDMCZJNO-KEMUVXCRSA-N 1 2 232.349 -0.036 20 0 BBADLO C[C@H](C[S@](C)=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC000345001369 365778500 /nfs/dbraw/zinc/77/85/00/365778500.db2.gz GKFHCONDMCZJNO-XWRVAKJBSA-N 1 2 232.349 -0.036 20 0 BBADLO C[C@H](C[S@](C)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000345001369 365778494 /nfs/dbraw/zinc/77/84/94/365778494.db2.gz GKFHCONDMCZJNO-XWRVAKJBSA-N 1 2 232.349 -0.036 20 0 BBADLO CCCS(=O)(=O)CC(=O)N1CC([NH+](C)C)C1 ZINC000345235974 386075551 /nfs/dbraw/zinc/07/55/51/386075551.db2.gz IWWJIAGHAUTOJW-UHFFFAOYSA-N 1 2 248.348 -0.416 20 0 BBADLO C[C@@H](O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000345340558 136232873 /nfs/dbraw/zinc/23/28/73/136232873.db2.gz DEFFRSDDCUNVMX-GHMZBOCLSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@@H](O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000345340561 136232795 /nfs/dbraw/zinc/23/27/95/136232795.db2.gz DEFFRSDDCUNVMX-MNOVXSKESA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H](O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000345340562 136232737 /nfs/dbraw/zinc/23/27/37/136232737.db2.gz DEFFRSDDCUNVMX-QWRGUYRKSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H](O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000345340563 136232674 /nfs/dbraw/zinc/23/26/74/136232674.db2.gz DEFFRSDDCUNVMX-WDEREUQCSA-N 1 2 242.319 -0.310 20 0 BBADLO O=C(CCn1cncn1)Nc1cc[nH+]cc1O ZINC000345374743 354656187 /nfs/dbraw/zinc/65/61/87/354656187.db2.gz LFLAIUQYZLCOSJ-UHFFFAOYSA-N 1 2 233.231 -0.171 20 0 BBADLO Cn1nc(C(=O)Nc2cc[nH+]cc2O)ccc1=O ZINC000345375199 354655928 /nfs/dbraw/zinc/65/59/28/354655928.db2.gz CFJFMQQDCGCJKJ-UHFFFAOYSA-N 1 2 246.226 -0.445 20 0 BBADLO COCC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000345378852 354645511 /nfs/dbraw/zinc/64/55/11/354645511.db2.gz HDZQHIADFNYTKP-JTQLQIEISA-N 1 2 230.308 -0.188 20 0 BBADLO COCC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000345378853 354645536 /nfs/dbraw/zinc/64/55/36/354645536.db2.gz HDZQHIADFNYTKP-SNVBAGLBSA-N 1 2 230.308 -0.188 20 0 BBADLO Nc1nccnc1C(=O)Nc1cc[nH+]cc1O ZINC000345380347 354645743 /nfs/dbraw/zinc/64/57/43/354645743.db2.gz OIMYTUSTSHJBJA-UHFFFAOYSA-N 1 2 231.215 -0.166 20 0 BBADLO C[C@@H](O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000345383717 354647150 /nfs/dbraw/zinc/64/71/50/354647150.db2.gz PACUUILRQKCQJN-SECBINFHSA-N 1 2 216.281 -0.842 20 0 BBADLO C[C@H](O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000345383734 354646962 /nfs/dbraw/zinc/64/69/62/354646962.db2.gz PACUUILRQKCQJN-VIFPVBQESA-N 1 2 216.281 -0.842 20 0 BBADLO CC[N@H+]1CCO[C@@H](C(=O)N2CCC(=O)CC2)C1 ZINC000345384898 354647136 /nfs/dbraw/zinc/64/71/36/354647136.db2.gz XIRDCGIOTMTOIB-LLVKDONJSA-N 1 2 240.303 -0.101 20 0 BBADLO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(=O)CC2)C1 ZINC000345384898 354647134 /nfs/dbraw/zinc/64/71/34/354647134.db2.gz XIRDCGIOTMTOIB-LLVKDONJSA-N 1 2 240.303 -0.101 20 0 BBADLO CC[N@H+]1CCO[C@H](C(=O)N2CCC(=O)CC2)C1 ZINC000345384912 354647214 /nfs/dbraw/zinc/64/72/14/354647214.db2.gz XIRDCGIOTMTOIB-NSHDSACASA-N 1 2 240.303 -0.101 20 0 BBADLO CC[N@@H+]1CCO[C@H](C(=O)N2CCC(=O)CC2)C1 ZINC000345384912 354647209 /nfs/dbraw/zinc/64/72/09/354647209.db2.gz XIRDCGIOTMTOIB-NSHDSACASA-N 1 2 240.303 -0.101 20 0 BBADLO O=C1N[C@@H](c2c[nH]c[nH+]2)N2CCSC[C@H]12 ZINC000345399470 354649788 /nfs/dbraw/zinc/64/97/88/354649788.db2.gz VPGMMZIBIPVTOX-HTQZYQBOSA-N 1 2 224.289 -0.045 20 0 BBADLO O=C1N[C@@H](c2c[nH]c[nH+]2)N2CCSC[C@@H]12 ZINC000345399472 354649955 /nfs/dbraw/zinc/64/99/55/354649955.db2.gz VPGMMZIBIPVTOX-JGVFFNPUSA-N 1 2 224.289 -0.045 20 0 BBADLO O=C1N[C@H](c2c[nH]c[nH+]2)N2CCSC[C@H]12 ZINC000345399473 354649886 /nfs/dbraw/zinc/64/98/86/354649886.db2.gz VPGMMZIBIPVTOX-SFYZADRCSA-N 1 2 224.289 -0.045 20 0 BBADLO O=C1N[C@H](c2c[nH]c[nH+]2)N2CCSC[C@@H]12 ZINC000345399474 354650128 /nfs/dbraw/zinc/65/01/28/354650128.db2.gz VPGMMZIBIPVTOX-YUMQZZPRSA-N 1 2 224.289 -0.045 20 0 BBADLO C[C@@H](O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000345401995 354650105 /nfs/dbraw/zinc/65/01/05/354650105.db2.gz LZTKCIXOJREECE-SECBINFHSA-N 1 2 230.308 -0.406 20 0 BBADLO C[C@@H](O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000345401995 354650103 /nfs/dbraw/zinc/65/01/03/354650103.db2.gz LZTKCIXOJREECE-SECBINFHSA-N 1 2 230.308 -0.406 20 0 BBADLO C[C@H](O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000345401998 354649770 /nfs/dbraw/zinc/64/97/70/354649770.db2.gz LZTKCIXOJREECE-VIFPVBQESA-N 1 2 230.308 -0.406 20 0 BBADLO C[C@H](O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000345401998 354649767 /nfs/dbraw/zinc/64/97/67/354649767.db2.gz LZTKCIXOJREECE-VIFPVBQESA-N 1 2 230.308 -0.406 20 0 BBADLO C[C@@H](O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000345415857 354652614 /nfs/dbraw/zinc/65/26/14/354652614.db2.gz PBPJEYWJDHUCIN-SECBINFHSA-N 1 2 230.308 -0.406 20 0 BBADLO C[C@@H](O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000345415857 354652612 /nfs/dbraw/zinc/65/26/12/354652612.db2.gz PBPJEYWJDHUCIN-SECBINFHSA-N 1 2 230.308 -0.406 20 0 BBADLO C[C@H](O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000345415858 354652657 /nfs/dbraw/zinc/65/26/57/354652657.db2.gz PBPJEYWJDHUCIN-VIFPVBQESA-N 1 2 230.308 -0.406 20 0 BBADLO C[C@H](O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000345415858 354652654 /nfs/dbraw/zinc/65/26/54/354652654.db2.gz PBPJEYWJDHUCIN-VIFPVBQESA-N 1 2 230.308 -0.406 20 0 BBADLO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C1CC(=O)C1 ZINC000345444083 354670822 /nfs/dbraw/zinc/67/08/22/354670822.db2.gz LDUITWDPRWJDCP-JTQLQIEISA-N 1 2 239.319 -0.673 20 0 BBADLO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C1CC(=O)C1 ZINC000345444083 354670819 /nfs/dbraw/zinc/67/08/19/354670819.db2.gz LDUITWDPRWJDCP-JTQLQIEISA-N 1 2 239.319 -0.673 20 0 BBADLO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C1CC(=O)C1 ZINC000345444091 354670546 /nfs/dbraw/zinc/67/05/46/354670546.db2.gz LDUITWDPRWJDCP-SNVBAGLBSA-N 1 2 239.319 -0.673 20 0 BBADLO CN1CC[N@H+](C)C[C@H]1CNC(=O)C1CC(=O)C1 ZINC000345444091 354670543 /nfs/dbraw/zinc/67/05/43/354670543.db2.gz LDUITWDPRWJDCP-SNVBAGLBSA-N 1 2 239.319 -0.673 20 0 BBADLO C[C@@H](O)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000345445795 354670754 /nfs/dbraw/zinc/67/07/54/354670754.db2.gz DIVNNTGLBUCLMX-NXEZZACHSA-N 1 2 229.324 -0.881 20 0 BBADLO C[C@H](O)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000345445796 354670812 /nfs/dbraw/zinc/67/08/12/354670812.db2.gz DIVNNTGLBUCLMX-UWVGGRQHSA-N 1 2 229.324 -0.881 20 0 BBADLO C[C@@H](O)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000345445807 354670685 /nfs/dbraw/zinc/67/06/85/354670685.db2.gz DIVNNTGLBUCLMX-VHSXEESVSA-N 1 2 229.324 -0.881 20 0 BBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H](C)O ZINC000345445810 354670664 /nfs/dbraw/zinc/67/06/64/354670664.db2.gz DIVNNTGLBUCLMX-ZJUUUORDSA-N 1 2 229.324 -0.881 20 0 BBADLO CC(C)[C@@H](C(=O)Nc1nn[nH]n1)[NH+](C)C ZINC000345534337 354675405 /nfs/dbraw/zinc/67/54/05/354675405.db2.gz HLELCQVJUQHXGR-LURJTMIESA-N 1 2 212.257 -0.276 20 0 BBADLO CSCC[C@@H](O)C(=O)N1CC[NH+](C)CC1 ZINC000345572722 354698773 /nfs/dbraw/zinc/69/87/73/354698773.db2.gz WVGDVUDKBWKBQR-SECBINFHSA-N 1 2 232.349 -0.126 20 0 BBADLO CSCC[C@H](O)C(=O)N1CC[NH+](C)CC1 ZINC000345572725 354698626 /nfs/dbraw/zinc/69/86/26/354698626.db2.gz WVGDVUDKBWKBQR-VIFPVBQESA-N 1 2 232.349 -0.126 20 0 BBADLO CCC(=O)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000345584778 354706258 /nfs/dbraw/zinc/70/62/58/354706258.db2.gz HIHRDVHEXQABLL-JTQLQIEISA-N 1 2 228.292 -0.198 20 0 BBADLO CCC(=O)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000345584778 354706256 /nfs/dbraw/zinc/70/62/56/354706256.db2.gz HIHRDVHEXQABLL-JTQLQIEISA-N 1 2 228.292 -0.198 20 0 BBADLO CCC(=O)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000345584779 354706397 /nfs/dbraw/zinc/70/63/97/354706397.db2.gz HIHRDVHEXQABLL-SNVBAGLBSA-N 1 2 228.292 -0.198 20 0 BBADLO CCC(=O)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000345584779 354706393 /nfs/dbraw/zinc/70/63/93/354706393.db2.gz HIHRDVHEXQABLL-SNVBAGLBSA-N 1 2 228.292 -0.198 20 0 BBADLO C[C@H]([C@H](C)NC(=O)[C@H](C)O)[NH+]1CCOCC1 ZINC000345605152 354728640 /nfs/dbraw/zinc/72/86/40/354728640.db2.gz QSTIGUBOKHSSDM-AEJSXWLSSA-N 1 2 230.308 -0.407 20 0 BBADLO C[C@@H](NC(=O)[C@H](C)O)[C@@H](C)[NH+]1CCOCC1 ZINC000345605155 354728177 /nfs/dbraw/zinc/72/81/77/354728177.db2.gz QSTIGUBOKHSSDM-BBBLOLIVSA-N 1 2 230.308 -0.407 20 0 BBADLO C[C@H](O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000345605158 354728653 /nfs/dbraw/zinc/72/86/53/354728653.db2.gz QSTIGUBOKHSSDM-GUBZILKMSA-N 1 2 230.308 -0.407 20 0 BBADLO C[C@@H](NC(=O)[C@H](C)O)[C@H](C)[NH+]1CCOCC1 ZINC000345605160 354728359 /nfs/dbraw/zinc/72/83/59/354728359.db2.gz QSTIGUBOKHSSDM-UTLUCORTSA-N 1 2 230.308 -0.407 20 0 BBADLO COCCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000345610936 354729797 /nfs/dbraw/zinc/72/97/97/354729797.db2.gz LQCXHRLXFBMCHJ-UHFFFAOYSA-N 1 2 230.308 -0.140 20 0 BBADLO C[C@H](O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000345612934 354714787 /nfs/dbraw/zinc/71/47/87/354714787.db2.gz USCZYQDTDAHSAM-BDAKNGLRSA-N 1 2 216.281 -0.796 20 0 BBADLO C[C@H](O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000345612934 354714783 /nfs/dbraw/zinc/71/47/83/354714783.db2.gz USCZYQDTDAHSAM-BDAKNGLRSA-N 1 2 216.281 -0.796 20 0 BBADLO C[C@@H](O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000345612935 354714375 /nfs/dbraw/zinc/71/43/75/354714375.db2.gz USCZYQDTDAHSAM-DTWKUNHWSA-N 1 2 216.281 -0.796 20 0 BBADLO C[C@@H](O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000345612935 354714372 /nfs/dbraw/zinc/71/43/72/354714372.db2.gz USCZYQDTDAHSAM-DTWKUNHWSA-N 1 2 216.281 -0.796 20 0 BBADLO C[C@H](O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000345612936 354714530 /nfs/dbraw/zinc/71/45/30/354714530.db2.gz USCZYQDTDAHSAM-IUCAKERBSA-N 1 2 216.281 -0.796 20 0 BBADLO C[C@H](O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000345612936 354714526 /nfs/dbraw/zinc/71/45/26/354714526.db2.gz USCZYQDTDAHSAM-IUCAKERBSA-N 1 2 216.281 -0.796 20 0 BBADLO C[C@@H](O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000345612937 354715035 /nfs/dbraw/zinc/71/50/35/354715035.db2.gz USCZYQDTDAHSAM-RKDXNWHRSA-N 1 2 216.281 -0.796 20 0 BBADLO C[C@@H](O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000345612937 354715034 /nfs/dbraw/zinc/71/50/34/354715034.db2.gz USCZYQDTDAHSAM-RKDXNWHRSA-N 1 2 216.281 -0.796 20 0 BBADLO Cc1[nH+]c[nH]c1CC(=O)N(CC(N)=O)C(C)C ZINC000345617807 133781396 /nfs/dbraw/zinc/78/13/96/133781396.db2.gz ZXKZJOPSWUECBZ-UHFFFAOYSA-N 1 2 238.291 -0.017 20 0 BBADLO CC(C)(C(=O)N1CCOCC1)[NH+]1CCOCC1 ZINC000345631407 354718661 /nfs/dbraw/zinc/71/86/61/354718661.db2.gz CSGPRCMYAZMHKK-UHFFFAOYSA-N 1 2 242.319 -0.044 20 0 BBADLO CC[NH+]1CCN(C(=O)C[S@@](=O)CC)CC1 ZINC000345632668 354719257 /nfs/dbraw/zinc/71/92/57/354719257.db2.gz RAXHAZCFCKWRBZ-HNNXBMFYSA-N 1 2 232.349 -0.081 20 0 BBADLO CC[NH+]1CCN(C(=O)C[S@](=O)CC)CC1 ZINC000345632669 354719415 /nfs/dbraw/zinc/71/94/15/354719415.db2.gz RAXHAZCFCKWRBZ-OAHLLOKOSA-N 1 2 232.349 -0.081 20 0 BBADLO C[N@H+]1CCO[C@@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC000345709869 354755850 /nfs/dbraw/zinc/75/58/50/354755850.db2.gz XEYSLAJGSULZOW-JTQLQIEISA-N 1 2 238.291 -0.601 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC000345709869 354755846 /nfs/dbraw/zinc/75/58/46/354755846.db2.gz XEYSLAJGSULZOW-JTQLQIEISA-N 1 2 238.291 -0.601 20 0 BBADLO C[N@H+]1CCO[C@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC000345709870 354755794 /nfs/dbraw/zinc/75/57/94/354755794.db2.gz XEYSLAJGSULZOW-SNVBAGLBSA-N 1 2 238.291 -0.601 20 0 BBADLO C[N@@H+]1CCO[C@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC000345709870 354755792 /nfs/dbraw/zinc/75/57/92/354755792.db2.gz XEYSLAJGSULZOW-SNVBAGLBSA-N 1 2 238.291 -0.601 20 0 BBADLO COCC[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000345818569 487471487 /nfs/dbraw/zinc/47/14/87/487471487.db2.gz GERFMFMMBLEUGN-SECBINFHSA-N 1 2 236.337 -0.402 20 0 BBADLO COCC[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000345818569 487471483 /nfs/dbraw/zinc/47/14/83/487471483.db2.gz GERFMFMMBLEUGN-SECBINFHSA-N 1 2 236.337 -0.402 20 0 BBADLO C[NH+](C)CC(=O)NC[C@H]1CCCCS1(=O)=O ZINC000345984171 354832816 /nfs/dbraw/zinc/83/28/16/354832816.db2.gz ZVFMZPOBJCGQKR-SECBINFHSA-N 1 2 248.348 -0.369 20 0 BBADLO C[NH+](C)CC(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000345984172 354832454 /nfs/dbraw/zinc/83/24/54/354832454.db2.gz ZVFMZPOBJCGQKR-VIFPVBQESA-N 1 2 248.348 -0.369 20 0 BBADLO C[N@H+]1CCC[C@H]1C(=O)N1CCc2[nH]nnc2C1 ZINC000346035867 354840823 /nfs/dbraw/zinc/84/08/23/354840823.db2.gz LSRMZOUWGYZRHG-JTQLQIEISA-N 1 2 235.291 -0.216 20 0 BBADLO C[N@@H+]1CCC[C@H]1C(=O)N1CCc2[nH]nnc2C1 ZINC000346035867 354840819 /nfs/dbraw/zinc/84/08/19/354840819.db2.gz LSRMZOUWGYZRHG-JTQLQIEISA-N 1 2 235.291 -0.216 20 0 BBADLO C[N@H+]1CCC[C@@H]1C(=O)N1CCc2[nH]nnc2C1 ZINC000346035869 354840634 /nfs/dbraw/zinc/84/06/34/354840634.db2.gz LSRMZOUWGYZRHG-SNVBAGLBSA-N 1 2 235.291 -0.216 20 0 BBADLO C[N@@H+]1CCC[C@@H]1C(=O)N1CCc2[nH]nnc2C1 ZINC000346035869 354840629 /nfs/dbraw/zinc/84/06/29/354840629.db2.gz LSRMZOUWGYZRHG-SNVBAGLBSA-N 1 2 235.291 -0.216 20 0 BBADLO NC(=O)[C@@H]1C[C@H](F)C[N@H+]1CCCCO ZINC000346074975 354857781 /nfs/dbraw/zinc/85/77/81/354857781.db2.gz RNBFZLDARMGRCH-YUMQZZPRSA-N 1 2 204.245 -0.343 20 0 BBADLO NC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CCCCO ZINC000346074975 354857777 /nfs/dbraw/zinc/85/77/77/354857777.db2.gz RNBFZLDARMGRCH-YUMQZZPRSA-N 1 2 204.245 -0.343 20 0 BBADLO CCOC(=O)CC[N@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC000346075733 354858260 /nfs/dbraw/zinc/85/82/60/354858260.db2.gz NGBKXSZIZMWOML-YUMQZZPRSA-N 1 2 232.255 -0.163 20 0 BBADLO CCOC(=O)CC[N@@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC000346075733 354858256 /nfs/dbraw/zinc/85/82/56/354858256.db2.gz NGBKXSZIZMWOML-YUMQZZPRSA-N 1 2 232.255 -0.163 20 0 BBADLO [NH3+][C@@H]1CCCN(Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000346080561 354861118 /nfs/dbraw/zinc/86/11/18/354861118.db2.gz DHMJSMXBSVEQGA-SECBINFHSA-N 1 2 247.302 -0.054 20 0 BBADLO [NH3+][C@H]1CCCN(Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000346080566 354860886 /nfs/dbraw/zinc/86/08/86/354860886.db2.gz DHMJSMXBSVEQGA-VIFPVBQESA-N 1 2 247.302 -0.054 20 0 BBADLO NC(=O)CC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346088283 181217461 /nfs/dbraw/zinc/21/74/61/181217461.db2.gz WAHATWMCHQEWCX-JTQLQIEISA-N 1 2 249.270 -0.063 20 0 BBADLO NC(=O)CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346088288 181218091 /nfs/dbraw/zinc/21/80/91/181218091.db2.gz WAHATWMCHQEWCX-SNVBAGLBSA-N 1 2 249.270 -0.063 20 0 BBADLO CC1(C[N@H+]2C[C@@H](F)C[C@H]2C(N)=O)COC1 ZINC000346106408 168026128 /nfs/dbraw/zinc/02/61/28/168026128.db2.gz JNDRLAZAMQQAID-YUMQZZPRSA-N 1 2 216.256 -0.079 20 0 BBADLO CC1(C[N@@H+]2C[C@@H](F)C[C@H]2C(N)=O)COC1 ZINC000346106408 168026123 /nfs/dbraw/zinc/02/61/23/168026123.db2.gz JNDRLAZAMQQAID-YUMQZZPRSA-N 1 2 216.256 -0.079 20 0 BBADLO Cn1nc(NCCCn2cc[nH+]c2)ccc1=O ZINC000346116734 412180884 /nfs/dbraw/zinc/18/08/84/412180884.db2.gz FCEVXULXOBWOML-UHFFFAOYSA-N 1 2 233.275 0.479 20 0 BBADLO COC(=O)CCNC(=O)Cc1[nH+]c[nH]c1C ZINC000346145671 386169201 /nfs/dbraw/zinc/16/92/01/386169201.db2.gz HXQWOCOIZVVFAT-UHFFFAOYSA-N 1 2 225.248 -0.060 20 0 BBADLO COC(=O)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC000346145671 386169197 /nfs/dbraw/zinc/16/91/97/386169197.db2.gz HXQWOCOIZVVFAT-UHFFFAOYSA-N 1 2 225.248 -0.060 20 0 BBADLO O=C([C@@H]1CC[C@@H](O)C1)N1CC[NH+](CCO)CC1 ZINC000346153206 386167739 /nfs/dbraw/zinc/16/77/39/386167739.db2.gz QOIORXZSVZRRSY-GHMZBOCLSA-N 1 2 242.319 -0.716 20 0 BBADLO O=C([C@@H]1CC[C@H](O)C1)N1CC[NH+](CCO)CC1 ZINC000346153210 386167642 /nfs/dbraw/zinc/16/76/42/386167642.db2.gz QOIORXZSVZRRSY-MNOVXSKESA-N 1 2 242.319 -0.716 20 0 BBADLO O=C([C@H]1CC[C@H](O)C1)N1CC[NH+](CCO)CC1 ZINC000346153211 386169070 /nfs/dbraw/zinc/16/90/70/386169070.db2.gz QOIORXZSVZRRSY-QWRGUYRKSA-N 1 2 242.319 -0.716 20 0 BBADLO O=C([C@H]1CC[C@@H](O)C1)N1CC[NH+](CCO)CC1 ZINC000346153212 386167555 /nfs/dbraw/zinc/16/75/55/386167555.db2.gz QOIORXZSVZRRSY-WDEREUQCSA-N 1 2 242.319 -0.716 20 0 BBADLO COC(=O)[C@@H](C)NC(=O)Cc1[nH+]c[nH]c1C ZINC000346157023 386171624 /nfs/dbraw/zinc/17/16/24/386171624.db2.gz TWJBBCANGHQYDQ-SSDOTTSWSA-N 1 2 225.248 -0.062 20 0 BBADLO COC(=O)[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC000346157023 386171620 /nfs/dbraw/zinc/17/16/20/386171620.db2.gz TWJBBCANGHQYDQ-SSDOTTSWSA-N 1 2 225.248 -0.062 20 0 BBADLO COC(=O)[C@H](C)NC(=O)Cc1[nH+]c[nH]c1C ZINC000346157025 386170367 /nfs/dbraw/zinc/17/03/67/386170367.db2.gz TWJBBCANGHQYDQ-ZETCQYMHSA-N 1 2 225.248 -0.062 20 0 BBADLO COC(=O)[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC000346157025 386170359 /nfs/dbraw/zinc/17/03/59/386170359.db2.gz TWJBBCANGHQYDQ-ZETCQYMHSA-N 1 2 225.248 -0.062 20 0 BBADLO O=C(C[N@H+]1CCO[C@]2(CCOC2)C1)N1CCC1 ZINC000346185955 386182091 /nfs/dbraw/zinc/18/20/91/386182091.db2.gz PUGDGJQVVVIBGF-GFCCVEGCSA-N 1 2 240.303 -0.290 20 0 BBADLO O=C(C[N@@H+]1CCO[C@]2(CCOC2)C1)N1CCC1 ZINC000346185955 386182085 /nfs/dbraw/zinc/18/20/85/386182085.db2.gz PUGDGJQVVVIBGF-GFCCVEGCSA-N 1 2 240.303 -0.290 20 0 BBADLO O=C(C[N@H+]1CCO[C@@]2(CCOC2)C1)N1CCC1 ZINC000346185957 386181368 /nfs/dbraw/zinc/18/13/68/386181368.db2.gz PUGDGJQVVVIBGF-LBPRGKRZSA-N 1 2 240.303 -0.290 20 0 BBADLO O=C(C[N@@H+]1CCO[C@@]2(CCOC2)C1)N1CCC1 ZINC000346185957 386181365 /nfs/dbraw/zinc/18/13/65/386181365.db2.gz PUGDGJQVVVIBGF-LBPRGKRZSA-N 1 2 240.303 -0.290 20 0 BBADLO Cn1cc(-c2cc(C[N@@H+](C)CC(N)=O)on2)cn1 ZINC000346190936 386180957 /nfs/dbraw/zinc/18/09/57/386180957.db2.gz LNKAREUOKZFJEA-UHFFFAOYSA-N 1 2 249.274 -0.008 20 0 BBADLO Cn1cc(-c2cc(C[N@H+](C)CC(N)=O)on2)cn1 ZINC000346190936 386180948 /nfs/dbraw/zinc/18/09/48/386180948.db2.gz LNKAREUOKZFJEA-UHFFFAOYSA-N 1 2 249.274 -0.008 20 0 BBADLO COC(=O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC000346194898 386184807 /nfs/dbraw/zinc/18/48/07/386184807.db2.gz ODXBSZJGWPCECI-UHFFFAOYSA-N 1 2 225.248 -0.108 20 0 BBADLO COC(=O)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000346205410 386183609 /nfs/dbraw/zinc/18/36/09/386183609.db2.gz VQJDQHFRMJXPDC-UHFFFAOYSA-N 1 2 225.248 -0.024 20 0 BBADLO C[C@H]1CCC[N@H+]1CC(=O)Nc1nn[nH]n1 ZINC000346210164 177109785 /nfs/dbraw/zinc/10/97/85/177109785.db2.gz HFEVQTZQKQUHAT-LURJTMIESA-N 1 2 210.241 -0.378 20 0 BBADLO C[C@H]1CCC[N@@H+]1CC(=O)Nc1nn[nH]n1 ZINC000346210164 177109784 /nfs/dbraw/zinc/10/97/84/177109784.db2.gz HFEVQTZQKQUHAT-LURJTMIESA-N 1 2 210.241 -0.378 20 0 BBADLO C[C@@H]1CCC[N@H+]1CC(=O)Nc1nn[nH]n1 ZINC000346210165 176108556 /nfs/dbraw/zinc/10/85/56/176108556.db2.gz HFEVQTZQKQUHAT-ZCFIWIBFSA-N 1 2 210.241 -0.378 20 0 BBADLO C[C@@H]1CCC[N@@H+]1CC(=O)Nc1nn[nH]n1 ZINC000346210165 176108555 /nfs/dbraw/zinc/10/85/55/176108555.db2.gz HFEVQTZQKQUHAT-ZCFIWIBFSA-N 1 2 210.241 -0.378 20 0 BBADLO CCOC(=O)CNC(=O)Cc1[nH+]c[nH]c1C ZINC000346215074 170222915 /nfs/dbraw/zinc/22/29/15/170222915.db2.gz FCJNMHDQUKNSFU-UHFFFAOYSA-N 1 2 225.248 -0.060 20 0 BBADLO CCOC(=O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC000346215074 170222914 /nfs/dbraw/zinc/22/29/14/170222914.db2.gz FCJNMHDQUKNSFU-UHFFFAOYSA-N 1 2 225.248 -0.060 20 0 BBADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)CCS(C)(=O)=O ZINC000346259144 354883477 /nfs/dbraw/zinc/88/34/77/354883477.db2.gz IWWMASHISHUUPM-SECBINFHSA-N 1 2 248.348 -0.416 20 0 BBADLO C[C@@H]1C[N@H+](C)CCN1C(=O)CCS(C)(=O)=O ZINC000346259144 354883473 /nfs/dbraw/zinc/88/34/73/354883473.db2.gz IWWMASHISHUUPM-SECBINFHSA-N 1 2 248.348 -0.416 20 0 BBADLO C[C@H]1C[N@@H+](C)CCN1C(=O)CCS(C)(=O)=O ZINC000346259145 354883594 /nfs/dbraw/zinc/88/35/94/354883594.db2.gz IWWMASHISHUUPM-VIFPVBQESA-N 1 2 248.348 -0.416 20 0 BBADLO C[C@H]1C[N@H+](C)CCN1C(=O)CCS(C)(=O)=O ZINC000346259145 354883590 /nfs/dbraw/zinc/88/35/90/354883590.db2.gz IWWMASHISHUUPM-VIFPVBQESA-N 1 2 248.348 -0.416 20 0 BBADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C(N)=O)C(C)C ZINC000346301139 354890505 /nfs/dbraw/zinc/89/05/05/354890505.db2.gz JXKHWACUNZBWPO-SNVBAGLBSA-N 1 2 238.291 -0.113 20 0 BBADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C(N)=O)C(C)C ZINC000346301139 354890503 /nfs/dbraw/zinc/89/05/03/354890503.db2.gz JXKHWACUNZBWPO-SNVBAGLBSA-N 1 2 238.291 -0.113 20 0 BBADLO CC(C)(O)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000346390143 354907580 /nfs/dbraw/zinc/90/75/80/354907580.db2.gz SRSOFOIVXKZNJK-UHFFFAOYSA-N 1 2 244.335 -0.016 20 0 BBADLO CO[C@@H]1CC[N@H+]([C@H](C)c2nnnn2C)C1 ZINC000346403549 354911074 /nfs/dbraw/zinc/91/10/74/354911074.db2.gz BIZGIKGVHQGAPI-HTQZYQBOSA-N 1 2 211.269 -0.008 20 0 BBADLO CO[C@@H]1CC[N@@H+]([C@H](C)c2nnnn2C)C1 ZINC000346403549 354911073 /nfs/dbraw/zinc/91/10/73/354911073.db2.gz BIZGIKGVHQGAPI-HTQZYQBOSA-N 1 2 211.269 -0.008 20 0 BBADLO CO[C@@H]1CC[N@H+]([C@@H](C)c2nnnn2C)C1 ZINC000346403551 354911547 /nfs/dbraw/zinc/91/15/47/354911547.db2.gz BIZGIKGVHQGAPI-JGVFFNPUSA-N 1 2 211.269 -0.008 20 0 BBADLO CO[C@@H]1CC[N@@H+]([C@@H](C)c2nnnn2C)C1 ZINC000346403551 354911542 /nfs/dbraw/zinc/91/15/42/354911542.db2.gz BIZGIKGVHQGAPI-JGVFFNPUSA-N 1 2 211.269 -0.008 20 0 BBADLO CC(=O)N1CC(NC(=O)Cc2[nH+]c[nH]c2C)C1 ZINC000346439734 354937356 /nfs/dbraw/zinc/93/73/56/354937356.db2.gz SFTSNRKMHUMTFM-UHFFFAOYSA-N 1 2 236.275 -0.392 20 0 BBADLO CC(=O)N1CC(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000346439734 354937352 /nfs/dbraw/zinc/93/73/52/354937352.db2.gz SFTSNRKMHUMTFM-UHFFFAOYSA-N 1 2 236.275 -0.392 20 0 BBADLO COCC1(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000346441849 135930752 /nfs/dbraw/zinc/93/07/52/135930752.db2.gz UEHJGKQVHJAWFR-UHFFFAOYSA-N 1 2 248.348 -0.257 20 0 BBADLO O=C(C[N@H+]1CCN2C(=O)CC[C@H]2C1)N1CCC1 ZINC000346444104 354940836 /nfs/dbraw/zinc/94/08/36/354940836.db2.gz BGQLUMSFYYDZFY-JTQLQIEISA-N 1 2 237.303 -0.475 20 0 BBADLO O=C(C[N@@H+]1CCN2C(=O)CC[C@H]2C1)N1CCC1 ZINC000346444104 354940832 /nfs/dbraw/zinc/94/08/32/354940832.db2.gz BGQLUMSFYYDZFY-JTQLQIEISA-N 1 2 237.303 -0.475 20 0 BBADLO O=C(C[N@H+]1CCN2C(=O)CC[C@@H]2C1)N1CCC1 ZINC000346444108 354940379 /nfs/dbraw/zinc/94/03/79/354940379.db2.gz BGQLUMSFYYDZFY-SNVBAGLBSA-N 1 2 237.303 -0.475 20 0 BBADLO O=C(C[N@@H+]1CCN2C(=O)CC[C@@H]2C1)N1CCC1 ZINC000346444108 354940377 /nfs/dbraw/zinc/94/03/77/354940377.db2.gz BGQLUMSFYYDZFY-SNVBAGLBSA-N 1 2 237.303 -0.475 20 0 BBADLO CCOC(=O)CC[NH+]1CCN(C(=O)NC)CC1 ZINC000346447137 354943548 /nfs/dbraw/zinc/94/35/48/354943548.db2.gz AAFLDXVFCHMOHW-UHFFFAOYSA-N 1 2 243.307 -0.103 20 0 BBADLO CCCNC(=O)C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346455285 354947333 /nfs/dbraw/zinc/94/73/33/354947333.db2.gz NKNMUIMGPIGTAZ-JTQLQIEISA-N 1 2 239.319 -0.181 20 0 BBADLO CCCNC(=O)C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346455285 354947329 /nfs/dbraw/zinc/94/73/29/354947329.db2.gz NKNMUIMGPIGTAZ-JTQLQIEISA-N 1 2 239.319 -0.181 20 0 BBADLO CCCNC(=O)C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346455289 354947690 /nfs/dbraw/zinc/94/76/90/354947690.db2.gz NKNMUIMGPIGTAZ-SNVBAGLBSA-N 1 2 239.319 -0.181 20 0 BBADLO CCCNC(=O)C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346455289 354947687 /nfs/dbraw/zinc/94/76/87/354947687.db2.gz NKNMUIMGPIGTAZ-SNVBAGLBSA-N 1 2 239.319 -0.181 20 0 BBADLO CNC(=O)C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346462638 354952984 /nfs/dbraw/zinc/95/29/84/354952984.db2.gz SUKTXLGJDPIQDV-MRVPVSSYSA-N 1 2 211.265 -0.961 20 0 BBADLO CNC(=O)C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346462638 354952980 /nfs/dbraw/zinc/95/29/80/354952980.db2.gz SUKTXLGJDPIQDV-MRVPVSSYSA-N 1 2 211.265 -0.961 20 0 BBADLO CNC(=O)C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346462640 354952722 /nfs/dbraw/zinc/95/27/22/354952722.db2.gz SUKTXLGJDPIQDV-QMMMGPOBSA-N 1 2 211.265 -0.961 20 0 BBADLO CNC(=O)C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346462640 354952719 /nfs/dbraw/zinc/95/27/19/354952719.db2.gz SUKTXLGJDPIQDV-QMMMGPOBSA-N 1 2 211.265 -0.961 20 0 BBADLO CCOCC[N@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000346477400 357067987 /nfs/dbraw/zinc/06/79/87/357067987.db2.gz KESPTQYNDFBEBD-BDAKNGLRSA-N 1 2 216.281 -0.403 20 0 BBADLO CCOCC[N@@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000346477400 357067985 /nfs/dbraw/zinc/06/79/85/357067985.db2.gz KESPTQYNDFBEBD-BDAKNGLRSA-N 1 2 216.281 -0.403 20 0 BBADLO CCOCC[N@H+]1CCO[C@@H](C)[C@@H]1C(N)=O ZINC000346477407 354957077 /nfs/dbraw/zinc/95/70/77/354957077.db2.gz KESPTQYNDFBEBD-DTWKUNHWSA-N 1 2 216.281 -0.403 20 0 BBADLO CCOCC[N@@H+]1CCO[C@@H](C)[C@@H]1C(N)=O ZINC000346477407 354957073 /nfs/dbraw/zinc/95/70/73/354957073.db2.gz KESPTQYNDFBEBD-DTWKUNHWSA-N 1 2 216.281 -0.403 20 0 BBADLO CCOCC[N@H+]1CCO[C@@H](C)[C@H]1C(N)=O ZINC000346477413 354956877 /nfs/dbraw/zinc/95/68/77/354956877.db2.gz KESPTQYNDFBEBD-IUCAKERBSA-N 1 2 216.281 -0.403 20 0 BBADLO CCOCC[N@@H+]1CCO[C@@H](C)[C@H]1C(N)=O ZINC000346477413 354956875 /nfs/dbraw/zinc/95/68/75/354956875.db2.gz KESPTQYNDFBEBD-IUCAKERBSA-N 1 2 216.281 -0.403 20 0 BBADLO CCOCC[N@H+]1CCO[C@H](C)[C@@H]1C(N)=O ZINC000346477419 354957131 /nfs/dbraw/zinc/95/71/31/354957131.db2.gz KESPTQYNDFBEBD-RKDXNWHRSA-N 1 2 216.281 -0.403 20 0 BBADLO CCOCC[N@@H+]1CCO[C@H](C)[C@@H]1C(N)=O ZINC000346477419 354957127 /nfs/dbraw/zinc/95/71/27/354957127.db2.gz KESPTQYNDFBEBD-RKDXNWHRSA-N 1 2 216.281 -0.403 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000346567112 354971048 /nfs/dbraw/zinc/97/10/48/354971048.db2.gz NJNNCXUFAHLNPR-BWZBUEFSSA-N 1 2 211.269 -0.416 20 0 BBADLO C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000346567112 354971047 /nfs/dbraw/zinc/97/10/47/354971047.db2.gz NJNNCXUFAHLNPR-BWZBUEFSSA-N 1 2 211.269 -0.416 20 0 BBADLO C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000346567113 354970965 /nfs/dbraw/zinc/97/09/65/354970965.db2.gz NJNNCXUFAHLNPR-CSMHCCOUSA-N 1 2 211.269 -0.416 20 0 BBADLO C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000346567113 354970961 /nfs/dbraw/zinc/97/09/61/354970961.db2.gz NJNNCXUFAHLNPR-CSMHCCOUSA-N 1 2 211.269 -0.416 20 0 BBADLO C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000346567114 354971384 /nfs/dbraw/zinc/97/13/84/354971384.db2.gz NJNNCXUFAHLNPR-GJMOJQLCSA-N 1 2 211.269 -0.416 20 0 BBADLO C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000346567114 354971381 /nfs/dbraw/zinc/97/13/81/354971381.db2.gz NJNNCXUFAHLNPR-GJMOJQLCSA-N 1 2 211.269 -0.416 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000346567115 354971477 /nfs/dbraw/zinc/97/14/77/354971477.db2.gz NJNNCXUFAHLNPR-PRJMDXOYSA-N 1 2 211.269 -0.416 20 0 BBADLO C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000346567115 354971471 /nfs/dbraw/zinc/97/14/71/354971471.db2.gz NJNNCXUFAHLNPR-PRJMDXOYSA-N 1 2 211.269 -0.416 20 0 BBADLO COc1ccc(NC(=O)NCc2[nH]cc[nH+]2)nn1 ZINC000346629665 411723617 /nfs/dbraw/zinc/72/36/17/411723617.db2.gz DTUWZYASICIPKY-UHFFFAOYSA-N 1 2 248.246 0.530 20 0 BBADLO COC(=O)[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@H]1C ZINC000346646853 355017997 /nfs/dbraw/zinc/01/79/97/355017997.db2.gz NDMZUCANNGOKLM-BQBZGAKWSA-N 1 2 240.263 -0.106 20 0 BBADLO COC(=O)[C@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)[C@H]1C ZINC000346646853 355017994 /nfs/dbraw/zinc/01/79/94/355017994.db2.gz NDMZUCANNGOKLM-BQBZGAKWSA-N 1 2 240.263 -0.106 20 0 BBADLO COC(=O)[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@H]1C ZINC000346646854 355017816 /nfs/dbraw/zinc/01/78/16/355017816.db2.gz NDMZUCANNGOKLM-NKWVEPMBSA-N 1 2 240.263 -0.106 20 0 BBADLO COC(=O)[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)[C@H]1C ZINC000346646854 355017812 /nfs/dbraw/zinc/01/78/12/355017812.db2.gz NDMZUCANNGOKLM-NKWVEPMBSA-N 1 2 240.263 -0.106 20 0 BBADLO COC(=O)[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@@H]1C ZINC000346646855 355017722 /nfs/dbraw/zinc/01/77/22/355017722.db2.gz NDMZUCANNGOKLM-RNFRBKRXSA-N 1 2 240.263 -0.106 20 0 BBADLO COC(=O)[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)[C@@H]1C ZINC000346646855 355017720 /nfs/dbraw/zinc/01/77/20/355017720.db2.gz NDMZUCANNGOKLM-RNFRBKRXSA-N 1 2 240.263 -0.106 20 0 BBADLO COC(=O)[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@@H]1C ZINC000346646856 355018007 /nfs/dbraw/zinc/01/80/07/355018007.db2.gz NDMZUCANNGOKLM-RQJHMYQMSA-N 1 2 240.263 -0.106 20 0 BBADLO COC(=O)[C@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)[C@@H]1C ZINC000346646856 355018004 /nfs/dbraw/zinc/01/80/04/355018004.db2.gz NDMZUCANNGOKLM-RQJHMYQMSA-N 1 2 240.263 -0.106 20 0 BBADLO Cc1cccc(C[NH+]2CCN(CC(N)=O)CC2)n1 ZINC000346647958 355018147 /nfs/dbraw/zinc/01/81/47/355018147.db2.gz SSYLOYVBQJZUSK-UHFFFAOYSA-N 1 2 248.330 -0.007 20 0 BBADLO C[C@@H]1C[C@H](O)CCN1C(=O)[C@H]1COCC[N@H+]1C ZINC000346662842 355005722 /nfs/dbraw/zinc/00/57/22/355005722.db2.gz FKDXVHBOKVUOAU-GMTAPVOTSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1C[C@H](O)CCN1C(=O)[C@H]1COCC[N@@H+]1C ZINC000346662842 355005721 /nfs/dbraw/zinc/00/57/21/355005721.db2.gz FKDXVHBOKVUOAU-GMTAPVOTSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1C[C@H](O)CCN1C(=O)[C@@H]1COCC[N@H+]1C ZINC000346662845 355005621 /nfs/dbraw/zinc/00/56/21/355005621.db2.gz FKDXVHBOKVUOAU-MXWKQRLJSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1C[C@H](O)CCN1C(=O)[C@@H]1COCC[N@@H+]1C ZINC000346662845 355005619 /nfs/dbraw/zinc/00/56/19/355005619.db2.gz FKDXVHBOKVUOAU-MXWKQRLJSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1C[C@@H](O)CCN1C(=O)[C@H]1COCC[N@H+]1C ZINC000346662848 355005678 /nfs/dbraw/zinc/00/56/78/355005678.db2.gz FKDXVHBOKVUOAU-OUAUKWLOSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1C[C@@H](O)CCN1C(=O)[C@H]1COCC[N@@H+]1C ZINC000346662848 355005677 /nfs/dbraw/zinc/00/56/77/355005677.db2.gz FKDXVHBOKVUOAU-OUAUKWLOSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1C[C@@H](O)CCN1C(=O)[C@@H]1COCC[N@H+]1C ZINC000346663371 355005750 /nfs/dbraw/zinc/00/57/50/355005750.db2.gz FKDXVHBOKVUOAU-VWYCJHECSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1C[C@@H](O)CCN1C(=O)[C@@H]1COCC[N@@H+]1C ZINC000346663371 355005748 /nfs/dbraw/zinc/00/57/48/355005748.db2.gz FKDXVHBOKVUOAU-VWYCJHECSA-N 1 2 242.319 -0.311 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1CCCN([C@H](C)CO)CC1 ZINC000346687517 355013219 /nfs/dbraw/zinc/01/32/19/355013219.db2.gz WNCGFPDVTGKXGJ-GHMZBOCLSA-N 1 2 243.351 -0.361 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+]1CCCN([C@H](C)CO)CC1 ZINC000346687518 355012559 /nfs/dbraw/zinc/01/25/59/355012559.db2.gz WNCGFPDVTGKXGJ-MNOVXSKESA-N 1 2 243.351 -0.361 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+]1CCCN([C@@H](C)CO)CC1 ZINC000346687519 355012849 /nfs/dbraw/zinc/01/28/49/355012849.db2.gz WNCGFPDVTGKXGJ-QWRGUYRKSA-N 1 2 243.351 -0.361 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1CCCN([C@@H](C)CO)CC1 ZINC000346687520 355012892 /nfs/dbraw/zinc/01/28/92/355012892.db2.gz WNCGFPDVTGKXGJ-WDEREUQCSA-N 1 2 243.351 -0.361 20 0 BBADLO CN(CCCCCO)C(=O)[C@H]1COCC[N@H+]1C ZINC000346706644 355097550 /nfs/dbraw/zinc/09/75/50/355097550.db2.gz OZYRWZUQZBNUIM-LLVKDONJSA-N 1 2 244.335 -0.062 20 0 BBADLO CN(CCCCCO)C(=O)[C@H]1COCC[N@@H+]1C ZINC000346706644 355097543 /nfs/dbraw/zinc/09/75/43/355097543.db2.gz OZYRWZUQZBNUIM-LLVKDONJSA-N 1 2 244.335 -0.062 20 0 BBADLO CN(CCCCCO)C(=O)[C@@H]1COCC[N@H+]1C ZINC000346706645 355097774 /nfs/dbraw/zinc/09/77/74/355097774.db2.gz OZYRWZUQZBNUIM-NSHDSACASA-N 1 2 244.335 -0.062 20 0 BBADLO CN(CCCCCO)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000346706645 355097771 /nfs/dbraw/zinc/09/77/71/355097771.db2.gz OZYRWZUQZBNUIM-NSHDSACASA-N 1 2 244.335 -0.062 20 0 BBADLO C[NH+]1CCN(C(=O)c2ccc3n[nH]nc3n2)CC1 ZINC000346819628 355123871 /nfs/dbraw/zinc/12/38/71/355123871.db2.gz KCYXOWOQPRFEIQ-UHFFFAOYSA-N 1 2 246.274 -0.260 20 0 BBADLO C[C@H](CO)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000346828982 355128930 /nfs/dbraw/zinc/12/89/30/355128930.db2.gz OCILVXQMDAMCRR-JTQLQIEISA-N 1 2 244.335 -0.158 20 0 BBADLO C[C@@H](CO)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000346828987 355128684 /nfs/dbraw/zinc/12/86/84/355128684.db2.gz OCILVXQMDAMCRR-SNVBAGLBSA-N 1 2 244.335 -0.158 20 0 BBADLO CC[NH+]1CCN(C(=O)C(=O)NCC(F)F)CC1 ZINC000346873172 355140621 /nfs/dbraw/zinc/14/06/21/355140621.db2.gz ZFBHFGIRJOGJQZ-UHFFFAOYSA-N 1 2 249.261 -0.468 20 0 BBADLO CCCN(CC(N)=O)C(=O)CCn1cc[nH+]c1 ZINC000346897577 355147697 /nfs/dbraw/zinc/14/76/97/355147697.db2.gz FPFIWIMXHDTPCY-UHFFFAOYSA-N 1 2 238.291 -0.003 20 0 BBADLO CCCN(CC(N)=O)C(=O)Cc1[nH]c[nH+]c1C ZINC000346909098 355150995 /nfs/dbraw/zinc/15/09/95/355150995.db2.gz PQOVYDJVXOUGPA-UHFFFAOYSA-N 1 2 238.291 -0.015 20 0 BBADLO CC[N@@H+](CCn1cncn1)Cc1cn(C)nn1 ZINC000346983672 355185682 /nfs/dbraw/zinc/18/56/82/355185682.db2.gz GDKIHWTZBAXOEM-UHFFFAOYSA-N 1 2 235.295 -0.071 20 0 BBADLO CC[N@H+](CCn1cncn1)Cc1cn(C)nn1 ZINC000346983672 355185680 /nfs/dbraw/zinc/18/56/80/355185680.db2.gz GDKIHWTZBAXOEM-UHFFFAOYSA-N 1 2 235.295 -0.071 20 0 BBADLO CNC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000347003469 536317616 /nfs/dbraw/zinc/31/76/16/536317616.db2.gz YEKLULNPLWJULG-UHFFFAOYSA-N 1 2 238.295 -0.765 20 0 BBADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nnnn2C)[C@@H]1C ZINC000347026460 386221025 /nfs/dbraw/zinc/22/10/25/386221025.db2.gz UEVXGVHHBBNKRJ-HTQZYQBOSA-N 1 2 239.279 -0.407 20 0 BBADLO COC(=O)[C@@H]1CC[N@H+](Cc2nnnn2C)[C@@H]1C ZINC000347026460 386221021 /nfs/dbraw/zinc/22/10/21/386221021.db2.gz UEVXGVHHBBNKRJ-HTQZYQBOSA-N 1 2 239.279 -0.407 20 0 BBADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nnnn2C)[C@H]1C ZINC000347026462 386221405 /nfs/dbraw/zinc/22/14/05/386221405.db2.gz UEVXGVHHBBNKRJ-JGVFFNPUSA-N 1 2 239.279 -0.407 20 0 BBADLO COC(=O)[C@@H]1CC[N@H+](Cc2nnnn2C)[C@H]1C ZINC000347026462 386221402 /nfs/dbraw/zinc/22/14/02/386221402.db2.gz UEVXGVHHBBNKRJ-JGVFFNPUSA-N 1 2 239.279 -0.407 20 0 BBADLO COC(=O)[C@H]1CC[N@@H+](Cc2nnnn2C)[C@@H]1C ZINC000347026463 386220854 /nfs/dbraw/zinc/22/08/54/386220854.db2.gz UEVXGVHHBBNKRJ-SFYZADRCSA-N 1 2 239.279 -0.407 20 0 BBADLO COC(=O)[C@H]1CC[N@H+](Cc2nnnn2C)[C@@H]1C ZINC000347026463 386220850 /nfs/dbraw/zinc/22/08/50/386220850.db2.gz UEVXGVHHBBNKRJ-SFYZADRCSA-N 1 2 239.279 -0.407 20 0 BBADLO COC(=O)[C@H]1CC[N@@H+](Cc2nnnn2C)[C@H]1C ZINC000347026465 386220334 /nfs/dbraw/zinc/22/03/34/386220334.db2.gz UEVXGVHHBBNKRJ-YUMQZZPRSA-N 1 2 239.279 -0.407 20 0 BBADLO COC(=O)[C@H]1CC[N@H+](Cc2nnnn2C)[C@H]1C ZINC000347026465 386220325 /nfs/dbraw/zinc/22/03/25/386220325.db2.gz UEVXGVHHBBNKRJ-YUMQZZPRSA-N 1 2 239.279 -0.407 20 0 BBADLO C[C@H](c1nncn1C)[N@@H+](C)CC(C)(CO)CO ZINC000347039079 386226124 /nfs/dbraw/zinc/22/61/24/386226124.db2.gz VIKGZJBMLVTLHP-SECBINFHSA-N 1 2 242.323 -0.201 20 0 BBADLO C[C@H](c1nncn1C)[N@H+](C)CC(C)(CO)CO ZINC000347039079 386226123 /nfs/dbraw/zinc/22/61/23/386226123.db2.gz VIKGZJBMLVTLHP-SECBINFHSA-N 1 2 242.323 -0.201 20 0 BBADLO C[C@@H](c1nncn1C)[N@@H+](C)CC(C)(CO)CO ZINC000347039081 386226648 /nfs/dbraw/zinc/22/66/48/386226648.db2.gz VIKGZJBMLVTLHP-VIFPVBQESA-N 1 2 242.323 -0.201 20 0 BBADLO C[C@@H](c1nncn1C)[N@H+](C)CC(C)(CO)CO ZINC000347039081 386226645 /nfs/dbraw/zinc/22/66/45/386226645.db2.gz VIKGZJBMLVTLHP-VIFPVBQESA-N 1 2 242.323 -0.201 20 0 BBADLO Cc1nc2[nH]ccc2c(NCC(=O)NCCO)[nH+]1 ZINC000347083069 411778184 /nfs/dbraw/zinc/77/81/84/411778184.db2.gz FNNDCGBCNANSPK-UHFFFAOYSA-N 1 2 249.274 -0.213 20 0 BBADLO C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)C[NH+](C)C ZINC000347123301 386238328 /nfs/dbraw/zinc/23/83/28/386238328.db2.gz NHYXSLTUQVCTTH-BDAKNGLRSA-N 1 2 248.348 -0.418 20 0 BBADLO C[C@@H]1[C@H](C)N(C(=O)C[NH+](C)C)CCS1(=O)=O ZINC000347123314 133805231 /nfs/dbraw/zinc/80/52/31/133805231.db2.gz NHYXSLTUQVCTTH-DTWKUNHWSA-N 1 2 248.348 -0.418 20 0 BBADLO C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)C[NH+](C)C ZINC000347123315 386238073 /nfs/dbraw/zinc/23/80/73/386238073.db2.gz NHYXSLTUQVCTTH-IUCAKERBSA-N 1 2 248.348 -0.418 20 0 BBADLO C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)C[NH+](C)C ZINC000347123316 386238355 /nfs/dbraw/zinc/23/83/55/386238355.db2.gz NHYXSLTUQVCTTH-RKDXNWHRSA-N 1 2 248.348 -0.418 20 0 BBADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCn1cncn1 ZINC000347154860 386263725 /nfs/dbraw/zinc/26/37/25/386263725.db2.gz CFBXWHUORZMYCW-SECBINFHSA-N 1 2 223.280 -0.559 20 0 BBADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCn1cncn1 ZINC000347154860 386263721 /nfs/dbraw/zinc/26/37/21/386263721.db2.gz CFBXWHUORZMYCW-SECBINFHSA-N 1 2 223.280 -0.559 20 0 BBADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCn1cncn1 ZINC000347154863 386263930 /nfs/dbraw/zinc/26/39/30/386263930.db2.gz CFBXWHUORZMYCW-VIFPVBQESA-N 1 2 223.280 -0.559 20 0 BBADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCn1cncn1 ZINC000347154863 386263927 /nfs/dbraw/zinc/26/39/27/386263927.db2.gz CFBXWHUORZMYCW-VIFPVBQESA-N 1 2 223.280 -0.559 20 0 BBADLO CN(C)S(=O)(=O)N1CC[N@@H+](C)CC1(C)C ZINC000347164696 133810458 /nfs/dbraw/zinc/81/04/58/133810458.db2.gz ZEAAJLFMCHDNJQ-UHFFFAOYSA-N 1 2 235.353 -0.181 20 0 BBADLO CN(C)S(=O)(=O)N1CC[N@H+](C)CC1(C)C ZINC000347164696 133810457 /nfs/dbraw/zinc/81/04/57/133810457.db2.gz ZEAAJLFMCHDNJQ-UHFFFAOYSA-N 1 2 235.353 -0.181 20 0 BBADLO CC(C)c1nc(NCC(=O)NCCO)cc[nH+]1 ZINC000347194159 412322323 /nfs/dbraw/zinc/32/23/23/412322323.db2.gz JXSNVGDAXHVRTB-UHFFFAOYSA-N 1 2 238.291 0.120 20 0 BBADLO CCN1CC[N@@H+](CCn2cncn2)[C@@H](C)C1=O ZINC000347246769 386278095 /nfs/dbraw/zinc/27/80/95/386278095.db2.gz JMMSPHDLVVUEFA-JTQLQIEISA-N 1 2 237.307 -0.169 20 0 BBADLO CCN1CC[N@H+](CCn2cncn2)[C@@H](C)C1=O ZINC000347246769 386278090 /nfs/dbraw/zinc/27/80/90/386278090.db2.gz JMMSPHDLVVUEFA-JTQLQIEISA-N 1 2 237.307 -0.169 20 0 BBADLO CCN1CC[N@@H+](CCn2cncn2)[C@H](C)C1=O ZINC000347246771 386278234 /nfs/dbraw/zinc/27/82/34/386278234.db2.gz JMMSPHDLVVUEFA-SNVBAGLBSA-N 1 2 237.307 -0.169 20 0 BBADLO CCN1CC[N@H+](CCn2cncn2)[C@H](C)C1=O ZINC000347246771 386278228 /nfs/dbraw/zinc/27/82/28/386278228.db2.gz JMMSPHDLVVUEFA-SNVBAGLBSA-N 1 2 237.307 -0.169 20 0 BBADLO COCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347279689 386314859 /nfs/dbraw/zinc/31/48/59/386314859.db2.gz QMIYEZXWOFPOCD-UHFFFAOYSA-N 1 2 228.292 -0.386 20 0 BBADLO CCc1nnc(C[N@H+]2[C@@H](CO)CC[C@H]2CO)[nH]1 ZINC000347292726 386295394 /nfs/dbraw/zinc/29/53/94/386295394.db2.gz PCWQYZAWPLBHST-DTORHVGOSA-N 1 2 240.307 -0.315 20 0 BBADLO CCc1nnc(C[N@@H+]2[C@@H](CO)CC[C@H]2CO)[nH]1 ZINC000347292726 386295392 /nfs/dbraw/zinc/29/53/92/386295392.db2.gz PCWQYZAWPLBHST-DTORHVGOSA-N 1 2 240.307 -0.315 20 0 BBADLO CCc1nnc(C[NH+]2[C@H](CO)CC[C@H]2CO)[nH]1 ZINC000347292727 386294708 /nfs/dbraw/zinc/29/47/08/386294708.db2.gz PCWQYZAWPLBHST-IUCAKERBSA-N 1 2 240.307 -0.315 20 0 BBADLO CCc1nnc(C[NH+]2[C@@H](CO)CC[C@@H]2CO)[nH]1 ZINC000347292728 386294469 /nfs/dbraw/zinc/29/44/69/386294469.db2.gz PCWQYZAWPLBHST-RKDXNWHRSA-N 1 2 240.307 -0.315 20 0 BBADLO COC[C@H](O)C[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000347315836 386356437 /nfs/dbraw/zinc/35/64/37/386356437.db2.gz ICKDVTPLIZVBAD-AMDHYVTDSA-N 1 2 235.349 -0.165 20 0 BBADLO COC[C@H](O)C[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000347315836 386356433 /nfs/dbraw/zinc/35/64/33/386356433.db2.gz ICKDVTPLIZVBAD-AMDHYVTDSA-N 1 2 235.349 -0.165 20 0 BBADLO COC[C@H](O)C[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000347315842 386355419 /nfs/dbraw/zinc/35/54/19/386355419.db2.gz ICKDVTPLIZVBAD-FHTCGPRVSA-N 1 2 235.349 -0.165 20 0 BBADLO COC[C@H](O)C[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000347315842 386355415 /nfs/dbraw/zinc/35/54/15/386355415.db2.gz ICKDVTPLIZVBAD-FHTCGPRVSA-N 1 2 235.349 -0.165 20 0 BBADLO COC[C@H](O)C[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000347315846 386356722 /nfs/dbraw/zinc/35/67/22/386356722.db2.gz ICKDVTPLIZVBAD-MSFDSXBXSA-N 1 2 235.349 -0.165 20 0 BBADLO COC[C@H](O)C[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000347315846 386356719 /nfs/dbraw/zinc/35/67/19/386356719.db2.gz ICKDVTPLIZVBAD-MSFDSXBXSA-N 1 2 235.349 -0.165 20 0 BBADLO COC[C@H](O)C[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000347315848 386355054 /nfs/dbraw/zinc/35/50/54/386355054.db2.gz ICKDVTPLIZVBAD-VGAUDOQQSA-N 1 2 235.349 -0.165 20 0 BBADLO COC[C@H](O)C[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000347315848 386355047 /nfs/dbraw/zinc/35/50/47/386355047.db2.gz ICKDVTPLIZVBAD-VGAUDOQQSA-N 1 2 235.349 -0.165 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@](F)(CO)C1 ZINC000347341399 386335687 /nfs/dbraw/zinc/33/56/87/386335687.db2.gz OQRBADGCGBHNJE-GMSGAONNSA-N 1 2 247.270 -0.634 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347341399 386335681 /nfs/dbraw/zinc/33/56/81/386335681.db2.gz OQRBADGCGBHNJE-GMSGAONNSA-N 1 2 247.270 -0.634 20 0 BBADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@](F)(CO)C1 ZINC000347341401 386335709 /nfs/dbraw/zinc/33/57/09/386335709.db2.gz OQRBADGCGBHNJE-OIBJUYFYSA-N 1 2 247.270 -0.634 20 0 BBADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347341401 386335700 /nfs/dbraw/zinc/33/57/00/386335700.db2.gz OQRBADGCGBHNJE-OIBJUYFYSA-N 1 2 247.270 -0.634 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347341404 386335273 /nfs/dbraw/zinc/33/52/73/386335273.db2.gz OQRBADGCGBHNJE-XCBNKYQSSA-N 1 2 247.270 -0.634 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347341404 386335269 /nfs/dbraw/zinc/33/52/69/386335269.db2.gz OQRBADGCGBHNJE-XCBNKYQSSA-N 1 2 247.270 -0.634 20 0 BBADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347341406 386334890 /nfs/dbraw/zinc/33/48/90/386334890.db2.gz OQRBADGCGBHNJE-XVKPBYJWSA-N 1 2 247.270 -0.634 20 0 BBADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347341406 386334889 /nfs/dbraw/zinc/33/48/89/386334889.db2.gz OQRBADGCGBHNJE-XVKPBYJWSA-N 1 2 247.270 -0.634 20 0 BBADLO O=C1NCC[C@H]1[N@H+]1CCC[C@](F)(CO)C1 ZINC000347351540 386345567 /nfs/dbraw/zinc/34/55/67/386345567.db2.gz XKGGITIKPDUCEI-PSASIEDQSA-N 1 2 216.256 -0.329 20 0 BBADLO O=C1NCC[C@H]1[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347351540 386345558 /nfs/dbraw/zinc/34/55/58/386345558.db2.gz XKGGITIKPDUCEI-PSASIEDQSA-N 1 2 216.256 -0.329 20 0 BBADLO O=C1NCC[C@H]1[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347351542 386346426 /nfs/dbraw/zinc/34/64/26/386346426.db2.gz XKGGITIKPDUCEI-SCZZXKLOSA-N 1 2 216.256 -0.329 20 0 BBADLO O=C1NCC[C@H]1[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347351542 386346424 /nfs/dbraw/zinc/34/64/24/386346424.db2.gz XKGGITIKPDUCEI-SCZZXKLOSA-N 1 2 216.256 -0.329 20 0 BBADLO O=C1NCC[C@@H]1[N@H+]1CCC[C@](F)(CO)C1 ZINC000347351544 386345302 /nfs/dbraw/zinc/34/53/02/386345302.db2.gz XKGGITIKPDUCEI-WCBMZHEXSA-N 1 2 216.256 -0.329 20 0 BBADLO O=C1NCC[C@@H]1[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347351544 386345296 /nfs/dbraw/zinc/34/52/96/386345296.db2.gz XKGGITIKPDUCEI-WCBMZHEXSA-N 1 2 216.256 -0.329 20 0 BBADLO O=C1NCC[C@@H]1[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347351546 386346643 /nfs/dbraw/zinc/34/66/43/386346643.db2.gz XKGGITIKPDUCEI-WPRPVWTQSA-N 1 2 216.256 -0.329 20 0 BBADLO O=C1NCC[C@@H]1[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347351546 386346635 /nfs/dbraw/zinc/34/66/35/386346635.db2.gz XKGGITIKPDUCEI-WPRPVWTQSA-N 1 2 216.256 -0.329 20 0 BBADLO CCc1nc(C[N@H+]2[C@@H](CO)CC[C@H]2CO)no1 ZINC000347354913 386392394 /nfs/dbraw/zinc/39/23/94/386392394.db2.gz ZTCWZZSGJDCQNQ-DTORHVGOSA-N 1 2 241.291 -0.050 20 0 BBADLO CCc1nc(C[N@@H+]2[C@@H](CO)CC[C@H]2CO)no1 ZINC000347354913 386392389 /nfs/dbraw/zinc/39/23/89/386392389.db2.gz ZTCWZZSGJDCQNQ-DTORHVGOSA-N 1 2 241.291 -0.050 20 0 BBADLO CCc1nc(C[NH+]2[C@H](CO)CC[C@H]2CO)no1 ZINC000347354925 386392311 /nfs/dbraw/zinc/39/23/11/386392311.db2.gz ZTCWZZSGJDCQNQ-IUCAKERBSA-N 1 2 241.291 -0.050 20 0 BBADLO CCc1nc(C[NH+]2[C@@H](CO)CC[C@@H]2CO)no1 ZINC000347354928 386391857 /nfs/dbraw/zinc/39/18/57/386391857.db2.gz ZTCWZZSGJDCQNQ-RKDXNWHRSA-N 1 2 241.291 -0.050 20 0 BBADLO CNC(=O)C[N@H+]1CCC[C@](F)(CO)C1 ZINC000347360999 386365221 /nfs/dbraw/zinc/36/52/21/386365221.db2.gz WVQFLMBZBPEWMU-SECBINFHSA-N 1 2 204.245 -0.471 20 0 BBADLO CNC(=O)C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347360999 386365213 /nfs/dbraw/zinc/36/52/13/386365213.db2.gz WVQFLMBZBPEWMU-SECBINFHSA-N 1 2 204.245 -0.471 20 0 BBADLO CNC(=O)C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347361003 386366340 /nfs/dbraw/zinc/36/63/40/386366340.db2.gz WVQFLMBZBPEWMU-VIFPVBQESA-N 1 2 204.245 -0.471 20 0 BBADLO CNC(=O)C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347361003 386366336 /nfs/dbraw/zinc/36/63/36/386366336.db2.gz WVQFLMBZBPEWMU-VIFPVBQESA-N 1 2 204.245 -0.471 20 0 BBADLO COC(=O)C[N@H+]1CCSC[C@H]1CCO ZINC000347370612 386368529 /nfs/dbraw/zinc/36/85/29/386368529.db2.gz BBKYFTNOCWFXLP-MRVPVSSYSA-N 1 2 219.306 -0.041 20 0 BBADLO COC(=O)C[N@@H+]1CCSC[C@H]1CCO ZINC000347370612 386368523 /nfs/dbraw/zinc/36/85/23/386368523.db2.gz BBKYFTNOCWFXLP-MRVPVSSYSA-N 1 2 219.306 -0.041 20 0 BBADLO COC(=O)C[N@H+]1CCSC[C@@H]1CCO ZINC000347370613 386369208 /nfs/dbraw/zinc/36/92/08/386369208.db2.gz BBKYFTNOCWFXLP-QMMMGPOBSA-N 1 2 219.306 -0.041 20 0 BBADLO COC(=O)C[N@@H+]1CCSC[C@@H]1CCO ZINC000347370613 386369207 /nfs/dbraw/zinc/36/92/07/386369207.db2.gz BBKYFTNOCWFXLP-QMMMGPOBSA-N 1 2 219.306 -0.041 20 0 BBADLO Cn1[nH]c(C[N@H+]2CCCC[C@@H]2CO)nc1=O ZINC000347381594 386374187 /nfs/dbraw/zinc/37/41/87/386374187.db2.gz IOBFLECEWQAECA-MRVPVSSYSA-N 1 2 226.280 -0.545 20 0 BBADLO Cn1[nH]c(C[N@@H+]2CCCC[C@@H]2CO)nc1=O ZINC000347381594 386374185 /nfs/dbraw/zinc/37/41/85/386374185.db2.gz IOBFLECEWQAECA-MRVPVSSYSA-N 1 2 226.280 -0.545 20 0 BBADLO Cn1[nH]c(C[N@H+]2CCCC[C@H]2CO)nc1=O ZINC000347381595 386374516 /nfs/dbraw/zinc/37/45/16/386374516.db2.gz IOBFLECEWQAECA-QMMMGPOBSA-N 1 2 226.280 -0.545 20 0 BBADLO Cn1[nH]c(C[N@@H+]2CCCC[C@H]2CO)nc1=O ZINC000347381595 386374512 /nfs/dbraw/zinc/37/45/12/386374512.db2.gz IOBFLECEWQAECA-QMMMGPOBSA-N 1 2 226.280 -0.545 20 0 BBADLO COC(=O)CNC(=O)C[N@H+]1CC[C@](C)(F)C1 ZINC000347390641 386378506 /nfs/dbraw/zinc/37/85/06/386378506.db2.gz SOLDLXOPSJEEDJ-JTQLQIEISA-N 1 2 232.255 -0.291 20 0 BBADLO COC(=O)CNC(=O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000347390641 386378504 /nfs/dbraw/zinc/37/85/04/386378504.db2.gz SOLDLXOPSJEEDJ-JTQLQIEISA-N 1 2 232.255 -0.291 20 0 BBADLO COC(=O)CNC(=O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000347390649 386379827 /nfs/dbraw/zinc/37/98/27/386379827.db2.gz SOLDLXOPSJEEDJ-SNVBAGLBSA-N 1 2 232.255 -0.291 20 0 BBADLO COC(=O)CNC(=O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000347390649 386379824 /nfs/dbraw/zinc/37/98/24/386379824.db2.gz SOLDLXOPSJEEDJ-SNVBAGLBSA-N 1 2 232.255 -0.291 20 0 BBADLO CCOC(=O)CC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000347399931 386385840 /nfs/dbraw/zinc/38/58/40/386385840.db2.gz MHFOEJJWFOBPFT-UHFFFAOYSA-N 1 2 242.279 -0.507 20 0 BBADLO CCOC(=O)CC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000347399931 386385836 /nfs/dbraw/zinc/38/58/36/386385836.db2.gz MHFOEJJWFOBPFT-UHFFFAOYSA-N 1 2 242.279 -0.507 20 0 BBADLO Cn1[nH]c(C[N@@H+](C)CCn2cccn2)nc1=O ZINC000347454485 386409720 /nfs/dbraw/zinc/40/97/20/386409720.db2.gz BQQIMCBGPFJSNF-UHFFFAOYSA-N 1 2 236.279 -0.563 20 0 BBADLO Cn1[nH]c(C[N@H+](C)CCn2cccn2)nc1=O ZINC000347454485 386409718 /nfs/dbraw/zinc/40/97/18/386409718.db2.gz BQQIMCBGPFJSNF-UHFFFAOYSA-N 1 2 236.279 -0.563 20 0 BBADLO CC[C@@H](C)[N@@H+](CCO)Cc1nnnn1C ZINC000347463339 386415155 /nfs/dbraw/zinc/41/51/55/386415155.db2.gz ZARQYXLNFHEXSO-MRVPVSSYSA-N 1 2 213.285 -0.197 20 0 BBADLO CC[C@@H](C)[N@H+](CCO)Cc1nnnn1C ZINC000347463339 386415148 /nfs/dbraw/zinc/41/51/48/386415148.db2.gz ZARQYXLNFHEXSO-MRVPVSSYSA-N 1 2 213.285 -0.197 20 0 BBADLO CC[C@H](C)[N@@H+](CCO)Cc1nnnn1C ZINC000347463501 386414368 /nfs/dbraw/zinc/41/43/68/386414368.db2.gz ZARQYXLNFHEXSO-QMMMGPOBSA-N 1 2 213.285 -0.197 20 0 BBADLO CC[C@H](C)[N@H+](CCO)Cc1nnnn1C ZINC000347463501 386414359 /nfs/dbraw/zinc/41/43/59/386414359.db2.gz ZARQYXLNFHEXSO-QMMMGPOBSA-N 1 2 213.285 -0.197 20 0 BBADLO Cn1[nH]c(C[N@@H+](C)CCOCC2CC2)nc1=O ZINC000347465748 386414533 /nfs/dbraw/zinc/41/45/33/386414533.db2.gz OLMVBTNHWWWQOQ-UHFFFAOYSA-N 1 2 240.307 -0.033 20 0 BBADLO Cn1[nH]c(C[N@H+](C)CCOCC2CC2)nc1=O ZINC000347465748 386414527 /nfs/dbraw/zinc/41/45/27/386414527.db2.gz OLMVBTNHWWWQOQ-UHFFFAOYSA-N 1 2 240.307 -0.033 20 0 BBADLO Cc1ccc(NC(=O)C(=O)NCCO)c(C)[nH+]1 ZINC000347481869 386435395 /nfs/dbraw/zinc/43/53/95/386435395.db2.gz ANSSGUJXUXPUGY-UHFFFAOYSA-N 1 2 237.259 -0.255 20 0 BBADLO OCCC[N@@H+](CCO)Cc1nnc(C2CC2)[nH]1 ZINC000347489087 386441584 /nfs/dbraw/zinc/44/15/84/386441584.db2.gz SUKIOUIBWMIXEF-UHFFFAOYSA-N 1 2 240.307 -0.141 20 0 BBADLO OCCC[N@H+](CCO)Cc1nnc(C2CC2)[nH]1 ZINC000347489087 386441578 /nfs/dbraw/zinc/44/15/78/386441578.db2.gz SUKIOUIBWMIXEF-UHFFFAOYSA-N 1 2 240.307 -0.141 20 0 BBADLO CCOCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000347525528 355232252 /nfs/dbraw/zinc/23/22/52/355232252.db2.gz CIGOIYNPJQMJMK-UHFFFAOYSA-N 1 2 214.269 -0.423 20 0 BBADLO CCOCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000347525528 355232249 /nfs/dbraw/zinc/23/22/49/355232249.db2.gz CIGOIYNPJQMJMK-UHFFFAOYSA-N 1 2 214.269 -0.423 20 0 BBADLO NS(=O)(=O)[C@@H]1CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000347530098 386442353 /nfs/dbraw/zinc/44/23/53/386442353.db2.gz GXOTXUNAKAFAOG-MRVPVSSYSA-N 1 2 244.320 -0.337 20 0 BBADLO NS(=O)(=O)[C@H]1CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000347530100 386440147 /nfs/dbraw/zinc/44/01/47/386440147.db2.gz GXOTXUNAKAFAOG-QMMMGPOBSA-N 1 2 244.320 -0.337 20 0 BBADLO CC[C@H]1C[N@@H+](CCNC(=O)COC)CCO1 ZINC000347591664 355248954 /nfs/dbraw/zinc/24/89/54/355248954.db2.gz QXBZOBQUPHSJIO-JTQLQIEISA-N 1 2 230.308 -0.140 20 0 BBADLO CC[C@H]1C[N@H+](CCNC(=O)COC)CCO1 ZINC000347591664 355248952 /nfs/dbraw/zinc/24/89/52/355248952.db2.gz QXBZOBQUPHSJIO-JTQLQIEISA-N 1 2 230.308 -0.140 20 0 BBADLO CC[C@@H]1C[N@@H+](CCNC(=O)COC)CCO1 ZINC000347591665 355249399 /nfs/dbraw/zinc/24/93/99/355249399.db2.gz QXBZOBQUPHSJIO-SNVBAGLBSA-N 1 2 230.308 -0.140 20 0 BBADLO CC[C@@H]1C[N@H+](CCNC(=O)COC)CCO1 ZINC000347591665 355249396 /nfs/dbraw/zinc/24/93/96/355249396.db2.gz QXBZOBQUPHSJIO-SNVBAGLBSA-N 1 2 230.308 -0.140 20 0 BBADLO COC(=O)c1cc(C[N@@H+](C)CC(N)=O)cn1C ZINC000347661529 136002743 /nfs/dbraw/zinc/00/27/43/136002743.db2.gz LCHOZMPLWQCQST-UHFFFAOYSA-N 1 2 239.275 -0.271 20 0 BBADLO COC(=O)c1cc(C[N@H+](C)CC(N)=O)cn1C ZINC000347661529 136002742 /nfs/dbraw/zinc/00/27/42/136002742.db2.gz LCHOZMPLWQCQST-UHFFFAOYSA-N 1 2 239.275 -0.271 20 0 BBADLO CCNC(=O)C1CN(Cc2[nH+]ccn2C)C1 ZINC000347690961 136005540 /nfs/dbraw/zinc/00/55/40/136005540.db2.gz NGHSUVWKDPPWLU-UHFFFAOYSA-N 1 2 222.292 -0.012 20 0 BBADLO CCC[C@@H](NC(N)=O)C(=O)NCc1[nH]cc[nH+]1 ZINC000347693172 535362865 /nfs/dbraw/zinc/36/28/65/535362865.db2.gz OYVXIGBKZGXOPS-SSDOTTSWSA-N 1 2 239.279 -0.137 20 0 BBADLO CCC[C@H](NC(N)=O)C(=O)NCc1[nH]cc[nH+]1 ZINC000347693175 136005787 /nfs/dbraw/zinc/00/57/87/136005787.db2.gz OYVXIGBKZGXOPS-ZETCQYMHSA-N 1 2 239.279 -0.137 20 0 BBADLO CCC[C@@H](NC(N)=O)C(=O)NCc1c[nH]c[nH+]1 ZINC000347699756 535363158 /nfs/dbraw/zinc/36/31/58/535363158.db2.gz AFKIXFSFCHSEAB-MRVPVSSYSA-N 1 2 239.279 -0.137 20 0 BBADLO CCC[C@@H](NC(N)=O)C(=O)NCc1c[nH+]c[nH]1 ZINC000347699756 535363157 /nfs/dbraw/zinc/36/31/57/535363157.db2.gz AFKIXFSFCHSEAB-MRVPVSSYSA-N 1 2 239.279 -0.137 20 0 BBADLO CCC[C@H](NC(N)=O)C(=O)NCc1c[nH]c[nH+]1 ZINC000347699760 136007373 /nfs/dbraw/zinc/00/73/73/136007373.db2.gz AFKIXFSFCHSEAB-QMMMGPOBSA-N 1 2 239.279 -0.137 20 0 BBADLO CCC[C@H](NC(N)=O)C(=O)NCc1c[nH+]c[nH]1 ZINC000347699760 136007372 /nfs/dbraw/zinc/00/73/72/136007372.db2.gz AFKIXFSFCHSEAB-QMMMGPOBSA-N 1 2 239.279 -0.137 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCO[C@H](C)C1 ZINC000347713967 136002961 /nfs/dbraw/zinc/00/29/61/136002961.db2.gz DUHMMROWERCJMD-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCO[C@H](C)C1 ZINC000347713967 136002960 /nfs/dbraw/zinc/00/29/60/136002960.db2.gz DUHMMROWERCJMD-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCO[C@H](C)C1 ZINC000347713968 136003184 /nfs/dbraw/zinc/00/31/84/136003184.db2.gz DUHMMROWERCJMD-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCO[C@H](C)C1 ZINC000347713968 136003183 /nfs/dbraw/zinc/00/31/83/136003183.db2.gz DUHMMROWERCJMD-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCO[C@@H](C)C1 ZINC000347713969 136003244 /nfs/dbraw/zinc/00/32/44/136003244.db2.gz DUHMMROWERCJMD-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCO[C@@H](C)C1 ZINC000347713969 136003243 /nfs/dbraw/zinc/00/32/43/136003243.db2.gz DUHMMROWERCJMD-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCO[C@@H](C)C1 ZINC000347713970 136002975 /nfs/dbraw/zinc/00/29/75/136002975.db2.gz DUHMMROWERCJMD-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCO[C@@H](C)C1 ZINC000347713970 136002974 /nfs/dbraw/zinc/00/29/74/136002974.db2.gz DUHMMROWERCJMD-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](O)C1 ZINC000347717009 136002972 /nfs/dbraw/zinc/00/29/72/136002972.db2.gz LUMVGPMFUYSXEL-NXEZZACHSA-N 1 2 228.292 -0.700 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](O)C1 ZINC000347717009 136002971 /nfs/dbraw/zinc/00/29/71/136002971.db2.gz LUMVGPMFUYSXEL-NXEZZACHSA-N 1 2 228.292 -0.700 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@H](O)C1 ZINC000347717011 136003175 /nfs/dbraw/zinc/00/31/75/136003175.db2.gz LUMVGPMFUYSXEL-UWVGGRQHSA-N 1 2 228.292 -0.700 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@H](O)C1 ZINC000347717011 136003174 /nfs/dbraw/zinc/00/31/74/136003174.db2.gz LUMVGPMFUYSXEL-UWVGGRQHSA-N 1 2 228.292 -0.700 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](O)C1 ZINC000347717012 136002933 /nfs/dbraw/zinc/00/29/33/136002933.db2.gz LUMVGPMFUYSXEL-VHSXEESVSA-N 1 2 228.292 -0.700 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](O)C1 ZINC000347717012 136002932 /nfs/dbraw/zinc/00/29/32/136002932.db2.gz LUMVGPMFUYSXEL-VHSXEESVSA-N 1 2 228.292 -0.700 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](O)C1 ZINC000347717014 136003134 /nfs/dbraw/zinc/00/31/34/136003134.db2.gz LUMVGPMFUYSXEL-ZJUUUORDSA-N 1 2 228.292 -0.700 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](O)C1 ZINC000347717014 136003133 /nfs/dbraw/zinc/00/31/33/136003133.db2.gz LUMVGPMFUYSXEL-ZJUUUORDSA-N 1 2 228.292 -0.700 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(O)CC1 ZINC000347719062 136003742 /nfs/dbraw/zinc/00/37/42/136003742.db2.gz GTJWTHULIYRNHJ-LLVKDONJSA-N 1 2 242.319 -0.310 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(O)CC1 ZINC000347719062 136003741 /nfs/dbraw/zinc/00/37/41/136003741.db2.gz GTJWTHULIYRNHJ-LLVKDONJSA-N 1 2 242.319 -0.310 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC(O)CC1 ZINC000347719065 136003585 /nfs/dbraw/zinc/00/35/85/136003585.db2.gz GTJWTHULIYRNHJ-NSHDSACASA-N 1 2 242.319 -0.310 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(O)CC1 ZINC000347719065 136003584 /nfs/dbraw/zinc/00/35/84/136003584.db2.gz GTJWTHULIYRNHJ-NSHDSACASA-N 1 2 242.319 -0.310 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)CCOC ZINC000347720419 136003440 /nfs/dbraw/zinc/00/34/40/136003440.db2.gz SRAMGLRXXLZLOP-JTQLQIEISA-N 1 2 230.308 -0.188 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)CCOC ZINC000347720419 136003439 /nfs/dbraw/zinc/00/34/39/136003439.db2.gz SRAMGLRXXLZLOP-JTQLQIEISA-N 1 2 230.308 -0.188 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)CCOC ZINC000347721319 136003788 /nfs/dbraw/zinc/00/37/88/136003788.db2.gz SRAMGLRXXLZLOP-SNVBAGLBSA-N 1 2 230.308 -0.188 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)CCOC ZINC000347721319 136003787 /nfs/dbraw/zinc/00/37/87/136003787.db2.gz SRAMGLRXXLZLOP-SNVBAGLBSA-N 1 2 230.308 -0.188 20 0 BBADLO CC[NH+]1CCN(C[C@@](C)(O)C(C)=O)CC1 ZINC000347721964 535710693 /nfs/dbraw/zinc/71/06/93/535710693.db2.gz BBOISLYWFGAUMU-LLVKDONJSA-N 1 2 214.309 -0.036 20 0 BBADLO CC[NH+]1CCN(C[C@](C)(O)C(C)=O)CC1 ZINC000347721965 136003492 /nfs/dbraw/zinc/00/34/92/136003492.db2.gz BBOISLYWFGAUMU-NSHDSACASA-N 1 2 214.309 -0.036 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H](O)C1 ZINC000347732331 136004357 /nfs/dbraw/zinc/00/43/57/136004357.db2.gz YKGJVJAPTJBAOU-GHMZBOCLSA-N 1 2 242.319 -0.310 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H](O)C1 ZINC000347732331 136004356 /nfs/dbraw/zinc/00/43/56/136004356.db2.gz YKGJVJAPTJBAOU-GHMZBOCLSA-N 1 2 242.319 -0.310 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H](O)C1 ZINC000347732332 136004453 /nfs/dbraw/zinc/00/44/53/136004453.db2.gz YKGJVJAPTJBAOU-MNOVXSKESA-N 1 2 242.319 -0.310 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H](O)C1 ZINC000347732332 136004452 /nfs/dbraw/zinc/00/44/52/136004452.db2.gz YKGJVJAPTJBAOU-MNOVXSKESA-N 1 2 242.319 -0.310 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@H](O)C1 ZINC000347732333 136004499 /nfs/dbraw/zinc/00/44/99/136004499.db2.gz YKGJVJAPTJBAOU-QWRGUYRKSA-N 1 2 242.319 -0.310 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@H](O)C1 ZINC000347732333 136004498 /nfs/dbraw/zinc/00/44/98/136004498.db2.gz YKGJVJAPTJBAOU-QWRGUYRKSA-N 1 2 242.319 -0.310 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H](O)C1 ZINC000347732334 136004438 /nfs/dbraw/zinc/00/44/38/136004438.db2.gz YKGJVJAPTJBAOU-WDEREUQCSA-N 1 2 242.319 -0.310 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H](O)C1 ZINC000347732334 136004437 /nfs/dbraw/zinc/00/44/37/136004437.db2.gz YKGJVJAPTJBAOU-WDEREUQCSA-N 1 2 242.319 -0.310 20 0 BBADLO C[N@H+]1CCC[C@@H]1CNC(=O)CS(C)(=O)=O ZINC000347734394 136004400 /nfs/dbraw/zinc/00/44/00/136004400.db2.gz GQCLPKNLWPRFEJ-MRVPVSSYSA-N 1 2 234.321 -0.759 20 0 BBADLO C[N@@H+]1CCC[C@@H]1CNC(=O)CS(C)(=O)=O ZINC000347734394 136004399 /nfs/dbraw/zinc/00/43/99/136004399.db2.gz GQCLPKNLWPRFEJ-MRVPVSSYSA-N 1 2 234.321 -0.759 20 0 BBADLO C[N@H+]1CCC[C@H]1CNC(=O)CS(C)(=O)=O ZINC000347734401 536391339 /nfs/dbraw/zinc/39/13/39/536391339.db2.gz GQCLPKNLWPRFEJ-QMMMGPOBSA-N 1 2 234.321 -0.759 20 0 BBADLO C[N@@H+]1CCC[C@H]1CNC(=O)CS(C)(=O)=O ZINC000347734401 536391336 /nfs/dbraw/zinc/39/13/36/536391336.db2.gz GQCLPKNLWPRFEJ-QMMMGPOBSA-N 1 2 234.321 -0.759 20 0 BBADLO CCNS(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000347740095 535484746 /nfs/dbraw/zinc/48/47/46/535484746.db2.gz RTSYTVNTACVODK-UHFFFAOYSA-N 1 2 232.309 -0.294 20 0 BBADLO C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C)S(C)(=O)=O ZINC000347748390 136010970 /nfs/dbraw/zinc/01/09/70/136010970.db2.gz RNACYHBNPBCGHC-BDAKNGLRSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)S(C)(=O)=O ZINC000347748390 136010969 /nfs/dbraw/zinc/01/09/69/136010969.db2.gz RNACYHBNPBCGHC-BDAKNGLRSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C)S(C)(=O)=O ZINC000347748391 136010917 /nfs/dbraw/zinc/01/09/17/136010917.db2.gz RNACYHBNPBCGHC-DTWKUNHWSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C)S(C)(=O)=O ZINC000347748391 136010916 /nfs/dbraw/zinc/01/09/16/136010916.db2.gz RNACYHBNPBCGHC-DTWKUNHWSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1C)S(C)(=O)=O ZINC000347748392 136010667 /nfs/dbraw/zinc/01/06/67/136010667.db2.gz RNACYHBNPBCGHC-IUCAKERBSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)S(C)(=O)=O ZINC000347748392 136010666 /nfs/dbraw/zinc/01/06/66/136010666.db2.gz RNACYHBNPBCGHC-IUCAKERBSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@H](C(=O)NC[C@H]1CCC[N@H+]1C)S(C)(=O)=O ZINC000347748393 136011150 /nfs/dbraw/zinc/01/11/50/136011150.db2.gz RNACYHBNPBCGHC-RKDXNWHRSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1C)S(C)(=O)=O ZINC000347748393 136011149 /nfs/dbraw/zinc/01/11/49/136011149.db2.gz RNACYHBNPBCGHC-RKDXNWHRSA-N 1 2 248.348 -0.370 20 0 BBADLO Cc1cnn(C)c1C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000347849825 136012393 /nfs/dbraw/zinc/01/23/93/136012393.db2.gz NQMQXZFHXCUCLR-JTQLQIEISA-N 1 2 238.291 -0.585 20 0 BBADLO Cc1cnn(C)c1C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000347849825 136012392 /nfs/dbraw/zinc/01/23/92/136012392.db2.gz NQMQXZFHXCUCLR-JTQLQIEISA-N 1 2 238.291 -0.585 20 0 BBADLO Cc1cnn(C)c1C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000347849826 136012365 /nfs/dbraw/zinc/01/23/65/136012365.db2.gz NQMQXZFHXCUCLR-SNVBAGLBSA-N 1 2 238.291 -0.585 20 0 BBADLO Cc1cnn(C)c1C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000347849826 136012364 /nfs/dbraw/zinc/01/23/64/136012364.db2.gz NQMQXZFHXCUCLR-SNVBAGLBSA-N 1 2 238.291 -0.585 20 0 BBADLO C[C@@]1(C(=O)NCC[NH+]2CCOCC2)CCOC1 ZINC000347853328 136013016 /nfs/dbraw/zinc/01/30/16/136013016.db2.gz XUWLHRURBFETRI-GFCCVEGCSA-N 1 2 242.319 -0.139 20 0 BBADLO C[C@]1(C(=O)NCC[NH+]2CCOCC2)CCOC1 ZINC000347853330 136013012 /nfs/dbraw/zinc/01/30/12/136013012.db2.gz XUWLHRURBFETRI-LBPRGKRZSA-N 1 2 242.319 -0.139 20 0 BBADLO CN(Cc1[nH+]ccn1C)c1ccc(C(N)=O)nn1 ZINC000347872402 136017221 /nfs/dbraw/zinc/01/72/21/136017221.db2.gz WLCQAENSCZJOAQ-UHFFFAOYSA-N 1 2 246.274 -0.055 20 0 BBADLO CCOCCC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000347883337 535456593 /nfs/dbraw/zinc/45/65/93/535456593.db2.gz KULQOYVTVKUJMP-LLVKDONJSA-N 1 2 243.351 -0.225 20 0 BBADLO CCOCCC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000347883337 535456587 /nfs/dbraw/zinc/45/65/87/535456587.db2.gz KULQOYVTVKUJMP-LLVKDONJSA-N 1 2 243.351 -0.225 20 0 BBADLO CCOCCC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000347883338 136014751 /nfs/dbraw/zinc/01/47/51/136014751.db2.gz KULQOYVTVKUJMP-NSHDSACASA-N 1 2 243.351 -0.225 20 0 BBADLO CCOCCC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000347883338 136014750 /nfs/dbraw/zinc/01/47/50/136014750.db2.gz KULQOYVTVKUJMP-NSHDSACASA-N 1 2 243.351 -0.225 20 0 BBADLO COCCCC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000347891361 136015179 /nfs/dbraw/zinc/01/51/79/136015179.db2.gz SSPZXGVBVKQQNV-LLVKDONJSA-N 1 2 243.351 -0.225 20 0 BBADLO COCCCC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000347891361 136015178 /nfs/dbraw/zinc/01/51/78/136015178.db2.gz SSPZXGVBVKQQNV-LLVKDONJSA-N 1 2 243.351 -0.225 20 0 BBADLO COCCCC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000347891365 136015275 /nfs/dbraw/zinc/01/52/75/136015275.db2.gz SSPZXGVBVKQQNV-NSHDSACASA-N 1 2 243.351 -0.225 20 0 BBADLO COCCCC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000347891365 136015274 /nfs/dbraw/zinc/01/52/74/136015274.db2.gz SSPZXGVBVKQQNV-NSHDSACASA-N 1 2 243.351 -0.225 20 0 BBADLO CN(C)C(=O)CC[NH+]1CCS(=O)CC1 ZINC000348004888 536075155 /nfs/dbraw/zinc/07/51/55/536075155.db2.gz IFYIAXWNCANOHI-UHFFFAOYSA-N 1 2 218.322 -0.471 20 0 BBADLO C[C@@H]1NC(=O)N(CCn2cc[nH+]c2)C1=O ZINC000348040025 136029121 /nfs/dbraw/zinc/02/91/21/136029121.db2.gz BTXGNNPGLKQQNC-ZETCQYMHSA-N 1 2 208.221 -0.177 20 0 BBADLO C[C@@]1(C(=O)N2CC[NH+](CCO)CC2)CCOC1 ZINC000348050970 136030991 /nfs/dbraw/zinc/03/09/91/136030991.db2.gz RHKYXKNUKGMRAX-GFCCVEGCSA-N 1 2 242.319 -0.451 20 0 BBADLO C[C@]1(C(=O)N2CC[NH+](CCO)CC2)CCOC1 ZINC000348050971 136030935 /nfs/dbraw/zinc/03/09/35/136030935.db2.gz RHKYXKNUKGMRAX-LBPRGKRZSA-N 1 2 242.319 -0.451 20 0 BBADLO COC(=O)[C@H](C)[N@@H+](C)CCN1CCOCC1 ZINC000348055848 136031920 /nfs/dbraw/zinc/03/19/20/136031920.db2.gz ZYXLVHFXZKSECT-JTQLQIEISA-N 1 2 230.308 -0.188 20 0 BBADLO COC(=O)[C@H](C)[N@H+](C)CCN1CCOCC1 ZINC000348055848 136031919 /nfs/dbraw/zinc/03/19/19/136031919.db2.gz ZYXLVHFXZKSECT-JTQLQIEISA-N 1 2 230.308 -0.188 20 0 BBADLO COC(=O)[C@H](C)N(C)CC[NH+]1CCOCC1 ZINC000348055848 136031918 /nfs/dbraw/zinc/03/19/18/136031918.db2.gz ZYXLVHFXZKSECT-JTQLQIEISA-N 1 2 230.308 -0.188 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+](C)CCN1CCOCC1 ZINC000348055849 536442187 /nfs/dbraw/zinc/44/21/87/536442187.db2.gz ZYXLVHFXZKSECT-SNVBAGLBSA-N 1 2 230.308 -0.188 20 0 BBADLO COC(=O)[C@@H](C)[N@H+](C)CCN1CCOCC1 ZINC000348055849 536442185 /nfs/dbraw/zinc/44/21/85/536442185.db2.gz ZYXLVHFXZKSECT-SNVBAGLBSA-N 1 2 230.308 -0.188 20 0 BBADLO COC(=O)[C@@H](C)N(C)CC[NH+]1CCOCC1 ZINC000348055849 536442183 /nfs/dbraw/zinc/44/21/83/536442183.db2.gz ZYXLVHFXZKSECT-SNVBAGLBSA-N 1 2 230.308 -0.188 20 0 BBADLO COC(=O)[C@@]1([NH2+]CCCNC(C)=O)CCOC1 ZINC000348074196 536579068 /nfs/dbraw/zinc/57/90/68/536579068.db2.gz OEJXMOOWCBFUDX-LLVKDONJSA-N 1 2 244.291 -0.566 20 0 BBADLO COC(=O)[C@]1([NH2+]CCCNC(C)=O)CCOC1 ZINC000348074197 136034174 /nfs/dbraw/zinc/03/41/74/136034174.db2.gz OEJXMOOWCBFUDX-NSHDSACASA-N 1 2 244.291 -0.566 20 0 BBADLO C[C@H]1NC(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000348074677 136034099 /nfs/dbraw/zinc/03/40/99/136034099.db2.gz URDSRLIGINENOT-SECBINFHSA-N 1 2 241.291 -0.351 20 0 BBADLO C[C@@H]1NC(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000348074771 136034041 /nfs/dbraw/zinc/03/40/41/136034041.db2.gz URDSRLIGINENOT-VIFPVBQESA-N 1 2 241.291 -0.351 20 0 BBADLO COC(=O)[C@@]1(NCc2c[nH+]cn2C)CCOC1 ZINC000348077587 136034333 /nfs/dbraw/zinc/03/43/33/136034333.db2.gz PGDXLRFDTACJMY-LLVKDONJSA-N 1 2 239.275 -0.158 20 0 BBADLO COC(=O)[C@]1(NCc2c[nH+]cn2C)CCOC1 ZINC000348077588 136034604 /nfs/dbraw/zinc/03/46/04/136034604.db2.gz PGDXLRFDTACJMY-NSHDSACASA-N 1 2 239.275 -0.158 20 0 BBADLO COC(=O)[C@@]1(NCc2[nH+]ccn2C)CCOC1 ZINC000348105840 136036492 /nfs/dbraw/zinc/03/64/92/136036492.db2.gz FOTYEOVTBJHTPK-LLVKDONJSA-N 1 2 239.275 -0.158 20 0 BBADLO COC(=O)[C@]1(NCc2[nH+]ccn2C)CCOC1 ZINC000348105841 136036750 /nfs/dbraw/zinc/03/67/50/136036750.db2.gz FOTYEOVTBJHTPK-NSHDSACASA-N 1 2 239.275 -0.158 20 0 BBADLO CC(=O)NCCC[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000348119025 534393395 /nfs/dbraw/zinc/39/33/95/534393395.db2.gz FNSKOQVEEYUEQR-BJOHPYRUSA-N 1 2 232.349 -0.035 20 0 BBADLO CC(=O)NCCC[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000348119025 534393388 /nfs/dbraw/zinc/39/33/88/534393388.db2.gz FNSKOQVEEYUEQR-BJOHPYRUSA-N 1 2 232.349 -0.035 20 0 BBADLO CC(=O)NCCC[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000348119026 534392750 /nfs/dbraw/zinc/39/27/50/534392750.db2.gz FNSKOQVEEYUEQR-PSLIRLAXSA-N 1 2 232.349 -0.035 20 0 BBADLO CC(=O)NCCC[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000348119026 534392746 /nfs/dbraw/zinc/39/27/46/534392746.db2.gz FNSKOQVEEYUEQR-PSLIRLAXSA-N 1 2 232.349 -0.035 20 0 BBADLO CC(=O)NCCC[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000348119027 534393862 /nfs/dbraw/zinc/39/38/62/534393862.db2.gz FNSKOQVEEYUEQR-RFAUZJTJSA-N 1 2 232.349 -0.035 20 0 BBADLO CC(=O)NCCC[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000348119027 534393854 /nfs/dbraw/zinc/39/38/54/534393854.db2.gz FNSKOQVEEYUEQR-RFAUZJTJSA-N 1 2 232.349 -0.035 20 0 BBADLO CC(=O)NCCC[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000348119028 534393661 /nfs/dbraw/zinc/39/36/61/534393661.db2.gz FNSKOQVEEYUEQR-VFZGTOFNSA-N 1 2 232.349 -0.035 20 0 BBADLO CC(=O)NCCC[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000348119028 534393656 /nfs/dbraw/zinc/39/36/56/534393656.db2.gz FNSKOQVEEYUEQR-VFZGTOFNSA-N 1 2 232.349 -0.035 20 0 BBADLO COC[C@H](O)C[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000348125492 136033151 /nfs/dbraw/zinc/03/31/51/136033151.db2.gz PBICDHGQGKAVQG-ATEUNZGCSA-N 1 2 221.322 -0.554 20 0 BBADLO COC[C@H](O)C[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000348125492 136033150 /nfs/dbraw/zinc/03/31/50/136033150.db2.gz PBICDHGQGKAVQG-ATEUNZGCSA-N 1 2 221.322 -0.554 20 0 BBADLO COC[C@H](O)C[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000348125494 136032985 /nfs/dbraw/zinc/03/29/85/136032985.db2.gz PBICDHGQGKAVQG-NUPCCRGMSA-N 1 2 221.322 -0.554 20 0 BBADLO COC[C@H](O)C[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000348125494 136032984 /nfs/dbraw/zinc/03/29/84/136032984.db2.gz PBICDHGQGKAVQG-NUPCCRGMSA-N 1 2 221.322 -0.554 20 0 BBADLO COC[C@H](O)C[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000348125495 136033373 /nfs/dbraw/zinc/03/33/73/136033373.db2.gz PBICDHGQGKAVQG-QIBSRJKCSA-N 1 2 221.322 -0.554 20 0 BBADLO COC[C@H](O)C[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000348125495 136033372 /nfs/dbraw/zinc/03/33/72/136033372.db2.gz PBICDHGQGKAVQG-QIBSRJKCSA-N 1 2 221.322 -0.554 20 0 BBADLO COC[C@H](O)C[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000348125497 136033184 /nfs/dbraw/zinc/03/31/84/136033184.db2.gz PBICDHGQGKAVQG-RFXMVYNHSA-N 1 2 221.322 -0.554 20 0 BBADLO COC[C@H](O)C[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000348125497 136033183 /nfs/dbraw/zinc/03/31/83/136033183.db2.gz PBICDHGQGKAVQG-RFXMVYNHSA-N 1 2 221.322 -0.554 20 0 BBADLO COCC[N@H+](CC(=O)OC)C[C@@H](O)COC ZINC000348127486 136033345 /nfs/dbraw/zinc/03/33/45/136033345.db2.gz SIBLZZHUFOJGAV-SECBINFHSA-N 1 2 235.280 -0.885 20 0 BBADLO COCC[N@@H+](CC(=O)OC)C[C@@H](O)COC ZINC000348127486 136033344 /nfs/dbraw/zinc/03/33/44/136033344.db2.gz SIBLZZHUFOJGAV-SECBINFHSA-N 1 2 235.280 -0.885 20 0 BBADLO COCC[N@H+](CC(=O)OC)C[C@H](O)COC ZINC000348127487 136033383 /nfs/dbraw/zinc/03/33/83/136033383.db2.gz SIBLZZHUFOJGAV-VIFPVBQESA-N 1 2 235.280 -0.885 20 0 BBADLO COCC[N@@H+](CC(=O)OC)C[C@H](O)COC ZINC000348127487 136033382 /nfs/dbraw/zinc/03/33/82/136033382.db2.gz SIBLZZHUFOJGAV-VIFPVBQESA-N 1 2 235.280 -0.885 20 0 BBADLO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000348151013 136039674 /nfs/dbraw/zinc/03/96/74/136039674.db2.gz MHJIWIGKHTWAJK-BQBZGAKWSA-N 1 2 239.279 -0.485 20 0 BBADLO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000348151014 136039664 /nfs/dbraw/zinc/03/96/64/136039664.db2.gz MHJIWIGKHTWAJK-NKWVEPMBSA-N 1 2 239.279 -0.485 20 0 BBADLO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000348151015 136039878 /nfs/dbraw/zinc/03/98/78/136039878.db2.gz MHJIWIGKHTWAJK-RNFRBKRXSA-N 1 2 239.279 -0.485 20 0 BBADLO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000348151016 136040040 /nfs/dbraw/zinc/04/00/40/136040040.db2.gz MHJIWIGKHTWAJK-RQJHMYQMSA-N 1 2 239.279 -0.485 20 0 BBADLO COC[C@H](O)C[N@@H+](CC(=O)OC)C1CC1 ZINC000348152525 136040199 /nfs/dbraw/zinc/04/01/99/136040199.db2.gz HWWAFEHJXRWGBY-SECBINFHSA-N 1 2 217.265 -0.369 20 0 BBADLO COC[C@H](O)C[N@H+](CC(=O)OC)C1CC1 ZINC000348152525 136040198 /nfs/dbraw/zinc/04/01/98/136040198.db2.gz HWWAFEHJXRWGBY-SECBINFHSA-N 1 2 217.265 -0.369 20 0 BBADLO COC[C@@H](O)C[N@@H+](CC(=O)OC)C1CC1 ZINC000348152553 136040379 /nfs/dbraw/zinc/04/03/79/136040379.db2.gz HWWAFEHJXRWGBY-VIFPVBQESA-N 1 2 217.265 -0.369 20 0 BBADLO COC[C@@H](O)C[N@H+](CC(=O)OC)C1CC1 ZINC000348152553 136040378 /nfs/dbraw/zinc/04/03/78/136040378.db2.gz HWWAFEHJXRWGBY-VIFPVBQESA-N 1 2 217.265 -0.369 20 0 BBADLO CC(=O)NCCC[N@H+](C)Cc1nnnn1C ZINC000348167021 534381940 /nfs/dbraw/zinc/38/19/40/534381940.db2.gz MDSINSIJSPBKHG-UHFFFAOYSA-N 1 2 226.284 -0.832 20 0 BBADLO CC(=O)NCCC[N@@H+](C)Cc1nnnn1C ZINC000348167021 534381930 /nfs/dbraw/zinc/38/19/30/534381930.db2.gz MDSINSIJSPBKHG-UHFFFAOYSA-N 1 2 226.284 -0.832 20 0 BBADLO COC[C@@H](O)C[N@H+]1CC[S@@](=O)CC1(C)C ZINC000348185206 136044474 /nfs/dbraw/zinc/04/44/74/136044474.db2.gz AVOMFHVTCDUEKM-BJOHPYRUSA-N 1 2 235.349 -0.163 20 0 BBADLO COC[C@@H](O)C[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000348185206 136044473 /nfs/dbraw/zinc/04/44/73/136044473.db2.gz AVOMFHVTCDUEKM-BJOHPYRUSA-N 1 2 235.349 -0.163 20 0 BBADLO COC[C@H](O)C[N@H+]1CC[S@](=O)CC1(C)C ZINC000348185207 136044500 /nfs/dbraw/zinc/04/45/00/136044500.db2.gz AVOMFHVTCDUEKM-PSLIRLAXSA-N 1 2 235.349 -0.163 20 0 BBADLO COC[C@H](O)C[N@@H+]1CC[S@](=O)CC1(C)C ZINC000348185207 136044499 /nfs/dbraw/zinc/04/44/99/136044499.db2.gz AVOMFHVTCDUEKM-PSLIRLAXSA-N 1 2 235.349 -0.163 20 0 BBADLO COC[C@H](O)C[N@H+]1CC[S@@](=O)CC1(C)C ZINC000348185208 136044338 /nfs/dbraw/zinc/04/43/38/136044338.db2.gz AVOMFHVTCDUEKM-RFAUZJTJSA-N 1 2 235.349 -0.163 20 0 BBADLO COC[C@H](O)C[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000348185208 136044337 /nfs/dbraw/zinc/04/43/37/136044337.db2.gz AVOMFHVTCDUEKM-RFAUZJTJSA-N 1 2 235.349 -0.163 20 0 BBADLO COC[C@@H](O)C[N@H+]1CC[S@](=O)CC1(C)C ZINC000348185209 136044601 /nfs/dbraw/zinc/04/46/01/136044601.db2.gz AVOMFHVTCDUEKM-VFZGTOFNSA-N 1 2 235.349 -0.163 20 0 BBADLO COC[C@@H](O)C[N@@H+]1CC[S@](=O)CC1(C)C ZINC000348185209 136044600 /nfs/dbraw/zinc/04/46/00/136044600.db2.gz AVOMFHVTCDUEKM-VFZGTOFNSA-N 1 2 235.349 -0.163 20 0 BBADLO CC1(C)C[S@@](=O)CC[N@H+]1CCOCCO ZINC000348189559 534940101 /nfs/dbraw/zinc/94/01/01/534940101.db2.gz ODJMWETUKKXTQE-HNNXBMFYSA-N 1 2 235.349 -0.162 20 0 BBADLO CC1(C)C[S@@](=O)CC[N@@H+]1CCOCCO ZINC000348189559 534940090 /nfs/dbraw/zinc/94/00/90/534940090.db2.gz ODJMWETUKKXTQE-HNNXBMFYSA-N 1 2 235.349 -0.162 20 0 BBADLO CC1(C)C[S@](=O)CC[N@H+]1CCOCCO ZINC000348189560 534942097 /nfs/dbraw/zinc/94/20/97/534942097.db2.gz ODJMWETUKKXTQE-OAHLLOKOSA-N 1 2 235.349 -0.162 20 0 BBADLO CC1(C)C[S@](=O)CC[N@@H+]1CCOCCO ZINC000348189560 534942093 /nfs/dbraw/zinc/94/20/93/534942093.db2.gz ODJMWETUKKXTQE-OAHLLOKOSA-N 1 2 235.349 -0.162 20 0 BBADLO CNC(=O)CC(=O)NCc1c[nH+]ccc1OC ZINC000348241989 136056458 /nfs/dbraw/zinc/05/64/58/136056458.db2.gz QLYBZYRTJFKWKG-UHFFFAOYSA-N 1 2 237.259 -0.158 20 0 BBADLO COc1cc[nH+]cc1CNC(=O)CNC(C)=O ZINC000348242644 136056057 /nfs/dbraw/zinc/05/60/57/136056057.db2.gz RILHPGGNDZLEEF-UHFFFAOYSA-N 1 2 237.259 -0.158 20 0 BBADLO COc1cc[nH+]cc1CNC(=O)[C@H]1CCC(=O)N1 ZINC000348259106 136057824 /nfs/dbraw/zinc/05/78/24/136057824.db2.gz ZGKQJJSNDJNKBH-SECBINFHSA-N 1 2 249.270 -0.015 20 0 BBADLO COc1cc[nH+]cc1CNC(=O)[C@@H]1CCC(=O)N1 ZINC000348259107 136057628 /nfs/dbraw/zinc/05/76/28/136057628.db2.gz ZGKQJJSNDJNKBH-VIFPVBQESA-N 1 2 249.270 -0.015 20 0 BBADLO CC(C)[N@@H+](C)CC(=O)NC1(c2nn[nH]n2)CC1 ZINC000348297018 534997172 /nfs/dbraw/zinc/99/71/72/534997172.db2.gz IYAOJTARBZOJHH-UHFFFAOYSA-N 1 2 238.295 -0.355 20 0 BBADLO CC(C)[N@H+](C)CC(=O)NC1(c2nn[nH]n2)CC1 ZINC000348297018 534997168 /nfs/dbraw/zinc/99/71/68/534997168.db2.gz IYAOJTARBZOJHH-UHFFFAOYSA-N 1 2 238.295 -0.355 20 0 BBADLO COCCS(=O)(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000348300852 536750993 /nfs/dbraw/zinc/75/09/93/536750993.db2.gz HWYOOHPPGLXOMA-SECBINFHSA-N 1 2 236.337 -0.402 20 0 BBADLO COCCS(=O)(=O)N1CC[N@H+](C)C[C@H]1C ZINC000348300852 536750987 /nfs/dbraw/zinc/75/09/87/536750987.db2.gz HWYOOHPPGLXOMA-SECBINFHSA-N 1 2 236.337 -0.402 20 0 BBADLO COCCS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000348300853 536750628 /nfs/dbraw/zinc/75/06/28/536750628.db2.gz HWYOOHPPGLXOMA-VIFPVBQESA-N 1 2 236.337 -0.402 20 0 BBADLO COCCS(=O)(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000348300853 536750624 /nfs/dbraw/zinc/75/06/24/536750624.db2.gz HWYOOHPPGLXOMA-VIFPVBQESA-N 1 2 236.337 -0.402 20 0 BBADLO C[C@@H]1C[N@H+]([C@@H]2CCOC2)CCN1S(C)(=O)=O ZINC000348302407 136064667 /nfs/dbraw/zinc/06/46/67/136064667.db2.gz NFQBQZYPLSRPNK-NXEZZACHSA-N 1 2 248.348 -0.259 20 0 BBADLO C[C@@H]1C[N@@H+]([C@@H]2CCOC2)CCN1S(C)(=O)=O ZINC000348302407 136064666 /nfs/dbraw/zinc/06/46/66/136064666.db2.gz NFQBQZYPLSRPNK-NXEZZACHSA-N 1 2 248.348 -0.259 20 0 BBADLO C[C@@H]1C[N@H+]([C@H]2CCOC2)CCN1S(C)(=O)=O ZINC000348302410 136064837 /nfs/dbraw/zinc/06/48/37/136064837.db2.gz NFQBQZYPLSRPNK-ZJUUUORDSA-N 1 2 248.348 -0.259 20 0 BBADLO C[C@@H]1C[N@@H+]([C@H]2CCOC2)CCN1S(C)(=O)=O ZINC000348302410 136064836 /nfs/dbraw/zinc/06/48/36/136064836.db2.gz NFQBQZYPLSRPNK-ZJUUUORDSA-N 1 2 248.348 -0.259 20 0 BBADLO CNC(=O)C1C[NH+](Cc2cc(C)n(C)n2)C1 ZINC000348304070 136065132 /nfs/dbraw/zinc/06/51/32/136065132.db2.gz SDIGUEKMJXTQKJ-UHFFFAOYSA-N 1 2 222.292 -0.094 20 0 BBADLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)N1CCCC1 ZINC000348305161 136065501 /nfs/dbraw/zinc/06/55/01/136065501.db2.gz NTUWVEJODUXUJT-JTQLQIEISA-N 1 2 247.364 -0.037 20 0 BBADLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)N1CCCC1 ZINC000348305161 136065500 /nfs/dbraw/zinc/06/55/00/136065500.db2.gz NTUWVEJODUXUJT-JTQLQIEISA-N 1 2 247.364 -0.037 20 0 BBADLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)N1CCCC1 ZINC000348305162 136065386 /nfs/dbraw/zinc/06/53/86/136065386.db2.gz NTUWVEJODUXUJT-SNVBAGLBSA-N 1 2 247.364 -0.037 20 0 BBADLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)N1CCCC1 ZINC000348305162 136065385 /nfs/dbraw/zinc/06/53/85/136065385.db2.gz NTUWVEJODUXUJT-SNVBAGLBSA-N 1 2 247.364 -0.037 20 0 BBADLO CNC(=O)C1C[NH+](Cc2cnc(C)nc2)C1 ZINC000348319898 136069015 /nfs/dbraw/zinc/06/90/15/136069015.db2.gz PEIUQEBTOITIPC-UHFFFAOYSA-N 1 2 220.276 -0.037 20 0 BBADLO COCCN1CC[N@H+]([C@H]2CCOC2)CC1=O ZINC000348323851 136070200 /nfs/dbraw/zinc/07/02/00/136070200.db2.gz XHKPKUJKWUBLOS-JTQLQIEISA-N 1 2 228.292 -0.434 20 0 BBADLO COCCN1CC[N@@H+]([C@H]2CCOC2)CC1=O ZINC000348323851 136070199 /nfs/dbraw/zinc/07/01/99/136070199.db2.gz XHKPKUJKWUBLOS-JTQLQIEISA-N 1 2 228.292 -0.434 20 0 BBADLO COCCN1CC[N@H+]([C@@H]2CCOC2)CC1=O ZINC000348323858 136070219 /nfs/dbraw/zinc/07/02/19/136070219.db2.gz XHKPKUJKWUBLOS-SNVBAGLBSA-N 1 2 228.292 -0.434 20 0 BBADLO COCCN1CC[N@@H+]([C@@H]2CCOC2)CC1=O ZINC000348323858 136070218 /nfs/dbraw/zinc/07/02/18/136070218.db2.gz XHKPKUJKWUBLOS-SNVBAGLBSA-N 1 2 228.292 -0.434 20 0 BBADLO CC[NH+](CC)CC(=O)N1CCS(=O)(=O)CC1 ZINC000348333523 535492222 /nfs/dbraw/zinc/49/22/22/535492222.db2.gz CBRAIJJPZVVWCV-UHFFFAOYSA-N 1 2 248.348 -0.415 20 0 BBADLO CN1CC(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000348361549 363106362 /nfs/dbraw/zinc/10/63/62/363106362.db2.gz FDGKPIUIQPHRDH-UHFFFAOYSA-N 1 2 241.291 -0.397 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[N@@H+](C)Cc1ccnn1C ZINC000348368892 136073273 /nfs/dbraw/zinc/07/32/73/136073273.db2.gz KPRYROMRARNRSW-SSDOTTSWSA-N 1 2 239.279 -0.565 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[N@H+](C)Cc1ccnn1C ZINC000348368892 136073272 /nfs/dbraw/zinc/07/32/72/136073272.db2.gz KPRYROMRARNRSW-SSDOTTSWSA-N 1 2 239.279 -0.565 20 0 BBADLO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)Cc1ccnn1C ZINC000348368893 136073429 /nfs/dbraw/zinc/07/34/29/136073429.db2.gz KPRYROMRARNRSW-ZETCQYMHSA-N 1 2 239.279 -0.565 20 0 BBADLO C[C@@H](C(=O)NC(N)=O)[N@H+](C)Cc1ccnn1C ZINC000348368893 136073428 /nfs/dbraw/zinc/07/34/28/136073428.db2.gz KPRYROMRARNRSW-ZETCQYMHSA-N 1 2 239.279 -0.565 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+](C)Cc1ccnn1C ZINC000348379182 536320964 /nfs/dbraw/zinc/32/09/64/536320964.db2.gz UIJXRKDWABHBHQ-UHFFFAOYSA-N 1 2 239.279 -0.693 20 0 BBADLO CNC(=O)NC(=O)C[N@H+](C)Cc1ccnn1C ZINC000348379182 536320962 /nfs/dbraw/zinc/32/09/62/536320962.db2.gz UIJXRKDWABHBHQ-UHFFFAOYSA-N 1 2 239.279 -0.693 20 0 BBADLO COc1cc[nH+]cc1CNC(=O)Cn1cnnn1 ZINC000348383611 136074053 /nfs/dbraw/zinc/07/40/53/136074053.db2.gz DQJBSQBBJVVVEA-UHFFFAOYSA-N 1 2 248.246 -0.607 20 0 BBADLO C[C@@H]1C[C@H]1NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000348392787 136076347 /nfs/dbraw/zinc/07/63/47/136076347.db2.gz ITZAWINOFVPARW-GMTAPVOTSA-N 1 2 240.351 -0.060 20 0 BBADLO C[C@@H]1C[C@H]1NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000348392787 136076346 /nfs/dbraw/zinc/07/63/46/136076346.db2.gz ITZAWINOFVPARW-GMTAPVOTSA-N 1 2 240.351 -0.060 20 0 BBADLO C[C@@H]1C[C@H]1NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000348392790 136076357 /nfs/dbraw/zinc/07/63/57/136076357.db2.gz ITZAWINOFVPARW-OUAUKWLOSA-N 1 2 240.351 -0.060 20 0 BBADLO C[C@@H]1C[C@H]1NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000348392790 136076356 /nfs/dbraw/zinc/07/63/56/136076356.db2.gz ITZAWINOFVPARW-OUAUKWLOSA-N 1 2 240.351 -0.060 20 0 BBADLO Cn1nccc1C[N@@H+](C)CC(=O)NC(N)=O ZINC000348401305 136076590 /nfs/dbraw/zinc/07/65/90/136076590.db2.gz KGAHVVZOMRQBNW-UHFFFAOYSA-N 1 2 225.252 -0.953 20 0 BBADLO Cn1nccc1C[N@H+](C)CC(=O)NC(N)=O ZINC000348401305 136076589 /nfs/dbraw/zinc/07/65/89/136076589.db2.gz KGAHVVZOMRQBNW-UHFFFAOYSA-N 1 2 225.252 -0.953 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)C1(NC(N)=O)CC1 ZINC000348404621 136077239 /nfs/dbraw/zinc/07/72/39/136077239.db2.gz ZOMKTSLXMRDVOW-UHFFFAOYSA-N 1 2 234.259 -0.049 20 0 BBADLO O=C(COC(F)F)NCC[NH+]1CCOCC1 ZINC000348509684 136083666 /nfs/dbraw/zinc/08/36/66/136083666.db2.gz RXEZHCMUBHOTPU-UHFFFAOYSA-N 1 2 238.234 -0.326 20 0 BBADLO CCCC[N@@H+](CCO)Cc1nnnn1C ZINC000348523547 386747895 /nfs/dbraw/zinc/74/78/95/386747895.db2.gz FBYZFEYZBDAJEX-UHFFFAOYSA-N 1 2 213.285 -0.196 20 0 BBADLO CCCC[N@H+](CCO)Cc1nnnn1C ZINC000348523547 386747891 /nfs/dbraw/zinc/74/78/91/386747891.db2.gz FBYZFEYZBDAJEX-UHFFFAOYSA-N 1 2 213.285 -0.196 20 0 BBADLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCC2CC2)C1 ZINC000348530013 386750168 /nfs/dbraw/zinc/75/01/68/386750168.db2.gz XMSMNPCANISKKM-LLVKDONJSA-N 1 2 240.351 -0.059 20 0 BBADLO CN1CC[N@H+](C)[C@H](CNC(=O)NCC2CC2)C1 ZINC000348530013 386750161 /nfs/dbraw/zinc/75/01/61/386750161.db2.gz XMSMNPCANISKKM-LLVKDONJSA-N 1 2 240.351 -0.059 20 0 BBADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCC2CC2)C1 ZINC000348530014 386751433 /nfs/dbraw/zinc/75/14/33/386751433.db2.gz XMSMNPCANISKKM-NSHDSACASA-N 1 2 240.351 -0.059 20 0 BBADLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCC2CC2)C1 ZINC000348530014 386751424 /nfs/dbraw/zinc/75/14/24/386751424.db2.gz XMSMNPCANISKKM-NSHDSACASA-N 1 2 240.351 -0.059 20 0 BBADLO Cn1cc(C(=O)Nc2cc[nH+]cc2O)nn1 ZINC000348531903 386752733 /nfs/dbraw/zinc/75/27/33/386752733.db2.gz NWGBMTAXVSWOQZ-UHFFFAOYSA-N 1 2 219.204 -0.410 20 0 BBADLO Cc1c[nH+]c(CN(C)[C@@H]2COC[C@H]2O)n1C ZINC000348641951 136114604 /nfs/dbraw/zinc/11/46/04/136114604.db2.gz JXTXIEOSEBQLMF-NXEZZACHSA-N 1 2 225.292 -0.080 20 0 BBADLO Cc1c[nH+]c(CN(C)[C@H]2COC[C@@H]2O)n1C ZINC000348641952 136114865 /nfs/dbraw/zinc/11/48/65/136114865.db2.gz JXTXIEOSEBQLMF-UWVGGRQHSA-N 1 2 225.292 -0.080 20 0 BBADLO Cc1c[nH+]c(CN(C)[C@H]2COC[C@H]2O)n1C ZINC000348641953 136114904 /nfs/dbraw/zinc/11/49/04/136114904.db2.gz JXTXIEOSEBQLMF-VHSXEESVSA-N 1 2 225.292 -0.080 20 0 BBADLO Cc1c[nH+]c(CN(C)[C@@H]2COC[C@@H]2O)n1C ZINC000348641954 136114956 /nfs/dbraw/zinc/11/49/56/136114956.db2.gz JXTXIEOSEBQLMF-ZJUUUORDSA-N 1 2 225.292 -0.080 20 0 BBADLO Cc1cnn(C)c1C[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000348652270 136115142 /nfs/dbraw/zinc/11/51/42/136115142.db2.gz VCAVGOVYIMGSQN-MNOVXSKESA-N 1 2 225.292 -0.080 20 0 BBADLO Cc1cnn(C)c1C[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000348652270 136115141 /nfs/dbraw/zinc/11/51/41/136115141.db2.gz VCAVGOVYIMGSQN-MNOVXSKESA-N 1 2 225.292 -0.080 20 0 BBADLO Cc1cnn(C)c1C[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000348652271 136115185 /nfs/dbraw/zinc/11/51/85/136115185.db2.gz VCAVGOVYIMGSQN-QWRGUYRKSA-N 1 2 225.292 -0.080 20 0 BBADLO Cc1cnn(C)c1C[N@H+](C)[C@H]1COC[C@@H]1O ZINC000348652271 136115184 /nfs/dbraw/zinc/11/51/84/136115184.db2.gz VCAVGOVYIMGSQN-QWRGUYRKSA-N 1 2 225.292 -0.080 20 0 BBADLO Cc1cnn(C)c1C[N@@H+](C)[C@H]1COC[C@H]1O ZINC000348652272 136115059 /nfs/dbraw/zinc/11/50/59/136115059.db2.gz VCAVGOVYIMGSQN-WDEREUQCSA-N 1 2 225.292 -0.080 20 0 BBADLO Cc1cnn(C)c1C[N@H+](C)[C@H]1COC[C@H]1O ZINC000348652272 136115058 /nfs/dbraw/zinc/11/50/58/136115058.db2.gz VCAVGOVYIMGSQN-WDEREUQCSA-N 1 2 225.292 -0.080 20 0 BBADLO Cc1[nH+]ccn1CCC[N@@H+](CC[NH3+])CCO ZINC000348755652 136297521 /nfs/dbraw/zinc/29/75/21/136297521.db2.gz IGROVPYHCCMPGI-UHFFFAOYSA-N 1 2 226.324 -0.165 20 0 BBADLO Cc1[nH+]ccn1CCC[N@H+](CC[NH3+])CCO ZINC000348755652 136297520 /nfs/dbraw/zinc/29/75/20/136297520.db2.gz IGROVPYHCCMPGI-UHFFFAOYSA-N 1 2 226.324 -0.165 20 0 BBADLO CC[C@H](C(=O)OC)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000348761712 536102992 /nfs/dbraw/zinc/10/29/92/536102992.db2.gz JPMLITVNYAEEMY-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[C@H](C(=O)OC)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000348761712 536102983 /nfs/dbraw/zinc/10/29/83/536102983.db2.gz JPMLITVNYAEEMY-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[C@@H](C(=O)OC)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000348761714 535448406 /nfs/dbraw/zinc/44/84/06/535448406.db2.gz JPMLITVNYAEEMY-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO CC[C@@H](C(=O)OC)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000348761714 535448402 /nfs/dbraw/zinc/44/84/02/535448402.db2.gz JPMLITVNYAEEMY-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO CC[C@@H](C(=O)OC)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000348761716 535448496 /nfs/dbraw/zinc/44/84/96/535448496.db2.gz JPMLITVNYAEEMY-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[C@@H](C(=O)OC)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000348761716 535448493 /nfs/dbraw/zinc/44/84/93/535448493.db2.gz JPMLITVNYAEEMY-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[C@H](C(=O)OC)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000348761718 536104073 /nfs/dbraw/zinc/10/40/73/536104073.db2.gz JPMLITVNYAEEMY-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[C@H](C(=O)OC)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000348761718 536104069 /nfs/dbraw/zinc/10/40/69/536104069.db2.gz JPMLITVNYAEEMY-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO CCOC(=O)[C@@H](C)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000348762004 535429105 /nfs/dbraw/zinc/42/91/05/535429105.db2.gz ASJNNGZVTZAJHZ-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO CCOC(=O)[C@@H](C)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000348762004 535429097 /nfs/dbraw/zinc/42/90/97/535429097.db2.gz ASJNNGZVTZAJHZ-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO CCOC(=O)[C@@H](C)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000348762005 535428798 /nfs/dbraw/zinc/42/87/98/535428798.db2.gz ASJNNGZVTZAJHZ-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO CCOC(=O)[C@@H](C)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000348762005 535428795 /nfs/dbraw/zinc/42/87/95/535428795.db2.gz ASJNNGZVTZAJHZ-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000348762006 535625280 /nfs/dbraw/zinc/62/52/80/535625280.db2.gz ASJNNGZVTZAJHZ-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000348762006 535625277 /nfs/dbraw/zinc/62/52/77/535625277.db2.gz ASJNNGZVTZAJHZ-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000348762007 535624594 /nfs/dbraw/zinc/62/45/94/535624594.db2.gz ASJNNGZVTZAJHZ-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000348762007 535624588 /nfs/dbraw/zinc/62/45/88/535624588.db2.gz ASJNNGZVTZAJHZ-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO Cn1ccnc1C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000348762161 136238339 /nfs/dbraw/zinc/23/83/39/136238339.db2.gz JUMJIWLKDXTJHB-LLVKDONJSA-N 1 2 236.319 -0.064 20 0 BBADLO Cn1ccnc1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000348762161 136238338 /nfs/dbraw/zinc/23/83/38/136238338.db2.gz JUMJIWLKDXTJHB-LLVKDONJSA-N 1 2 236.319 -0.064 20 0 BBADLO Cn1ccnc1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000348762162 136238479 /nfs/dbraw/zinc/23/84/79/136238479.db2.gz JUMJIWLKDXTJHB-NSHDSACASA-N 1 2 236.319 -0.064 20 0 BBADLO Cn1ccnc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000348762162 136238478 /nfs/dbraw/zinc/23/84/78/136238478.db2.gz JUMJIWLKDXTJHB-NSHDSACASA-N 1 2 236.319 -0.064 20 0 BBADLO COC(=O)[C@@H](C)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000348777676 136238690 /nfs/dbraw/zinc/23/86/90/136238690.db2.gz VVCQJIWLRMVFMN-NXEZZACHSA-N 1 2 228.292 -0.436 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000348777676 136238689 /nfs/dbraw/zinc/23/86/89/136238689.db2.gz VVCQJIWLRMVFMN-NXEZZACHSA-N 1 2 228.292 -0.436 20 0 BBADLO COC(=O)[C@H](C)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000348777677 136238847 /nfs/dbraw/zinc/23/88/47/136238847.db2.gz VVCQJIWLRMVFMN-UWVGGRQHSA-N 1 2 228.292 -0.436 20 0 BBADLO COC(=O)[C@H](C)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000348777677 136238846 /nfs/dbraw/zinc/23/88/46/136238846.db2.gz VVCQJIWLRMVFMN-UWVGGRQHSA-N 1 2 228.292 -0.436 20 0 BBADLO COC(=O)[C@H](C)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000348777678 136238581 /nfs/dbraw/zinc/23/85/81/136238581.db2.gz VVCQJIWLRMVFMN-VHSXEESVSA-N 1 2 228.292 -0.436 20 0 BBADLO COC(=O)[C@H](C)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000348777678 136238580 /nfs/dbraw/zinc/23/85/80/136238580.db2.gz VVCQJIWLRMVFMN-VHSXEESVSA-N 1 2 228.292 -0.436 20 0 BBADLO COC(=O)[C@@H](C)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000348777679 136238841 /nfs/dbraw/zinc/23/88/41/136238841.db2.gz VVCQJIWLRMVFMN-ZJUUUORDSA-N 1 2 228.292 -0.436 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000348777679 136238840 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Cc1cc(NC(=O)[C@@H]2CC[C@H](C(N)=O)O2)cc[nH+]1 ZINC000349703461 355415148 /nfs/dbraw/zinc/41/51/48/355415148.db2.gz PINQZGPYZJUEFA-ZJUUUORDSA-N 1 2 249.270 -0.217 20 0 BBADLO Cc1ncc(CN2CC[NH+](CC(N)=O)CC2)cn1 ZINC000349748525 355422231 /nfs/dbraw/zinc/42/22/31/355422231.db2.gz NQVNOCLYBWQEPR-UHFFFAOYSA-N 1 2 249.318 -0.612 20 0 BBADLO COCCS(=O)(=O)NCc1c[nH+]cn1C ZINC000349773864 537987448 /nfs/dbraw/zinc/98/74/48/537987448.db2.gz GSZPVYCWZILXRI-UHFFFAOYSA-N 1 2 233.293 -0.514 20 0 BBADLO COC[C@@H](C)S(=O)(=O)NCc1c[nH+]cn1C ZINC000349777797 537987594 /nfs/dbraw/zinc/98/75/94/537987594.db2.gz QIYDOCDUIMAUIM-MRVPVSSYSA-N 1 2 247.320 -0.126 20 0 BBADLO COC[C@H](C)S(=O)(=O)NCc1c[nH+]cn1C ZINC000349777798 537988135 /nfs/dbraw/zinc/98/81/35/537988135.db2.gz QIYDOCDUIMAUIM-QMMMGPOBSA-N 1 2 247.320 -0.126 20 0 BBADLO Cn1c[nH+]cc1CNS(=O)(=O)N1CCCC1 ZINC000349783597 537988261 /nfs/dbraw/zinc/98/82/61/537988261.db2.gz MLWIHSUDRQYKQF-UHFFFAOYSA-N 1 2 244.320 -0.150 20 0 BBADLO CCOCCS(=O)(=O)NCc1c[nH+]cn1C ZINC000349784742 537987313 /nfs/dbraw/zinc/98/73/13/537987313.db2.gz RMYAXWUMZJOLMJ-UHFFFAOYSA-N 1 2 247.320 -0.124 20 0 BBADLO Cn1c[nH+]cc1CNS(=O)(=O)c1c[nH]cn1 ZINC000349797188 541409104 /nfs/dbraw/zinc/40/91/04/541409104.db2.gz DTFOCVRIDZYYQX-UHFFFAOYSA-N 1 2 241.276 -0.378 20 0 BBADLO COCCCS(=O)(=O)NCc1c[nH+]cn1C ZINC000349798011 538026082 /nfs/dbraw/zinc/02/60/82/538026082.db2.gz HKNNXNZOQXXVFA-UHFFFAOYSA-N 1 2 247.320 -0.124 20 0 BBADLO CO[C@H](C)CS(=O)(=O)NCc1c[nH+]cn1C ZINC000349801897 538037972 /nfs/dbraw/zinc/03/79/72/538037972.db2.gz PIDUGILLHCEGOH-MRVPVSSYSA-N 1 2 247.320 -0.126 20 0 BBADLO CO[C@@H](C)CS(=O)(=O)NCc1c[nH+]cn1C ZINC000349801900 538037983 /nfs/dbraw/zinc/03/79/83/538037983.db2.gz PIDUGILLHCEGOH-QMMMGPOBSA-N 1 2 247.320 -0.126 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)N1CCOCC1 ZINC000349812447 636044671 /nfs/dbraw/zinc/04/46/71/636044671.db2.gz PNFKNTWHHBQEJQ-UHFFFAOYSA-N 1 2 224.264 -0.038 20 0 BBADLO Cc1nc(N)nc(C)c1C(=O)N1CC[NH+](C)CC1 ZINC000349821448 411949456 /nfs/dbraw/zinc/94/94/56/411949456.db2.gz RGXWOEFRZQMNCN-UHFFFAOYSA-N 1 2 249.318 0.063 20 0 BBADLO COCCn1cc(C[N@@H+](C)CC(N)=O)cn1 ZINC000349830223 355488136 /nfs/dbraw/zinc/48/81/36/355488136.db2.gz GAQWYFQJCDEMOQ-UHFFFAOYSA-N 1 2 226.280 -0.553 20 0 BBADLO COCCn1cc(C[N@H+](C)CC(N)=O)cn1 ZINC000349830223 355488133 /nfs/dbraw/zinc/48/81/33/355488133.db2.gz GAQWYFQJCDEMOQ-UHFFFAOYSA-N 1 2 226.280 -0.553 20 0 BBADLO C[N@@H+](CC(N)=O)Cc1cc(C(N)=O)cs1 ZINC000349853386 355485069 /nfs/dbraw/zinc/48/50/69/355485069.db2.gz JGASWNHNEHAZHX-UHFFFAOYSA-N 1 2 227.289 -0.236 20 0 BBADLO C[N@H+](CC(N)=O)Cc1cc(C(N)=O)cs1 ZINC000349853386 355485067 /nfs/dbraw/zinc/48/50/67/355485067.db2.gz JGASWNHNEHAZHX-UHFFFAOYSA-N 1 2 227.289 -0.236 20 0 BBADLO C[N@@H+](CC(N)=O)Cc1cnc2cnccn12 ZINC000349856669 355500204 /nfs/dbraw/zinc/50/02/04/355500204.db2.gz YPARMMUWOQZRTA-UHFFFAOYSA-N 1 2 219.248 -0.354 20 0 BBADLO C[N@H+](CC(N)=O)Cc1cnc2cnccn12 ZINC000349856669 355500202 /nfs/dbraw/zinc/50/02/02/355500202.db2.gz YPARMMUWOQZRTA-UHFFFAOYSA-N 1 2 219.248 -0.354 20 0 BBADLO CC(C)[C@@H](O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000349888853 355519459 /nfs/dbraw/zinc/51/94/59/355519459.db2.gz HZZCARPMNXBHAA-GHMZBOCLSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@H](O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000349888854 355519011 /nfs/dbraw/zinc/51/90/11/355519011.db2.gz HZZCARPMNXBHAA-MNOVXSKESA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@H](O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000349888855 355519500 /nfs/dbraw/zinc/51/95/00/355519500.db2.gz HZZCARPMNXBHAA-QWRGUYRKSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@@H](O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000349888856 355519431 /nfs/dbraw/zinc/51/94/31/355519431.db2.gz HZZCARPMNXBHAA-WDEREUQCSA-N 1 2 244.335 -0.160 20 0 BBADLO C[C@H](c1nnnn1C)[N@@H+](C)CCCCO ZINC000349915719 355525596 /nfs/dbraw/zinc/52/55/96/355525596.db2.gz VLMFISLBLDTCIW-MRVPVSSYSA-N 1 2 213.285 -0.025 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+](C)CCCCO ZINC000349915719 355525593 /nfs/dbraw/zinc/52/55/93/355525593.db2.gz VLMFISLBLDTCIW-MRVPVSSYSA-N 1 2 213.285 -0.025 20 0 BBADLO C[C@@H](c1nnnn1C)[N@@H+](C)CCCCO ZINC000349915720 355525518 /nfs/dbraw/zinc/52/55/18/355525518.db2.gz VLMFISLBLDTCIW-QMMMGPOBSA-N 1 2 213.285 -0.025 20 0 BBADLO C[C@@H](c1nnnn1C)[N@H+](C)CCCCO ZINC000349915720 355525515 /nfs/dbraw/zinc/52/55/15/355525515.db2.gz VLMFISLBLDTCIW-QMMMGPOBSA-N 1 2 213.285 -0.025 20 0 BBADLO C[N@@H+](CCCCO)Cc1n[nH]c(=O)[nH]1 ZINC000349921288 355527942 /nfs/dbraw/zinc/52/79/42/355527942.db2.gz MGTFYOUVIKHVOF-UHFFFAOYSA-N 1 2 200.242 -0.285 20 0 BBADLO C[N@H+](CCCCO)Cc1n[nH]c(=O)[nH]1 ZINC000349921288 355527938 /nfs/dbraw/zinc/52/79/38/355527938.db2.gz MGTFYOUVIKHVOF-UHFFFAOYSA-N 1 2 200.242 -0.285 20 0 BBADLO Cn1ccc(=NC(=O)NCc2c[nH+]cn2C)[nH]1 ZINC000350038345 538625974 /nfs/dbraw/zinc/62/59/74/538625974.db2.gz OOAXMQYXSCDBRA-UHFFFAOYSA-N 1 2 234.263 -0.103 20 0 BBADLO O=C(Cn1c[nH+]c2c1CCCC2)Nc1nn[nH]n1 ZINC000350100146 355598826 /nfs/dbraw/zinc/59/88/26/355598826.db2.gz NONQGUKGNXCGJI-UHFFFAOYSA-N 1 2 247.262 -0.086 20 0 BBADLO Cn1nnnc1C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000350154967 355616140 /nfs/dbraw/zinc/61/61/40/355616140.db2.gz NAZKFXUXFGHDCJ-MRVPVSSYSA-N 1 2 238.295 -0.703 20 0 BBADLO Cn1nnnc1C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000350154967 355616136 /nfs/dbraw/zinc/61/61/36/355616136.db2.gz NAZKFXUXFGHDCJ-MRVPVSSYSA-N 1 2 238.295 -0.703 20 0 BBADLO Cn1nnnc1C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000350154968 355616533 /nfs/dbraw/zinc/61/65/33/355616533.db2.gz NAZKFXUXFGHDCJ-QMMMGPOBSA-N 1 2 238.295 -0.703 20 0 BBADLO Cn1nnnc1C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000350154968 355616528 /nfs/dbraw/zinc/61/65/28/355616528.db2.gz NAZKFXUXFGHDCJ-QMMMGPOBSA-N 1 2 238.295 -0.703 20 0 BBADLO CCn1ccnc1C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000350224669 355651990 /nfs/dbraw/zinc/65/19/90/355651990.db2.gz NXCKOHKFCQIWCJ-VHSXEESVSA-N 1 2 225.292 -0.170 20 0 BBADLO CCn1ccnc1C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000350224669 355651986 /nfs/dbraw/zinc/65/19/86/355651986.db2.gz NXCKOHKFCQIWCJ-VHSXEESVSA-N 1 2 225.292 -0.170 20 0 BBADLO Cc1[nH]ncc1C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000350324737 355678917 /nfs/dbraw/zinc/67/89/17/355678917.db2.gz XNAKJHACOZCPRQ-NXEZZACHSA-N 1 2 211.265 -0.354 20 0 BBADLO Cc1[nH]ncc1C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000350324737 355678914 /nfs/dbraw/zinc/67/89/14/355678914.db2.gz XNAKJHACOZCPRQ-NXEZZACHSA-N 1 2 211.265 -0.354 20 0 BBADLO Cc1[nH]ncc1C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000350324739 355678685 /nfs/dbraw/zinc/67/86/85/355678685.db2.gz XNAKJHACOZCPRQ-UWVGGRQHSA-N 1 2 211.265 -0.354 20 0 BBADLO Cc1[nH]ncc1C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000350324739 355678683 /nfs/dbraw/zinc/67/86/83/355678683.db2.gz XNAKJHACOZCPRQ-UWVGGRQHSA-N 1 2 211.265 -0.354 20 0 BBADLO Cc1[nH]ncc1C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000350324740 355678737 /nfs/dbraw/zinc/67/87/37/355678737.db2.gz XNAKJHACOZCPRQ-VHSXEESVSA-N 1 2 211.265 -0.354 20 0 BBADLO Cc1[nH]ncc1C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000350324740 355678734 /nfs/dbraw/zinc/67/87/34/355678734.db2.gz XNAKJHACOZCPRQ-VHSXEESVSA-N 1 2 211.265 -0.354 20 0 BBADLO Cc1[nH]ncc1C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000350324741 355678713 /nfs/dbraw/zinc/67/87/13/355678713.db2.gz XNAKJHACOZCPRQ-ZJUUUORDSA-N 1 2 211.265 -0.354 20 0 BBADLO Cc1[nH]ncc1C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000350324741 355678710 /nfs/dbraw/zinc/67/87/10/355678710.db2.gz XNAKJHACOZCPRQ-ZJUUUORDSA-N 1 2 211.265 -0.354 20 0 BBADLO Cc1nocc1C[NH+]1CCN(CC(N)=O)CC1 ZINC000350436963 355706320 /nfs/dbraw/zinc/70/63/20/355706320.db2.gz CSEHSDRCDLNFFI-UHFFFAOYSA-N 1 2 238.291 -0.414 20 0 BBADLO Cc1nccc(C[NH+]2CCN(CC(N)=O)CC2)n1 ZINC000350442242 136360457 /nfs/dbraw/zinc/36/04/57/136360457.db2.gz ZVVONBLVIUJTMP-UHFFFAOYSA-N 1 2 249.318 -0.612 20 0 BBADLO COC(=O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000350474305 342838221 /nfs/dbraw/zinc/83/82/21/342838221.db2.gz AWPLNDDXXMAHEZ-UHFFFAOYSA-N 1 2 225.248 -0.026 20 0 BBADLO COC(=O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000350474305 342838219 /nfs/dbraw/zinc/83/82/19/342838219.db2.gz AWPLNDDXXMAHEZ-UHFFFAOYSA-N 1 2 225.248 -0.026 20 0 BBADLO COC(=O)CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000350485037 136361435 /nfs/dbraw/zinc/36/14/35/136361435.db2.gz PCJFEPKQNSPJLN-UHFFFAOYSA-N 1 2 225.248 -0.026 20 0 BBADLO Cc1[nH]c(C(=O)NC[C@@H](C)S(N)(=O)=O)c[nH+]1 ZINC000350615541 136362085 /nfs/dbraw/zinc/36/20/85/136362085.db2.gz HGCPAPLUZZHWIM-RXMQYKEDSA-N 1 2 246.292 -0.875 20 0 BBADLO Cc1[nH]c(C(=O)NC[C@H](C)S(N)(=O)=O)c[nH+]1 ZINC000350615542 136362293 /nfs/dbraw/zinc/36/22/93/136362293.db2.gz HGCPAPLUZZHWIM-YFKPBYRVSA-N 1 2 246.292 -0.875 20 0 BBADLO C[NH+](C)Cc1nc([C@H]2CN3CCN2CC3)no1 ZINC000350655929 366318433 /nfs/dbraw/zinc/31/84/33/366318433.db2.gz FSDKEBYGZFAWGB-SECBINFHSA-N 1 2 237.307 -0.197 20 0 BBADLO C[NH+](C)Cc1nc([C@@H]2CN3CCN2CC3)no1 ZINC000350655930 366317929 /nfs/dbraw/zinc/31/79/29/366317929.db2.gz FSDKEBYGZFAWGB-VIFPVBQESA-N 1 2 237.307 -0.197 20 0 BBADLO C[C@@H](C(=O)N1CCC1)[NH+]1CCN(C)CC1 ZINC000350786172 136363248 /nfs/dbraw/zinc/36/32/48/136363248.db2.gz LVOFWHXSHOACNN-JTQLQIEISA-N 1 2 211.309 -0.145 20 0 BBADLO C[C@H](C(=O)N1CCC1)[NH+]1CCN(C)CC1 ZINC000350786173 398302027 /nfs/dbraw/zinc/30/20/27/398302027.db2.gz LVOFWHXSHOACNN-SNVBAGLBSA-N 1 2 211.309 -0.145 20 0 BBADLO C[C@@H]1CN(S(=O)(=O)N(C)C)[C@@H](C)C[N@H+]1C ZINC000350802145 136363613 /nfs/dbraw/zinc/36/36/13/136363613.db2.gz MTCDLWFXVPSXKZ-BDAKNGLRSA-N 1 2 235.353 -0.183 20 0 BBADLO C[C@@H]1CN(S(=O)(=O)N(C)C)[C@@H](C)C[N@@H+]1C ZINC000350802145 136363612 /nfs/dbraw/zinc/36/36/12/136363612.db2.gz MTCDLWFXVPSXKZ-BDAKNGLRSA-N 1 2 235.353 -0.183 20 0 BBADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)N(C)C ZINC000350802158 136363812 /nfs/dbraw/zinc/36/38/12/136363812.db2.gz MTCDLWFXVPSXKZ-DTWKUNHWSA-N 1 2 235.353 -0.183 20 0 BBADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)N(C)C ZINC000350802158 136363811 /nfs/dbraw/zinc/36/38/11/136363811.db2.gz MTCDLWFXVPSXKZ-DTWKUNHWSA-N 1 2 235.353 -0.183 20 0 BBADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)N(C)C ZINC000350802159 136363417 /nfs/dbraw/zinc/36/34/17/136363417.db2.gz MTCDLWFXVPSXKZ-IUCAKERBSA-N 1 2 235.353 -0.183 20 0 BBADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)N(C)C ZINC000350802159 136363416 /nfs/dbraw/zinc/36/34/16/136363416.db2.gz MTCDLWFXVPSXKZ-IUCAKERBSA-N 1 2 235.353 -0.183 20 0 BBADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)N(C)C ZINC000350802160 136363763 /nfs/dbraw/zinc/36/37/63/136363763.db2.gz MTCDLWFXVPSXKZ-RKDXNWHRSA-N 1 2 235.353 -0.183 20 0 BBADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)N(C)C ZINC000350802160 136363762 /nfs/dbraw/zinc/36/37/62/136363762.db2.gz MTCDLWFXVPSXKZ-RKDXNWHRSA-N 1 2 235.353 -0.183 20 0 BBADLO CCc1nocc1C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000350896393 355869181 /nfs/dbraw/zinc/86/91/81/355869181.db2.gz MVZNJAVJYLYTOA-JTQLQIEISA-N 1 2 239.275 -0.077 20 0 BBADLO CCc1nocc1C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000350896393 355869179 /nfs/dbraw/zinc/86/91/79/355869179.db2.gz MVZNJAVJYLYTOA-JTQLQIEISA-N 1 2 239.275 -0.077 20 0 BBADLO CCc1nocc1C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000350896394 355869121 /nfs/dbraw/zinc/86/91/21/355869121.db2.gz MVZNJAVJYLYTOA-SNVBAGLBSA-N 1 2 239.275 -0.077 20 0 BBADLO CCc1nocc1C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000350896394 355869118 /nfs/dbraw/zinc/86/91/18/355869118.db2.gz MVZNJAVJYLYTOA-SNVBAGLBSA-N 1 2 239.275 -0.077 20 0 BBADLO Cc1nocc1C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000350943910 136365177 /nfs/dbraw/zinc/36/51/77/136365177.db2.gz RQRFALBNHTXDFJ-SECBINFHSA-N 1 2 225.248 -0.331 20 0 BBADLO Cc1nocc1C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000350943910 136365176 /nfs/dbraw/zinc/36/51/76/136365176.db2.gz RQRFALBNHTXDFJ-SECBINFHSA-N 1 2 225.248 -0.331 20 0 BBADLO Cc1nocc1C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000350943911 136365135 /nfs/dbraw/zinc/36/51/35/136365135.db2.gz RQRFALBNHTXDFJ-VIFPVBQESA-N 1 2 225.248 -0.331 20 0 BBADLO Cc1nocc1C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000350943911 136365134 /nfs/dbraw/zinc/36/51/34/136365134.db2.gz RQRFALBNHTXDFJ-VIFPVBQESA-N 1 2 225.248 -0.331 20 0 BBADLO CC[C@@H](O)C[NH+]1CC(OCC(=O)N(C)C)C1 ZINC000351332518 355980072 /nfs/dbraw/zinc/98/00/72/355980072.db2.gz SSCRRFSAVCFESE-SECBINFHSA-N 1 2 230.308 -0.454 20 0 BBADLO CC[C@H](O)C[NH+]1CC(OCC(=O)N(C)C)C1 ZINC000351332524 355980412 /nfs/dbraw/zinc/98/04/12/355980412.db2.gz SSCRRFSAVCFESE-VIFPVBQESA-N 1 2 230.308 -0.454 20 0 BBADLO CCOC(=O)COCC[N@@H+](C)CC(=O)OC ZINC000351335125 535685586 /nfs/dbraw/zinc/68/55/86/535685586.db2.gz GIVSHJVCEMQRGK-UHFFFAOYSA-N 1 2 233.264 -0.329 20 0 BBADLO CCOC(=O)COCC[N@H+](C)CC(=O)OC ZINC000351335125 535685584 /nfs/dbraw/zinc/68/55/84/535685584.db2.gz GIVSHJVCEMQRGK-UHFFFAOYSA-N 1 2 233.264 -0.329 20 0 BBADLO C[C@@H]1C[N@@H+](CCN2CCS(=O)CC2)CCO1 ZINC000351493432 356001803 /nfs/dbraw/zinc/00/18/03/356001803.db2.gz OEXVVDBQZWCQLQ-LLVKDONJSA-N 1 2 246.376 -0.229 20 0 BBADLO C[C@@H]1C[N@H+](CCN2CCS(=O)CC2)CCO1 ZINC000351493432 356001799 /nfs/dbraw/zinc/00/17/99/356001799.db2.gz OEXVVDBQZWCQLQ-LLVKDONJSA-N 1 2 246.376 -0.229 20 0 BBADLO C[C@H]1C[N@@H+](CCN2CCS(=O)CC2)CCO1 ZINC000351493434 356001606 /nfs/dbraw/zinc/00/16/06/356001606.db2.gz OEXVVDBQZWCQLQ-NSHDSACASA-N 1 2 246.376 -0.229 20 0 BBADLO C[C@H]1C[N@H+](CCN2CCS(=O)CC2)CCO1 ZINC000351493434 356001604 /nfs/dbraw/zinc/00/16/04/356001604.db2.gz OEXVVDBQZWCQLQ-NSHDSACASA-N 1 2 246.376 -0.229 20 0 BBADLO Cc1[nH]c(C(=O)N[C@@H](CO)c2cnn(C)c2)c[nH+]1 ZINC000351494075 356001750 /nfs/dbraw/zinc/00/17/50/356001750.db2.gz RYEQRSNBWWBHIR-JTQLQIEISA-N 1 2 249.274 -0.085 20 0 BBADLO Cc1[nH]c(C(=O)N[C@H](CO)c2cnn(C)c2)c[nH+]1 ZINC000351494076 356001784 /nfs/dbraw/zinc/00/17/84/356001784.db2.gz RYEQRSNBWWBHIR-SNVBAGLBSA-N 1 2 249.274 -0.085 20 0 BBADLO CN1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000351498625 356003754 /nfs/dbraw/zinc/00/37/54/356003754.db2.gz KVDURFHFYOUZHT-JTQLQIEISA-N 1 2 227.308 -0.909 20 0 BBADLO CN1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000351498625 356003749 /nfs/dbraw/zinc/00/37/49/356003749.db2.gz KVDURFHFYOUZHT-JTQLQIEISA-N 1 2 227.308 -0.909 20 0 BBADLO CN1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000351498626 356003812 /nfs/dbraw/zinc/00/38/12/356003812.db2.gz KVDURFHFYOUZHT-SNVBAGLBSA-N 1 2 227.308 -0.909 20 0 BBADLO CN1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000351498626 356003808 /nfs/dbraw/zinc/00/38/08/356003808.db2.gz KVDURFHFYOUZHT-SNVBAGLBSA-N 1 2 227.308 -0.909 20 0 BBADLO Cc1nc(NCc2ncn(C)n2)nc(N(C)C)[nH+]1 ZINC000351503892 411768801 /nfs/dbraw/zinc/76/88/01/411768801.db2.gz YGWFRWJOTLYYET-UHFFFAOYSA-N 1 2 248.294 -0.013 20 0 BBADLO Cc1nc(N(C)C)nc(NCc2ncn(C)n2)[nH+]1 ZINC000351503892 411768798 /nfs/dbraw/zinc/76/87/98/411768798.db2.gz YGWFRWJOTLYYET-UHFFFAOYSA-N 1 2 248.294 -0.013 20 0 BBADLO CC[NH+]1CCN(S(=O)(=O)C2COC2)CC1 ZINC000351564179 356018413 /nfs/dbraw/zinc/01/84/13/356018413.db2.gz QULHPCMRBMYVSI-UHFFFAOYSA-N 1 2 234.321 -0.648 20 0 BBADLO CC(C)[NH+]1CCN(S(=O)(=O)C2COC2)CC1 ZINC000351589443 356022638 /nfs/dbraw/zinc/02/26/38/356022638.db2.gz YBSMUTPDJSWRFY-UHFFFAOYSA-N 1 2 248.348 -0.259 20 0 BBADLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC000351597461 356026443 /nfs/dbraw/zinc/02/64/43/356026443.db2.gz AOIRPIQECOBEGU-MRVPVSSYSA-N 1 2 238.295 -0.682 20 0 BBADLO CNC(=O)N[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC000351597461 356026439 /nfs/dbraw/zinc/02/64/39/356026439.db2.gz AOIRPIQECOBEGU-MRVPVSSYSA-N 1 2 238.295 -0.682 20 0 BBADLO CNC(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC000351597462 356026619 /nfs/dbraw/zinc/02/66/19/356026619.db2.gz AOIRPIQECOBEGU-QMMMGPOBSA-N 1 2 238.295 -0.682 20 0 BBADLO CNC(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC000351597462 356026616 /nfs/dbraw/zinc/02/66/16/356026616.db2.gz AOIRPIQECOBEGU-QMMMGPOBSA-N 1 2 238.295 -0.682 20 0 BBADLO CC(C)OC[C@H](O)C[N@H+]1CCc2nn[nH]c2C1 ZINC000351610737 136247782 /nfs/dbraw/zinc/24/77/82/136247782.db2.gz WXBGRNULZKHMJG-SECBINFHSA-N 1 2 240.307 -0.051 20 0 BBADLO CC(C)OC[C@H](O)C[N@@H+]1CCc2nn[nH]c2C1 ZINC000351610737 136247781 /nfs/dbraw/zinc/24/77/81/136247781.db2.gz WXBGRNULZKHMJG-SECBINFHSA-N 1 2 240.307 -0.051 20 0 BBADLO CC(C)OC[C@@H](O)C[N@H+]1CCc2nn[nH]c2C1 ZINC000351610738 356027765 /nfs/dbraw/zinc/02/77/65/356027765.db2.gz WXBGRNULZKHMJG-VIFPVBQESA-N 1 2 240.307 -0.051 20 0 BBADLO CC(C)OC[C@@H](O)C[N@@H+]1CCc2nn[nH]c2C1 ZINC000351610738 356027764 /nfs/dbraw/zinc/02/77/64/356027764.db2.gz WXBGRNULZKHMJG-VIFPVBQESA-N 1 2 240.307 -0.051 20 0 BBADLO C[N@@H+](Cc1nccc(N)n1)[C@@]1(CO)CCOC1 ZINC000351611726 411890424 /nfs/dbraw/zinc/89/04/24/411890424.db2.gz SDNYJCWFHZRWKZ-LLVKDONJSA-N 1 2 238.291 -0.358 20 0 BBADLO C[N@H+](Cc1nccc(N)n1)[C@@]1(CO)CCOC1 ZINC000351611726 411890421 /nfs/dbraw/zinc/89/04/21/411890421.db2.gz SDNYJCWFHZRWKZ-LLVKDONJSA-N 1 2 238.291 -0.358 20 0 BBADLO C[N@@H+](Cc1nccc(N)n1)[C@]1(CO)CCOC1 ZINC000351611731 411891694 /nfs/dbraw/zinc/89/16/94/411891694.db2.gz SDNYJCWFHZRWKZ-NSHDSACASA-N 1 2 238.291 -0.358 20 0 BBADLO C[N@H+](Cc1nccc(N)n1)[C@]1(CO)CCOC1 ZINC000351611731 411891692 /nfs/dbraw/zinc/89/16/92/411891692.db2.gz SDNYJCWFHZRWKZ-NSHDSACASA-N 1 2 238.291 -0.358 20 0 BBADLO C[C@@H]1CC[N@@H+](Cc2cnnn2C)[C@@H](C(N)=O)C1 ZINC000351612994 356028086 /nfs/dbraw/zinc/02/80/86/356028086.db2.gz ZCWDOGWAORNRJU-PSASIEDQSA-N 1 2 237.307 -0.099 20 0 BBADLO C[C@@H]1CC[N@H+](Cc2cnnn2C)[C@@H](C(N)=O)C1 ZINC000351612994 356028083 /nfs/dbraw/zinc/02/80/83/356028083.db2.gz ZCWDOGWAORNRJU-PSASIEDQSA-N 1 2 237.307 -0.099 20 0 BBADLO C[C@@H]1CC[N@@H+](Cc2cnnn2C)[C@H](C(N)=O)C1 ZINC000351612995 356028815 /nfs/dbraw/zinc/02/88/15/356028815.db2.gz ZCWDOGWAORNRJU-SCZZXKLOSA-N 1 2 237.307 -0.099 20 0 BBADLO C[C@@H]1CC[N@H+](Cc2cnnn2C)[C@H](C(N)=O)C1 ZINC000351612995 356028813 /nfs/dbraw/zinc/02/88/13/356028813.db2.gz ZCWDOGWAORNRJU-SCZZXKLOSA-N 1 2 237.307 -0.099 20 0 BBADLO C[C@H]1CC[N@@H+](Cc2cnnn2C)[C@@H](C(N)=O)C1 ZINC000351612996 356028856 /nfs/dbraw/zinc/02/88/56/356028856.db2.gz ZCWDOGWAORNRJU-WCBMZHEXSA-N 1 2 237.307 -0.099 20 0 BBADLO C[C@H]1CC[N@H+](Cc2cnnn2C)[C@@H](C(N)=O)C1 ZINC000351612996 356028854 /nfs/dbraw/zinc/02/88/54/356028854.db2.gz ZCWDOGWAORNRJU-WCBMZHEXSA-N 1 2 237.307 -0.099 20 0 BBADLO C[C@H]1CC[N@@H+](Cc2cnnn2C)[C@H](C(N)=O)C1 ZINC000351612997 356028259 /nfs/dbraw/zinc/02/82/59/356028259.db2.gz ZCWDOGWAORNRJU-WPRPVWTQSA-N 1 2 237.307 -0.099 20 0 BBADLO C[C@H]1CC[N@H+](Cc2cnnn2C)[C@H](C(N)=O)C1 ZINC000351612997 356028256 /nfs/dbraw/zinc/02/82/56/356028256.db2.gz ZCWDOGWAORNRJU-WPRPVWTQSA-N 1 2 237.307 -0.099 20 0 BBADLO O=C1CCCN1CC[N@H+]1CCc2nn[nH]c2C1 ZINC000351615999 356029830 /nfs/dbraw/zinc/02/98/30/356029830.db2.gz PKQYWFYSCIKNDF-UHFFFAOYSA-N 1 2 235.291 -0.215 20 0 BBADLO O=C1CCCN1CC[N@@H+]1CCc2nn[nH]c2C1 ZINC000351615999 356029826 /nfs/dbraw/zinc/02/98/26/356029826.db2.gz PKQYWFYSCIKNDF-UHFFFAOYSA-N 1 2 235.291 -0.215 20 0 BBADLO C[C@H]1CC[N@@H+](CC(=O)N(C)C)CC[S@@]1=O ZINC000351621958 136248886 /nfs/dbraw/zinc/24/88/86/136248886.db2.gz ROGWPKMKEYUQQF-VFZGTOFNSA-N 1 2 232.349 -0.083 20 0 BBADLO C[C@H]1CC[N@H+](CC(=O)N(C)C)CC[S@@]1=O ZINC000351621958 136248885 /nfs/dbraw/zinc/24/88/85/136248885.db2.gz ROGWPKMKEYUQQF-VFZGTOFNSA-N 1 2 232.349 -0.083 20 0 BBADLO C[C@@H]1CC[N@@H+](CC(=O)N(C)C)CC[S@]1=O ZINC000351621959 136248959 /nfs/dbraw/zinc/24/89/59/136248959.db2.gz ROGWPKMKEYUQQF-RFAUZJTJSA-N 1 2 232.349 -0.083 20 0 BBADLO C[C@@H]1CC[N@H+](CC(=O)N(C)C)CC[S@]1=O ZINC000351621959 136248958 /nfs/dbraw/zinc/24/89/58/136248958.db2.gz ROGWPKMKEYUQQF-RFAUZJTJSA-N 1 2 232.349 -0.083 20 0 BBADLO C[C@@H]1CC[N@@H+](CC(=O)N(C)C)CC[S@@]1=O ZINC000351621960 356032204 /nfs/dbraw/zinc/03/22/04/356032204.db2.gz ROGWPKMKEYUQQF-PSLIRLAXSA-N 1 2 232.349 -0.083 20 0 BBADLO C[C@@H]1CC[N@H+](CC(=O)N(C)C)CC[S@@]1=O ZINC000351621960 356032203 /nfs/dbraw/zinc/03/22/03/356032203.db2.gz ROGWPKMKEYUQQF-PSLIRLAXSA-N 1 2 232.349 -0.083 20 0 BBADLO C[C@H]1CC[N@@H+](CC(=O)N(C)C)CC[S@]1=O ZINC000351621961 356032164 /nfs/dbraw/zinc/03/21/64/356032164.db2.gz ROGWPKMKEYUQQF-BJOHPYRUSA-N 1 2 232.349 -0.083 20 0 BBADLO C[C@H]1CC[N@H+](CC(=O)N(C)C)CC[S@]1=O ZINC000351621961 356032162 /nfs/dbraw/zinc/03/21/62/356032162.db2.gz ROGWPKMKEYUQQF-BJOHPYRUSA-N 1 2 232.349 -0.083 20 0 BBADLO Cn1nncc1C[N@H+]1C[C@H](F)C[C@H]1CO ZINC000351626033 136248833 /nfs/dbraw/zinc/24/88/33/136248833.db2.gz CXZWBOWVWUCGHP-SFYZADRCSA-N 1 2 214.244 -0.280 20 0 BBADLO Cn1nncc1C[N@@H+]1C[C@H](F)C[C@H]1CO ZINC000351626033 136248832 /nfs/dbraw/zinc/24/88/32/136248832.db2.gz CXZWBOWVWUCGHP-SFYZADRCSA-N 1 2 214.244 -0.280 20 0 BBADLO Cn1nncc1C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000351626034 136248956 /nfs/dbraw/zinc/24/89/56/136248956.db2.gz CXZWBOWVWUCGHP-YUMQZZPRSA-N 1 2 214.244 -0.280 20 0 BBADLO Cn1nncc1C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000351626034 136248955 /nfs/dbraw/zinc/24/89/55/136248955.db2.gz CXZWBOWVWUCGHP-YUMQZZPRSA-N 1 2 214.244 -0.280 20 0 BBADLO C[C@H]1CC[S@@](=O)CC[N@H+]1CC(=O)N(C)C ZINC000351626898 136248489 /nfs/dbraw/zinc/24/84/89/136248489.db2.gz FKSOHWCQXOGXAC-BJOHPYRUSA-N 1 2 232.349 -0.083 20 0 BBADLO C[C@H]1CC[S@@](=O)CC[N@@H+]1CC(=O)N(C)C ZINC000351626898 136248488 /nfs/dbraw/zinc/24/84/88/136248488.db2.gz FKSOHWCQXOGXAC-BJOHPYRUSA-N 1 2 232.349 -0.083 20 0 BBADLO C[C@@H]1CC[S@](=O)CC[N@H+]1CC(=O)N(C)C ZINC000351626899 136248575 /nfs/dbraw/zinc/24/85/75/136248575.db2.gz FKSOHWCQXOGXAC-PSLIRLAXSA-N 1 2 232.349 -0.083 20 0 BBADLO C[C@@H]1CC[S@](=O)CC[N@@H+]1CC(=O)N(C)C ZINC000351626899 136248574 /nfs/dbraw/zinc/24/85/74/136248574.db2.gz FKSOHWCQXOGXAC-PSLIRLAXSA-N 1 2 232.349 -0.083 20 0 BBADLO C[C@@H]1CC[S@@](=O)CC[N@H+]1CC(=O)N(C)C ZINC000351626900 136248992 /nfs/dbraw/zinc/24/89/92/136248992.db2.gz FKSOHWCQXOGXAC-RFAUZJTJSA-N 1 2 232.349 -0.083 20 0 BBADLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1CC(=O)N(C)C ZINC000351626900 136248991 /nfs/dbraw/zinc/24/89/91/136248991.db2.gz FKSOHWCQXOGXAC-RFAUZJTJSA-N 1 2 232.349 -0.083 20 0 BBADLO C[C@H]1CC[S@](=O)CC[N@H+]1CC(=O)N(C)C ZINC000351626901 136248898 /nfs/dbraw/zinc/24/88/98/136248898.db2.gz FKSOHWCQXOGXAC-VFZGTOFNSA-N 1 2 232.349 -0.083 20 0 BBADLO C[C@H]1CC[S@](=O)CC[N@@H+]1CC(=O)N(C)C ZINC000351626901 136248897 /nfs/dbraw/zinc/24/88/97/136248897.db2.gz FKSOHWCQXOGXAC-VFZGTOFNSA-N 1 2 232.349 -0.083 20 0 BBADLO COCCOCC[N@H+]1CCc2nn[nH]c2C1 ZINC000351637624 356039541 /nfs/dbraw/zinc/03/95/41/356039541.db2.gz AXEUJKKEDRERHG-UHFFFAOYSA-N 1 2 226.280 -0.174 20 0 BBADLO COCCOCC[N@@H+]1CCc2nn[nH]c2C1 ZINC000351637624 356039538 /nfs/dbraw/zinc/03/95/38/356039538.db2.gz AXEUJKKEDRERHG-UHFFFAOYSA-N 1 2 226.280 -0.174 20 0 BBADLO CO[C@H]1C[NH+](Cc2nccc(N)n2)C[C@@H]1OC ZINC000351647272 411899485 /nfs/dbraw/zinc/89/94/85/411899485.db2.gz ITLOORNUHOKCDW-IUCAKERBSA-N 1 2 238.291 -0.096 20 0 BBADLO CO[C@@H]1C[NH+](Cc2nccc(N)n2)C[C@H]1OC ZINC000351647273 411896449 /nfs/dbraw/zinc/89/64/49/411896449.db2.gz ITLOORNUHOKCDW-RKDXNWHRSA-N 1 2 238.291 -0.096 20 0 BBADLO C[C@H]1C[N@@H+](CC(=O)N(C)C)CC[S@@](=O)C1 ZINC000351652115 136249325 /nfs/dbraw/zinc/24/93/25/136249325.db2.gz RPJYOJCEWFUAQG-BJOHPYRUSA-N 1 2 232.349 -0.225 20 0 BBADLO C[C@H]1C[N@H+](CC(=O)N(C)C)CC[S@@](=O)C1 ZINC000351652115 136249324 /nfs/dbraw/zinc/24/93/24/136249324.db2.gz RPJYOJCEWFUAQG-BJOHPYRUSA-N 1 2 232.349 -0.225 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C)CC[S@](=O)C1 ZINC000351652116 136249363 /nfs/dbraw/zinc/24/93/63/136249363.db2.gz RPJYOJCEWFUAQG-PSLIRLAXSA-N 1 2 232.349 -0.225 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)N(C)C)CC[S@](=O)C1 ZINC000351652116 136249362 /nfs/dbraw/zinc/24/93/62/136249362.db2.gz RPJYOJCEWFUAQG-PSLIRLAXSA-N 1 2 232.349 -0.225 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C)CC[S@@](=O)C1 ZINC000351652117 136249434 /nfs/dbraw/zinc/24/94/34/136249434.db2.gz RPJYOJCEWFUAQG-RFAUZJTJSA-N 1 2 232.349 -0.225 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)N(C)C)CC[S@@](=O)C1 ZINC000351652117 136249433 /nfs/dbraw/zinc/24/94/33/136249433.db2.gz RPJYOJCEWFUAQG-RFAUZJTJSA-N 1 2 232.349 -0.225 20 0 BBADLO C[C@H]1C[N@@H+](CC(=O)N(C)C)CC[S@](=O)C1 ZINC000351652118 136249358 /nfs/dbraw/zinc/24/93/58/136249358.db2.gz RPJYOJCEWFUAQG-VFZGTOFNSA-N 1 2 232.349 -0.225 20 0 BBADLO C[C@H]1C[N@H+](CC(=O)N(C)C)CC[S@](=O)C1 ZINC000351652118 136249357 /nfs/dbraw/zinc/24/93/57/136249357.db2.gz RPJYOJCEWFUAQG-VFZGTOFNSA-N 1 2 232.349 -0.225 20 0 BBADLO CC(C)[N@H+]1CCO[C@@H](C(=O)Nc2nn[nH]n2)C1 ZINC000351670693 356050987 /nfs/dbraw/zinc/05/09/87/356050987.db2.gz JBXUXQHDYFBOIQ-SSDOTTSWSA-N 1 2 240.267 -0.753 20 0 BBADLO CC(C)[N@@H+]1CCO[C@@H](C(=O)Nc2nn[nH]n2)C1 ZINC000351670693 356050985 /nfs/dbraw/zinc/05/09/85/356050985.db2.gz JBXUXQHDYFBOIQ-SSDOTTSWSA-N 1 2 240.267 -0.753 20 0 BBADLO CC(C)[N@H+]1CCO[C@H](C(=O)Nc2nn[nH]n2)C1 ZINC000351670694 356051219 /nfs/dbraw/zinc/05/12/19/356051219.db2.gz JBXUXQHDYFBOIQ-ZETCQYMHSA-N 1 2 240.267 -0.753 20 0 BBADLO CC(C)[N@@H+]1CCO[C@H](C(=O)Nc2nn[nH]n2)C1 ZINC000351670694 356051214 /nfs/dbraw/zinc/05/12/14/356051214.db2.gz JBXUXQHDYFBOIQ-ZETCQYMHSA-N 1 2 240.267 -0.753 20 0 BBADLO O=S(=O)(N1CCC1)N1CC[NH+](C2CC2)CC1 ZINC000351673117 356051804 /nfs/dbraw/zinc/05/18/04/356051804.db2.gz PVDBJYRRVJFHGA-UHFFFAOYSA-N 1 2 245.348 -0.283 20 0 BBADLO CC(C)[NH+]1CCN(S(=O)(=O)N2CCC2)CC1 ZINC000351687617 356058464 /nfs/dbraw/zinc/05/84/64/356058464.db2.gz XLAJATWFWDXOSD-UHFFFAOYSA-N 1 2 247.364 -0.037 20 0 BBADLO O=S(=O)(NCCCn1cc[nH+]c1)N1CCC1 ZINC000351700357 356063054 /nfs/dbraw/zinc/06/30/54/356063054.db2.gz LYXKCGCPMNTCDT-UHFFFAOYSA-N 1 2 244.320 -0.187 20 0 BBADLO C[NH+]1CCN(S(=O)(=O)N2CCC2)CC1 ZINC000351701428 356063692 /nfs/dbraw/zinc/06/36/92/356063692.db2.gz WTUNRIXPWALNCE-UHFFFAOYSA-N 1 2 219.310 -0.816 20 0 BBADLO COCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000351701597 356063450 /nfs/dbraw/zinc/06/34/50/356063450.db2.gz DBGMXSKWKDFHIF-BDAKNGLRSA-N 1 2 214.265 -0.826 20 0 BBADLO COCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000351701597 356063446 /nfs/dbraw/zinc/06/34/46/356063446.db2.gz DBGMXSKWKDFHIF-BDAKNGLRSA-N 1 2 214.265 -0.826 20 0 BBADLO CO[C@H](C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000351702459 356063018 /nfs/dbraw/zinc/06/30/18/356063018.db2.gz JDEMVERIAAIENR-BBBLOLIVSA-N 1 2 228.292 -0.437 20 0 BBADLO CO[C@H](C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000351702459 356063016 /nfs/dbraw/zinc/06/30/16/356063016.db2.gz JDEMVERIAAIENR-BBBLOLIVSA-N 1 2 228.292 -0.437 20 0 BBADLO CC[NH+]1CCN(S(=O)(=O)N2CCC2)CC1 ZINC000351702991 356063274 /nfs/dbraw/zinc/06/32/74/356063274.db2.gz HPVXFQXNHJDNEW-UHFFFAOYSA-N 1 2 233.337 -0.426 20 0 BBADLO COC(C)(C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000351704769 356064419 /nfs/dbraw/zinc/06/44/19/356064419.db2.gz VGXMCADZHHFTJR-ZJUUUORDSA-N 1 2 242.319 -0.047 20 0 BBADLO COC(C)(C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000351704769 356064417 /nfs/dbraw/zinc/06/44/17/356064417.db2.gz VGXMCADZHHFTJR-ZJUUUORDSA-N 1 2 242.319 -0.047 20 0 BBADLO NC(=O)CC(=O)NCc1cn2ccccc2[nH+]1 ZINC000351721732 356071574 /nfs/dbraw/zinc/07/15/74/356071574.db2.gz NQVYGZIOLDUIES-UHFFFAOYSA-N 1 2 232.243 -0.174 20 0 BBADLO CC(C)OCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000351746106 356078905 /nfs/dbraw/zinc/07/89/05/356078905.db2.gz QCGFVJBSQQXLFP-MNOVXSKESA-N 1 2 242.319 -0.047 20 0 BBADLO CC(C)OCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000351746106 356078897 /nfs/dbraw/zinc/07/88/97/356078897.db2.gz QCGFVJBSQQXLFP-MNOVXSKESA-N 1 2 242.319 -0.047 20 0 BBADLO C[C@@H](F)CC[N@H+]1CCOC[C@@H]1C(N)=O ZINC000351760780 136252746 /nfs/dbraw/zinc/25/27/46/136252746.db2.gz NGHUZQLLJHBATA-HTQZYQBOSA-N 1 2 204.245 -0.079 20 0 BBADLO C[C@@H](F)CC[N@@H+]1CCOC[C@@H]1C(N)=O ZINC000351760780 136252745 /nfs/dbraw/zinc/25/27/45/136252745.db2.gz NGHUZQLLJHBATA-HTQZYQBOSA-N 1 2 204.245 -0.079 20 0 BBADLO C[C@H](F)CC[N@H+]1CCOC[C@@H]1C(N)=O ZINC000351760781 136252496 /nfs/dbraw/zinc/25/24/96/136252496.db2.gz NGHUZQLLJHBATA-JGVFFNPUSA-N 1 2 204.245 -0.079 20 0 BBADLO C[C@H](F)CC[N@@H+]1CCOC[C@@H]1C(N)=O ZINC000351760781 136252495 /nfs/dbraw/zinc/25/24/95/136252495.db2.gz NGHUZQLLJHBATA-JGVFFNPUSA-N 1 2 204.245 -0.079 20 0 BBADLO C[C@@H](F)CC[N@H+]1CCOC[C@H]1C(N)=O ZINC000351760782 136252212 /nfs/dbraw/zinc/25/22/12/136252212.db2.gz NGHUZQLLJHBATA-SFYZADRCSA-N 1 2 204.245 -0.079 20 0 BBADLO C[C@@H](F)CC[N@@H+]1CCOC[C@H]1C(N)=O ZINC000351760782 136252211 /nfs/dbraw/zinc/25/22/11/136252211.db2.gz NGHUZQLLJHBATA-SFYZADRCSA-N 1 2 204.245 -0.079 20 0 BBADLO C[C@H](F)CC[N@H+]1CCOC[C@H]1C(N)=O ZINC000351760783 136252247 /nfs/dbraw/zinc/25/22/47/136252247.db2.gz NGHUZQLLJHBATA-YUMQZZPRSA-N 1 2 204.245 -0.079 20 0 BBADLO C[C@H](F)CC[N@@H+]1CCOC[C@H]1C(N)=O ZINC000351760783 136252246 /nfs/dbraw/zinc/25/22/46/136252246.db2.gz NGHUZQLLJHBATA-YUMQZZPRSA-N 1 2 204.245 -0.079 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)CCCCO ZINC000351764917 136252923 /nfs/dbraw/zinc/25/29/23/136252923.db2.gz MQMFFSWWRUACOK-LLVKDONJSA-N 1 2 244.335 -0.062 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)CCCCO ZINC000351764917 136252922 /nfs/dbraw/zinc/25/29/22/136252922.db2.gz MQMFFSWWRUACOK-LLVKDONJSA-N 1 2 244.335 -0.062 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)CCCCO ZINC000351764918 136252933 /nfs/dbraw/zinc/25/29/33/136252933.db2.gz MQMFFSWWRUACOK-NSHDSACASA-N 1 2 244.335 -0.062 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)CCCCO ZINC000351764918 136252932 /nfs/dbraw/zinc/25/29/32/136252932.db2.gz MQMFFSWWRUACOK-NSHDSACASA-N 1 2 244.335 -0.062 20 0 BBADLO C[C@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C[C@@H]1O ZINC000351781762 177243550 /nfs/dbraw/zinc/24/35/50/177243550.db2.gz OIRRWHGMIGCHLY-BQBZGAKWSA-N 1 2 240.225 -0.023 20 0 BBADLO C[C@H]1C[N@H+](CC(=O)NCC(F)(F)F)C[C@@H]1O ZINC000351781762 177243549 /nfs/dbraw/zinc/24/35/49/177243549.db2.gz OIRRWHGMIGCHLY-BQBZGAKWSA-N 1 2 240.225 -0.023 20 0 BBADLO C[C@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]1O ZINC000351781763 177243977 /nfs/dbraw/zinc/24/39/77/177243977.db2.gz OIRRWHGMIGCHLY-NKWVEPMBSA-N 1 2 240.225 -0.023 20 0 BBADLO C[C@H]1C[N@H+](CC(=O)NCC(F)(F)F)C[C@H]1O ZINC000351781763 177243976 /nfs/dbraw/zinc/24/39/76/177243976.db2.gz OIRRWHGMIGCHLY-NKWVEPMBSA-N 1 2 240.225 -0.023 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]1O ZINC000351781764 176283838 /nfs/dbraw/zinc/28/38/38/176283838.db2.gz OIRRWHGMIGCHLY-RNFRBKRXSA-N 1 2 240.225 -0.023 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)NCC(F)(F)F)C[C@H]1O ZINC000351781764 176283836 /nfs/dbraw/zinc/28/38/36/176283836.db2.gz OIRRWHGMIGCHLY-RNFRBKRXSA-N 1 2 240.225 -0.023 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C[C@@H]1O ZINC000351781765 176283638 /nfs/dbraw/zinc/28/36/38/176283638.db2.gz OIRRWHGMIGCHLY-RQJHMYQMSA-N 1 2 240.225 -0.023 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)NCC(F)(F)F)C[C@@H]1O ZINC000351781765 176283636 /nfs/dbraw/zinc/28/36/36/176283636.db2.gz OIRRWHGMIGCHLY-RQJHMYQMSA-N 1 2 240.225 -0.023 20 0 BBADLO C[C@H]1C[N@@H+](CC(=O)Nc2nncs2)C[C@@H]1O ZINC000351781862 136254400 /nfs/dbraw/zinc/25/44/00/136254400.db2.gz PHCCUYCACZEEQK-BQBZGAKWSA-N 1 2 242.304 -0.211 20 0 BBADLO C[C@H]1C[N@H+](CC(=O)Nc2nncs2)C[C@@H]1O ZINC000351781862 136254399 /nfs/dbraw/zinc/25/43/99/136254399.db2.gz PHCCUYCACZEEQK-BQBZGAKWSA-N 1 2 242.304 -0.211 20 0 BBADLO C[C@H]1C[N@@H+](CC(=O)Nc2nncs2)C[C@H]1O ZINC000351781863 136254183 /nfs/dbraw/zinc/25/41/83/136254183.db2.gz PHCCUYCACZEEQK-NKWVEPMBSA-N 1 2 242.304 -0.211 20 0 BBADLO C[C@H]1C[N@H+](CC(=O)Nc2nncs2)C[C@H]1O ZINC000351781863 136254182 /nfs/dbraw/zinc/25/41/82/136254182.db2.gz PHCCUYCACZEEQK-NKWVEPMBSA-N 1 2 242.304 -0.211 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)Nc2nncs2)C[C@H]1O ZINC000351781864 136254023 /nfs/dbraw/zinc/25/40/23/136254023.db2.gz PHCCUYCACZEEQK-RNFRBKRXSA-N 1 2 242.304 -0.211 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)Nc2nncs2)C[C@H]1O ZINC000351781864 136254022 /nfs/dbraw/zinc/25/40/22/136254022.db2.gz PHCCUYCACZEEQK-RNFRBKRXSA-N 1 2 242.304 -0.211 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)Nc2nncs2)C[C@@H]1O ZINC000351782248 136254095 /nfs/dbraw/zinc/25/40/95/136254095.db2.gz PHCCUYCACZEEQK-RQJHMYQMSA-N 1 2 242.304 -0.211 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)Nc2nncs2)C[C@@H]1O ZINC000351782248 136254094 /nfs/dbraw/zinc/25/40/94/136254094.db2.gz PHCCUYCACZEEQK-RQJHMYQMSA-N 1 2 242.304 -0.211 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@@H]1O ZINC000351804733 176313536 /nfs/dbraw/zinc/31/35/36/176313536.db2.gz AQKMIYUHHKLUHG-APPZFPTMSA-N 1 2 223.280 -0.179 20 0 BBADLO C[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@@H]1O ZINC000351804733 176313534 /nfs/dbraw/zinc/31/35/34/176313534.db2.gz AQKMIYUHHKLUHG-APPZFPTMSA-N 1 2 223.280 -0.179 20 0 BBADLO C[C@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@@H]1O ZINC000351804734 177272442 /nfs/dbraw/zinc/27/24/42/177272442.db2.gz AQKMIYUHHKLUHG-CBAPKCEASA-N 1 2 223.280 -0.179 20 0 BBADLO C[C@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@@H]1O ZINC000351804734 177272441 /nfs/dbraw/zinc/27/24/41/177272441.db2.gz AQKMIYUHHKLUHG-CBAPKCEASA-N 1 2 223.280 -0.179 20 0 BBADLO C[C@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1O ZINC000351804735 177272397 /nfs/dbraw/zinc/27/23/97/177272397.db2.gz AQKMIYUHHKLUHG-IONNQARKSA-N 1 2 223.280 -0.179 20 0 BBADLO C[C@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1O ZINC000351804735 177272396 /nfs/dbraw/zinc/27/23/96/177272396.db2.gz AQKMIYUHHKLUHG-IONNQARKSA-N 1 2 223.280 -0.179 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1O ZINC000351804736 176312957 /nfs/dbraw/zinc/31/29/57/176312957.db2.gz AQKMIYUHHKLUHG-VXNVDRBHSA-N 1 2 223.280 -0.179 20 0 BBADLO C[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1O ZINC000351804736 176312956 /nfs/dbraw/zinc/31/29/56/176312956.db2.gz AQKMIYUHHKLUHG-VXNVDRBHSA-N 1 2 223.280 -0.179 20 0 BBADLO COC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)C(=O)OC ZINC000351813221 136254410 /nfs/dbraw/zinc/25/44/10/136254410.db2.gz VGIWJISMCMFZSO-MRVPVSSYSA-N 1 2 241.247 -0.364 20 0 BBADLO COC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)C(=O)OC ZINC000351813224 136254682 /nfs/dbraw/zinc/25/46/82/136254682.db2.gz VGIWJISMCMFZSO-QMMMGPOBSA-N 1 2 241.247 -0.364 20 0 BBADLO CC(C)[C@@H](O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000351818995 136255847 /nfs/dbraw/zinc/25/58/47/136255847.db2.gz JTDACWZIFBQALF-LLVKDONJSA-N 1 2 244.335 -0.206 20 0 BBADLO CC(C)[C@H](O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000351818996 136255997 /nfs/dbraw/zinc/25/59/97/136255997.db2.gz JTDACWZIFBQALF-NSHDSACASA-N 1 2 244.335 -0.206 20 0 BBADLO C[C@H](C(=O)N1C[C@@H](C)[C@H](O)C1)[NH+]1CCOCC1 ZINC000351848960 136257020 /nfs/dbraw/zinc/25/70/20/136257020.db2.gz CRUHODUECZVPCO-GMTAPVOTSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@H](C(=O)N1C[C@@H](C)[C@@H](O)C1)[NH+]1CCOCC1 ZINC000351848961 136257238 /nfs/dbraw/zinc/25/72/38/136257238.db2.gz CRUHODUECZVPCO-MXWKQRLJSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H](C(=O)N1C[C@@H](C)[C@H](O)C1)[NH+]1CCOCC1 ZINC000351848962 136257412 /nfs/dbraw/zinc/25/74/12/136257412.db2.gz CRUHODUECZVPCO-OUAUKWLOSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H](C(=O)N1C[C@@H](C)[C@@H](O)C1)[NH+]1CCOCC1 ZINC000351848963 136257221 /nfs/dbraw/zinc/25/72/21/136257221.db2.gz CRUHODUECZVPCO-VWYCJHECSA-N 1 2 242.319 -0.454 20 0 BBADLO CNC(=O)C[N@@H+](C)Cc1cnc(C)nc1 ZINC000351866280 356101753 /nfs/dbraw/zinc/10/17/53/356101753.db2.gz WNYFSQCGEXNICS-UHFFFAOYSA-N 1 2 208.265 -0.037 20 0 BBADLO CNC(=O)C[N@H+](C)Cc1cnc(C)nc1 ZINC000351866280 356101749 /nfs/dbraw/zinc/10/17/49/356101749.db2.gz WNYFSQCGEXNICS-UHFFFAOYSA-N 1 2 208.265 -0.037 20 0 BBADLO CNC(=O)CC[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000351895667 356166032 /nfs/dbraw/zinc/16/60/32/356166032.db2.gz FXJWAEPRGHAVJZ-CLAHSXSESA-N 1 2 218.322 -0.425 20 0 BBADLO CNC(=O)CC[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000351895667 356166027 /nfs/dbraw/zinc/16/60/27/356166027.db2.gz FXJWAEPRGHAVJZ-CLAHSXSESA-N 1 2 218.322 -0.425 20 0 BBADLO CNC(=O)CC[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000351895668 356165959 /nfs/dbraw/zinc/16/59/59/356165959.db2.gz FXJWAEPRGHAVJZ-RMLUDKJBSA-N 1 2 218.322 -0.425 20 0 BBADLO CNC(=O)CC[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000351895668 356165955 /nfs/dbraw/zinc/16/59/55/356165955.db2.gz FXJWAEPRGHAVJZ-RMLUDKJBSA-N 1 2 218.322 -0.425 20 0 BBADLO CNC(=O)CC[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000351895669 356165570 /nfs/dbraw/zinc/16/55/70/356165570.db2.gz FXJWAEPRGHAVJZ-RTHLEPHNSA-N 1 2 218.322 -0.425 20 0 BBADLO CNC(=O)CC[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000351895669 356165569 /nfs/dbraw/zinc/16/55/69/356165569.db2.gz FXJWAEPRGHAVJZ-RTHLEPHNSA-N 1 2 218.322 -0.425 20 0 BBADLO CNC(=O)CC[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000351895670 356166166 /nfs/dbraw/zinc/16/61/66/356166166.db2.gz FXJWAEPRGHAVJZ-XLKFXECMSA-N 1 2 218.322 -0.425 20 0 BBADLO CNC(=O)CC[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000351895670 356166161 /nfs/dbraw/zinc/16/61/61/356166161.db2.gz FXJWAEPRGHAVJZ-XLKFXECMSA-N 1 2 218.322 -0.425 20 0 BBADLO CNC(=O)NC(=O)CC[N@@H+](C)Cc1ccon1 ZINC000351899318 356171891 /nfs/dbraw/zinc/17/18/91/356171891.db2.gz UOSZNJDIMCJZLT-UHFFFAOYSA-N 1 2 240.263 -0.048 20 0 BBADLO CNC(=O)NC(=O)CC[N@H+](C)Cc1ccon1 ZINC000351899318 356171888 /nfs/dbraw/zinc/17/18/88/356171888.db2.gz UOSZNJDIMCJZLT-UHFFFAOYSA-N 1 2 240.263 -0.048 20 0 BBADLO C[N@@H+](CCC(=O)NC(N)=O)Cc1ccon1 ZINC000351901217 356173247 /nfs/dbraw/zinc/17/32/47/356173247.db2.gz GBRZFBFWJAJZFP-UHFFFAOYSA-N 1 2 226.236 -0.309 20 0 BBADLO C[N@H+](CCC(=O)NC(N)=O)Cc1ccon1 ZINC000351901217 356173244 /nfs/dbraw/zinc/17/32/44/356173244.db2.gz GBRZFBFWJAJZFP-UHFFFAOYSA-N 1 2 226.236 -0.309 20 0 BBADLO CNc1[nH+]cnc2c1cnn2Cc1nnn(C)n1 ZINC000351918841 134005161 /nfs/dbraw/zinc/00/51/61/134005161.db2.gz KEQPQHVBRPRYSY-UHFFFAOYSA-N 1 2 245.250 -0.560 20 0 BBADLO CNc1[nH+]cnc2c1cnn2CC(=O)N(C)C ZINC000351919191 134005548 /nfs/dbraw/zinc/00/55/48/134005548.db2.gz NJMQHRFSLUNDJM-UHFFFAOYSA-N 1 2 234.263 -0.044 20 0 BBADLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)N1CCC1 ZINC000351921164 134006749 /nfs/dbraw/zinc/00/67/49/134006749.db2.gz LSFJGSNFWXMRLQ-SECBINFHSA-N 1 2 233.337 -0.427 20 0 BBADLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)N1CCC1 ZINC000351921164 134006748 /nfs/dbraw/zinc/00/67/48/134006748.db2.gz LSFJGSNFWXMRLQ-SECBINFHSA-N 1 2 233.337 -0.427 20 0 BBADLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)N1CCC1 ZINC000351921165 134006792 /nfs/dbraw/zinc/00/67/92/134006792.db2.gz LSFJGSNFWXMRLQ-VIFPVBQESA-N 1 2 233.337 -0.427 20 0 BBADLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)N1CCC1 ZINC000351921165 134006791 /nfs/dbraw/zinc/00/67/91/134006791.db2.gz LSFJGSNFWXMRLQ-VIFPVBQESA-N 1 2 233.337 -0.427 20 0 BBADLO COCCN1CC[N@@H+](CC2(C)COC2)CC1=O ZINC000351921177 134006785 /nfs/dbraw/zinc/00/67/85/134006785.db2.gz MANJNDFMYCSWSA-UHFFFAOYSA-N 1 2 242.319 -0.187 20 0 BBADLO COCCN1CC[N@H+](CC2(C)COC2)CC1=O ZINC000351921177 134006784 /nfs/dbraw/zinc/00/67/84/134006784.db2.gz MANJNDFMYCSWSA-UHFFFAOYSA-N 1 2 242.319 -0.187 20 0 BBADLO Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H](O)C2)no1 ZINC000351921488 412352430 /nfs/dbraw/zinc/35/24/30/412352430.db2.gz QCGPSZGZERAPOK-APPZFPTMSA-N 1 2 239.275 0.234 20 0 BBADLO Cc1cc(NC(=O)C[N@H+]2C[C@@H](C)[C@@H](O)C2)no1 ZINC000351921488 412352426 /nfs/dbraw/zinc/35/24/26/412352426.db2.gz QCGPSZGZERAPOK-APPZFPTMSA-N 1 2 239.275 0.234 20 0 BBADLO Cc1cc(NC(=O)C[N@H+]2C[C@H](O)[C@@H](C)C2)no1 ZINC000351921489 412354680 /nfs/dbraw/zinc/35/46/80/412354680.db2.gz QCGPSZGZERAPOK-CBAPKCEASA-N 1 2 239.275 0.234 20 0 BBADLO Cc1cc(NC(=O)C[N@@H+]2C[C@H](O)[C@@H](C)C2)no1 ZINC000351921489 412354677 /nfs/dbraw/zinc/35/46/77/412354677.db2.gz QCGPSZGZERAPOK-CBAPKCEASA-N 1 2 239.275 0.234 20 0 BBADLO Cc1cc(NC(=O)C[N@@H+]2C[C@H](C)[C@H](O)C2)no1 ZINC000351921490 412354628 /nfs/dbraw/zinc/35/46/28/412354628.db2.gz QCGPSZGZERAPOK-IONNQARKSA-N 1 2 239.275 0.234 20 0 BBADLO Cc1cc(NC(=O)C[N@H+]2C[C@H](C)[C@H](O)C2)no1 ZINC000351921490 412354623 /nfs/dbraw/zinc/35/46/23/412354623.db2.gz QCGPSZGZERAPOK-IONNQARKSA-N 1 2 239.275 0.234 20 0 BBADLO Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](O)C2)no1 ZINC000351921491 412352471 /nfs/dbraw/zinc/35/24/71/412352471.db2.gz QCGPSZGZERAPOK-VXNVDRBHSA-N 1 2 239.275 0.234 20 0 BBADLO Cc1cc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](O)C2)no1 ZINC000351921491 412352469 /nfs/dbraw/zinc/35/24/69/412352469.db2.gz QCGPSZGZERAPOK-VXNVDRBHSA-N 1 2 239.275 0.234 20 0 BBADLO CCNC(=O)CC[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000351924428 535789410 /nfs/dbraw/zinc/78/94/10/535789410.db2.gz FZCRWDBFUQYMHT-BJOHPYRUSA-N 1 2 232.349 -0.035 20 0 BBADLO CCNC(=O)CC[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000351924428 535789408 /nfs/dbraw/zinc/78/94/08/535789408.db2.gz FZCRWDBFUQYMHT-BJOHPYRUSA-N 1 2 232.349 -0.035 20 0 BBADLO CCNC(=O)CC[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000351924429 535789445 /nfs/dbraw/zinc/78/94/45/535789445.db2.gz FZCRWDBFUQYMHT-PSLIRLAXSA-N 1 2 232.349 -0.035 20 0 BBADLO CCNC(=O)CC[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000351924429 535789443 /nfs/dbraw/zinc/78/94/43/535789443.db2.gz FZCRWDBFUQYMHT-PSLIRLAXSA-N 1 2 232.349 -0.035 20 0 BBADLO CCNC(=O)CC[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000351924430 535789610 /nfs/dbraw/zinc/78/96/10/535789610.db2.gz FZCRWDBFUQYMHT-RFAUZJTJSA-N 1 2 232.349 -0.035 20 0 BBADLO CCNC(=O)CC[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000351924430 535789609 /nfs/dbraw/zinc/78/96/09/535789609.db2.gz FZCRWDBFUQYMHT-RFAUZJTJSA-N 1 2 232.349 -0.035 20 0 BBADLO CCNC(=O)CC[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000351924431 535789682 /nfs/dbraw/zinc/78/96/82/535789682.db2.gz FZCRWDBFUQYMHT-VFZGTOFNSA-N 1 2 232.349 -0.035 20 0 BBADLO CCNC(=O)CC[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000351924431 535789681 /nfs/dbraw/zinc/78/96/81/535789681.db2.gz FZCRWDBFUQYMHT-VFZGTOFNSA-N 1 2 232.349 -0.035 20 0 BBADLO C[C@H]1C[N@@H+](CCC(=O)N(C)C)CC[S@@]1=O ZINC000351928870 134009651 /nfs/dbraw/zinc/00/96/51/134009651.db2.gz VEQGXTTWWQWWNT-VFZGTOFNSA-N 1 2 232.349 -0.083 20 0 BBADLO C[C@H]1C[N@H+](CCC(=O)N(C)C)CC[S@@]1=O ZINC000351928870 134009650 /nfs/dbraw/zinc/00/96/50/134009650.db2.gz VEQGXTTWWQWWNT-VFZGTOFNSA-N 1 2 232.349 -0.083 20 0 BBADLO C[C@@H]1C[N@@H+](CCC(=O)N(C)C)CC[S@]1=O ZINC000351928871 134009645 /nfs/dbraw/zinc/00/96/45/134009645.db2.gz VEQGXTTWWQWWNT-RFAUZJTJSA-N 1 2 232.349 -0.083 20 0 BBADLO C[C@@H]1C[N@H+](CCC(=O)N(C)C)CC[S@]1=O ZINC000351928871 134009644 /nfs/dbraw/zinc/00/96/44/134009644.db2.gz VEQGXTTWWQWWNT-RFAUZJTJSA-N 1 2 232.349 -0.083 20 0 BBADLO C[C@@H]1C[N@@H+](CCC(=O)N(C)C)CC[S@@]1=O ZINC000351928872 134009595 /nfs/dbraw/zinc/00/95/95/134009595.db2.gz VEQGXTTWWQWWNT-PSLIRLAXSA-N 1 2 232.349 -0.083 20 0 BBADLO C[C@@H]1C[N@H+](CCC(=O)N(C)C)CC[S@@]1=O ZINC000351928872 134009594 /nfs/dbraw/zinc/00/95/94/134009594.db2.gz VEQGXTTWWQWWNT-PSLIRLAXSA-N 1 2 232.349 -0.083 20 0 BBADLO C[C@H]1C[N@@H+](CCC(=O)N(C)C)CC[S@]1=O ZINC000351928873 134009380 /nfs/dbraw/zinc/00/93/80/134009380.db2.gz VEQGXTTWWQWWNT-BJOHPYRUSA-N 1 2 232.349 -0.083 20 0 BBADLO C[C@H]1C[N@H+](CCC(=O)N(C)C)CC[S@]1=O ZINC000351928873 134009379 /nfs/dbraw/zinc/00/93/79/134009379.db2.gz VEQGXTTWWQWWNT-BJOHPYRUSA-N 1 2 232.349 -0.083 20 0 BBADLO C[C@@H](O)C[N@@H+](CCO)Cc1ccon1 ZINC000351932951 134014269 /nfs/dbraw/zinc/01/42/69/134014269.db2.gz ABOHHGPHVOAGCF-MRVPVSSYSA-N 1 2 200.238 -0.150 20 0 BBADLO C[C@@H](O)C[N@H+](CCO)Cc1ccon1 ZINC000351932951 134014268 /nfs/dbraw/zinc/01/42/68/134014268.db2.gz ABOHHGPHVOAGCF-MRVPVSSYSA-N 1 2 200.238 -0.150 20 0 BBADLO C[C@H](O)C[N@@H+](CCO)Cc1ccon1 ZINC000351932952 134014514 /nfs/dbraw/zinc/01/45/14/134014514.db2.gz ABOHHGPHVOAGCF-QMMMGPOBSA-N 1 2 200.238 -0.150 20 0 BBADLO C[C@H](O)C[N@H+](CCO)Cc1ccon1 ZINC000351932952 134014513 /nfs/dbraw/zinc/01/45/13/134014513.db2.gz ABOHHGPHVOAGCF-QMMMGPOBSA-N 1 2 200.238 -0.150 20 0 BBADLO C[C@H]1C[N@@H+](CCOCCO)CC[S@@]1=O ZINC000351936245 134014421 /nfs/dbraw/zinc/01/44/21/134014421.db2.gz KZEJBVRPLFOIJW-XPTSAGLGSA-N 1 2 221.322 -0.552 20 0 BBADLO C[C@H]1C[N@H+](CCOCCO)CC[S@@]1=O ZINC000351936245 134014420 /nfs/dbraw/zinc/01/44/20/134014420.db2.gz KZEJBVRPLFOIJW-XPTSAGLGSA-N 1 2 221.322 -0.552 20 0 BBADLO C[C@@H]1C[N@@H+](CCOCCO)CC[S@]1=O ZINC000351936246 134014152 /nfs/dbraw/zinc/01/41/52/134014152.db2.gz KZEJBVRPLFOIJW-YMTOWFKASA-N 1 2 221.322 -0.552 20 0 BBADLO C[C@@H]1C[N@H+](CCOCCO)CC[S@]1=O ZINC000351936246 134014151 /nfs/dbraw/zinc/01/41/51/134014151.db2.gz KZEJBVRPLFOIJW-YMTOWFKASA-N 1 2 221.322 -0.552 20 0 BBADLO C[C@H]1C[N@@H+](CCOCCO)CC[S@]1=O ZINC000351936247 134014132 /nfs/dbraw/zinc/01/41/32/134014132.db2.gz KZEJBVRPLFOIJW-LKFCYVNXSA-N 1 2 221.322 -0.552 20 0 BBADLO C[C@H]1C[N@H+](CCOCCO)CC[S@]1=O ZINC000351936247 134014131 /nfs/dbraw/zinc/01/41/31/134014131.db2.gz KZEJBVRPLFOIJW-LKFCYVNXSA-N 1 2 221.322 -0.552 20 0 BBADLO C[C@@H]1C[N@@H+](CCOCCO)CC[S@@]1=O ZINC000351936248 134014902 /nfs/dbraw/zinc/01/49/02/134014902.db2.gz KZEJBVRPLFOIJW-OTYXRUKQSA-N 1 2 221.322 -0.552 20 0 BBADLO C[C@@H]1C[N@H+](CCOCCO)CC[S@@]1=O ZINC000351936248 134014901 /nfs/dbraw/zinc/01/49/01/134014901.db2.gz KZEJBVRPLFOIJW-OTYXRUKQSA-N 1 2 221.322 -0.552 20 0 BBADLO C[C@@H](O)C[N@@H+](CCO)Cc1nnc(C2CC2)[nH]1 ZINC000351948297 134015795 /nfs/dbraw/zinc/01/57/95/134015795.db2.gz CVXUOQXGJVPBSR-MRVPVSSYSA-N 1 2 240.307 -0.143 20 0 BBADLO C[C@@H](O)C[N@H+](CCO)Cc1nnc(C2CC2)[nH]1 ZINC000351948297 134015794 /nfs/dbraw/zinc/01/57/94/134015794.db2.gz CVXUOQXGJVPBSR-MRVPVSSYSA-N 1 2 240.307 -0.143 20 0 BBADLO C[C@H](O)C[N@@H+](CCO)Cc1nnc(C2CC2)[nH]1 ZINC000351948298 134016176 /nfs/dbraw/zinc/01/61/76/134016176.db2.gz CVXUOQXGJVPBSR-QMMMGPOBSA-N 1 2 240.307 -0.143 20 0 BBADLO C[C@H](O)C[N@H+](CCO)Cc1nnc(C2CC2)[nH]1 ZINC000351948298 134016175 /nfs/dbraw/zinc/01/61/75/134016175.db2.gz CVXUOQXGJVPBSR-QMMMGPOBSA-N 1 2 240.307 -0.143 20 0 BBADLO C[C@@H](O)C[N@@H+](CCO)Cc1nc(N(C)C)no1 ZINC000351948383 134016181 /nfs/dbraw/zinc/01/61/81/134016181.db2.gz DXXBZPJZZJUYMF-MRVPVSSYSA-N 1 2 244.295 -0.689 20 0 BBADLO C[C@@H](O)C[N@H+](CCO)Cc1nc(N(C)C)no1 ZINC000351948383 134016180 /nfs/dbraw/zinc/01/61/80/134016180.db2.gz DXXBZPJZZJUYMF-MRVPVSSYSA-N 1 2 244.295 -0.689 20 0 BBADLO C[C@H](O)C[N@@H+](CCO)Cc1nc(N(C)C)no1 ZINC000351948384 134015962 /nfs/dbraw/zinc/01/59/62/134015962.db2.gz DXXBZPJZZJUYMF-QMMMGPOBSA-N 1 2 244.295 -0.689 20 0 BBADLO C[C@H](O)C[N@H+](CCO)Cc1nc(N(C)C)no1 ZINC000351948384 134015961 /nfs/dbraw/zinc/01/59/61/134015961.db2.gz DXXBZPJZZJUYMF-QMMMGPOBSA-N 1 2 244.295 -0.689 20 0 BBADLO CCc1nnc(C[N@@H+](CCO)C[C@@H](C)O)[nH]1 ZINC000351950758 134015923 /nfs/dbraw/zinc/01/59/23/134015923.db2.gz XCQJTABRSQPFKS-MRVPVSSYSA-N 1 2 228.296 -0.458 20 0 BBADLO CCc1nnc(C[N@H+](CCO)C[C@@H](C)O)[nH]1 ZINC000351950758 134015922 /nfs/dbraw/zinc/01/59/22/134015922.db2.gz XCQJTABRSQPFKS-MRVPVSSYSA-N 1 2 228.296 -0.458 20 0 BBADLO CCc1nnc(C[N@@H+](CCO)C[C@H](C)O)[nH]1 ZINC000351950759 134016255 /nfs/dbraw/zinc/01/62/55/134016255.db2.gz XCQJTABRSQPFKS-QMMMGPOBSA-N 1 2 228.296 -0.458 20 0 BBADLO CCc1nnc(C[N@H+](CCO)C[C@H](C)O)[nH]1 ZINC000351950759 134016254 /nfs/dbraw/zinc/01/62/54/134016254.db2.gz XCQJTABRSQPFKS-QMMMGPOBSA-N 1 2 228.296 -0.458 20 0 BBADLO C[N@H+]1CCO[C@H]2CN(Cc3ncccn3)C[C@H]21 ZINC000351992132 536445265 /nfs/dbraw/zinc/44/52/65/536445265.db2.gz BVWFTPRKFNKCID-MNOVXSKESA-N 1 2 234.303 -0.009 20 0 BBADLO C[N@@H+]1CCO[C@H]2CN(Cc3ncccn3)C[C@H]21 ZINC000351992132 536445261 /nfs/dbraw/zinc/44/52/61/536445261.db2.gz BVWFTPRKFNKCID-MNOVXSKESA-N 1 2 234.303 -0.009 20 0 BBADLO C[C@@H](F)CC[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000352006161 134034638 /nfs/dbraw/zinc/03/46/38/134034638.db2.gz SYHJRBGHEMUQHD-MRVPVSSYSA-N 1 2 239.316 -0.444 20 0 BBADLO C[C@H](F)CC[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000352006163 134034563 /nfs/dbraw/zinc/03/45/63/134034563.db2.gz SYHJRBGHEMUQHD-QMMMGPOBSA-N 1 2 239.316 -0.444 20 0 BBADLO COC(=O)c1cc(C(C)(C)[NH2+]CC(N)=O)no1 ZINC000352019829 134037409 /nfs/dbraw/zinc/03/74/09/134037409.db2.gz WCQDFKQFZVZOIV-UHFFFAOYSA-N 1 2 241.247 -0.229 20 0 BBADLO COCC[N@@H+](Cc1nc(N)nc(N)n1)C1CC1 ZINC000352022696 134037483 /nfs/dbraw/zinc/03/74/83/134037483.db2.gz QHWKELKIGMGAIL-UHFFFAOYSA-N 1 2 238.295 -0.692 20 0 BBADLO COCC[N@H+](Cc1nc(N)nc(N)n1)C1CC1 ZINC000352022696 134037482 /nfs/dbraw/zinc/03/74/82/134037482.db2.gz QHWKELKIGMGAIL-UHFFFAOYSA-N 1 2 238.295 -0.692 20 0 BBADLO COC(=O)c1cnoc1C[NH+](CCO)CCO ZINC000352024910 387009151 /nfs/dbraw/zinc/00/91/51/387009151.db2.gz KBIBCKSAKORGHV-UHFFFAOYSA-N 1 2 244.247 -0.752 20 0 BBADLO CC(C)[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC000352053872 538713182 /nfs/dbraw/zinc/71/31/82/538713182.db2.gz WXMLAJLYNRZLJL-JTQLQIEISA-N 1 2 238.291 -0.032 20 0 BBADLO CC(C)[C@H](NC(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC000352053872 538713172 /nfs/dbraw/zinc/71/31/72/538713172.db2.gz WXMLAJLYNRZLJL-JTQLQIEISA-N 1 2 238.291 -0.032 20 0 BBADLO CC(C)[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC000352053873 538712404 /nfs/dbraw/zinc/71/24/04/538712404.db2.gz WXMLAJLYNRZLJL-SNVBAGLBSA-N 1 2 238.291 -0.032 20 0 BBADLO CC(C)[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC000352053873 538712395 /nfs/dbraw/zinc/71/23/95/538712395.db2.gz WXMLAJLYNRZLJL-SNVBAGLBSA-N 1 2 238.291 -0.032 20 0 BBADLO CC(=O)N1CC(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000352064596 538717298 /nfs/dbraw/zinc/71/72/98/538717298.db2.gz AFOBRQIHEATPFA-UHFFFAOYSA-N 1 2 236.275 -0.311 20 0 BBADLO CC(=O)N1CC(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000352064596 538717295 /nfs/dbraw/zinc/71/72/95/538717295.db2.gz AFOBRQIHEATPFA-UHFFFAOYSA-N 1 2 236.275 -0.311 20 0 BBADLO CC(C)[NH+]1CC(NC(=O)[C@H]2CN(C)CCO2)C1 ZINC000352074304 134055242 /nfs/dbraw/zinc/05/52/42/134055242.db2.gz HYQXWFUOYMGVTO-LLVKDONJSA-N 1 2 241.335 -0.474 20 0 BBADLO CC(C)[NH+]1CC(NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC000352074305 134055352 /nfs/dbraw/zinc/05/53/52/134055352.db2.gz HYQXWFUOYMGVTO-NSHDSACASA-N 1 2 241.335 -0.474 20 0 BBADLO CC(C)[NH+]1CC(NC(=O)CCc2nc[nH]n2)C1 ZINC000352078013 134057073 /nfs/dbraw/zinc/05/70/73/134057073.db2.gz WPNCSSCOFKIEBO-UHFFFAOYSA-N 1 2 237.307 -0.054 20 0 BBADLO Cn1nncc1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000352085429 134061049 /nfs/dbraw/zinc/06/10/49/134061049.db2.gz RSBMDQNPXPZBEB-MNOVXSKESA-N 1 2 237.307 -0.670 20 0 BBADLO Cn1nncc1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000352085429 134061048 /nfs/dbraw/zinc/06/10/48/134061048.db2.gz RSBMDQNPXPZBEB-MNOVXSKESA-N 1 2 237.307 -0.670 20 0 BBADLO Cn1nncc1CN1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000352085429 134061047 /nfs/dbraw/zinc/06/10/47/134061047.db2.gz RSBMDQNPXPZBEB-MNOVXSKESA-N 1 2 237.307 -0.670 20 0 BBADLO Cn1nncc1CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000352085429 134061046 /nfs/dbraw/zinc/06/10/46/134061046.db2.gz RSBMDQNPXPZBEB-MNOVXSKESA-N 1 2 237.307 -0.670 20 0 BBADLO CC(C)[C@H](O)C(=O)NC[C@H]1C[N@@H+](C)CCO1 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C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCC1=O ZINC000352122952 134075062 /nfs/dbraw/zinc/07/50/62/134075062.db2.gz VCGIDTURSFBSIO-KOLCDFICSA-N 1 2 240.303 -0.246 20 0 BBADLO C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCC1=O ZINC000352122952 134075061 /nfs/dbraw/zinc/07/50/61/134075061.db2.gz VCGIDTURSFBSIO-KOLCDFICSA-N 1 2 240.303 -0.246 20 0 BBADLO C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCC1=O ZINC000352122953 134075127 /nfs/dbraw/zinc/07/51/27/134075127.db2.gz VCGIDTURSFBSIO-MWLCHTKSSA-N 1 2 240.303 -0.246 20 0 BBADLO C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCC1=O ZINC000352122953 134075126 /nfs/dbraw/zinc/07/51/26/134075126.db2.gz VCGIDTURSFBSIO-MWLCHTKSSA-N 1 2 240.303 -0.246 20 0 BBADLO C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCC1=O ZINC000352122954 134074960 /nfs/dbraw/zinc/07/49/60/134074960.db2.gz VCGIDTURSFBSIO-ONGXEEELSA-N 1 2 240.303 -0.246 20 0 BBADLO C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCC1=O ZINC000352122954 134074959 /nfs/dbraw/zinc/07/49/59/134074959.db2.gz 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XWKLUTDHAFFMIX-NXEZZACHSA-N 1 2 247.364 -0.039 20 0 BBADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)N1CCC1 ZINC000352164835 134090159 /nfs/dbraw/zinc/09/01/59/134090159.db2.gz XWKLUTDHAFFMIX-UWVGGRQHSA-N 1 2 247.364 -0.039 20 0 BBADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)N1CCC1 ZINC000352164835 134090158 /nfs/dbraw/zinc/09/01/58/134090158.db2.gz XWKLUTDHAFFMIX-UWVGGRQHSA-N 1 2 247.364 -0.039 20 0 BBADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)N1CCC1 ZINC000352164836 134090345 /nfs/dbraw/zinc/09/03/45/134090345.db2.gz XWKLUTDHAFFMIX-VHSXEESVSA-N 1 2 247.364 -0.039 20 0 BBADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)N1CCC1 ZINC000352164836 134090344 /nfs/dbraw/zinc/09/03/44/134090344.db2.gz XWKLUTDHAFFMIX-VHSXEESVSA-N 1 2 247.364 -0.039 20 0 BBADLO C[C@@H]1CN(S(=O)(=O)N2CCC2)[C@@H](C)C[N@H+]1C ZINC000352164837 134090254 /nfs/dbraw/zinc/09/02/54/134090254.db2.gz XWKLUTDHAFFMIX-ZJUUUORDSA-N 1 2 247.364 -0.039 20 0 BBADLO C[C@@H]1CN(S(=O)(=O)N2CCC2)[C@@H](C)C[N@@H+]1C ZINC000352164837 134090253 /nfs/dbraw/zinc/09/02/53/134090253.db2.gz XWKLUTDHAFFMIX-ZJUUUORDSA-N 1 2 247.364 -0.039 20 0 BBADLO C[N@H+]1CCN(S(=O)(=O)N2CCC2)C(C)(C)C1 ZINC000352170153 134090792 /nfs/dbraw/zinc/09/07/92/134090792.db2.gz AGYOQGDYXYQVGI-UHFFFAOYSA-N 1 2 247.364 -0.037 20 0 BBADLO C[N@@H+]1CCN(S(=O)(=O)N2CCC2)C(C)(C)C1 ZINC000352170153 134090791 /nfs/dbraw/zinc/09/07/91/134090791.db2.gz AGYOQGDYXYQVGI-UHFFFAOYSA-N 1 2 247.364 -0.037 20 0 BBADLO O=C(NCc1[nH]cc[nH+]1)Nc1cccnn1 ZINC000352172261 412340308 /nfs/dbraw/zinc/34/03/08/412340308.db2.gz RPUHVFABFVDOTJ-UHFFFAOYSA-N 1 2 218.220 0.521 20 0 BBADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)N1CCC1 ZINC000352172466 134090890 /nfs/dbraw/zinc/09/08/90/134090890.db2.gz SYMNUWQEZRISCN-NXEZZACHSA-N 1 2 247.364 -0.039 20 0 BBADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)N1CCC1 ZINC000352172466 134090889 /nfs/dbraw/zinc/09/08/89/134090889.db2.gz SYMNUWQEZRISCN-NXEZZACHSA-N 1 2 247.364 -0.039 20 0 BBADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)N1CCC1 ZINC000352172467 134090938 /nfs/dbraw/zinc/09/09/38/134090938.db2.gz SYMNUWQEZRISCN-UWVGGRQHSA-N 1 2 247.364 -0.039 20 0 BBADLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)N1CCC1 ZINC000352172467 134090937 /nfs/dbraw/zinc/09/09/37/134090937.db2.gz SYMNUWQEZRISCN-UWVGGRQHSA-N 1 2 247.364 -0.039 20 0 BBADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)N1CCC1 ZINC000352172468 134090969 /nfs/dbraw/zinc/09/09/69/134090969.db2.gz SYMNUWQEZRISCN-VHSXEESVSA-N 1 2 247.364 -0.039 20 0 BBADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)N1CCC1 ZINC000352172468 134090968 /nfs/dbraw/zinc/09/09/68/134090968.db2.gz SYMNUWQEZRISCN-VHSXEESVSA-N 1 2 247.364 -0.039 20 0 BBADLO C[C@@H]1[C@H](C)N(S(=O)(=O)N2CCC2)CC[N@@H+]1C ZINC000352172469 134090953 /nfs/dbraw/zinc/09/09/53/134090953.db2.gz SYMNUWQEZRISCN-ZJUUUORDSA-N 1 2 247.364 -0.039 20 0 BBADLO C[C@@H]1[C@H](C)N(S(=O)(=O)N2CCC2)CC[N@H+]1C ZINC000352172469 134090952 /nfs/dbraw/zinc/09/09/52/134090952.db2.gz SYMNUWQEZRISCN-ZJUUUORDSA-N 1 2 247.364 -0.039 20 0 BBADLO C[N@H+]1CCO[C@H]2CN(C(=O)c3c[nH]cn3)C[C@H]21 ZINC000352184028 134097313 /nfs/dbraw/zinc/09/73/13/134097313.db2.gz LRLSCDOQDKDPRE-ZJUUUORDSA-N 1 2 236.275 -0.435 20 0 BBADLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3c[nH]cn3)C[C@H]21 ZINC000352184028 134097312 /nfs/dbraw/zinc/09/73/12/134097312.db2.gz LRLSCDOQDKDPRE-ZJUUUORDSA-N 1 2 236.275 -0.435 20 0 BBADLO CC[N@H+](Cc1n[nH]c(=O)[nH]1)C[C@H](C)O ZINC000352186786 535391926 /nfs/dbraw/zinc/39/19/26/535391926.db2.gz NXRYVXQRWWJJDM-LURJTMIESA-N 1 2 200.242 -0.287 20 0 BBADLO CC[N@@H+](Cc1n[nH]c(=O)[nH]1)C[C@H](C)O ZINC000352186786 535391923 /nfs/dbraw/zinc/39/19/23/535391923.db2.gz NXRYVXQRWWJJDM-LURJTMIESA-N 1 2 200.242 -0.287 20 0 BBADLO CC[N@H+](Cc1n[nH]c(=O)[nH]1)C[C@@H](C)O ZINC000352186787 535391902 /nfs/dbraw/zinc/39/19/02/535391902.db2.gz NXRYVXQRWWJJDM-ZCFIWIBFSA-N 1 2 200.242 -0.287 20 0 BBADLO CC[N@@H+](Cc1n[nH]c(=O)[nH]1)C[C@@H](C)O ZINC000352186787 535391898 /nfs/dbraw/zinc/39/18/98/535391898.db2.gz NXRYVXQRWWJJDM-ZCFIWIBFSA-N 1 2 200.242 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245.275 -0.452 20 0 BBADLO CCOC(=O)CC[N@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000352204139 134103820 /nfs/dbraw/zinc/10/38/20/134103820.db2.gz DOFNZFHKYNHTEB-DTWKUNHWSA-N 1 2 245.275 -0.452 20 0 BBADLO CCOC(=O)CC[N@@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000352204139 134103819 /nfs/dbraw/zinc/10/38/19/134103819.db2.gz DOFNZFHKYNHTEB-DTWKUNHWSA-N 1 2 245.275 -0.452 20 0 BBADLO CCOC(=O)CC[N@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000352204140 134103815 /nfs/dbraw/zinc/10/38/15/134103815.db2.gz DOFNZFHKYNHTEB-IUCAKERBSA-N 1 2 245.275 -0.452 20 0 BBADLO CCOC(=O)CC[N@@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000352204140 134103814 /nfs/dbraw/zinc/10/38/14/134103814.db2.gz DOFNZFHKYNHTEB-IUCAKERBSA-N 1 2 245.275 -0.452 20 0 BBADLO CCOC(=O)CC[N@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000352204241 134104132 /nfs/dbraw/zinc/10/41/32/134104132.db2.gz DOFNZFHKYNHTEB-RKDXNWHRSA-N 1 2 245.275 -0.452 20 0 BBADLO CCOC(=O)CC[N@@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000352204241 134104131 /nfs/dbraw/zinc/10/41/31/134104131.db2.gz DOFNZFHKYNHTEB-RKDXNWHRSA-N 1 2 245.275 -0.452 20 0 BBADLO COC(=O)[C@@H]1C[C@@H](O)CN1Cc1c[nH]c[nH+]1 ZINC000352210050 134107591 /nfs/dbraw/zinc/10/75/91/134107591.db2.gz HDANUFUIIBDEEN-BDAKNGLRSA-N 1 2 225.248 -0.482 20 0 BBADLO COC(=O)[C@@H]1C[C@@H](O)CN1Cc1c[nH+]c[nH]1 ZINC000352210050 134107590 /nfs/dbraw/zinc/10/75/90/134107590.db2.gz HDANUFUIIBDEEN-BDAKNGLRSA-N 1 2 225.248 -0.482 20 0 BBADLO COC(=O)[C@H]1C[C@H](O)CN1Cc1c[nH]c[nH+]1 ZINC000352210051 134107649 /nfs/dbraw/zinc/10/76/49/134107649.db2.gz HDANUFUIIBDEEN-DTWKUNHWSA-N 1 2 225.248 -0.482 20 0 BBADLO COC(=O)[C@H]1C[C@H](O)CN1Cc1c[nH+]c[nH]1 ZINC000352210051 134107648 /nfs/dbraw/zinc/10/76/48/134107648.db2.gz HDANUFUIIBDEEN-DTWKUNHWSA-N 1 2 225.248 -0.482 20 0 BBADLO COC(=O)[C@@H]1C[C@H](O)CN1Cc1c[nH]c[nH+]1 ZINC000352210052 134107690 /nfs/dbraw/zinc/10/76/90/134107690.db2.gz HDANUFUIIBDEEN-IUCAKERBSA-N 1 2 225.248 -0.482 20 0 BBADLO COC(=O)[C@@H]1C[C@H](O)CN1Cc1c[nH+]c[nH]1 ZINC000352210052 134107689 /nfs/dbraw/zinc/10/76/89/134107689.db2.gz HDANUFUIIBDEEN-IUCAKERBSA-N 1 2 225.248 -0.482 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)CN1Cc1c[nH]c[nH+]1 ZINC000352210153 134107799 /nfs/dbraw/zinc/10/77/99/134107799.db2.gz HDANUFUIIBDEEN-RKDXNWHRSA-N 1 2 225.248 -0.482 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)CN1Cc1c[nH+]c[nH]1 ZINC000352210153 134107798 /nfs/dbraw/zinc/10/77/98/134107798.db2.gz HDANUFUIIBDEEN-RKDXNWHRSA-N 1 2 225.248 -0.482 20 0 BBADLO CC[N@@H+](C[C@@H](C)O)[C@H](C)c1nnnn1C ZINC000352210256 134107615 /nfs/dbraw/zinc/10/76/15/134107615.db2.gz FQPOXVMTVCRZBV-HTQZYQBOSA-N 1 2 213.285 -0.026 20 0 BBADLO CC[N@H+](C[C@@H](C)O)[C@H](C)c1nnnn1C ZINC000352210256 134107614 /nfs/dbraw/zinc/10/76/14/134107614.db2.gz FQPOXVMTVCRZBV-HTQZYQBOSA-N 1 2 213.285 -0.026 20 0 BBADLO CC[N@@H+](C[C@H](C)O)[C@H](C)c1nnnn1C ZINC000352210257 134107706 /nfs/dbraw/zinc/10/77/06/134107706.db2.gz FQPOXVMTVCRZBV-JGVFFNPUSA-N 1 2 213.285 -0.026 20 0 BBADLO CC[N@H+](C[C@H](C)O)[C@H](C)c1nnnn1C ZINC000352210257 134107705 /nfs/dbraw/zinc/10/77/05/134107705.db2.gz FQPOXVMTVCRZBV-JGVFFNPUSA-N 1 2 213.285 -0.026 20 0 BBADLO CC[N@@H+](C[C@@H](C)O)[C@@H](C)c1nnnn1C ZINC000352210258 535765562 /nfs/dbraw/zinc/76/55/62/535765562.db2.gz FQPOXVMTVCRZBV-SFYZADRCSA-N 1 2 213.285 -0.026 20 0 BBADLO CC[N@H+](C[C@@H](C)O)[C@@H](C)c1nnnn1C ZINC000352210258 535765559 /nfs/dbraw/zinc/76/55/59/535765559.db2.gz FQPOXVMTVCRZBV-SFYZADRCSA-N 1 2 213.285 -0.026 20 0 BBADLO CC[N@@H+](C[C@H](C)O)[C@@H](C)c1nnnn1C ZINC000352210259 134107672 /nfs/dbraw/zinc/10/76/72/134107672.db2.gz FQPOXVMTVCRZBV-YUMQZZPRSA-N 1 2 213.285 -0.026 20 0 BBADLO CC[N@H+](C[C@H](C)O)[C@@H](C)c1nnnn1C ZINC000352210259 134107671 /nfs/dbraw/zinc/10/76/71/134107671.db2.gz FQPOXVMTVCRZBV-YUMQZZPRSA-N 1 2 213.285 -0.026 20 0 BBADLO COC1CC([N@@H+](C)Cc2nc(N)nc(N)n2)C1 ZINC000352222014 536719278 /nfs/dbraw/zinc/71/92/78/536719278.db2.gz PPTMIQQECCCKIR-UHFFFAOYSA-N 1 2 238.295 -0.694 20 0 BBADLO COC1CC([N@H+](C)Cc2nc(N)nc(N)n2)C1 ZINC000352222014 536719270 /nfs/dbraw/zinc/71/92/70/536719270.db2.gz PPTMIQQECCCKIR-UHFFFAOYSA-N 1 2 238.295 -0.694 20 0 BBADLO Cn1ccc(NC(=O)NCc2[nH]cc[nH+]2)n1 ZINC000352223550 411245718 /nfs/dbraw/zinc/24/57/18/411245718.db2.gz WHAWJHWOGUZOJN-UHFFFAOYSA-N 1 2 220.236 0.465 20 0 BBADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCOCCO ZINC000352228192 134110542 /nfs/dbraw/zinc/11/05/42/134110542.db2.gz WYOBWLDDRLSOFW-FCHSOHFDSA-N 1 2 235.349 -0.163 20 0 BBADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCOCCO ZINC000352228192 134110541 /nfs/dbraw/zinc/11/05/41/134110541.db2.gz WYOBWLDDRLSOFW-FCHSOHFDSA-N 1 2 235.349 -0.163 20 0 BBADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1CCOCCO ZINC000352228193 134110778 /nfs/dbraw/zinc/11/07/78/134110778.db2.gz WYOBWLDDRLSOFW-HFBDOXOYSA-N 1 2 235.349 -0.163 20 0 BBADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1CCOCCO ZINC000352228193 134110777 /nfs/dbraw/zinc/11/07/77/134110777.db2.gz WYOBWLDDRLSOFW-HFBDOXOYSA-N 1 2 235.349 -0.163 20 0 BBADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCOCCO ZINC000352228194 134110579 /nfs/dbraw/zinc/11/05/79/134110579.db2.gz WYOBWLDDRLSOFW-FTGAXOIBSA-N 1 2 235.349 -0.163 20 0 BBADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCOCCO ZINC000352228194 134110578 /nfs/dbraw/zinc/11/05/78/134110578.db2.gz WYOBWLDDRLSOFW-FTGAXOIBSA-N 1 2 235.349 -0.163 20 0 BBADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1CCOCCO ZINC000352228195 134110486 /nfs/dbraw/zinc/11/04/86/134110486.db2.gz WYOBWLDDRLSOFW-IQMDTDKHSA-N 1 2 235.349 -0.163 20 0 BBADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1CCOCCO ZINC000352228195 134110485 /nfs/dbraw/zinc/11/04/85/134110485.db2.gz WYOBWLDDRLSOFW-IQMDTDKHSA-N 1 2 235.349 -0.163 20 0 BBADLO c1nc2n(n1)CC[N@H+](CCN1CCOCC1)C2 ZINC000352264824 134128949 /nfs/dbraw/zinc/12/89/49/134128949.db2.gz FDSCSCKHSUTLGV-UHFFFAOYSA-N 1 2 237.307 -0.574 20 0 BBADLO c1nc2n(n1)CC[N@@H+](CCN1CCOCC1)C2 ZINC000352264824 134128948 /nfs/dbraw/zinc/12/89/48/134128948.db2.gz FDSCSCKHSUTLGV-UHFFFAOYSA-N 1 2 237.307 -0.574 20 0 BBADLO c1nc2n(n1)CCN(CC[NH+]1CCOCC1)C2 ZINC000352264824 134128947 /nfs/dbraw/zinc/12/89/47/134128947.db2.gz FDSCSCKHSUTLGV-UHFFFAOYSA-N 1 2 237.307 -0.574 20 0 BBADLO CCNC(=O)C[N@@H+](C)Cc1ccnn1C ZINC000352301017 134139670 /nfs/dbraw/zinc/13/96/70/134139670.db2.gz AVSBZVBVHANRIL-UHFFFAOYSA-N 1 2 210.281 -0.012 20 0 BBADLO CCNC(=O)C[N@H+](C)Cc1ccnn1C ZINC000352301017 134139669 /nfs/dbraw/zinc/13/96/69/134139669.db2.gz AVSBZVBVHANRIL-UHFFFAOYSA-N 1 2 210.281 -0.012 20 0 BBADLO CNS(=O)(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000352303719 387060458 /nfs/dbraw/zinc/06/04/58/387060458.db2.gz UWHDKXABEYEQFS-MRVPVSSYSA-N 1 2 244.320 -0.075 20 0 BBADLO CNS(=O)(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000352303720 387060165 /nfs/dbraw/zinc/06/01/65/387060165.db2.gz UWHDKXABEYEQFS-QMMMGPOBSA-N 1 2 244.320 -0.075 20 0 BBADLO Cc1nc(N2CCN(C(N)=O)CC2)cc[nH+]1 ZINC000352323011 132245517 /nfs/dbraw/zinc/24/55/17/132245517.db2.gz XCTPUKDTUDGAOU-UHFFFAOYSA-N 1 2 221.264 -0.014 20 0 BBADLO NC(=O)C[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000352352738 181232799 /nfs/dbraw/zinc/23/27/99/181232799.db2.gz MSGMUBLFMHYYMP-JTQLQIEISA-N 1 2 214.265 -0.647 20 0 BBADLO NC(=O)C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000352352738 181232796 /nfs/dbraw/zinc/23/27/96/181232796.db2.gz MSGMUBLFMHYYMP-JTQLQIEISA-N 1 2 214.265 -0.647 20 0 BBADLO NC(=O)C[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000352352739 181233084 /nfs/dbraw/zinc/23/30/84/181233084.db2.gz MSGMUBLFMHYYMP-SNVBAGLBSA-N 1 2 214.265 -0.647 20 0 BBADLO NC(=O)C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000352352739 181233081 /nfs/dbraw/zinc/23/30/81/181233081.db2.gz MSGMUBLFMHYYMP-SNVBAGLBSA-N 1 2 214.265 -0.647 20 0 BBADLO C[C@@H](C(N)=O)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000352359744 387110998 /nfs/dbraw/zinc/11/09/98/387110998.db2.gz BWYJQGSWCBIDIU-GXSJLCMTSA-N 1 2 228.292 -0.258 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000352359744 387110991 /nfs/dbraw/zinc/11/09/91/387110991.db2.gz BWYJQGSWCBIDIU-GXSJLCMTSA-N 1 2 228.292 -0.258 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000352359745 387110038 /nfs/dbraw/zinc/11/00/38/387110038.db2.gz BWYJQGSWCBIDIU-KOLCDFICSA-N 1 2 228.292 -0.258 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000352359745 387110033 /nfs/dbraw/zinc/11/00/33/387110033.db2.gz BWYJQGSWCBIDIU-KOLCDFICSA-N 1 2 228.292 -0.258 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000352359747 387110278 /nfs/dbraw/zinc/11/02/78/387110278.db2.gz BWYJQGSWCBIDIU-MWLCHTKSSA-N 1 2 228.292 -0.258 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000352359747 387110274 /nfs/dbraw/zinc/11/02/74/387110274.db2.gz BWYJQGSWCBIDIU-MWLCHTKSSA-N 1 2 228.292 -0.258 20 0 BBADLO C[C@@H](C(N)=O)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000352359749 387110910 /nfs/dbraw/zinc/11/09/10/387110910.db2.gz BWYJQGSWCBIDIU-ONGXEEELSA-N 1 2 228.292 -0.258 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000352359749 387110904 /nfs/dbraw/zinc/11/09/04/387110904.db2.gz BWYJQGSWCBIDIU-ONGXEEELSA-N 1 2 228.292 -0.258 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)N2CCC(=O)CC2)C1 ZINC000352420847 173106146 /nfs/dbraw/zinc/10/61/46/173106146.db2.gz HOICRSXCNGHMDM-JTQLQIEISA-N 1 2 226.276 -0.492 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)N2CCC(=O)CC2)C1 ZINC000352420847 173106144 /nfs/dbraw/zinc/10/61/44/173106144.db2.gz HOICRSXCNGHMDM-JTQLQIEISA-N 1 2 226.276 -0.492 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)N2CCC(=O)CC2)C1 ZINC000352420848 173100000 /nfs/dbraw/zinc/10/00/00/173100000.db2.gz HOICRSXCNGHMDM-SNVBAGLBSA-N 1 2 226.276 -0.492 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(=O)CC2)C1 ZINC000352420848 173099997 /nfs/dbraw/zinc/09/99/97/173099997.db2.gz HOICRSXCNGHMDM-SNVBAGLBSA-N 1 2 226.276 -0.492 20 0 BBADLO Cn1nnnc1C[N@@H+](CCO)CC1CC1 ZINC000352481987 387249072 /nfs/dbraw/zinc/24/90/72/387249072.db2.gz GAMPRJZNVXEPLO-UHFFFAOYSA-N 1 2 211.269 -0.586 20 0 BBADLO Cn1nnnc1C[N@H+](CCO)CC1CC1 ZINC000352481987 387249068 /nfs/dbraw/zinc/24/90/68/387249068.db2.gz GAMPRJZNVXEPLO-UHFFFAOYSA-N 1 2 211.269 -0.586 20 0 BBADLO CO[C@@H](C(=O)N1CC[NH+](CCO)CC1)C(C)C ZINC000352554665 387310395 /nfs/dbraw/zinc/31/03/95/387310395.db2.gz ULDNPYAVWDKYSA-LLVKDONJSA-N 1 2 244.335 -0.206 20 0 BBADLO CO[C@H](C(=O)N1CC[NH+](CCO)CC1)C(C)C ZINC000352554666 387309978 /nfs/dbraw/zinc/30/99/78/387309978.db2.gz ULDNPYAVWDKYSA-NSHDSACASA-N 1 2 244.335 -0.206 20 0 BBADLO CC(C)[C@@H](O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000352582883 387344968 /nfs/dbraw/zinc/34/49/68/387344968.db2.gz MQSVAHMEQKGTFV-GHMZBOCLSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@@H](O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000352582883 387344962 /nfs/dbraw/zinc/34/49/62/387344962.db2.gz MQSVAHMEQKGTFV-GHMZBOCLSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@H](O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000352582884 387344696 /nfs/dbraw/zinc/34/46/96/387344696.db2.gz MQSVAHMEQKGTFV-MNOVXSKESA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@H](O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000352582884 387344693 /nfs/dbraw/zinc/34/46/93/387344693.db2.gz MQSVAHMEQKGTFV-MNOVXSKESA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@H](O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000352582885 188057549 /nfs/dbraw/zinc/05/75/49/188057549.db2.gz MQSVAHMEQKGTFV-QWRGUYRKSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@H](O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000352582885 188057547 /nfs/dbraw/zinc/05/75/47/188057547.db2.gz MQSVAHMEQKGTFV-QWRGUYRKSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@@H](O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000352582886 387343528 /nfs/dbraw/zinc/34/35/28/387343528.db2.gz MQSVAHMEQKGTFV-WDEREUQCSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@@H](O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000352582886 387343522 /nfs/dbraw/zinc/34/35/22/387343522.db2.gz MQSVAHMEQKGTFV-WDEREUQCSA-N 1 2 244.335 -0.160 20 0 BBADLO CC[NH+]1CCN(S(=O)(=O)N(C)C)[C@H](C)C1 ZINC000352598798 356388647 /nfs/dbraw/zinc/38/86/47/356388647.db2.gz ZHGZMFMRDUEFAI-SECBINFHSA-N 1 2 235.353 -0.181 20 0 BBADLO CC[NH+]1CCN(S(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000352598803 356388703 /nfs/dbraw/zinc/38/87/03/356388703.db2.gz ZHGZMFMRDUEFAI-VIFPVBQESA-N 1 2 235.353 -0.181 20 0 BBADLO CC[NH+]1CCN(S(=O)(=O)N2CCC2)[C@@H](C)C1 ZINC000352603160 356388408 /nfs/dbraw/zinc/38/84/08/356388408.db2.gz GFXZJUHJQCKEAM-JTQLQIEISA-N 1 2 247.364 -0.037 20 0 BBADLO CC[NH+]1CCN(S(=O)(=O)N2CCC2)[C@H](C)C1 ZINC000352603161 356388626 /nfs/dbraw/zinc/38/86/26/356388626.db2.gz GFXZJUHJQCKEAM-SNVBAGLBSA-N 1 2 247.364 -0.037 20 0 BBADLO CC[NH+]1CCN(S(=O)(=O)C2COC2)[C@H](C)C1 ZINC000352603915 356388755 /nfs/dbraw/zinc/38/87/55/356388755.db2.gz PTMSKBRQFUANAH-SECBINFHSA-N 1 2 248.348 -0.259 20 0 BBADLO CC[NH+]1CCN(S(=O)(=O)C2COC2)[C@@H](C)C1 ZINC000352603916 356388826 /nfs/dbraw/zinc/38/88/26/356388826.db2.gz PTMSKBRQFUANAH-VIFPVBQESA-N 1 2 248.348 -0.259 20 0 BBADLO C[N@@H+](Cc1nc(N)nc(N)n1)[C@H]1CCC[C@@H]1O ZINC000352657060 398322913 /nfs/dbraw/zinc/32/29/13/398322913.db2.gz DUKBTVSGIOAYJL-BQBZGAKWSA-N 1 2 238.295 -0.958 20 0 BBADLO C[N@H+](Cc1nc(N)nc(N)n1)[C@H]1CCC[C@@H]1O ZINC000352657060 398322911 /nfs/dbraw/zinc/32/29/11/398322911.db2.gz DUKBTVSGIOAYJL-BQBZGAKWSA-N 1 2 238.295 -0.958 20 0 BBADLO C[N@@H+](Cc1nc(N)nc(N)n1)[C@H]1CCC[C@H]1O ZINC000352657061 398322870 /nfs/dbraw/zinc/32/28/70/398322870.db2.gz DUKBTVSGIOAYJL-NKWVEPMBSA-N 1 2 238.295 -0.958 20 0 BBADLO C[N@H+](Cc1nc(N)nc(N)n1)[C@H]1CCC[C@H]1O ZINC000352657061 398322868 /nfs/dbraw/zinc/32/28/68/398322868.db2.gz DUKBTVSGIOAYJL-NKWVEPMBSA-N 1 2 238.295 -0.958 20 0 BBADLO C[N@@H+](Cc1nc(N)nc(N)n1)[C@@H]1CCC[C@H]1O ZINC000352657062 398322987 /nfs/dbraw/zinc/32/29/87/398322987.db2.gz DUKBTVSGIOAYJL-RNFRBKRXSA-N 1 2 238.295 -0.958 20 0 BBADLO C[N@H+](Cc1nc(N)nc(N)n1)[C@@H]1CCC[C@H]1O ZINC000352657062 398322985 /nfs/dbraw/zinc/32/29/85/398322985.db2.gz DUKBTVSGIOAYJL-RNFRBKRXSA-N 1 2 238.295 -0.958 20 0 BBADLO C[N@@H+](Cc1nc(N)nc(N)n1)[C@@H]1CCC[C@@H]1O ZINC000352657063 398323050 /nfs/dbraw/zinc/32/30/50/398323050.db2.gz DUKBTVSGIOAYJL-RQJHMYQMSA-N 1 2 238.295 -0.958 20 0 BBADLO C[N@H+](Cc1nc(N)nc(N)n1)[C@@H]1CCC[C@@H]1O ZINC000352657063 398323047 /nfs/dbraw/zinc/32/30/47/398323047.db2.gz DUKBTVSGIOAYJL-RQJHMYQMSA-N 1 2 238.295 -0.958 20 0 BBADLO CCN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352662418 387425611 /nfs/dbraw/zinc/42/56/11/387425611.db2.gz ZDSVSRXRNTZXRP-SECBINFHSA-N 1 2 227.308 -0.373 20 0 BBADLO CCN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000352662418 387425608 /nfs/dbraw/zinc/42/56/08/387425608.db2.gz ZDSVSRXRNTZXRP-SECBINFHSA-N 1 2 227.308 -0.373 20 0 BBADLO CCN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352662419 387427777 /nfs/dbraw/zinc/42/77/77/387427777.db2.gz ZDSVSRXRNTZXRP-VIFPVBQESA-N 1 2 227.308 -0.373 20 0 BBADLO CCN(C)C(=O)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352662419 387427773 /nfs/dbraw/zinc/42/77/73/387427773.db2.gz ZDSVSRXRNTZXRP-VIFPVBQESA-N 1 2 227.308 -0.373 20 0 BBADLO Cn1nnnc1C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000352668263 387430461 /nfs/dbraw/zinc/43/04/61/387430461.db2.gz QQJQGZSEZGEOPU-HTQZYQBOSA-N 1 2 211.269 -0.445 20 0 BBADLO Cn1nnnc1C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000352668263 387430459 /nfs/dbraw/zinc/43/04/59/387430459.db2.gz QQJQGZSEZGEOPU-HTQZYQBOSA-N 1 2 211.269 -0.445 20 0 BBADLO Cn1nnnc1C[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000352668264 387428395 /nfs/dbraw/zinc/42/83/95/387428395.db2.gz QQJQGZSEZGEOPU-JGVFFNPUSA-N 1 2 211.269 -0.445 20 0 BBADLO Cn1nnnc1C[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352668264 387428392 /nfs/dbraw/zinc/42/83/92/387428392.db2.gz QQJQGZSEZGEOPU-JGVFFNPUSA-N 1 2 211.269 -0.445 20 0 BBADLO Cn1nnnc1C[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352668265 387428405 /nfs/dbraw/zinc/42/84/05/387428405.db2.gz QQJQGZSEZGEOPU-SFYZADRCSA-N 1 2 211.269 -0.445 20 0 BBADLO Cn1nnnc1C[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352668265 387428403 /nfs/dbraw/zinc/42/84/03/387428403.db2.gz QQJQGZSEZGEOPU-SFYZADRCSA-N 1 2 211.269 -0.445 20 0 BBADLO Cn1nnnc1C[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000352668266 387429107 /nfs/dbraw/zinc/42/91/07/387429107.db2.gz QQJQGZSEZGEOPU-YUMQZZPRSA-N 1 2 211.269 -0.445 20 0 BBADLO Cn1nnnc1C[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352668266 387429101 /nfs/dbraw/zinc/42/91/01/387429101.db2.gz QQJQGZSEZGEOPU-YUMQZZPRSA-N 1 2 211.269 -0.445 20 0 BBADLO CN1CC[C@@H]([N@@H+](C)CC(=O)N2CCC2)C1=O ZINC000352669188 173117219 /nfs/dbraw/zinc/11/72/19/173117219.db2.gz XWWUFCKVXZSYTL-SECBINFHSA-N 1 2 225.292 -0.619 20 0 BBADLO CN1CC[C@@H]([N@H+](C)CC(=O)N2CCC2)C1=O ZINC000352669188 173117216 /nfs/dbraw/zinc/11/72/16/173117216.db2.gz XWWUFCKVXZSYTL-SECBINFHSA-N 1 2 225.292 -0.619 20 0 BBADLO CN1CC[C@H]([N@@H+](C)CC(=O)N2CCC2)C1=O ZINC000352669189 173149502 /nfs/dbraw/zinc/14/95/02/173149502.db2.gz XWWUFCKVXZSYTL-VIFPVBQESA-N 1 2 225.292 -0.619 20 0 BBADLO CN1CC[C@H]([N@H+](C)CC(=O)N2CCC2)C1=O ZINC000352669189 173149499 /nfs/dbraw/zinc/14/94/99/173149499.db2.gz XWWUFCKVXZSYTL-VIFPVBQESA-N 1 2 225.292 -0.619 20 0 BBADLO CC(C)CNC(=O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352671988 188231366 /nfs/dbraw/zinc/23/13/66/188231366.db2.gz KPLDWASRXBNSFY-JTQLQIEISA-N 1 2 241.335 -0.079 20 0 BBADLO CC(C)CNC(=O)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352671988 188231364 /nfs/dbraw/zinc/23/13/64/188231364.db2.gz KPLDWASRXBNSFY-JTQLQIEISA-N 1 2 241.335 -0.079 20 0 BBADLO CC(C)CNC(=O)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352671990 387432800 /nfs/dbraw/zinc/43/28/00/387432800.db2.gz KPLDWASRXBNSFY-SNVBAGLBSA-N 1 2 241.335 -0.079 20 0 BBADLO CC(C)CNC(=O)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000352671990 387432797 /nfs/dbraw/zinc/43/27/97/387432797.db2.gz KPLDWASRXBNSFY-SNVBAGLBSA-N 1 2 241.335 -0.079 20 0 BBADLO CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352672297 170055162 /nfs/dbraw/zinc/05/51/62/170055162.db2.gz LHBCNUURXAUIGS-MRVPVSSYSA-N 1 2 213.281 -0.715 20 0 BBADLO CCNC(=O)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000352672297 170055160 /nfs/dbraw/zinc/05/51/60/170055160.db2.gz LHBCNUURXAUIGS-MRVPVSSYSA-N 1 2 213.281 -0.715 20 0 BBADLO CCNC(=O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352672298 170055583 /nfs/dbraw/zinc/05/55/83/170055583.db2.gz LHBCNUURXAUIGS-QMMMGPOBSA-N 1 2 213.281 -0.715 20 0 BBADLO CCNC(=O)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352672298 170055582 /nfs/dbraw/zinc/05/55/82/170055582.db2.gz LHBCNUURXAUIGS-QMMMGPOBSA-N 1 2 213.281 -0.715 20 0 BBADLO NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000352683795 181233452 /nfs/dbraw/zinc/23/34/52/181233452.db2.gz VDRDJXCGANDWJF-BQBZGAKWSA-N 1 2 240.225 -0.036 20 0 BBADLO NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000352683795 181233451 /nfs/dbraw/zinc/23/34/51/181233451.db2.gz VDRDJXCGANDWJF-BQBZGAKWSA-N 1 2 240.225 -0.036 20 0 BBADLO NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000352683796 181232578 /nfs/dbraw/zinc/23/25/78/181232578.db2.gz VDRDJXCGANDWJF-NKWVEPMBSA-N 1 2 240.225 -0.036 20 0 BBADLO NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000352683796 181232575 /nfs/dbraw/zinc/23/25/75/181232575.db2.gz VDRDJXCGANDWJF-NKWVEPMBSA-N 1 2 240.225 -0.036 20 0 BBADLO NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352683797 181233602 /nfs/dbraw/zinc/23/36/02/181233602.db2.gz VDRDJXCGANDWJF-RNFRBKRXSA-N 1 2 240.225 -0.036 20 0 BBADLO NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352683797 181233601 /nfs/dbraw/zinc/23/36/01/181233601.db2.gz VDRDJXCGANDWJF-RNFRBKRXSA-N 1 2 240.225 -0.036 20 0 BBADLO NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352683798 181233584 /nfs/dbraw/zinc/23/35/84/181233584.db2.gz VDRDJXCGANDWJF-RQJHMYQMSA-N 1 2 240.225 -0.036 20 0 BBADLO NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352683798 181233583 /nfs/dbraw/zinc/23/35/83/181233583.db2.gz VDRDJXCGANDWJF-RQJHMYQMSA-N 1 2 240.225 -0.036 20 0 BBADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)[C@H]1CCC[C@@H]1O ZINC000352699005 387442705 /nfs/dbraw/zinc/44/27/05/387442705.db2.gz NYAFTAZNXIBXMS-BQBZGAKWSA-N 1 2 212.253 -0.145 20 0 BBADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)[C@H]1CCC[C@@H]1O ZINC000352699005 387442699 /nfs/dbraw/zinc/44/26/99/387442699.db2.gz NYAFTAZNXIBXMS-BQBZGAKWSA-N 1 2 212.253 -0.145 20 0 BBADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)[C@H]1CCC[C@H]1O ZINC000352699006 387443113 /nfs/dbraw/zinc/44/31/13/387443113.db2.gz NYAFTAZNXIBXMS-NKWVEPMBSA-N 1 2 212.253 -0.145 20 0 BBADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)[C@H]1CCC[C@H]1O ZINC000352699006 387443109 /nfs/dbraw/zinc/44/31/09/387443109.db2.gz NYAFTAZNXIBXMS-NKWVEPMBSA-N 1 2 212.253 -0.145 20 0 BBADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)[C@@H]1CCC[C@H]1O ZINC000352699007 387441915 /nfs/dbraw/zinc/44/19/15/387441915.db2.gz NYAFTAZNXIBXMS-RNFRBKRXSA-N 1 2 212.253 -0.145 20 0 BBADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)[C@@H]1CCC[C@H]1O ZINC000352699007 387441911 /nfs/dbraw/zinc/44/19/11/387441911.db2.gz NYAFTAZNXIBXMS-RNFRBKRXSA-N 1 2 212.253 -0.145 20 0 BBADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)[C@@H]1CCC[C@@H]1O ZINC000352699008 387441701 /nfs/dbraw/zinc/44/17/01/387441701.db2.gz NYAFTAZNXIBXMS-RQJHMYQMSA-N 1 2 212.253 -0.145 20 0 BBADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)[C@@H]1CCC[C@@H]1O ZINC000352699008 387441698 /nfs/dbraw/zinc/44/16/98/387441698.db2.gz NYAFTAZNXIBXMS-RQJHMYQMSA-N 1 2 212.253 -0.145 20 0 BBADLO CN1CC[C@H]([N@@H+](C)CC(=O)NCC2CC2)C1=O ZINC000352699296 173148815 /nfs/dbraw/zinc/14/88/15/173148815.db2.gz PXAAGEDORZTLIK-JTQLQIEISA-N 1 2 239.319 -0.325 20 0 BBADLO CN1CC[C@H]([N@H+](C)CC(=O)NCC2CC2)C1=O ZINC000352699296 173148813 /nfs/dbraw/zinc/14/88/13/173148813.db2.gz PXAAGEDORZTLIK-JTQLQIEISA-N 1 2 239.319 -0.325 20 0 BBADLO CN1CC[C@@H]([N@@H+](C)CC(=O)NCC2CC2)C1=O ZINC000352699297 173118374 /nfs/dbraw/zinc/11/83/74/173118374.db2.gz PXAAGEDORZTLIK-SNVBAGLBSA-N 1 2 239.319 -0.325 20 0 BBADLO CN1CC[C@@H]([N@H+](C)CC(=O)NCC2CC2)C1=O ZINC000352699297 173118372 /nfs/dbraw/zinc/11/83/72/173118372.db2.gz PXAAGEDORZTLIK-SNVBAGLBSA-N 1 2 239.319 -0.325 20 0 BBADLO C[C@@H]1CS(=O)(=O)CCN1C(=O)C[NH+](C)C ZINC000352709326 176348330 /nfs/dbraw/zinc/34/83/30/176348330.db2.gz KJIRIWUSYNYTDZ-MRVPVSSYSA-N 1 2 234.321 -0.807 20 0 BBADLO C[C@H]1CS(=O)(=O)CCN1C(=O)C[NH+](C)C ZINC000352709327 188231820 /nfs/dbraw/zinc/23/18/20/188231820.db2.gz KJIRIWUSYNYTDZ-QMMMGPOBSA-N 1 2 234.321 -0.807 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)N2CCCOC2)C1 ZINC000352709495 173100518 /nfs/dbraw/zinc/10/05/18/173100518.db2.gz CJPPTMRSMMULKW-SECBINFHSA-N 1 2 214.265 -0.477 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCCOC2)C1 ZINC000352709495 173100516 /nfs/dbraw/zinc/10/05/16/173100516.db2.gz CJPPTMRSMMULKW-SECBINFHSA-N 1 2 214.265 -0.477 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)N2CCCOC2)C1 ZINC000352709497 173104833 /nfs/dbraw/zinc/10/48/33/173104833.db2.gz CJPPTMRSMMULKW-VIFPVBQESA-N 1 2 214.265 -0.477 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)N2CCCOC2)C1 ZINC000352709497 173104831 /nfs/dbraw/zinc/10/48/31/173104831.db2.gz CJPPTMRSMMULKW-VIFPVBQESA-N 1 2 214.265 -0.477 20 0 BBADLO CN(C)S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000352728757 387462868 /nfs/dbraw/zinc/46/28/68/387462868.db2.gz XYODUMFRWAMNJO-UHFFFAOYSA-N 1 2 230.293 -0.495 20 0 BBADLO CCOC[C@H](O)C[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000352758285 387473819 /nfs/dbraw/zinc/47/38/19/387473819.db2.gz IVGRGXGRMRIKOE-FCHSOHFDSA-N 1 2 235.349 -0.163 20 0 BBADLO CCOC[C@H](O)C[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000352758285 387473817 /nfs/dbraw/zinc/47/38/17/387473817.db2.gz IVGRGXGRMRIKOE-FCHSOHFDSA-N 1 2 235.349 -0.163 20 0 BBADLO CCOC[C@H](O)C[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000352758286 387473299 /nfs/dbraw/zinc/47/32/99/387473299.db2.gz IVGRGXGRMRIKOE-FEUHOPSXSA-N 1 2 235.349 -0.163 20 0 BBADLO CCOC[C@H](O)C[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000352758286 387473296 /nfs/dbraw/zinc/47/32/96/387473296.db2.gz IVGRGXGRMRIKOE-FEUHOPSXSA-N 1 2 235.349 -0.163 20 0 BBADLO CCOC[C@H](O)C[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000352758287 387475100 /nfs/dbraw/zinc/47/51/00/387475100.db2.gz IVGRGXGRMRIKOE-IQMDTDKHSA-N 1 2 235.349 -0.163 20 0 BBADLO CCOC[C@H](O)C[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000352758287 387475098 /nfs/dbraw/zinc/47/50/98/387475098.db2.gz IVGRGXGRMRIKOE-IQMDTDKHSA-N 1 2 235.349 -0.163 20 0 BBADLO CCOC[C@H](O)C[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000352758288 387474302 /nfs/dbraw/zinc/47/43/02/387474302.db2.gz IVGRGXGRMRIKOE-WMFXKJRFSA-N 1 2 235.349 -0.163 20 0 BBADLO CCOC[C@H](O)C[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000352758288 387474298 /nfs/dbraw/zinc/47/42/98/387474298.db2.gz IVGRGXGRMRIKOE-WMFXKJRFSA-N 1 2 235.349 -0.163 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@H](O)[C@@H](C)C1 ZINC000352765782 170001815 /nfs/dbraw/zinc/00/18/15/170001815.db2.gz SDHQKHGLZNYKSL-AXFHLTTASA-N 1 2 242.319 -0.454 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@H](O)[C@@H](C)C1 ZINC000352765782 170001814 /nfs/dbraw/zinc/00/18/14/170001814.db2.gz SDHQKHGLZNYKSL-AXFHLTTASA-N 1 2 242.319 -0.454 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H](O)C1 ZINC000352765783 170001828 /nfs/dbraw/zinc/00/18/28/170001828.db2.gz SDHQKHGLZNYKSL-GMTAPVOTSA-N 1 2 242.319 -0.454 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H](O)C1 ZINC000352765783 170001826 /nfs/dbraw/zinc/00/18/26/170001826.db2.gz SDHQKHGLZNYKSL-GMTAPVOTSA-N 1 2 242.319 -0.454 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@H](C)[C@H](O)C1 ZINC000352765784 170001498 /nfs/dbraw/zinc/00/14/98/170001498.db2.gz SDHQKHGLZNYKSL-HBNTYKKESA-N 1 2 242.319 -0.454 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@H](C)[C@H](O)C1 ZINC000352765784 170001496 /nfs/dbraw/zinc/00/14/96/170001496.db2.gz SDHQKHGLZNYKSL-HBNTYKKESA-N 1 2 242.319 -0.454 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@@H](O)C1 ZINC000352765785 170001768 /nfs/dbraw/zinc/00/17/68/170001768.db2.gz SDHQKHGLZNYKSL-MXWKQRLJSA-N 1 2 242.319 -0.454 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@@H](O)C1 ZINC000352765785 170001767 /nfs/dbraw/zinc/00/17/67/170001767.db2.gz SDHQKHGLZNYKSL-MXWKQRLJSA-N 1 2 242.319 -0.454 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000352791676 170266115 /nfs/dbraw/zinc/26/61/15/170266115.db2.gz IXQJQNKGSCHMCC-CIUDSAMLSA-N 1 2 217.265 -0.371 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+](C)[C@H]1COC[C@@H]1O ZINC000352791676 170266113 /nfs/dbraw/zinc/26/61/13/170266113.db2.gz IXQJQNKGSCHMCC-CIUDSAMLSA-N 1 2 217.265 -0.371 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000352791677 170266898 /nfs/dbraw/zinc/26/68/98/170266898.db2.gz IXQJQNKGSCHMCC-DJLDLDEBSA-N 1 2 217.265 -0.371 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000352791677 170266897 /nfs/dbraw/zinc/26/68/97/170266897.db2.gz IXQJQNKGSCHMCC-DJLDLDEBSA-N 1 2 217.265 -0.371 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+](C)[C@H]1COC[C@H]1O ZINC000352791678 170266747 /nfs/dbraw/zinc/26/67/47/170266747.db2.gz IXQJQNKGSCHMCC-XHNCKOQMSA-N 1 2 217.265 -0.371 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+](C)[C@H]1COC[C@H]1O ZINC000352791678 170266746 /nfs/dbraw/zinc/26/67/46/170266746.db2.gz IXQJQNKGSCHMCC-XHNCKOQMSA-N 1 2 217.265 -0.371 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000352791679 170266177 /nfs/dbraw/zinc/26/61/77/170266177.db2.gz IXQJQNKGSCHMCC-YIZRAAEISA-N 1 2 217.265 -0.371 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000352791679 170266176 /nfs/dbraw/zinc/26/61/76/170266176.db2.gz IXQJQNKGSCHMCC-YIZRAAEISA-N 1 2 217.265 -0.371 20 0 BBADLO C[N@@H+](Cc1cn2cccnc2n1)[C@@H]1COC[C@@H]1O ZINC000352792386 387487825 /nfs/dbraw/zinc/48/78/25/387487825.db2.gz MCLGAHMURKWBAA-MNOVXSKESA-N 1 2 248.286 -0.079 20 0 BBADLO C[N@H+](Cc1cn2cccnc2n1)[C@@H]1COC[C@@H]1O ZINC000352792386 387487821 /nfs/dbraw/zinc/48/78/21/387487821.db2.gz MCLGAHMURKWBAA-MNOVXSKESA-N 1 2 248.286 -0.079 20 0 BBADLO C[N@@H+](Cc1cn2cccnc2n1)[C@H]1COC[C@@H]1O ZINC000352792391 387487602 /nfs/dbraw/zinc/48/76/02/387487602.db2.gz MCLGAHMURKWBAA-QWRGUYRKSA-N 1 2 248.286 -0.079 20 0 BBADLO C[N@H+](Cc1cn2cccnc2n1)[C@H]1COC[C@@H]1O ZINC000352792391 387487597 /nfs/dbraw/zinc/48/75/97/387487597.db2.gz MCLGAHMURKWBAA-QWRGUYRKSA-N 1 2 248.286 -0.079 20 0 BBADLO C[N@@H+](Cc1cn2cccnc2n1)[C@H]1COC[C@H]1O ZINC000352792393 387486511 /nfs/dbraw/zinc/48/65/11/387486511.db2.gz MCLGAHMURKWBAA-WDEREUQCSA-N 1 2 248.286 -0.079 20 0 BBADLO C[N@H+](Cc1cn2cccnc2n1)[C@H]1COC[C@H]1O ZINC000352792393 387486506 /nfs/dbraw/zinc/48/65/06/387486506.db2.gz MCLGAHMURKWBAA-WDEREUQCSA-N 1 2 248.286 -0.079 20 0 BBADLO CC[C@H](C(=O)OC)[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000352794271 171240881 /nfs/dbraw/zinc/24/08/81/171240881.db2.gz RASZIYYDTOHHSU-HLTSFMKQSA-N 1 2 217.265 -0.371 20 0 BBADLO CC[C@H](C(=O)OC)[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000352794271 171240880 /nfs/dbraw/zinc/24/08/80/171240880.db2.gz RASZIYYDTOHHSU-HLTSFMKQSA-N 1 2 217.265 -0.371 20 0 BBADLO CC[C@H](C(=O)OC)[N@@H+](C)[C@H]1COC[C@H]1O ZINC000352794272 171241177 /nfs/dbraw/zinc/24/11/77/171241177.db2.gz RASZIYYDTOHHSU-HRDYMLBCSA-N 1 2 217.265 -0.371 20 0 BBADLO CC[C@H](C(=O)OC)[N@H+](C)[C@H]1COC[C@H]1O ZINC000352794272 171241176 /nfs/dbraw/zinc/24/11/76/171241176.db2.gz RASZIYYDTOHHSU-HRDYMLBCSA-N 1 2 217.265 -0.371 20 0 BBADLO CC[C@H](C(=O)OC)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000352794273 171241140 /nfs/dbraw/zinc/24/11/40/171241140.db2.gz RASZIYYDTOHHSU-IWSPIJDZSA-N 1 2 217.265 -0.371 20 0 BBADLO CC[C@H](C(=O)OC)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000352794273 171241138 /nfs/dbraw/zinc/24/11/38/171241138.db2.gz RASZIYYDTOHHSU-IWSPIJDZSA-N 1 2 217.265 -0.371 20 0 BBADLO CC[C@H](C(=O)OC)[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000352794274 171240761 /nfs/dbraw/zinc/24/07/61/171240761.db2.gz RASZIYYDTOHHSU-VGMNWLOBSA-N 1 2 217.265 -0.371 20 0 BBADLO CC[C@H](C(=O)OC)[N@H+](C)[C@H]1COC[C@@H]1O ZINC000352794274 171240759 /nfs/dbraw/zinc/24/07/59/171240759.db2.gz RASZIYYDTOHHSU-VGMNWLOBSA-N 1 2 217.265 -0.371 20 0 BBADLO CCCCCNC(=O)C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000352805876 387496434 /nfs/dbraw/zinc/49/64/34/387496434.db2.gz STMLYRMGBOXHAW-GHMZBOCLSA-N 1 2 244.335 -0.016 20 0 BBADLO CCCCCNC(=O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000352805876 387496430 /nfs/dbraw/zinc/49/64/30/387496430.db2.gz STMLYRMGBOXHAW-GHMZBOCLSA-N 1 2 244.335 -0.016 20 0 BBADLO CCCCCNC(=O)C[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000352805878 387496916 /nfs/dbraw/zinc/49/69/16/387496916.db2.gz STMLYRMGBOXHAW-MNOVXSKESA-N 1 2 244.335 -0.016 20 0 BBADLO CCCCCNC(=O)C[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000352805878 387496911 /nfs/dbraw/zinc/49/69/11/387496911.db2.gz STMLYRMGBOXHAW-MNOVXSKESA-N 1 2 244.335 -0.016 20 0 BBADLO CCCCCNC(=O)C[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000352805879 387495944 /nfs/dbraw/zinc/49/59/44/387495944.db2.gz STMLYRMGBOXHAW-QWRGUYRKSA-N 1 2 244.335 -0.016 20 0 BBADLO CCCCCNC(=O)C[N@H+](C)[C@H]1COC[C@@H]1O ZINC000352805879 387495940 /nfs/dbraw/zinc/49/59/40/387495940.db2.gz STMLYRMGBOXHAW-QWRGUYRKSA-N 1 2 244.335 -0.016 20 0 BBADLO CCCCCNC(=O)C[N@@H+](C)[C@H]1COC[C@H]1O ZINC000352805881 387496019 /nfs/dbraw/zinc/49/60/19/387496019.db2.gz STMLYRMGBOXHAW-WDEREUQCSA-N 1 2 244.335 -0.016 20 0 BBADLO CCCCCNC(=O)C[N@H+](C)[C@H]1COC[C@H]1O ZINC000352805881 387496015 /nfs/dbraw/zinc/49/60/15/387496015.db2.gz STMLYRMGBOXHAW-WDEREUQCSA-N 1 2 244.335 -0.016 20 0 BBADLO Cc1cc(C[N@@H+](C)[C@@H]2COC[C@H]2O)nn1C ZINC000352815962 387507325 /nfs/dbraw/zinc/50/73/25/387507325.db2.gz MMTZASYROVCENB-GHMZBOCLSA-N 1 2 225.292 -0.080 20 0 BBADLO Cc1cc(C[N@H+](C)[C@@H]2COC[C@H]2O)nn1C ZINC000352815962 387507322 /nfs/dbraw/zinc/50/73/22/387507322.db2.gz MMTZASYROVCENB-GHMZBOCLSA-N 1 2 225.292 -0.080 20 0 BBADLO Cc1cc(C[N@@H+](C)[C@@H]2COC[C@@H]2O)nn1C ZINC000352815963 387508046 /nfs/dbraw/zinc/50/80/46/387508046.db2.gz MMTZASYROVCENB-MNOVXSKESA-N 1 2 225.292 -0.080 20 0 BBADLO Cc1cc(C[N@H+](C)[C@@H]2COC[C@@H]2O)nn1C ZINC000352815963 387508043 /nfs/dbraw/zinc/50/80/43/387508043.db2.gz MMTZASYROVCENB-MNOVXSKESA-N 1 2 225.292 -0.080 20 0 BBADLO Cc1cc(C[N@@H+](C)[C@H]2COC[C@@H]2O)nn1C ZINC000352815964 387508984 /nfs/dbraw/zinc/50/89/84/387508984.db2.gz MMTZASYROVCENB-QWRGUYRKSA-N 1 2 225.292 -0.080 20 0 BBADLO Cc1cc(C[N@H+](C)[C@H]2COC[C@@H]2O)nn1C ZINC000352815964 387508977 /nfs/dbraw/zinc/50/89/77/387508977.db2.gz MMTZASYROVCENB-QWRGUYRKSA-N 1 2 225.292 -0.080 20 0 BBADLO Cc1cc(C[N@@H+](C)[C@H]2COC[C@H]2O)nn1C ZINC000352815965 387508713 /nfs/dbraw/zinc/50/87/13/387508713.db2.gz MMTZASYROVCENB-WDEREUQCSA-N 1 2 225.292 -0.080 20 0 BBADLO Cc1cc(C[N@H+](C)[C@H]2COC[C@H]2O)nn1C ZINC000352815965 387508708 /nfs/dbraw/zinc/50/87/08/387508708.db2.gz MMTZASYROVCENB-WDEREUQCSA-N 1 2 225.292 -0.080 20 0 BBADLO COC(=O)[C@H](C1CC1)[N@@H+](C)[C@H]1COC[C@H]1O ZINC000352817714 387512531 /nfs/dbraw/zinc/51/25/31/387512531.db2.gz RQCCUUFHOOFEGZ-AEJSXWLSSA-N 1 2 229.276 -0.371 20 0 BBADLO COC(=O)[C@H](C1CC1)[N@H+](C)[C@H]1COC[C@H]1O ZINC000352817714 387512528 /nfs/dbraw/zinc/51/25/28/387512528.db2.gz RQCCUUFHOOFEGZ-AEJSXWLSSA-N 1 2 229.276 -0.371 20 0 BBADLO COC(=O)[C@H](C1CC1)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000352817715 387512952 /nfs/dbraw/zinc/51/29/52/387512952.db2.gz RQCCUUFHOOFEGZ-BBBLOLIVSA-N 1 2 229.276 -0.371 20 0 BBADLO COC(=O)[C@H](C1CC1)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000352817715 387512951 /nfs/dbraw/zinc/51/29/51/387512951.db2.gz RQCCUUFHOOFEGZ-BBBLOLIVSA-N 1 2 229.276 -0.371 20 0 BBADLO COC(=O)[C@H](C1CC1)[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000352817716 387512257 /nfs/dbraw/zinc/51/22/57/387512257.db2.gz RQCCUUFHOOFEGZ-GUBZILKMSA-N 1 2 229.276 -0.371 20 0 BBADLO COC(=O)[C@H](C1CC1)[N@H+](C)[C@H]1COC[C@@H]1O ZINC000352817716 387512254 /nfs/dbraw/zinc/51/22/54/387512254.db2.gz RQCCUUFHOOFEGZ-GUBZILKMSA-N 1 2 229.276 -0.371 20 0 BBADLO COC(=O)[C@H](C1CC1)[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000352817717 387512983 /nfs/dbraw/zinc/51/29/83/387512983.db2.gz RQCCUUFHOOFEGZ-UTLUCORTSA-N 1 2 229.276 -0.371 20 0 BBADLO COC(=O)[C@H](C1CC1)[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000352817717 387512979 /nfs/dbraw/zinc/51/29/79/387512979.db2.gz RQCCUUFHOOFEGZ-UTLUCORTSA-N 1 2 229.276 -0.371 20 0 BBADLO C[C@H](CF)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000352823095 387521577 /nfs/dbraw/zinc/52/15/77/387521577.db2.gz BYOISJWPQBQFOH-BDAKNGLRSA-N 1 2 233.287 -0.026 20 0 BBADLO C[C@H](CF)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000352823095 387521575 /nfs/dbraw/zinc/52/15/75/387521575.db2.gz BYOISJWPQBQFOH-BDAKNGLRSA-N 1 2 233.287 -0.026 20 0 BBADLO C[C@@H](CF)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000352823098 387522304 /nfs/dbraw/zinc/52/23/04/387522304.db2.gz BYOISJWPQBQFOH-DTWKUNHWSA-N 1 2 233.287 -0.026 20 0 BBADLO C[C@@H](CF)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000352823098 387522301 /nfs/dbraw/zinc/52/23/01/387522301.db2.gz BYOISJWPQBQFOH-DTWKUNHWSA-N 1 2 233.287 -0.026 20 0 BBADLO C[C@@H](CF)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000352823102 387522267 /nfs/dbraw/zinc/52/22/67/387522267.db2.gz BYOISJWPQBQFOH-IUCAKERBSA-N 1 2 233.287 -0.026 20 0 BBADLO C[C@@H](CF)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000352823102 387522265 /nfs/dbraw/zinc/52/22/65/387522265.db2.gz BYOISJWPQBQFOH-IUCAKERBSA-N 1 2 233.287 -0.026 20 0 BBADLO C[C@H](CF)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000352823105 387521313 /nfs/dbraw/zinc/52/13/13/387521313.db2.gz BYOISJWPQBQFOH-RKDXNWHRSA-N 1 2 233.287 -0.026 20 0 BBADLO C[C@H](CF)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000352823105 387521308 /nfs/dbraw/zinc/52/13/08/387521308.db2.gz BYOISJWPQBQFOH-RKDXNWHRSA-N 1 2 233.287 -0.026 20 0 BBADLO Cc1c[nH]nc1C[NH2+]CC(=O)N1CCOCC1 ZINC000352851007 386731390 /nfs/dbraw/zinc/73/13/90/386731390.db2.gz YXVXHPWLFUMNGM-UHFFFAOYSA-N 1 2 238.291 -0.333 20 0 BBADLO Cc1cn[nH]c1C[NH2+]CC(=O)N1CCOCC1 ZINC000352851007 386731383 /nfs/dbraw/zinc/73/13/83/386731383.db2.gz YXVXHPWLFUMNGM-UHFFFAOYSA-N 1 2 238.291 -0.333 20 0 BBADLO COCC[NH+]1CCN(C(=O)[C@H](O)C(C)C)CC1 ZINC000352856813 174308316 /nfs/dbraw/zinc/30/83/16/174308316.db2.gz BJQPZDBHMJBXHT-LLVKDONJSA-N 1 2 244.335 -0.206 20 0 BBADLO COCC[NH+]1CCN(C(=O)[C@@H](O)C(C)C)CC1 ZINC000352856814 174308470 /nfs/dbraw/zinc/30/84/70/174308470.db2.gz BJQPZDBHMJBXHT-NSHDSACASA-N 1 2 244.335 -0.206 20 0 BBADLO CNC(=O)[C@@H]1C[N@@H+](Cc2conc2C)CCO1 ZINC000352868028 173300463 /nfs/dbraw/zinc/30/04/63/173300463.db2.gz RGKYIEIMHRIAKJ-JTQLQIEISA-N 1 2 239.275 -0.070 20 0 BBADLO CNC(=O)[C@@H]1C[N@H+](Cc2conc2C)CCO1 ZINC000352868028 173300462 /nfs/dbraw/zinc/30/04/62/173300462.db2.gz RGKYIEIMHRIAKJ-JTQLQIEISA-N 1 2 239.275 -0.070 20 0 BBADLO CNC(=O)[C@H]1C[N@@H+](Cc2conc2C)CCO1 ZINC000352868029 173308434 /nfs/dbraw/zinc/30/84/34/173308434.db2.gz RGKYIEIMHRIAKJ-SNVBAGLBSA-N 1 2 239.275 -0.070 20 0 BBADLO CNC(=O)[C@H]1C[N@H+](Cc2conc2C)CCO1 ZINC000352868029 173308433 /nfs/dbraw/zinc/30/84/33/173308433.db2.gz RGKYIEIMHRIAKJ-SNVBAGLBSA-N 1 2 239.275 -0.070 20 0 BBADLO COC(=O)C[N@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000352877948 386821788 /nfs/dbraw/zinc/82/17/88/386821788.db2.gz RGFSOWNFAWNTGB-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO COC(=O)C[N@@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000352877948 386821785 /nfs/dbraw/zinc/82/17/85/386821785.db2.gz RGFSOWNFAWNTGB-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO COC(=O)CN1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000352877948 386821780 /nfs/dbraw/zinc/82/17/80/386821780.db2.gz RGFSOWNFAWNTGB-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO COC(=O)C[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000352877949 386821253 /nfs/dbraw/zinc/82/12/53/386821253.db2.gz RGFSOWNFAWNTGB-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO COC(=O)C[N@@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000352877949 386821248 /nfs/dbraw/zinc/82/12/48/386821248.db2.gz RGFSOWNFAWNTGB-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO COC(=O)CN1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000352877949 386821243 /nfs/dbraw/zinc/82/12/43/386821243.db2.gz RGFSOWNFAWNTGB-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO COC(=O)C[N@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000352877950 386822362 /nfs/dbraw/zinc/82/23/62/386822362.db2.gz RGFSOWNFAWNTGB-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO COC(=O)C[N@@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000352877950 386822356 /nfs/dbraw/zinc/82/23/56/386822356.db2.gz RGFSOWNFAWNTGB-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO COC(=O)CN1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000352877950 386822351 /nfs/dbraw/zinc/82/23/51/386822351.db2.gz RGFSOWNFAWNTGB-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO COC(=O)C[N@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000352877951 386822285 /nfs/dbraw/zinc/82/22/85/386822285.db2.gz RGFSOWNFAWNTGB-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO COC(=O)C[N@@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000352877951 386822282 /nfs/dbraw/zinc/82/22/82/386822282.db2.gz RGFSOWNFAWNTGB-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO COC(=O)CN1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000352877951 386822277 /nfs/dbraw/zinc/82/22/77/386822277.db2.gz RGFSOWNFAWNTGB-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO CCn1cc(C[N@H+]2CCO[C@H](C(N)=O)C2)cn1 ZINC000352923462 172165590 /nfs/dbraw/zinc/16/55/90/172165590.db2.gz HCZCPFSHFPGGKI-JTQLQIEISA-N 1 2 238.291 -0.411 20 0 BBADLO CCn1cc(C[N@@H+]2CCO[C@H](C(N)=O)C2)cn1 ZINC000352923462 172165585 /nfs/dbraw/zinc/16/55/85/172165585.db2.gz HCZCPFSHFPGGKI-JTQLQIEISA-N 1 2 238.291 -0.411 20 0 BBADLO CCn1cc(C[N@H+]2CCO[C@@H](C(N)=O)C2)cn1 ZINC000352923467 172166158 /nfs/dbraw/zinc/16/61/58/172166158.db2.gz HCZCPFSHFPGGKI-SNVBAGLBSA-N 1 2 238.291 -0.411 20 0 BBADLO CCn1cc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)cn1 ZINC000352923467 172166155 /nfs/dbraw/zinc/16/61/55/172166155.db2.gz HCZCPFSHFPGGKI-SNVBAGLBSA-N 1 2 238.291 -0.411 20 0 BBADLO Cc1c(C[N@H+]2CCO[C@H](C(N)=O)C2)cnn1C ZINC000352923559 187207598 /nfs/dbraw/zinc/20/75/98/187207598.db2.gz HXKVCWJAZYSVTD-JTQLQIEISA-N 1 2 238.291 -0.585 20 0 BBADLO Cc1c(C[N@@H+]2CCO[C@H](C(N)=O)C2)cnn1C ZINC000352923559 187207596 /nfs/dbraw/zinc/20/75/96/187207596.db2.gz HXKVCWJAZYSVTD-JTQLQIEISA-N 1 2 238.291 -0.585 20 0 BBADLO Cc1c(C[N@H+]2CCO[C@@H](C(N)=O)C2)cnn1C ZINC000352923560 386968214 /nfs/dbraw/zinc/96/82/14/386968214.db2.gz HXKVCWJAZYSVTD-SNVBAGLBSA-N 1 2 238.291 -0.585 20 0 BBADLO Cc1c(C[N@@H+]2CCO[C@@H](C(N)=O)C2)cnn1C ZINC000352923560 386968209 /nfs/dbraw/zinc/96/82/09/386968209.db2.gz HXKVCWJAZYSVTD-SNVBAGLBSA-N 1 2 238.291 -0.585 20 0 BBADLO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000352955646 171148115 /nfs/dbraw/zinc/14/81/15/171148115.db2.gz LLBWRZSWKTYZON-BQBZGAKWSA-N 1 2 239.279 -0.485 20 0 BBADLO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000352956814 386973593 /nfs/dbraw/zinc/97/35/93/386973593.db2.gz LLBWRZSWKTYZON-NKWVEPMBSA-N 1 2 239.279 -0.485 20 0 BBADLO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000352956816 386974523 /nfs/dbraw/zinc/97/45/23/386974523.db2.gz LLBWRZSWKTYZON-RNFRBKRXSA-N 1 2 239.279 -0.485 20 0 BBADLO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000352956818 171149060 /nfs/dbraw/zinc/14/90/60/171149060.db2.gz LLBWRZSWKTYZON-RQJHMYQMSA-N 1 2 239.279 -0.485 20 0 BBADLO Cc1cc(NCCNc2cnccn2)nc[nH+]1 ZINC000352998937 386986121 /nfs/dbraw/zinc/98/61/21/386986121.db2.gz SUHRGSSSSMLINY-UHFFFAOYSA-N 1 2 230.275 -0.057 20 0 BBADLO CCOCCOC1C[NH+](C[C@H](O)COC)C1 ZINC000353000006 386987203 /nfs/dbraw/zinc/98/72/03/386987203.db2.gz JZSHKSUDEHLCHR-JTQLQIEISA-N 1 2 233.308 -0.269 20 0 BBADLO CCOCCOC1C[NH+](C[C@@H](O)COC)C1 ZINC000353000009 386985895 /nfs/dbraw/zinc/98/58/95/386985895.db2.gz JZSHKSUDEHLCHR-SNVBAGLBSA-N 1 2 233.308 -0.269 20 0 BBADLO NC(=O)CC[NH+]1CC(OCC(F)F)C1 ZINC000353007087 181222984 /nfs/dbraw/zinc/22/29/84/181222984.db2.gz YLLHWSHMKJNCRP-UHFFFAOYSA-N 1 2 208.208 -0.172 20 0 BBADLO CN(C)C(=O)COC1C[NH+](CC(C)(C)O)C1 ZINC000353008214 172372642 /nfs/dbraw/zinc/37/26/42/172372642.db2.gz CSOJRPYQUWSVFJ-UHFFFAOYSA-N 1 2 230.308 -0.454 20 0 BBADLO COC[C@H](O)C[NH+]1CC(OCC(F)F)C1 ZINC000353009251 386986474 /nfs/dbraw/zinc/98/64/74/386986474.db2.gz GMLJTWOUQHCTDK-SSDOTTSWSA-N 1 2 225.235 -0.040 20 0 BBADLO COC[C@@H](O)C[NH+]1CC(OCC(F)F)C1 ZINC000353009252 386987514 /nfs/dbraw/zinc/98/75/14/386987514.db2.gz GMLJTWOUQHCTDK-ZETCQYMHSA-N 1 2 225.235 -0.040 20 0 BBADLO COC1(C)C[NH+](C[C@H](O)CN2CCOCC2)C1 ZINC000353026986 388540488 /nfs/dbraw/zinc/54/04/88/388540488.db2.gz NJSGWBJWMLVRMI-LLVKDONJSA-N 1 2 244.335 -0.600 20 0 BBADLO COC1(C)CN(C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000353026986 388540486 /nfs/dbraw/zinc/54/04/86/388540486.db2.gz NJSGWBJWMLVRMI-LLVKDONJSA-N 1 2 244.335 -0.600 20 0 BBADLO COC1(C)C[NH+](C[C@@H](O)CN2CCOCC2)C1 ZINC000353026987 388541516 /nfs/dbraw/zinc/54/15/16/388541516.db2.gz NJSGWBJWMLVRMI-NSHDSACASA-N 1 2 244.335 -0.600 20 0 BBADLO COC1(C)CN(C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000353026987 388541515 /nfs/dbraw/zinc/54/15/15/388541515.db2.gz NJSGWBJWMLVRMI-NSHDSACASA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@H]([C@H](C)O)[NH+]1CC(OCC(=O)N(C)C)C1 ZINC000353027613 541482990 /nfs/dbraw/zinc/48/29/90/541482990.db2.gz OJTDXUPBPBVQPG-BDAKNGLRSA-N 1 2 230.308 -0.455 20 0 BBADLO C[C@@H](O)[C@H](C)[NH+]1CC(OCC(=O)N(C)C)C1 ZINC000353027615 541483013 /nfs/dbraw/zinc/48/30/13/541483013.db2.gz OJTDXUPBPBVQPG-DTWKUNHWSA-N 1 2 230.308 -0.455 20 0 BBADLO C[C@H](O)[C@H](C)[NH+]1CC(OCC(=O)N(C)C)C1 ZINC000353027617 541482925 /nfs/dbraw/zinc/48/29/25/541482925.db2.gz OJTDXUPBPBVQPG-IUCAKERBSA-N 1 2 230.308 -0.455 20 0 BBADLO C[C@@H](O)[C@@H](C)[NH+]1CC(OCC(=O)N(C)C)C1 ZINC000353027619 541482847 /nfs/dbraw/zinc/48/28/47/541482847.db2.gz OJTDXUPBPBVQPG-RKDXNWHRSA-N 1 2 230.308 -0.455 20 0 BBADLO CN(Cc1[nH]cc[nH+]1)C(=O)CN1CCOCC1 ZINC000353037171 387012302 /nfs/dbraw/zinc/01/23/02/387012302.db2.gz JYUIYLAXMVJDEO-UHFFFAOYSA-N 1 2 238.291 -0.300 20 0 BBADLO COCCOC1C[NH+](C[C@@H](O)COC)C1 ZINC000353055314 174344210 /nfs/dbraw/zinc/34/42/10/174344210.db2.gz ZKAXYSCBKYGWDY-SECBINFHSA-N 1 2 219.281 -0.659 20 0 BBADLO COCCOC1C[NH+](C[C@H](O)COC)C1 ZINC000353055315 174344773 /nfs/dbraw/zinc/34/47/73/174344773.db2.gz ZKAXYSCBKYGWDY-VIFPVBQESA-N 1 2 219.281 -0.659 20 0 BBADLO C[C@H](CF)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000353076121 387057148 /nfs/dbraw/zinc/05/71/48/387057148.db2.gz HGDITXHGHYPNCX-NXEZZACHSA-N 1 2 246.330 -0.111 20 0 BBADLO C[C@H](CF)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000353076121 387057144 /nfs/dbraw/zinc/05/71/44/387057144.db2.gz HGDITXHGHYPNCX-NXEZZACHSA-N 1 2 246.330 -0.111 20 0 BBADLO C[C@@H](CF)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000353076125 387056898 /nfs/dbraw/zinc/05/68/98/387056898.db2.gz HGDITXHGHYPNCX-UWVGGRQHSA-N 1 2 246.330 -0.111 20 0 BBADLO C[C@@H](CF)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000353076125 387056890 /nfs/dbraw/zinc/05/68/90/387056890.db2.gz HGDITXHGHYPNCX-UWVGGRQHSA-N 1 2 246.330 -0.111 20 0 BBADLO C[C@@H](CF)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000353076127 387057106 /nfs/dbraw/zinc/05/71/06/387057106.db2.gz HGDITXHGHYPNCX-VHSXEESVSA-N 1 2 246.330 -0.111 20 0 BBADLO C[C@@H](CF)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000353076127 387057104 /nfs/dbraw/zinc/05/71/04/387057104.db2.gz HGDITXHGHYPNCX-VHSXEESVSA-N 1 2 246.330 -0.111 20 0 BBADLO C[C@H](CF)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000353076128 387056827 /nfs/dbraw/zinc/05/68/27/387056827.db2.gz HGDITXHGHYPNCX-ZJUUUORDSA-N 1 2 246.330 -0.111 20 0 BBADLO C[C@H](CF)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000353076128 387056824 /nfs/dbraw/zinc/05/68/24/387056824.db2.gz HGDITXHGHYPNCX-ZJUUUORDSA-N 1 2 246.330 -0.111 20 0 BBADLO CCNC(=O)C[N@H+]1C[C@H]2CCS(=O)(=O)[C@H]2C1 ZINC000353135223 170061545 /nfs/dbraw/zinc/06/15/45/170061545.db2.gz IQVJVYSZWUZZLV-BDAKNGLRSA-N 1 2 246.332 -0.759 20 0 BBADLO CCNC(=O)C[N@@H+]1C[C@H]2CCS(=O)(=O)[C@H]2C1 ZINC000353135223 170061544 /nfs/dbraw/zinc/06/15/44/170061544.db2.gz IQVJVYSZWUZZLV-BDAKNGLRSA-N 1 2 246.332 -0.759 20 0 BBADLO CCNC(=O)C[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000353135227 170061503 /nfs/dbraw/zinc/06/15/03/170061503.db2.gz IQVJVYSZWUZZLV-DTWKUNHWSA-N 1 2 246.332 -0.759 20 0 BBADLO CCNC(=O)C[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000353135227 170061500 /nfs/dbraw/zinc/06/15/00/170061500.db2.gz IQVJVYSZWUZZLV-DTWKUNHWSA-N 1 2 246.332 -0.759 20 0 BBADLO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](CCS2(=O)=O)C1 ZINC000353135228 170061395 /nfs/dbraw/zinc/06/13/95/170061395.db2.gz IQVJVYSZWUZZLV-IUCAKERBSA-N 1 2 246.332 -0.759 20 0 BBADLO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](CCS2(=O)=O)C1 ZINC000353135228 170061393 /nfs/dbraw/zinc/06/13/93/170061393.db2.gz IQVJVYSZWUZZLV-IUCAKERBSA-N 1 2 246.332 -0.759 20 0 BBADLO CCNC(=O)C[N@H+]1C[C@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000353135229 170060934 /nfs/dbraw/zinc/06/09/34/170060934.db2.gz IQVJVYSZWUZZLV-RKDXNWHRSA-N 1 2 246.332 -0.759 20 0 BBADLO CCNC(=O)C[N@@H+]1C[C@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000353135229 170060932 /nfs/dbraw/zinc/06/09/32/170060932.db2.gz IQVJVYSZWUZZLV-RKDXNWHRSA-N 1 2 246.332 -0.759 20 0 BBADLO COC[C@@H](CO)NC(=O)NCCn1cc[nH+]c1 ZINC000353178917 386063436 /nfs/dbraw/zinc/06/34/36/386063436.db2.gz CYDCTGBOWAAUOR-SECBINFHSA-N 1 2 242.279 -0.810 20 0 BBADLO COC[C@H](CO)NC(=O)NCCn1cc[nH+]c1 ZINC000353178930 174568066 /nfs/dbraw/zinc/56/80/66/174568066.db2.gz CYDCTGBOWAAUOR-VIFPVBQESA-N 1 2 242.279 -0.810 20 0 BBADLO COC(=O)c1cnoc1C[N@@H+](C)CCC(N)=O ZINC000353195707 387152871 /nfs/dbraw/zinc/15/28/71/387152871.db2.gz RNDXXTCRIUJIFN-UHFFFAOYSA-N 1 2 241.247 -0.232 20 0 BBADLO COC(=O)c1cnoc1C[N@H+](C)CCC(N)=O ZINC000353195707 387152866 /nfs/dbraw/zinc/15/28/66/387152866.db2.gz RNDXXTCRIUJIFN-UHFFFAOYSA-N 1 2 241.247 -0.232 20 0 BBADLO Cc1nc(CC[N@H+](C)CC(=O)N(C)C)no1 ZINC000353196688 387154789 /nfs/dbraw/zinc/15/47/89/387154789.db2.gz TTXMMASBTXCYNT-UHFFFAOYSA-N 1 2 226.280 -0.059 20 0 BBADLO Cc1nc(CC[N@@H+](C)CC(=O)N(C)C)no1 ZINC000353196688 387154784 /nfs/dbraw/zinc/15/47/84/387154784.db2.gz TTXMMASBTXCYNT-UHFFFAOYSA-N 1 2 226.280 -0.059 20 0 BBADLO CCC[C@@](C)([NH3+])C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000353199669 384512983 /nfs/dbraw/zinc/51/29/83/384512983.db2.gz AAUQOQFYPLRKDK-SECBINFHSA-N 1 2 227.268 -0.356 20 0 BBADLO CCC[C@](C)([NH3+])C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000353199673 384514073 /nfs/dbraw/zinc/51/40/73/384514073.db2.gz AAUQOQFYPLRKDK-VIFPVBQESA-N 1 2 227.268 -0.356 20 0 BBADLO CCCC[C@H]([NH3+])C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000353200218 169008221 /nfs/dbraw/zinc/00/82/21/169008221.db2.gz CEDBYCFJFHGPKZ-LURJTMIESA-N 1 2 227.268 -0.356 20 0 BBADLO CCCC[C@@H]([NH3+])C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000353200219 366784151 /nfs/dbraw/zinc/78/41/51/366784151.db2.gz CEDBYCFJFHGPKZ-ZCFIWIBFSA-N 1 2 227.268 -0.356 20 0 BBADLO CC(C)C[C@H]([NH3+])C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000353201637 188373958 /nfs/dbraw/zinc/37/39/58/188373958.db2.gz GXOZVYUGWMBKRI-LURJTMIESA-N 1 2 227.268 -0.500 20 0 BBADLO CC(C)C[C@@H]([NH3+])C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000353201638 388540899 /nfs/dbraw/zinc/54/08/99/388540899.db2.gz GXOZVYUGWMBKRI-ZCFIWIBFSA-N 1 2 227.268 -0.500 20 0 BBADLO C[N@@H+](CCC(N)=O)Cc1nnc(C2CC2)[nH]1 ZINC000353201904 172678347 /nfs/dbraw/zinc/67/83/47/172678347.db2.gz OFSMCBQNPPBLIK-UHFFFAOYSA-N 1 2 223.280 -0.011 20 0 BBADLO C[N@H+](CCC(N)=O)Cc1nnc(C2CC2)[nH]1 ZINC000353201904 172678344 /nfs/dbraw/zinc/67/83/44/172678344.db2.gz OFSMCBQNPPBLIK-UHFFFAOYSA-N 1 2 223.280 -0.011 20 0 BBADLO CCCn1ncnc1C[N@@H+](C)CCC(N)=O ZINC000353207981 387158568 /nfs/dbraw/zinc/15/85/68/387158568.db2.gz ZWQVUTMQJUGZIS-UHFFFAOYSA-N 1 2 225.296 -0.005 20 0 BBADLO CCCn1ncnc1C[N@H+](C)CCC(N)=O ZINC000353207981 387158562 /nfs/dbraw/zinc/15/85/62/387158562.db2.gz ZWQVUTMQJUGZIS-UHFFFAOYSA-N 1 2 225.296 -0.005 20 0 BBADLO C[C@]1(C(=O)NCc2n[nH]c(=O)[nH]2)CCC[NH2+]C1 ZINC000353209000 388540507 /nfs/dbraw/zinc/54/05/07/388540507.db2.gz UVUKRFTXJJMIGB-JTQLQIEISA-N 1 2 239.279 -0.484 20 0 BBADLO C[C@@]1(C(=O)NCc2n[nH]c(=O)[nH]2)CCC[NH2+]C1 ZINC000353209002 388540496 /nfs/dbraw/zinc/54/04/96/388540496.db2.gz UVUKRFTXJJMIGB-SNVBAGLBSA-N 1 2 239.279 -0.484 20 0 BBADLO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000353209585 171371700 /nfs/dbraw/zinc/37/17/00/171371700.db2.gz WMRJWHKVWDAVJY-CAHLUQPWSA-N 1 2 227.268 -0.500 20 0 BBADLO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000353209586 171395417 /nfs/dbraw/zinc/39/54/17/171395417.db2.gz WMRJWHKVWDAVJY-FSPLSTOPSA-N 1 2 227.268 -0.500 20 0 BBADLO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000353209587 388541546 /nfs/dbraw/zinc/54/15/46/388541546.db2.gz WMRJWHKVWDAVJY-IYSWYEEDSA-N 1 2 227.268 -0.500 20 0 BBADLO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000353209588 388540448 /nfs/dbraw/zinc/54/04/48/388540448.db2.gz WMRJWHKVWDAVJY-VDTYLAMSSA-N 1 2 227.268 -0.500 20 0 BBADLO C[C@H](CO)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353282900 387170405 /nfs/dbraw/zinc/17/04/05/387170405.db2.gz RJIOLKXGIIGPEJ-HTQZYQBOSA-N 1 2 238.291 -0.053 20 0 BBADLO C[C@H](CO)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353282900 387170402 /nfs/dbraw/zinc/17/04/02/387170402.db2.gz RJIOLKXGIIGPEJ-HTQZYQBOSA-N 1 2 238.291 -0.053 20 0 BBADLO C[C@@H](CO)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353282901 387170925 /nfs/dbraw/zinc/17/09/25/387170925.db2.gz RJIOLKXGIIGPEJ-JGVFFNPUSA-N 1 2 238.291 -0.053 20 0 BBADLO C[C@@H](CO)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353282901 387170921 /nfs/dbraw/zinc/17/09/21/387170921.db2.gz RJIOLKXGIIGPEJ-JGVFFNPUSA-N 1 2 238.291 -0.053 20 0 BBADLO C[C@H](CO)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353282902 387170125 /nfs/dbraw/zinc/17/01/25/387170125.db2.gz RJIOLKXGIIGPEJ-SFYZADRCSA-N 1 2 238.291 -0.053 20 0 BBADLO C[C@H](CO)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353282902 387170120 /nfs/dbraw/zinc/17/01/20/387170120.db2.gz RJIOLKXGIIGPEJ-SFYZADRCSA-N 1 2 238.291 -0.053 20 0 BBADLO C[C@@H](CO)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353282903 387170598 /nfs/dbraw/zinc/17/05/98/387170598.db2.gz RJIOLKXGIIGPEJ-YUMQZZPRSA-N 1 2 238.291 -0.053 20 0 BBADLO C[C@@H](CO)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353282903 387170593 /nfs/dbraw/zinc/17/05/93/387170593.db2.gz RJIOLKXGIIGPEJ-YUMQZZPRSA-N 1 2 238.291 -0.053 20 0 BBADLO NC(=O)C1([NH2+]CC(=O)Nc2ccncc2)CC1 ZINC000353366521 181213935 /nfs/dbraw/zinc/21/39/35/181213935.db2.gz LMYDRYWRLPHMDD-UHFFFAOYSA-N 1 2 234.259 -0.951 20 0 BBADLO COCCN(Cc1c[nH+]cn1C)[C@H](C)C(N)=O ZINC000353383700 174301030 /nfs/dbraw/zinc/30/10/30/174301030.db2.gz CDXFPXSPEHAZNA-SECBINFHSA-N 1 2 240.307 -0.258 20 0 BBADLO COCCN(Cc1c[nH+]cn1C)[C@@H](C)C(N)=O ZINC000353383701 174301274 /nfs/dbraw/zinc/30/12/74/174301274.db2.gz CDXFPXSPEHAZNA-VIFPVBQESA-N 1 2 240.307 -0.258 20 0 BBADLO COCCN(Cc1c[nH]c[nH+]1)[C@H](C)C(N)=O ZINC000353391794 174300695 /nfs/dbraw/zinc/30/06/95/174300695.db2.gz DPAODFVTLICPLG-MRVPVSSYSA-N 1 2 226.280 -0.268 20 0 BBADLO COCCN(Cc1c[nH+]c[nH]1)[C@H](C)C(N)=O ZINC000353391794 174300694 /nfs/dbraw/zinc/30/06/94/174300694.db2.gz DPAODFVTLICPLG-MRVPVSSYSA-N 1 2 226.280 -0.268 20 0 BBADLO COCCN(Cc1c[nH]c[nH+]1)[C@@H](C)C(N)=O ZINC000353391795 174301436 /nfs/dbraw/zinc/30/14/36/174301436.db2.gz DPAODFVTLICPLG-QMMMGPOBSA-N 1 2 226.280 -0.268 20 0 BBADLO COCCN(Cc1c[nH+]c[nH]1)[C@@H](C)C(N)=O ZINC000353391795 174301435 /nfs/dbraw/zinc/30/14/35/174301435.db2.gz DPAODFVTLICPLG-QMMMGPOBSA-N 1 2 226.280 -0.268 20 0 BBADLO COCC[N@@H+](Cc1cncnc1)[C@H](C)C(N)=O ZINC000353400040 541444200 /nfs/dbraw/zinc/44/42/00/541444200.db2.gz DGMRFRMIWCOMFQ-SECBINFHSA-N 1 2 238.291 -0.201 20 0 BBADLO COCC[N@H+](Cc1cncnc1)[C@H](C)C(N)=O ZINC000353400040 541444194 /nfs/dbraw/zinc/44/41/94/541444194.db2.gz DGMRFRMIWCOMFQ-SECBINFHSA-N 1 2 238.291 -0.201 20 0 BBADLO COCC[N@@H+](Cc1cncnc1)[C@@H](C)C(N)=O ZINC000353400043 538738925 /nfs/dbraw/zinc/73/89/25/538738925.db2.gz DGMRFRMIWCOMFQ-VIFPVBQESA-N 1 2 238.291 -0.201 20 0 BBADLO COCC[N@H+](Cc1cncnc1)[C@@H](C)C(N)=O ZINC000353400043 538738918 /nfs/dbraw/zinc/73/89/18/538738918.db2.gz DGMRFRMIWCOMFQ-VIFPVBQESA-N 1 2 238.291 -0.201 20 0 BBADLO N[C@@H](C(=O)NCCn1cc[nH+]c1)C(F)(F)F ZINC000353424790 387199642 /nfs/dbraw/zinc/19/96/42/387199642.db2.gz FXJAQYYHOHCLNP-LURJTMIESA-N 1 2 236.197 -0.111 20 0 BBADLO N[C@H](C(=O)NCCn1cc[nH+]c1)C(F)(F)F ZINC000353424791 387200073 /nfs/dbraw/zinc/20/00/73/387200073.db2.gz FXJAQYYHOHCLNP-ZCFIWIBFSA-N 1 2 236.197 -0.111 20 0 BBADLO COC(=O)COCC(=O)Nc1cc[nH+]cc1C ZINC000353429819 387199813 /nfs/dbraw/zinc/19/98/13/387199813.db2.gz IGSJMMHGXSOBMI-UHFFFAOYSA-N 1 2 238.243 -0.060 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CC[C@H](C(N)=O)O1 ZINC000353432625 566413206 /nfs/dbraw/zinc/41/32/06/566413206.db2.gz NZBLWBIQWMTHKS-NXEZZACHSA-N 1 2 249.270 -0.217 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000353432637 566413396 /nfs/dbraw/zinc/41/33/96/566413396.db2.gz NZBLWBIQWMTHKS-UWVGGRQHSA-N 1 2 249.270 -0.217 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000353432675 566413605 /nfs/dbraw/zinc/41/36/05/566413605.db2.gz NZBLWBIQWMTHKS-VHSXEESVSA-N 1 2 249.270 -0.217 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000353432678 566413314 /nfs/dbraw/zinc/41/33/14/566413314.db2.gz NZBLWBIQWMTHKS-ZJUUUORDSA-N 1 2 249.270 -0.217 20 0 BBADLO N[C@@H](C(=O)NCCc1[nH]cc[nH+]1)C(F)(F)F ZINC000353442344 187208721 /nfs/dbraw/zinc/20/87/21/187208721.db2.gz BQKSFZNYDVPMSV-LURJTMIESA-N 1 2 236.197 -0.042 20 0 BBADLO N[C@H](C(=O)NCCc1[nH]cc[nH+]1)C(F)(F)F ZINC000353442345 387201047 /nfs/dbraw/zinc/20/10/47/387201047.db2.gz BQKSFZNYDVPMSV-ZCFIWIBFSA-N 1 2 236.197 -0.042 20 0 BBADLO COCC[N@@H+](CCO)Cc1cnnn1C ZINC000353444031 174295364 /nfs/dbraw/zinc/29/53/64/174295364.db2.gz FPEAGOJDUSUUGN-UHFFFAOYSA-N 1 2 214.269 -0.744 20 0 BBADLO COCC[N@H+](CCO)Cc1cnnn1C ZINC000353444031 174295363 /nfs/dbraw/zinc/29/53/63/174295363.db2.gz FPEAGOJDUSUUGN-UHFFFAOYSA-N 1 2 214.269 -0.744 20 0 BBADLO Cn1cc[nH+]c1CNC(=O)[C@H](N)C(F)(F)F ZINC000353468242 387206510 /nfs/dbraw/zinc/20/65/10/387206510.db2.gz OANMTRCTKDHKRE-LURJTMIESA-N 1 2 236.197 -0.074 20 0 BBADLO Cn1cc[nH+]c1CNC(=O)[C@@H](N)C(F)(F)F ZINC000353468243 387206241 /nfs/dbraw/zinc/20/62/41/387206241.db2.gz OANMTRCTKDHKRE-ZCFIWIBFSA-N 1 2 236.197 -0.074 20 0 BBADLO COCC[NH+](CCOC)Cc1nc(=O)n(C)[nH]1 ZINC000353473386 174296770 /nfs/dbraw/zinc/29/67/70/174296770.db2.gz CYTBTKYCQMLOAC-UHFFFAOYSA-N 1 2 244.295 -0.797 20 0 BBADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cc[nH]n1 ZINC000353473599 385815433 /nfs/dbraw/zinc/81/54/33/385815433.db2.gz SRUDROHYRGTTKK-SECBINFHSA-N 1 2 244.320 -0.337 20 0 BBADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc[nH]n1 ZINC000353473599 385815429 /nfs/dbraw/zinc/81/54/29/385815429.db2.gz SRUDROHYRGTTKK-SECBINFHSA-N 1 2 244.320 -0.337 20 0 BBADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cc[nH]n1 ZINC000353473602 385816039 /nfs/dbraw/zinc/81/60/39/385816039.db2.gz SRUDROHYRGTTKK-VIFPVBQESA-N 1 2 244.320 -0.337 20 0 BBADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cc[nH]n1 ZINC000353473602 385816038 /nfs/dbraw/zinc/81/60/38/385816038.db2.gz SRUDROHYRGTTKK-VIFPVBQESA-N 1 2 244.320 -0.337 20 0 BBADLO CCCC[N@@H+](CC(N)=O)Cc1nc(=O)n(C)[nH]1 ZINC000353474101 387210258 /nfs/dbraw/zinc/21/02/58/387210258.db2.gz DWSUYJHNTKWFMA-UHFFFAOYSA-N 1 2 241.295 -0.804 20 0 BBADLO CCCC[N@H+](CC(N)=O)Cc1nc(=O)n(C)[nH]1 ZINC000353474101 387210254 /nfs/dbraw/zinc/21/02/54/387210254.db2.gz DWSUYJHNTKWFMA-UHFFFAOYSA-N 1 2 241.295 -0.804 20 0 BBADLO C[N@@H+](CC(=O)Nc1nncs1)C1CC(O)C1 ZINC000353475415 387210704 /nfs/dbraw/zinc/21/07/04/387210704.db2.gz XNDWERQEDVTHKR-UHFFFAOYSA-N 1 2 242.304 -0.068 20 0 BBADLO C[N@H+](CC(=O)Nc1nncs1)C1CC(O)C1 ZINC000353475415 387210702 /nfs/dbraw/zinc/21/07/02/387210702.db2.gz XNDWERQEDVTHKR-UHFFFAOYSA-N 1 2 242.304 -0.068 20 0 BBADLO Cn1[nH]c(C[NH+]2CCSCC2)nc1=O ZINC000353482326 387212471 /nfs/dbraw/zinc/21/24/71/387212471.db2.gz URQPTGDLDUJYME-UHFFFAOYSA-N 1 2 214.294 -0.343 20 0 BBADLO C[N@@H+](Cc1nc(N)nc(N)n1)CC1(O)CCC1 ZINC000353487496 387213489 /nfs/dbraw/zinc/21/34/89/387213489.db2.gz DWAPRCWAAMQMSD-UHFFFAOYSA-N 1 2 238.295 -0.956 20 0 BBADLO C[N@H+](Cc1nc(N)nc(N)n1)CC1(O)CCC1 ZINC000353487496 387213484 /nfs/dbraw/zinc/21/34/84/387213484.db2.gz DWAPRCWAAMQMSD-UHFFFAOYSA-N 1 2 238.295 -0.956 20 0 BBADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)CC1(O)CCC1 ZINC000353490349 385979193 /nfs/dbraw/zinc/97/91/93/385979193.db2.gz KPSDFCYFJJTODQ-UHFFFAOYSA-N 1 2 212.253 -0.143 20 0 BBADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)CC1(O)CCC1 ZINC000353490349 385979190 /nfs/dbraw/zinc/97/91/90/385979190.db2.gz KPSDFCYFJJTODQ-UHFFFAOYSA-N 1 2 212.253 -0.143 20 0 BBADLO CN(C)c1cc[nH+]cc1C(=O)Nc1nn[nH]n1 ZINC000353494068 386040879 /nfs/dbraw/zinc/04/08/79/386040879.db2.gz XSPNMCVPCKFFHX-UHFFFAOYSA-N 1 2 233.235 -0.087 20 0 BBADLO N[C@H](C(=O)NCc1[nH]cc[nH+]1)C(F)(F)F ZINC000353522239 387221910 /nfs/dbraw/zinc/22/19/10/387221910.db2.gz PQYDHDVABNOVEK-RXMQYKEDSA-N 1 2 222.170 -0.085 20 0 BBADLO N[C@@H](C(=O)NCc1[nH]cc[nH+]1)C(F)(F)F ZINC000353522241 387221902 /nfs/dbraw/zinc/22/19/02/387221902.db2.gz PQYDHDVABNOVEK-YFKPBYRVSA-N 1 2 222.170 -0.085 20 0 BBADLO C[C@H](C(=O)N1CCCO1)[NH+]1CCOCC1 ZINC000353604341 387240249 /nfs/dbraw/zinc/24/02/49/387240249.db2.gz NYZVEYGXUGYRQB-SECBINFHSA-N 1 2 214.265 -0.129 20 0 BBADLO C[C@@H](C(=O)N1CCCO1)[NH+]1CCOCC1 ZINC000353604343 387241421 /nfs/dbraw/zinc/24/14/21/387241421.db2.gz NYZVEYGXUGYRQB-VIFPVBQESA-N 1 2 214.265 -0.129 20 0 BBADLO C[C@@H]([NH2+]CC(=O)N1CCOCC1)c1ncc[nH]1 ZINC000353611495 538753271 /nfs/dbraw/zinc/75/32/71/538753271.db2.gz COIQIXJLKHIKJA-SECBINFHSA-N 1 2 238.291 -0.081 20 0 BBADLO C[C@H]([NH2+]CC(=O)N1CCOCC1)c1ncc[nH]1 ZINC000353611499 538753027 /nfs/dbraw/zinc/75/30/27/538753027.db2.gz COIQIXJLKHIKJA-VIFPVBQESA-N 1 2 238.291 -0.081 20 0 BBADLO CS(=O)(=O)N[C@@H]1CCN(Cc2c[nH+]c[nH]2)C1 ZINC000353713714 387263319 /nfs/dbraw/zinc/26/33/19/387263319.db2.gz REOHGIRZEFTHHI-MRVPVSSYSA-N 1 2 244.320 -0.467 20 0 BBADLO CS(=O)(=O)N[C@H]1CCN(Cc2c[nH+]c[nH]2)C1 ZINC000353713724 387262631 /nfs/dbraw/zinc/26/26/31/387262631.db2.gz REOHGIRZEFTHHI-QMMMGPOBSA-N 1 2 244.320 -0.467 20 0 BBADLO CC(C)[C@@H]([NH3+])C(=O)N1CCc2[nH]nnc2C1 ZINC000353719020 388544257 /nfs/dbraw/zinc/54/42/57/388544257.db2.gz AEDOUMUXEIAHFW-SECBINFHSA-N 1 2 223.280 -0.327 20 0 BBADLO CC(C)[C@H]([NH3+])C(=O)N1CCc2[nH]nnc2C1 ZINC000353719021 388543853 /nfs/dbraw/zinc/54/38/53/388543853.db2.gz AEDOUMUXEIAHFW-VIFPVBQESA-N 1 2 223.280 -0.327 20 0 BBADLO CCC[C@@H]([NH3+])C(=O)N1CCc2[nH]nnc2C1 ZINC000353724191 169387903 /nfs/dbraw/zinc/38/79/03/169387903.db2.gz LJAQFHSXCNZBIH-SSDOTTSWSA-N 1 2 223.280 -0.183 20 0 BBADLO CCC[C@H]([NH3+])C(=O)N1CCc2[nH]nnc2C1 ZINC000353724192 169501032 /nfs/dbraw/zinc/50/10/32/169501032.db2.gz LJAQFHSXCNZBIH-ZETCQYMHSA-N 1 2 223.280 -0.183 20 0 BBADLO C[N@H+]1CCO[C@H]2CN(Cc3cncnc3)C[C@H]21 ZINC000353744485 538766459 /nfs/dbraw/zinc/76/64/59/538766459.db2.gz FYXMCXYBDHNCRY-NEPJUHHUSA-N 1 2 234.303 -0.009 20 0 BBADLO C[N@@H+]1CCO[C@H]2CN(Cc3cncnc3)C[C@H]21 ZINC000353744485 538766453 /nfs/dbraw/zinc/76/64/53/538766453.db2.gz FYXMCXYBDHNCRY-NEPJUHHUSA-N 1 2 234.303 -0.009 20 0 BBADLO CN1CCO[C@H]2C[N@@H+](Cc3cncnc3)C[C@H]21 ZINC000353744485 538766448 /nfs/dbraw/zinc/76/64/48/538766448.db2.gz FYXMCXYBDHNCRY-NEPJUHHUSA-N 1 2 234.303 -0.009 20 0 BBADLO CN1CCO[C@H]2C[N@H+](Cc3cncnc3)C[C@H]21 ZINC000353744485 538766441 /nfs/dbraw/zinc/76/64/41/538766441.db2.gz FYXMCXYBDHNCRY-NEPJUHHUSA-N 1 2 234.303 -0.009 20 0 BBADLO C[N@H+]1CCO[C@H]2CN(Cc3ncc[nH]3)C[C@H]21 ZINC000353744758 188234946 /nfs/dbraw/zinc/23/49/46/188234946.db2.gz HHALETULCZRINE-ZJUUUORDSA-N 1 2 222.292 -0.076 20 0 BBADLO C[N@@H+]1CCO[C@H]2CN(Cc3ncc[nH]3)C[C@H]21 ZINC000353744758 188234945 /nfs/dbraw/zinc/23/49/45/188234945.db2.gz HHALETULCZRINE-ZJUUUORDSA-N 1 2 222.292 -0.076 20 0 BBADLO Cn1nccc1CN1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000353750926 387269674 /nfs/dbraw/zinc/26/96/74/387269674.db2.gz OXYGRFQMSCWKPP-NEPJUHHUSA-N 1 2 236.319 -0.065 20 0 BBADLO Cn1nccc1CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000353750926 387269670 /nfs/dbraw/zinc/26/96/70/387269670.db2.gz OXYGRFQMSCWKPP-NEPJUHHUSA-N 1 2 236.319 -0.065 20 0 BBADLO Cn1nccc1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000353750926 387269666 /nfs/dbraw/zinc/26/96/66/387269666.db2.gz OXYGRFQMSCWKPP-NEPJUHHUSA-N 1 2 236.319 -0.065 20 0 BBADLO Cn1nccc1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000353750926 387269660 /nfs/dbraw/zinc/26/96/60/387269660.db2.gz OXYGRFQMSCWKPP-NEPJUHHUSA-N 1 2 236.319 -0.065 20 0 BBADLO C[N@H+]1CCO[C@H]2CN(Cc3cc[nH]n3)C[C@H]21 ZINC000353753819 187372601 /nfs/dbraw/zinc/37/26/01/187372601.db2.gz PVXLXDZTGLEVNZ-MNOVXSKESA-N 1 2 222.292 -0.076 20 0 BBADLO C[N@@H+]1CCO[C@H]2CN(Cc3cc[nH]n3)C[C@H]21 ZINC000353753819 187372599 /nfs/dbraw/zinc/37/25/99/187372599.db2.gz PVXLXDZTGLEVNZ-MNOVXSKESA-N 1 2 222.292 -0.076 20 0 BBADLO COc1cc[nH+]cc1NC(=O)CC(N)=O ZINC000353783104 175375806 /nfs/dbraw/zinc/37/58/06/175375806.db2.gz YJGNLDIGMKDZID-UHFFFAOYSA-N 1 2 209.205 -0.096 20 0 BBADLO CN(C)c1[nH+]cccc1CNC(=O)CC(N)=O ZINC000353808078 387276504 /nfs/dbraw/zinc/27/65/04/387276504.db2.gz DUONGWBPBZJNBL-UHFFFAOYSA-N 1 2 236.275 -0.361 20 0 BBADLO NC(=O)CC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000353822708 181217756 /nfs/dbraw/zinc/21/77/56/181217756.db2.gz SERSNKBFXRDPHK-UHFFFAOYSA-N 1 2 246.270 -0.132 20 0 BBADLO CN(C[C@@H](O)CO)C(=O)c1ccc2[nH+]ccn2c1 ZINC000353977302 387304207 /nfs/dbraw/zinc/30/42/07/387304207.db2.gz VMAHWQPGXFCXHS-SNVBAGLBSA-N 1 2 249.270 -0.241 20 0 BBADLO C[C@@H]1CC[N@@H+](C)CCN1C(=O)CS(C)(=O)=O ZINC000354020885 176167307 /nfs/dbraw/zinc/16/73/07/176167307.db2.gz VVGLDEZOKFTPLH-SECBINFHSA-N 1 2 248.348 -0.416 20 0 BBADLO C[C@@H]1CC[N@H+](C)CCN1C(=O)CS(C)(=O)=O ZINC000354020885 176167305 /nfs/dbraw/zinc/16/73/05/176167305.db2.gz VVGLDEZOKFTPLH-SECBINFHSA-N 1 2 248.348 -0.416 20 0 BBADLO C[C@H]1CC[N@@H+](C)CCN1C(=O)CS(C)(=O)=O ZINC000354020886 177156996 /nfs/dbraw/zinc/15/69/96/177156996.db2.gz VVGLDEZOKFTPLH-VIFPVBQESA-N 1 2 248.348 -0.416 20 0 BBADLO C[C@H]1CC[N@H+](C)CCN1C(=O)CS(C)(=O)=O ZINC000354020886 177156995 /nfs/dbraw/zinc/15/69/95/177156995.db2.gz VVGLDEZOKFTPLH-VIFPVBQESA-N 1 2 248.348 -0.416 20 0 BBADLO COC[C@H]1CCN1C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000354050789 487712006 /nfs/dbraw/zinc/71/20/06/487712006.db2.gz ZRFDZUDMNLTQOM-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO COC[C@@H]1CCN1C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000354050790 174510717 /nfs/dbraw/zinc/51/07/17/174510717.db2.gz ZRFDZUDMNLTQOM-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO COC[C@@H]1CCN1C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000354050791 487712522 /nfs/dbraw/zinc/71/25/22/487712522.db2.gz ZRFDZUDMNLTQOM-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO COC[C@H]1CCN1C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000354050792 487712434 /nfs/dbraw/zinc/71/24/34/487712434.db2.gz ZRFDZUDMNLTQOM-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO CC(C)[C@H](O)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000354101897 187374148 /nfs/dbraw/zinc/37/41/48/187374148.db2.gz XBTOCNFSDRDMDY-VWYCJHECSA-N 1 2 242.319 -0.455 20 0 BBADLO CC(C)[C@H](O)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000354101897 187374147 /nfs/dbraw/zinc/37/41/47/187374147.db2.gz XBTOCNFSDRDMDY-VWYCJHECSA-N 1 2 242.319 -0.455 20 0 BBADLO COCCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000354157298 412370838 /nfs/dbraw/zinc/37/08/38/412370838.db2.gz FTIPZSBVDCJTKY-MRVPVSSYSA-N 1 2 226.280 0.328 20 0 BBADLO COCCNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000354157298 412370834 /nfs/dbraw/zinc/37/08/34/412370834.db2.gz FTIPZSBVDCJTKY-MRVPVSSYSA-N 1 2 226.280 0.328 20 0 BBADLO COCCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000354157299 412370242 /nfs/dbraw/zinc/37/02/42/412370242.db2.gz FTIPZSBVDCJTKY-QMMMGPOBSA-N 1 2 226.280 0.328 20 0 BBADLO COCCNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000354157299 412370238 /nfs/dbraw/zinc/37/02/38/412370238.db2.gz FTIPZSBVDCJTKY-QMMMGPOBSA-N 1 2 226.280 0.328 20 0 BBADLO O=C(COC(F)F)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000354234825 387349710 /nfs/dbraw/zinc/34/97/10/387349710.db2.gz DGPVQBWFBNONOE-MRVPVSSYSA-N 1 2 249.261 -0.658 20 0 BBADLO O=C(COC(F)F)NC[C@H]1C[NH+]2CCN1CC2 ZINC000354234827 387349034 /nfs/dbraw/zinc/34/90/34/387349034.db2.gz DGPVQBWFBNONOE-QMMMGPOBSA-N 1 2 249.261 -0.658 20 0 BBADLO Cn1cnc(C(=O)Nc2cc[nH+]cc2O)n1 ZINC000354245417 387351732 /nfs/dbraw/zinc/35/17/32/387351732.db2.gz VAAWYUAYKJMBIM-UHFFFAOYSA-N 1 2 219.204 -0.410 20 0 BBADLO C[NH+](C)CC(=O)NC(C)(C)CS(C)(=O)=O ZINC000354497323 387385497 /nfs/dbraw/zinc/38/54/97/387385497.db2.gz BFGFHQHWPKELLK-UHFFFAOYSA-N 1 2 236.337 -0.513 20 0 BBADLO Nc1nc(=NCCn2cc[nH+]c2)nc2[nH][nH]cc1-2 ZINC000354512357 411924804 /nfs/dbraw/zinc/92/48/04/411924804.db2.gz SGNYFXRVQWYETI-UHFFFAOYSA-N 1 2 244.262 -0.383 20 0 BBADLO Cn1cc[nH+]c1CNc1nc2n[nH]cc2c(N)n1 ZINC000354572676 411951785 /nfs/dbraw/zinc/95/17/85/411951785.db2.gz IVVWSHBBOHTIQX-UHFFFAOYSA-N 1 2 244.262 -0.346 20 0 BBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cncnc1 ZINC000354751732 182228372 /nfs/dbraw/zinc/22/83/72/182228372.db2.gz RCCDOFIGLYWXLU-LLVKDONJSA-N 1 2 247.302 -0.794 20 0 BBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cncnc1 ZINC000354751734 182245766 /nfs/dbraw/zinc/24/57/66/182245766.db2.gz RCCDOFIGLYWXLU-NSHDSACASA-N 1 2 247.302 -0.794 20 0 BBADLO C[N@H+]1CCC[C@@H]1C(=O)NC(C)(C)c1nn[nH]n1 ZINC000354773055 173025439 /nfs/dbraw/zinc/02/54/39/173025439.db2.gz MKZCSJARURZLEX-SSDOTTSWSA-N 1 2 238.295 -0.355 20 0 BBADLO C[N@@H+]1CCC[C@@H]1C(=O)NC(C)(C)c1nn[nH]n1 ZINC000354773055 173025436 /nfs/dbraw/zinc/02/54/36/173025436.db2.gz MKZCSJARURZLEX-SSDOTTSWSA-N 1 2 238.295 -0.355 20 0 BBADLO C[N@H+]1CCC[C@H]1C(=O)NC(C)(C)c1nn[nH]n1 ZINC000354773056 173048359 /nfs/dbraw/zinc/04/83/59/173048359.db2.gz MKZCSJARURZLEX-ZETCQYMHSA-N 1 2 238.295 -0.355 20 0 BBADLO C[N@@H+]1CCC[C@H]1C(=O)NC(C)(C)c1nn[nH]n1 ZINC000354773056 173048358 /nfs/dbraw/zinc/04/83/58/173048358.db2.gz MKZCSJARURZLEX-ZETCQYMHSA-N 1 2 238.295 -0.355 20 0 BBADLO CCOC(=O)C[N@@H+](C)C[C@@](C)(O)C(=O)OCC ZINC000354785381 170215298 /nfs/dbraw/zinc/21/52/98/170215298.db2.gz MRUCXAZUERNTLC-LLVKDONJSA-N 1 2 247.291 -0.205 20 0 BBADLO CCOC(=O)C[N@H+](C)C[C@@](C)(O)C(=O)OCC ZINC000354785381 170215296 /nfs/dbraw/zinc/21/52/96/170215296.db2.gz MRUCXAZUERNTLC-LLVKDONJSA-N 1 2 247.291 -0.205 20 0 BBADLO CCOC(=O)C[N@@H+](C)C[C@](C)(O)C(=O)OCC ZINC000354785383 170215104 /nfs/dbraw/zinc/21/51/04/170215104.db2.gz MRUCXAZUERNTLC-NSHDSACASA-N 1 2 247.291 -0.205 20 0 BBADLO CCOC(=O)C[N@H+](C)C[C@](C)(O)C(=O)OCC ZINC000354785383 170215102 /nfs/dbraw/zinc/21/51/02/170215102.db2.gz MRUCXAZUERNTLC-NSHDSACASA-N 1 2 247.291 -0.205 20 0 BBADLO CC(C)[N@@H+](C)CC(=O)NC(C)(C)c1nn[nH]n1 ZINC000354790764 387429655 /nfs/dbraw/zinc/42/96/55/387429655.db2.gz OPGGYGPEWJFYGY-UHFFFAOYSA-N 1 2 240.311 -0.109 20 0 BBADLO CC(C)[N@H+](C)CC(=O)NC(C)(C)c1nn[nH]n1 ZINC000354790764 387429648 /nfs/dbraw/zinc/42/96/48/387429648.db2.gz OPGGYGPEWJFYGY-UHFFFAOYSA-N 1 2 240.311 -0.109 20 0 BBADLO CCC[N@@H+](C)CC(=O)NC(C)(C)c1nn[nH]n1 ZINC000354794257 169071321 /nfs/dbraw/zinc/07/13/21/169071321.db2.gz YVXYJDAVEPVXGM-UHFFFAOYSA-N 1 2 240.311 -0.107 20 0 BBADLO CCC[N@H+](C)CC(=O)NC(C)(C)c1nn[nH]n1 ZINC000354794257 169071318 /nfs/dbraw/zinc/07/13/18/169071318.db2.gz YVXYJDAVEPVXGM-UHFFFAOYSA-N 1 2 240.311 -0.107 20 0 BBADLO CC(C)(NC(=O)CCn1cc[nH+]c1)c1nn[nH]n1 ZINC000354799236 387429619 /nfs/dbraw/zinc/42/96/19/387429619.db2.gz FFNQOYRECDCXHM-UHFFFAOYSA-N 1 2 249.278 -0.162 20 0 BBADLO CCOC(=O)[C@](C)(O)C[N@@H+](CC)CC(=O)OC ZINC000354805779 170283847 /nfs/dbraw/zinc/28/38/47/170283847.db2.gz KBGMMWPHRRQESE-LLVKDONJSA-N 1 2 247.291 -0.205 20 0 BBADLO CCOC(=O)[C@](C)(O)C[N@H+](CC)CC(=O)OC ZINC000354805779 170283845 /nfs/dbraw/zinc/28/38/45/170283845.db2.gz KBGMMWPHRRQESE-LLVKDONJSA-N 1 2 247.291 -0.205 20 0 BBADLO CCOC(=O)[C@@](C)(O)C[N@@H+](CC)CC(=O)OC ZINC000354805790 170260877 /nfs/dbraw/zinc/26/08/77/170260877.db2.gz KBGMMWPHRRQESE-NSHDSACASA-N 1 2 247.291 -0.205 20 0 BBADLO CCOC(=O)[C@@](C)(O)C[N@H+](CC)CC(=O)OC ZINC000354805790 170260876 /nfs/dbraw/zinc/26/08/76/170260876.db2.gz KBGMMWPHRRQESE-NSHDSACASA-N 1 2 247.291 -0.205 20 0 BBADLO CCOC(=O)[C@@](C)(O)C[N@@H+](C)CC(=O)OC ZINC000354843658 170261685 /nfs/dbraw/zinc/26/16/85/170261685.db2.gz HBXAYWQPSMXYFJ-JTQLQIEISA-N 1 2 233.264 -0.595 20 0 BBADLO CCOC(=O)[C@@](C)(O)C[N@H+](C)CC(=O)OC ZINC000354843658 170261684 /nfs/dbraw/zinc/26/16/84/170261684.db2.gz HBXAYWQPSMXYFJ-JTQLQIEISA-N 1 2 233.264 -0.595 20 0 BBADLO CCOC(=O)[C@](C)(O)C[N@@H+](C)CC(=O)OC ZINC000354843660 170284108 /nfs/dbraw/zinc/28/41/08/170284108.db2.gz HBXAYWQPSMXYFJ-SNVBAGLBSA-N 1 2 233.264 -0.595 20 0 BBADLO CCOC(=O)[C@](C)(O)C[N@H+](C)CC(=O)OC ZINC000354843660 170284106 /nfs/dbraw/zinc/28/41/06/170284106.db2.gz HBXAYWQPSMXYFJ-SNVBAGLBSA-N 1 2 233.264 -0.595 20 0 BBADLO COC(=O)C1(O)CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354843848 173516152 /nfs/dbraw/zinc/51/61/52/173516152.db2.gz XVOWFRRENIUGOV-UHFFFAOYSA-N 1 2 239.275 -0.090 20 0 BBADLO CC1CC[NH+](CC(=O)Nc2nn[nH]n2)CC1 ZINC000354851751 168178971 /nfs/dbraw/zinc/17/89/71/168178971.db2.gz ITHPEAAAYNKVPZ-UHFFFAOYSA-N 1 2 224.268 -0.130 20 0 BBADLO Cc1nc(N(C)C)nc(N(C)C[C@@H](O)CO)[nH+]1 ZINC000354855953 398330996 /nfs/dbraw/zinc/33/09/96/398330996.db2.gz LENXUBMMGVLPNM-MRVPVSSYSA-N 1 2 241.295 -0.965 20 0 BBADLO Cc1nc(N(C)C[C@@H](O)CO)nc(N(C)C)[nH+]1 ZINC000354855953 398330995 /nfs/dbraw/zinc/33/09/95/398330995.db2.gz LENXUBMMGVLPNM-MRVPVSSYSA-N 1 2 241.295 -0.965 20 0 BBADLO Cc1nc(N(C)C)nc(N(C)C[C@H](O)CO)[nH+]1 ZINC000354855955 398331057 /nfs/dbraw/zinc/33/10/57/398331057.db2.gz LENXUBMMGVLPNM-QMMMGPOBSA-N 1 2 241.295 -0.965 20 0 BBADLO Cc1nc(N(C)C[C@H](O)CO)nc(N(C)C)[nH+]1 ZINC000354855955 398331055 /nfs/dbraw/zinc/33/10/55/398331055.db2.gz LENXUBMMGVLPNM-QMMMGPOBSA-N 1 2 241.295 -0.965 20 0 BBADLO CCN(C)C(=O)C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000354856481 398331105 /nfs/dbraw/zinc/33/11/05/398331105.db2.gz UBKROCGJKBYZGU-SECBINFHSA-N 1 2 227.308 -0.196 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000354856481 398331103 /nfs/dbraw/zinc/33/11/03/398331103.db2.gz UBKROCGJKBYZGU-SECBINFHSA-N 1 2 227.308 -0.196 20 0 BBADLO CCN(C)C(=O)C[N@H+]1CCCC[C@H]1C(N)=O ZINC000354856484 398331018 /nfs/dbraw/zinc/33/10/18/398331018.db2.gz UBKROCGJKBYZGU-VIFPVBQESA-N 1 2 227.308 -0.196 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000354856484 398331016 /nfs/dbraw/zinc/33/10/16/398331016.db2.gz UBKROCGJKBYZGU-VIFPVBQESA-N 1 2 227.308 -0.196 20 0 BBADLO C[C@@H]1CCC[C@@H](CO)[N@H+]1Cc1nnnn1C ZINC000354874162 176119508 /nfs/dbraw/zinc/11/95/08/176119508.db2.gz IAFDCVMPBQLGEE-BDAKNGLRSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@@H]1CCC[C@@H](CO)[N@@H+]1Cc1nnnn1C ZINC000354874162 176119507 /nfs/dbraw/zinc/11/95/07/176119507.db2.gz IAFDCVMPBQLGEE-BDAKNGLRSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@H]1CCC[C@H](CO)[N@H+]1Cc1nnnn1C ZINC000354874169 177134146 /nfs/dbraw/zinc/13/41/46/177134146.db2.gz IAFDCVMPBQLGEE-DTWKUNHWSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@H]1CCC[C@H](CO)[N@@H+]1Cc1nnnn1C ZINC000354874169 177134144 /nfs/dbraw/zinc/13/41/44/177134144.db2.gz IAFDCVMPBQLGEE-DTWKUNHWSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@H]1CCC[C@@H](CO)[N@H+]1Cc1nnnn1C ZINC000354874172 177120056 /nfs/dbraw/zinc/12/00/56/177120056.db2.gz IAFDCVMPBQLGEE-IUCAKERBSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@H]1CCC[C@@H](CO)[N@@H+]1Cc1nnnn1C ZINC000354874172 177120054 /nfs/dbraw/zinc/12/00/54/177120054.db2.gz IAFDCVMPBQLGEE-IUCAKERBSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@@H]1CCC[C@H](CO)[N@H+]1Cc1nnnn1C ZINC000354874173 176139677 /nfs/dbraw/zinc/13/96/77/176139677.db2.gz IAFDCVMPBQLGEE-RKDXNWHRSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@@H]1CCC[C@H](CO)[N@@H+]1Cc1nnnn1C ZINC000354874173 176139673 /nfs/dbraw/zinc/13/96/73/176139673.db2.gz IAFDCVMPBQLGEE-RKDXNWHRSA-N 1 2 225.296 -0.055 20 0 BBADLO O=C1N=NC2C[N@@H+](CCCCCO)CCN12 ZINC000354926816 183045396 /nfs/dbraw/zinc/04/53/96/183045396.db2.gz HJVFUXVSNLIBSC-UHFFFAOYSA-N 1 2 226.280 -0.038 20 0 BBADLO O=C1N=NC2C[N@H+](CCCCCO)CCN12 ZINC000354926816 183045392 /nfs/dbraw/zinc/04/53/92/183045392.db2.gz HJVFUXVSNLIBSC-UHFFFAOYSA-N 1 2 226.280 -0.038 20 0 BBADLO CC1(C[N@H+]2CCN3C(=O)N=NC3C2)COC1 ZINC000354930453 168027366 /nfs/dbraw/zinc/02/73/66/168027366.db2.gz YCPZIOGWJQFOTL-UHFFFAOYSA-N 1 2 224.264 -0.164 20 0 BBADLO CC1(C[N@@H+]2CCN3C(=O)N=NC3C2)COC1 ZINC000354930453 168027364 /nfs/dbraw/zinc/02/73/64/168027364.db2.gz YCPZIOGWJQFOTL-UHFFFAOYSA-N 1 2 224.264 -0.164 20 0 BBADLO C[C@H](O)CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000355023220 387465865 /nfs/dbraw/zinc/46/58/65/387465865.db2.gz WJFFSVJJPGCWFO-JTQLQIEISA-N 1 2 244.335 -0.016 20 0 BBADLO C[C@@H](O)CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000355023221 387465123 /nfs/dbraw/zinc/46/51/23/387465123.db2.gz WJFFSVJJPGCWFO-SNVBAGLBSA-N 1 2 244.335 -0.016 20 0 BBADLO COC(=O)[C@H]([NH2+][C@@H](C)Cn1cccn1)[C@@H](C)O ZINC000355032210 387467491 /nfs/dbraw/zinc/46/74/91/387467491.db2.gz ADJSAKLLJQCZIN-IVZWLZJFSA-N 1 2 241.291 -0.216 20 0 BBADLO COC(=O)[C@H]([NH2+][C@H](C)Cn1cccn1)[C@H](C)O ZINC000355032250 387467953 /nfs/dbraw/zinc/46/79/53/387467953.db2.gz ADJSAKLLJQCZIN-KXUCPTDWSA-N 1 2 241.291 -0.216 20 0 BBADLO COC(=O)[C@H]([NH2+][C@@H](C)Cn1cccn1)[C@H](C)O ZINC000355032252 387467650 /nfs/dbraw/zinc/46/76/50/387467650.db2.gz ADJSAKLLJQCZIN-LPEHRKFASA-N 1 2 241.291 -0.216 20 0 BBADLO COC(=O)[C@H]([NH2+][C@H](C)Cn1cccn1)[C@@H](C)O ZINC000355032253 173805427 /nfs/dbraw/zinc/80/54/27/173805427.db2.gz ADJSAKLLJQCZIN-OPRDCNLKSA-N 1 2 241.291 -0.216 20 0 BBADLO COCC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000355039750 174049243 /nfs/dbraw/zinc/04/92/43/174049243.db2.gz CBUGYWHLULCLEX-SECBINFHSA-N 1 2 216.281 -0.530 20 0 BBADLO COCC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000355039750 174049241 /nfs/dbraw/zinc/04/92/41/174049241.db2.gz CBUGYWHLULCLEX-SECBINFHSA-N 1 2 216.281 -0.530 20 0 BBADLO COCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355039751 174049276 /nfs/dbraw/zinc/04/92/76/174049276.db2.gz CBUGYWHLULCLEX-VIFPVBQESA-N 1 2 216.281 -0.530 20 0 BBADLO COCC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355039751 174049274 /nfs/dbraw/zinc/04/92/74/174049274.db2.gz CBUGYWHLULCLEX-VIFPVBQESA-N 1 2 216.281 -0.530 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cn[nH]n1 ZINC000355050664 176336254 /nfs/dbraw/zinc/33/62/54/176336254.db2.gz MXMCZVGNTKXIFQ-MRVPVSSYSA-N 1 2 239.279 -0.745 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cn[nH]n1 ZINC000355050664 176336252 /nfs/dbraw/zinc/33/62/52/176336252.db2.gz MXMCZVGNTKXIFQ-MRVPVSSYSA-N 1 2 239.279 -0.745 20 0 BBADLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cn[nH]n1 ZINC000355050665 177293055 /nfs/dbraw/zinc/29/30/55/177293055.db2.gz MXMCZVGNTKXIFQ-QMMMGPOBSA-N 1 2 239.279 -0.745 20 0 BBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cn[nH]n1 ZINC000355050665 177293054 /nfs/dbraw/zinc/29/30/54/177293054.db2.gz MXMCZVGNTKXIFQ-QMMMGPOBSA-N 1 2 239.279 -0.745 20 0 BBADLO CCc1nnc(C[N@@H+](C)[C@@]2(CO)CCOC2)[nH]1 ZINC000355052508 356748396 /nfs/dbraw/zinc/74/83/96/356748396.db2.gz KACJNICSKMSJAW-LLVKDONJSA-N 1 2 240.307 -0.050 20 0 BBADLO CCc1nnc(C[N@H+](C)[C@@]2(CO)CCOC2)[nH]1 ZINC000355052508 356748394 /nfs/dbraw/zinc/74/83/94/356748394.db2.gz KACJNICSKMSJAW-LLVKDONJSA-N 1 2 240.307 -0.050 20 0 BBADLO CCc1nnc(C[N@@H+](C)[C@]2(CO)CCOC2)[nH]1 ZINC000355052509 356748294 /nfs/dbraw/zinc/74/82/94/356748294.db2.gz KACJNICSKMSJAW-NSHDSACASA-N 1 2 240.307 -0.050 20 0 BBADLO CCc1nnc(C[N@H+](C)[C@]2(CO)CCOC2)[nH]1 ZINC000355052509 356748290 /nfs/dbraw/zinc/74/82/90/356748290.db2.gz KACJNICSKMSJAW-NSHDSACASA-N 1 2 240.307 -0.050 20 0 BBADLO CCCNC(=O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000355075172 169219176 /nfs/dbraw/zinc/21/91/76/169219176.db2.gz WHNDWVKEHJEZIK-UHFFFAOYSA-N 1 2 244.339 -0.284 20 0 BBADLO CCCNC(=O)C[N@H+](C)CCNC(=O)N(C)C ZINC000355075172 169219174 /nfs/dbraw/zinc/21/91/74/169219174.db2.gz WHNDWVKEHJEZIK-UHFFFAOYSA-N 1 2 244.339 -0.284 20 0 BBADLO CCc1nnc(C[N@H+]2C[C@H](O)C[C@H]2CO)[nH]1 ZINC000355077639 356749210 /nfs/dbraw/zinc/74/92/10/356749210.db2.gz MZGIKWXJFVKQRZ-JGVFFNPUSA-N 1 2 226.280 -0.705 20 0 BBADLO CCc1nnc(C[N@@H+]2C[C@H](O)C[C@H]2CO)[nH]1 ZINC000355077639 356749205 /nfs/dbraw/zinc/74/92/05/356749205.db2.gz MZGIKWXJFVKQRZ-JGVFFNPUSA-N 1 2 226.280 -0.705 20 0 BBADLO CCOCCS(=O)(=O)NCc1[nH+]ccn1C ZINC000355089396 387477005 /nfs/dbraw/zinc/47/70/05/387477005.db2.gz DXWAVYWZSVUQIE-UHFFFAOYSA-N 1 2 247.320 -0.124 20 0 BBADLO COC(=O)C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000355101684 387479492 /nfs/dbraw/zinc/47/94/92/387479492.db2.gz JGBKOSRCPFVCPK-SECBINFHSA-N 1 2 241.291 -0.305 20 0 BBADLO COC(=O)C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000355101684 387479490 /nfs/dbraw/zinc/47/94/90/387479490.db2.gz JGBKOSRCPFVCPK-SECBINFHSA-N 1 2 241.291 -0.305 20 0 BBADLO COC(=O)C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000355101685 387479319 /nfs/dbraw/zinc/47/93/19/387479319.db2.gz JGBKOSRCPFVCPK-VIFPVBQESA-N 1 2 241.291 -0.305 20 0 BBADLO COC(=O)C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000355101685 387479316 /nfs/dbraw/zinc/47/93/16/387479316.db2.gz JGBKOSRCPFVCPK-VIFPVBQESA-N 1 2 241.291 -0.305 20 0 BBADLO COCCS(=O)(=O)NCc1[nH+]ccn1C ZINC000355104334 174373367 /nfs/dbraw/zinc/37/33/67/174373367.db2.gz WUKJZSGRLSESMD-UHFFFAOYSA-N 1 2 233.293 -0.514 20 0 BBADLO COCCCS(=O)(=O)NCc1[nH+]ccn1C ZINC000355105110 174257594 /nfs/dbraw/zinc/25/75/94/174257594.db2.gz XWKBXDIIVYBIML-UHFFFAOYSA-N 1 2 247.320 -0.124 20 0 BBADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000355109348 181232497 /nfs/dbraw/zinc/23/24/97/181232497.db2.gz UQLMVOQWZITURR-MRVPVSSYSA-N 1 2 226.280 -0.992 20 0 BBADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000355109348 181232496 /nfs/dbraw/zinc/23/24/96/181232496.db2.gz UQLMVOQWZITURR-MRVPVSSYSA-N 1 2 226.280 -0.992 20 0 BBADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000355109350 181233124 /nfs/dbraw/zinc/23/31/24/181233124.db2.gz UQLMVOQWZITURR-QMMMGPOBSA-N 1 2 226.280 -0.992 20 0 BBADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000355109350 181233123 /nfs/dbraw/zinc/23/31/23/181233123.db2.gz UQLMVOQWZITURR-QMMMGPOBSA-N 1 2 226.280 -0.992 20 0 BBADLO Cn1cc[nH+]c1CNS(=O)(=O)N1CCCC1 ZINC000355111650 398331421 /nfs/dbraw/zinc/33/14/21/398331421.db2.gz RYCREYIFTWTSRP-UHFFFAOYSA-N 1 2 244.320 -0.150 20 0 BBADLO COC[C@@H](C)S(=O)(=O)NCc1[nH+]ccn1C ZINC000355114972 398331383 /nfs/dbraw/zinc/33/13/83/398331383.db2.gz WLOCJXSYTGFIJR-MRVPVSSYSA-N 1 2 247.320 -0.126 20 0 BBADLO COC[C@H](C)S(=O)(=O)NCc1[nH+]ccn1C ZINC000355114973 398331576 /nfs/dbraw/zinc/33/15/76/398331576.db2.gz WLOCJXSYTGFIJR-QMMMGPOBSA-N 1 2 247.320 -0.126 20 0 BBADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000355125635 173274688 /nfs/dbraw/zinc/27/46/88/173274688.db2.gz NCPMSTJQSVZZGV-SECBINFHSA-N 1 2 240.307 -0.732 20 0 BBADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000355125635 173274687 /nfs/dbraw/zinc/27/46/87/173274687.db2.gz NCPMSTJQSVZZGV-SECBINFHSA-N 1 2 240.307 -0.732 20 0 BBADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000355125636 173274562 /nfs/dbraw/zinc/27/45/62/173274562.db2.gz NCPMSTJQSVZZGV-VIFPVBQESA-N 1 2 240.307 -0.732 20 0 BBADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000355125636 173274561 /nfs/dbraw/zinc/27/45/61/173274561.db2.gz NCPMSTJQSVZZGV-VIFPVBQESA-N 1 2 240.307 -0.732 20 0 BBADLO O=C1NC[C@@H]2CN(Cc3c[nH]c[nH+]3)CCN12 ZINC000355140124 387485707 /nfs/dbraw/zinc/48/57/07/387485707.db2.gz SQSBOWXGCMSADF-SECBINFHSA-N 1 2 221.264 -0.381 20 0 BBADLO O=C1NC[C@@H]2CN(Cc3c[nH+]c[nH]3)CCN12 ZINC000355140124 387485700 /nfs/dbraw/zinc/48/57/00/387485700.db2.gz SQSBOWXGCMSADF-SECBINFHSA-N 1 2 221.264 -0.381 20 0 BBADLO O=C1NC[C@H]2CN(Cc3c[nH]c[nH+]3)CCN12 ZINC000355140127 387486101 /nfs/dbraw/zinc/48/61/01/387486101.db2.gz SQSBOWXGCMSADF-VIFPVBQESA-N 1 2 221.264 -0.381 20 0 BBADLO O=C1NC[C@H]2CN(Cc3c[nH+]c[nH]3)CCN12 ZINC000355140127 387486099 /nfs/dbraw/zinc/48/60/99/387486099.db2.gz SQSBOWXGCMSADF-VIFPVBQESA-N 1 2 221.264 -0.381 20 0 BBADLO COC(=O)C(C)(C)CC[NH2+]Cc1nnn(C)n1 ZINC000355143238 173501525 /nfs/dbraw/zinc/50/15/25/173501525.db2.gz ZTZMCZSTSQOQOG-UHFFFAOYSA-N 1 2 241.295 -0.111 20 0 BBADLO NC(=O)N[C@@H]1CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000355191566 181260436 /nfs/dbraw/zinc/26/04/36/181260436.db2.gz REQNSRARKUWJGS-SSDOTTSWSA-N 1 2 209.253 -0.348 20 0 BBADLO NC(=O)N[C@@H]1CC[N@H+](Cc2cc[nH]n2)C1 ZINC000355191566 181260433 /nfs/dbraw/zinc/26/04/33/181260433.db2.gz REQNSRARKUWJGS-SSDOTTSWSA-N 1 2 209.253 -0.348 20 0 BBADLO NC(=O)N[C@H]1CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000355191573 181261679 /nfs/dbraw/zinc/26/16/79/181261679.db2.gz REQNSRARKUWJGS-ZETCQYMHSA-N 1 2 209.253 -0.348 20 0 BBADLO NC(=O)N[C@H]1CC[N@H+](Cc2cc[nH]n2)C1 ZINC000355191573 181261676 /nfs/dbraw/zinc/26/16/76/181261676.db2.gz REQNSRARKUWJGS-ZETCQYMHSA-N 1 2 209.253 -0.348 20 0 BBADLO CN(C)c1ncc(C[N@@H+](C)[C@H]2CCNC2=O)cn1 ZINC000355197732 398331924 /nfs/dbraw/zinc/33/19/24/398331924.db2.gz MIGKSYPSOOUKES-JTQLQIEISA-N 1 2 249.318 -0.137 20 0 BBADLO CN(C)c1ncc(C[N@H+](C)[C@H]2CCNC2=O)cn1 ZINC000355197732 398331923 /nfs/dbraw/zinc/33/19/23/398331923.db2.gz MIGKSYPSOOUKES-JTQLQIEISA-N 1 2 249.318 -0.137 20 0 BBADLO CN(C)c1ncc(C[N@@H+](C)[C@@H]2CCNC2=O)cn1 ZINC000355197735 398331844 /nfs/dbraw/zinc/33/18/44/398331844.db2.gz MIGKSYPSOOUKES-SNVBAGLBSA-N 1 2 249.318 -0.137 20 0 BBADLO CN(C)c1ncc(C[N@H+](C)[C@@H]2CCNC2=O)cn1 ZINC000355197735 398331843 /nfs/dbraw/zinc/33/18/43/398331843.db2.gz MIGKSYPSOOUKES-SNVBAGLBSA-N 1 2 249.318 -0.137 20 0 BBADLO Cn1nccc1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000355199812 398331799 /nfs/dbraw/zinc/33/17/99/398331799.db2.gz QQWZOQVKNIHEAA-SECBINFHSA-N 1 2 208.265 -0.260 20 0 BBADLO Cn1nccc1C[N@H+](C)[C@@H]1CCNC1=O ZINC000355199812 398331797 /nfs/dbraw/zinc/33/17/97/398331797.db2.gz QQWZOQVKNIHEAA-SECBINFHSA-N 1 2 208.265 -0.260 20 0 BBADLO Cn1nccc1C[N@@H+](C)[C@H]1CCNC1=O ZINC000355199813 398331931 /nfs/dbraw/zinc/33/19/31/398331931.db2.gz QQWZOQVKNIHEAA-VIFPVBQESA-N 1 2 208.265 -0.260 20 0 BBADLO Cn1nccc1C[N@H+](C)[C@H]1CCNC1=O ZINC000355199813 398331930 /nfs/dbraw/zinc/33/19/30/398331930.db2.gz QQWZOQVKNIHEAA-VIFPVBQESA-N 1 2 208.265 -0.260 20 0 BBADLO CCCC(=O)NCC(=O)NCc1c[nH+]cn1C ZINC000355253770 538791967 /nfs/dbraw/zinc/79/19/67/538791967.db2.gz JCABOGCLYJSBGJ-UHFFFAOYSA-N 1 2 238.291 -0.047 20 0 BBADLO C[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@H](C(N)=O)O1 ZINC000355256715 177271866 /nfs/dbraw/zinc/27/18/66/177271866.db2.gz RTJVYGIERJLLRU-JGVFFNPUSA-N 1 2 224.264 -0.516 20 0 BBADLO C[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H](C(N)=O)O1 ZINC000355256718 177272331 /nfs/dbraw/zinc/27/23/31/177272331.db2.gz RTJVYGIERJLLRU-YUMQZZPRSA-N 1 2 224.264 -0.516 20 0 BBADLO COCCN1CC[N@@H+](CCC[C@@H](C)O)CC1=O ZINC000355262911 174310383 /nfs/dbraw/zinc/31/03/83/174310383.db2.gz SDYOHOGJECARTD-LLVKDONJSA-N 1 2 244.335 -0.062 20 0 BBADLO COCCN1CC[N@H+](CCC[C@@H](C)O)CC1=O ZINC000355262911 174310382 /nfs/dbraw/zinc/31/03/82/174310382.db2.gz SDYOHOGJECARTD-LLVKDONJSA-N 1 2 244.335 -0.062 20 0 BBADLO COCCN1CC[N@@H+](CCC[C@H](C)O)CC1=O ZINC000355262914 174309847 /nfs/dbraw/zinc/30/98/47/174309847.db2.gz SDYOHOGJECARTD-NSHDSACASA-N 1 2 244.335 -0.062 20 0 BBADLO COCCN1CC[N@H+](CCC[C@H](C)O)CC1=O ZINC000355262914 174309846 /nfs/dbraw/zinc/30/98/46/174309846.db2.gz SDYOHOGJECARTD-NSHDSACASA-N 1 2 244.335 -0.062 20 0 BBADLO C[C@H]1CN(Cc2c[nH]c[nH+]2)C[C@@H](C(N)=O)O1 ZINC000355265719 177268928 /nfs/dbraw/zinc/26/89/28/177268928.db2.gz QAHYDOOYLNATRX-CBAPKCEASA-N 1 2 224.264 -0.516 20 0 BBADLO C[C@H]1CN(Cc2c[nH+]c[nH]2)C[C@@H](C(N)=O)O1 ZINC000355265719 177268926 /nfs/dbraw/zinc/26/89/26/177268926.db2.gz QAHYDOOYLNATRX-CBAPKCEASA-N 1 2 224.264 -0.516 20 0 BBADLO C[C@H]1CN(Cc2c[nH]c[nH+]2)C[C@H](C(N)=O)O1 ZINC000355265721 177269542 /nfs/dbraw/zinc/26/95/42/177269542.db2.gz QAHYDOOYLNATRX-IONNQARKSA-N 1 2 224.264 -0.516 20 0 BBADLO C[C@H]1CN(Cc2c[nH+]c[nH]2)C[C@H](C(N)=O)O1 ZINC000355265721 177269540 /nfs/dbraw/zinc/26/95/40/177269540.db2.gz QAHYDOOYLNATRX-IONNQARKSA-N 1 2 224.264 -0.516 20 0 BBADLO COCCOCC[NH+]1CCN(C[C@@H](C)O)CC1 ZINC000355284210 174353428 /nfs/dbraw/zinc/35/34/28/174353428.db2.gz FAGCXFCUZGJDFX-GFCCVEGCSA-N 1 2 246.351 -0.352 20 0 BBADLO COCCOCC[NH+]1CCN(C[C@H](C)O)CC1 ZINC000355284212 174353062 /nfs/dbraw/zinc/35/30/62/174353062.db2.gz FAGCXFCUZGJDFX-LBPRGKRZSA-N 1 2 246.351 -0.352 20 0 BBADLO C[C@](O)(CO)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000355293469 387514581 /nfs/dbraw/zinc/51/45/81/387514581.db2.gz UEEONKGCTLYVAR-GFCCVEGCSA-N 1 2 249.270 -0.193 20 0 BBADLO C[C@@](O)(CO)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000355293470 387513433 /nfs/dbraw/zinc/51/34/33/387513433.db2.gz UEEONKGCTLYVAR-LBPRGKRZSA-N 1 2 249.270 -0.193 20 0 BBADLO CC[N@@H+](CC(N)=O)Cc1cnc(N(C)C)nc1 ZINC000355355744 387522706 /nfs/dbraw/zinc/52/27/06/387522706.db2.gz WCURIDCGDQGDDP-UHFFFAOYSA-N 1 2 237.307 -0.150 20 0 BBADLO CC[N@H+](CC(N)=O)Cc1cnc(N(C)C)nc1 ZINC000355355744 387522701 /nfs/dbraw/zinc/52/27/01/387522701.db2.gz WCURIDCGDQGDDP-UHFFFAOYSA-N 1 2 237.307 -0.150 20 0 BBADLO COC(=O)CC[N@@H+](Cc1nnnn1C)C(C)C ZINC000355365878 387528219 /nfs/dbraw/zinc/52/82/19/387528219.db2.gz JMYYKZNSGGUNSH-UHFFFAOYSA-N 1 2 241.295 -0.016 20 0 BBADLO COC(=O)CC[N@H+](Cc1nnnn1C)C(C)C ZINC000355365878 387528217 /nfs/dbraw/zinc/52/82/17/387528217.db2.gz JMYYKZNSGGUNSH-UHFFFAOYSA-N 1 2 241.295 -0.016 20 0 BBADLO CC[N@@H+](CCCS(N)(=O)=O)CC(=O)OC ZINC000355395607 387531553 /nfs/dbraw/zinc/53/15/53/387531553.db2.gz VMPLJEIXBVBDMB-UHFFFAOYSA-N 1 2 238.309 -0.840 20 0 BBADLO CC[N@H+](CCCS(N)(=O)=O)CC(=O)OC ZINC000355395607 387531549 /nfs/dbraw/zinc/53/15/49/387531549.db2.gz VMPLJEIXBVBDMB-UHFFFAOYSA-N 1 2 238.309 -0.840 20 0 BBADLO NC(=O)C[NH+](CC(N)=O)CC1CCCC1 ZINC000355403112 181229520 /nfs/dbraw/zinc/22/95/20/181229520.db2.gz SUHZTFBMNMZAOO-UHFFFAOYSA-N 1 2 213.281 -0.551 20 0 BBADLO Cc1cc(N2C[C@@H](O)C[C@@H]2CO)nc[nH+]1 ZINC000355539216 178121363 /nfs/dbraw/zinc/12/13/63/178121363.db2.gz CXKGSGAWXOSWSW-BDAKNGLRSA-N 1 2 209.249 -0.283 20 0 BBADLO Cc1cc(N2C[C@H](O)C[C@H]2CO)nc[nH+]1 ZINC000355539219 178122064 /nfs/dbraw/zinc/12/20/64/178122064.db2.gz CXKGSGAWXOSWSW-DTWKUNHWSA-N 1 2 209.249 -0.283 20 0 BBADLO Cc1cc(N2C[C@@H](O)C[C@H]2CO)nc[nH+]1 ZINC000355539220 178121594 /nfs/dbraw/zinc/12/15/94/178121594.db2.gz CXKGSGAWXOSWSW-IUCAKERBSA-N 1 2 209.249 -0.283 20 0 BBADLO Cc1cc(N2C[C@H](O)C[C@@H]2CO)nc[nH+]1 ZINC000355539221 178122287 /nfs/dbraw/zinc/12/22/87/178122287.db2.gz CXKGSGAWXOSWSW-RKDXNWHRSA-N 1 2 209.249 -0.283 20 0 BBADLO Cc1nc(N2C[C@@H](O)C[C@@H]2CO)cc[nH+]1 ZINC000355554833 180194092 /nfs/dbraw/zinc/19/40/92/180194092.db2.gz XQFSLVIIIQXVDJ-BDAKNGLRSA-N 1 2 209.249 -0.283 20 0 BBADLO Cc1nc(N2C[C@H](O)C[C@H]2CO)cc[nH+]1 ZINC000355554834 180194756 /nfs/dbraw/zinc/19/47/56/180194756.db2.gz XQFSLVIIIQXVDJ-DTWKUNHWSA-N 1 2 209.249 -0.283 20 0 BBADLO Cc1nc(N2C[C@@H](O)C[C@H]2CO)cc[nH+]1 ZINC000355554835 180194428 /nfs/dbraw/zinc/19/44/28/180194428.db2.gz XQFSLVIIIQXVDJ-IUCAKERBSA-N 1 2 209.249 -0.283 20 0 BBADLO Cc1nc(N2C[C@H](O)C[C@@H]2CO)cc[nH+]1 ZINC000355554836 180194785 /nfs/dbraw/zinc/19/47/85/180194785.db2.gz XQFSLVIIIQXVDJ-RKDXNWHRSA-N 1 2 209.249 -0.283 20 0 BBADLO CC[N@@H+](CC(N)=O)CC1(CS(C)(=O)=O)CC1 ZINC000355564653 387552650 /nfs/dbraw/zinc/55/26/50/387552650.db2.gz RJJWJQWTUSKSBS-UHFFFAOYSA-N 1 2 248.348 -0.382 20 0 BBADLO CC[N@H+](CC(N)=O)CC1(CS(C)(=O)=O)CC1 ZINC000355564653 387552643 /nfs/dbraw/zinc/55/26/43/387552643.db2.gz RJJWJQWTUSKSBS-UHFFFAOYSA-N 1 2 248.348 -0.382 20 0 BBADLO CC[N@@H+](CC(N)=O)Cc1cc(=O)c(OC)co1 ZINC000355636008 387560118 /nfs/dbraw/zinc/56/01/18/387560118.db2.gz PLYUWMUCHGRQIC-UHFFFAOYSA-N 1 2 240.259 -0.044 20 0 BBADLO CC[N@H+](CC(N)=O)Cc1cc(=O)c(OC)co1 ZINC000355636008 387560114 /nfs/dbraw/zinc/56/01/14/387560114.db2.gz PLYUWMUCHGRQIC-UHFFFAOYSA-N 1 2 240.259 -0.044 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cnc[nH]1 ZINC000355694992 176336669 /nfs/dbraw/zinc/33/66/69/176336669.db2.gz HGHHLOZOLAQOFT-SECBINFHSA-N 1 2 238.291 -0.140 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cnc[nH]1 ZINC000355694992 176336667 /nfs/dbraw/zinc/33/66/67/176336667.db2.gz HGHHLOZOLAQOFT-SECBINFHSA-N 1 2 238.291 -0.140 20 0 BBADLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cnc[nH]1 ZINC000355694993 177292231 /nfs/dbraw/zinc/29/22/31/177292231.db2.gz HGHHLOZOLAQOFT-VIFPVBQESA-N 1 2 238.291 -0.140 20 0 BBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cnc[nH]1 ZINC000355694993 177292230 /nfs/dbraw/zinc/29/22/30/177292230.db2.gz HGHHLOZOLAQOFT-VIFPVBQESA-N 1 2 238.291 -0.140 20 0 BBADLO Cn1nnnc1C[N@@H+](CCCCO)C1CC1 ZINC000355734680 387573885 /nfs/dbraw/zinc/57/38/85/387573885.db2.gz NPEQGZNKNLKWDG-UHFFFAOYSA-N 1 2 225.296 -0.053 20 0 BBADLO Cn1nnnc1C[N@H+](CCCCO)C1CC1 ZINC000355734680 387573880 /nfs/dbraw/zinc/57/38/80/387573880.db2.gz NPEQGZNKNLKWDG-UHFFFAOYSA-N 1 2 225.296 -0.053 20 0 BBADLO C[C@H](CCS(C)(=O)=O)NC(=O)C[NH+](C)C ZINC000355739665 387575903 /nfs/dbraw/zinc/57/59/03/387575903.db2.gz SZICPDJVNHNGQX-MRVPVSSYSA-N 1 2 236.337 -0.513 20 0 BBADLO C[C@@H](CCS(C)(=O)=O)NC(=O)C[NH+](C)C ZINC000355739667 387575357 /nfs/dbraw/zinc/57/53/57/387575357.db2.gz SZICPDJVNHNGQX-QMMMGPOBSA-N 1 2 236.337 -0.513 20 0 BBADLO COCC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000355753121 174043594 /nfs/dbraw/zinc/04/35/94/174043594.db2.gz QQEZXKUOIARIDX-JTQLQIEISA-N 1 2 228.292 -0.434 20 0 BBADLO COCC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000355753124 174042853 /nfs/dbraw/zinc/04/28/53/174042853.db2.gz QQEZXKUOIARIDX-SNVBAGLBSA-N 1 2 228.292 -0.434 20 0 BBADLO CCN(CC(N)=O)C(=O)CCn1cc[nH+]c1 ZINC000355836313 387583952 /nfs/dbraw/zinc/58/39/52/387583952.db2.gz RYKAHZZBRWFLAN-UHFFFAOYSA-N 1 2 224.264 -0.393 20 0 BBADLO COc1n[nH]c(NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000355862025 387586703 /nfs/dbraw/zinc/58/67/03/387586703.db2.gz JCWQXAVEZBYXCX-LURJTMIESA-N 1 2 241.251 -0.918 20 0 BBADLO COc1n[nH]c(NC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000355862025 387586700 /nfs/dbraw/zinc/58/67/00/387586700.db2.gz JCWQXAVEZBYXCX-LURJTMIESA-N 1 2 241.251 -0.918 20 0 BBADLO COc1n[nH]c(NC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000355862029 387586727 /nfs/dbraw/zinc/58/67/27/387586727.db2.gz JCWQXAVEZBYXCX-ZCFIWIBFSA-N 1 2 241.251 -0.918 20 0 BBADLO COc1n[nH]c(NC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC000355862029 387586722 /nfs/dbraw/zinc/58/67/22/387586722.db2.gz JCWQXAVEZBYXCX-ZCFIWIBFSA-N 1 2 241.251 -0.918 20 0 BBADLO NC(=O)CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000355863484 181219274 /nfs/dbraw/zinc/21/92/74/181219274.db2.gz GHGJZPVIJUUXDP-UHFFFAOYSA-N 1 2 232.243 -0.174 20 0 BBADLO CC[N@@H+](CCC(=O)OC)Cc1nnnn1C ZINC000355864433 387585694 /nfs/dbraw/zinc/58/56/94/387585694.db2.gz QPGOQUVWJAQYNO-UHFFFAOYSA-N 1 2 227.268 -0.405 20 0 BBADLO CC[N@H+](CCC(=O)OC)Cc1nnnn1C ZINC000355864433 387585690 /nfs/dbraw/zinc/58/56/90/387585690.db2.gz QPGOQUVWJAQYNO-UHFFFAOYSA-N 1 2 227.268 -0.405 20 0 BBADLO CNC(=O)c1cccc(C[N@@H+](C)CC(N)=O)c1 ZINC000355866641 173311628 /nfs/dbraw/zinc/31/16/28/173311628.db2.gz TYXFICHBUMNAIK-UHFFFAOYSA-N 1 2 235.287 -0.037 20 0 BBADLO CNC(=O)c1cccc(C[N@H+](C)CC(N)=O)c1 ZINC000355866641 173311627 /nfs/dbraw/zinc/31/16/27/173311627.db2.gz TYXFICHBUMNAIK-UHFFFAOYSA-N 1 2 235.287 -0.037 20 0 BBADLO COCC[N@@H+](CC(=O)OC)[C@@H]1CCOC1 ZINC000355906621 174286579 /nfs/dbraw/zinc/28/65/79/174286579.db2.gz HYBDFRANOCCVFW-SECBINFHSA-N 1 2 217.265 -0.103 20 0 BBADLO COCC[N@H+](CC(=O)OC)[C@@H]1CCOC1 ZINC000355906621 174286578 /nfs/dbraw/zinc/28/65/78/174286578.db2.gz HYBDFRANOCCVFW-SECBINFHSA-N 1 2 217.265 -0.103 20 0 BBADLO COCC[N@@H+](CC(=O)OC)[C@H]1CCOC1 ZINC000355906622 174285888 /nfs/dbraw/zinc/28/58/88/174285888.db2.gz HYBDFRANOCCVFW-VIFPVBQESA-N 1 2 217.265 -0.103 20 0 BBADLO COCC[N@H+](CC(=O)OC)[C@H]1CCOC1 ZINC000355906622 174285886 /nfs/dbraw/zinc/28/58/86/174285886.db2.gz HYBDFRANOCCVFW-VIFPVBQESA-N 1 2 217.265 -0.103 20 0 BBADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC(F)C1 ZINC000355927747 167046445 /nfs/dbraw/zinc/04/64/45/167046445.db2.gz XAWZHJVKZFMBMS-UHFFFAOYSA-N 1 2 245.298 -0.377 20 0 BBADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC(F)C1 ZINC000355927747 167046443 /nfs/dbraw/zinc/04/64/43/167046443.db2.gz XAWZHJVKZFMBMS-UHFFFAOYSA-N 1 2 245.298 -0.377 20 0 BBADLO COCCC[N@@H+](CCOC)Cc1nnnn1C ZINC000356025871 174227021 /nfs/dbraw/zinc/22/70/21/174227021.db2.gz SYJCZFUGCMGIEF-UHFFFAOYSA-N 1 2 243.311 -0.305 20 0 BBADLO COCCC[N@H+](CCOC)Cc1nnnn1C ZINC000356025871 174227018 /nfs/dbraw/zinc/22/70/18/174227018.db2.gz SYJCZFUGCMGIEF-UHFFFAOYSA-N 1 2 243.311 -0.305 20 0 BBADLO Cn1nnnc1C[N@H+]1CCCC[C@@H]1CO ZINC000356028773 387608504 /nfs/dbraw/zinc/60/85/04/387608504.db2.gz LQLATEXQCKVBKI-MRVPVSSYSA-N 1 2 211.269 -0.443 20 0 BBADLO Cn1nnnc1C[N@@H+]1CCCC[C@@H]1CO ZINC000356028773 387608497 /nfs/dbraw/zinc/60/84/97/387608497.db2.gz LQLATEXQCKVBKI-MRVPVSSYSA-N 1 2 211.269 -0.443 20 0 BBADLO Cn1nnnc1C[N@H+]1CCCC[C@H]1CO ZINC000356028774 387608460 /nfs/dbraw/zinc/60/84/60/387608460.db2.gz LQLATEXQCKVBKI-QMMMGPOBSA-N 1 2 211.269 -0.443 20 0 BBADLO Cn1nnnc1C[N@@H+]1CCCC[C@H]1CO ZINC000356028774 387608456 /nfs/dbraw/zinc/60/84/56/387608456.db2.gz LQLATEXQCKVBKI-QMMMGPOBSA-N 1 2 211.269 -0.443 20 0 BBADLO COCC[N@@H+](Cc1nnnn1C)C1CC1 ZINC000356029731 174302807 /nfs/dbraw/zinc/30/28/07/174302807.db2.gz QYBJZSXCMXETLE-UHFFFAOYSA-N 1 2 211.269 -0.179 20 0 BBADLO COCC[N@H+](Cc1nnnn1C)C1CC1 ZINC000356029731 174302805 /nfs/dbraw/zinc/30/28/05/174302805.db2.gz QYBJZSXCMXETLE-UHFFFAOYSA-N 1 2 211.269 -0.179 20 0 BBADLO C[C@@H]1[C@H](C)N(S(=O)(=O)N(C)C)CC[N@@H+]1C ZINC000356071036 387613505 /nfs/dbraw/zinc/61/35/05/387613505.db2.gz MVMHRQYRFXSUCS-BDAKNGLRSA-N 1 2 235.353 -0.183 20 0 BBADLO C[C@@H]1[C@H](C)N(S(=O)(=O)N(C)C)CC[N@H+]1C ZINC000356071036 387613503 /nfs/dbraw/zinc/61/35/03/387613503.db2.gz MVMHRQYRFXSUCS-BDAKNGLRSA-N 1 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/nfs/dbraw/zinc/61/19/80/387611980.db2.gz MVMHRQYRFXSUCS-RKDXNWHRSA-N 1 2 235.353 -0.183 20 0 BBADLO COCCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356127092 174324232 /nfs/dbraw/zinc/32/42/32/174324232.db2.gz CMWYJINSFFERNH-JTQLQIEISA-N 1 2 245.323 -0.347 20 0 BBADLO COCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356127092 174324231 /nfs/dbraw/zinc/32/42/31/174324231.db2.gz CMWYJINSFFERNH-JTQLQIEISA-N 1 2 245.323 -0.347 20 0 BBADLO COCCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356127093 174324084 /nfs/dbraw/zinc/32/40/84/174324084.db2.gz CMWYJINSFFERNH-SNVBAGLBSA-N 1 2 245.323 -0.347 20 0 BBADLO COCCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356127093 174324083 /nfs/dbraw/zinc/32/40/83/174324083.db2.gz CMWYJINSFFERNH-SNVBAGLBSA-N 1 2 245.323 -0.347 20 0 BBADLO Cc1c[nH]nc1C[N@H+](C)[C@H]1COC[C@@H]1O ZINC000356322773 387644571 /nfs/dbraw/zinc/64/45/71/387644571.db2.gz RVCMAHZLNONRMG-UWVGGRQHSA-N 1 2 211.265 -0.090 20 0 BBADLO Cc1c[nH]nc1C[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000356322773 387644568 /nfs/dbraw/zinc/64/45/68/387644568.db2.gz RVCMAHZLNONRMG-UWVGGRQHSA-N 1 2 211.265 -0.090 20 0 BBADLO Cc1cn[nH]c1C[N@H+](C)[C@H]1COC[C@@H]1O ZINC000356322773 387644565 /nfs/dbraw/zinc/64/45/65/387644565.db2.gz RVCMAHZLNONRMG-UWVGGRQHSA-N 1 2 211.265 -0.090 20 0 BBADLO Cc1cn[nH]c1C[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000356322773 387644563 /nfs/dbraw/zinc/64/45/63/387644563.db2.gz RVCMAHZLNONRMG-UWVGGRQHSA-N 1 2 211.265 -0.090 20 0 BBADLO Cc1c[nH]nc1C[N@H+](C)[C@H]1COC[C@H]1O ZINC000356322774 387643938 /nfs/dbraw/zinc/64/39/38/387643938.db2.gz RVCMAHZLNONRMG-VHSXEESVSA-N 1 2 211.265 -0.090 20 0 BBADLO Cc1c[nH]nc1C[N@@H+](C)[C@H]1COC[C@H]1O ZINC000356322774 387643934 /nfs/dbraw/zinc/64/39/34/387643934.db2.gz RVCMAHZLNONRMG-VHSXEESVSA-N 1 2 211.265 -0.090 20 0 BBADLO Cc1cn[nH]c1C[N@H+](C)[C@H]1COC[C@H]1O ZINC000356322774 387643930 /nfs/dbraw/zinc/64/39/30/387643930.db2.gz RVCMAHZLNONRMG-VHSXEESVSA-N 1 2 211.265 -0.090 20 0 BBADLO Cc1cn[nH]c1C[N@@H+](C)[C@H]1COC[C@H]1O ZINC000356322774 387643927 /nfs/dbraw/zinc/64/39/27/387643927.db2.gz RVCMAHZLNONRMG-VHSXEESVSA-N 1 2 211.265 -0.090 20 0 BBADLO Cc1c[nH]nc1C[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000356322776 387642813 /nfs/dbraw/zinc/64/28/13/387642813.db2.gz RVCMAHZLNONRMG-ZJUUUORDSA-N 1 2 211.265 -0.090 20 0 BBADLO Cc1c[nH]nc1C[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000356322776 387642810 /nfs/dbraw/zinc/64/28/10/387642810.db2.gz RVCMAHZLNONRMG-ZJUUUORDSA-N 1 2 211.265 -0.090 20 0 BBADLO Cc1cn[nH]c1C[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000356322776 387642804 /nfs/dbraw/zinc/64/28/04/387642804.db2.gz RVCMAHZLNONRMG-ZJUUUORDSA-N 1 2 211.265 -0.090 20 0 BBADLO Cc1cn[nH]c1C[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000356322776 387642801 /nfs/dbraw/zinc/64/28/01/387642801.db2.gz RVCMAHZLNONRMG-ZJUUUORDSA-N 1 2 211.265 -0.090 20 0 BBADLO CNC(=O)CC[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000356360142 173253373 /nfs/dbraw/zinc/25/33/73/173253373.db2.gz HESDMNZYZFYEHD-UHFFFAOYSA-N 1 2 227.308 -0.325 20 0 BBADLO CNC(=O)CC[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000356360142 173253369 /nfs/dbraw/zinc/25/33/69/173253369.db2.gz HESDMNZYZFYEHD-UHFFFAOYSA-N 1 2 227.308 -0.325 20 0 BBADLO C[C@H]1COCC[N@H+]1CCNC(=O)NCCCO ZINC000356371861 177292373 /nfs/dbraw/zinc/29/23/73/177292373.db2.gz XYKAJOGPLKDMOL-JTQLQIEISA-N 1 2 245.323 -0.611 20 0 BBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCCCO ZINC000356371861 177292372 /nfs/dbraw/zinc/29/23/72/177292372.db2.gz XYKAJOGPLKDMOL-JTQLQIEISA-N 1 2 245.323 -0.611 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCCCO ZINC000356371863 176336439 /nfs/dbraw/zinc/33/64/39/176336439.db2.gz XYKAJOGPLKDMOL-SNVBAGLBSA-N 1 2 245.323 -0.611 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCCO ZINC000356371863 176336437 /nfs/dbraw/zinc/33/64/37/176336437.db2.gz XYKAJOGPLKDMOL-SNVBAGLBSA-N 1 2 245.323 -0.611 20 0 BBADLO CCOC[C@H](O)C[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000356372298 386386101 /nfs/dbraw/zinc/38/61/01/386386101.db2.gz PRWMBCKNKYOBBP-LLVKDONJSA-N 1 2 244.335 -0.064 20 0 BBADLO CCOC[C@H](O)C[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000356372298 386386095 /nfs/dbraw/zinc/38/60/95/386386095.db2.gz PRWMBCKNKYOBBP-LLVKDONJSA-N 1 2 244.335 -0.064 20 0 BBADLO CCOC[C@@H](O)C[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000356372299 386386610 /nfs/dbraw/zinc/38/66/10/386386610.db2.gz PRWMBCKNKYOBBP-NSHDSACASA-N 1 2 244.335 -0.064 20 0 BBADLO CCOC[C@@H](O)C[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000356372299 386386605 /nfs/dbraw/zinc/38/66/05/386386605.db2.gz PRWMBCKNKYOBBP-NSHDSACASA-N 1 2 244.335 -0.064 20 0 BBADLO COC[C@@H](O)C[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000356377158 387649182 /nfs/dbraw/zinc/64/91/82/387649182.db2.gz XERCAJITVDFDGD-JTQLQIEISA-N 1 2 230.308 -0.454 20 0 BBADLO COC[C@@H](O)C[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000356377158 387649174 /nfs/dbraw/zinc/64/91/74/387649174.db2.gz XERCAJITVDFDGD-JTQLQIEISA-N 1 2 230.308 -0.454 20 0 BBADLO COC[C@H](O)C[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000356377164 387649376 /nfs/dbraw/zinc/64/93/76/387649376.db2.gz XERCAJITVDFDGD-SNVBAGLBSA-N 1 2 230.308 -0.454 20 0 BBADLO COC[C@H](O)C[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000356377164 387649372 /nfs/dbraw/zinc/64/93/72/387649372.db2.gz XERCAJITVDFDGD-SNVBAGLBSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@H](CO)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356382840 387652281 /nfs/dbraw/zinc/65/22/81/387652281.db2.gz WUKMBRJLVKTMMJ-NXEZZACHSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@H](CO)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356382840 387652276 /nfs/dbraw/zinc/65/22/76/387652276.db2.gz WUKMBRJLVKTMMJ-NXEZZACHSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@@H](CO)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356382841 386412813 /nfs/dbraw/zinc/41/28/13/386412813.db2.gz WUKMBRJLVKTMMJ-UWVGGRQHSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@@H](CO)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356382841 386412811 /nfs/dbraw/zinc/41/28/11/386412811.db2.gz WUKMBRJLVKTMMJ-UWVGGRQHSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@@H](CO)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356382843 386414241 /nfs/dbraw/zinc/41/42/41/386414241.db2.gz WUKMBRJLVKTMMJ-VHSXEESVSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@@H](CO)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356382843 386414233 /nfs/dbraw/zinc/41/42/33/386414233.db2.gz WUKMBRJLVKTMMJ-VHSXEESVSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@H](CO)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356382846 177292420 /nfs/dbraw/zinc/29/24/20/177292420.db2.gz WUKMBRJLVKTMMJ-ZJUUUORDSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@H](CO)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356382846 177292419 /nfs/dbraw/zinc/29/24/19/177292419.db2.gz WUKMBRJLVKTMMJ-ZJUUUORDSA-N 1 2 245.323 -0.613 20 0 BBADLO CC(C)N1CC[N@@H+](CCOCCO)CC1=O ZINC000356386321 187212916 /nfs/dbraw/zinc/21/29/16/187212916.db2.gz LSUSHLAICLFYQB-UHFFFAOYSA-N 1 2 230.308 -0.452 20 0 BBADLO CC(C)N1CC[N@H+](CCOCCO)CC1=O ZINC000356386321 187212914 /nfs/dbraw/zinc/21/29/14/187212914.db2.gz LSUSHLAICLFYQB-UHFFFAOYSA-N 1 2 230.308 -0.452 20 0 BBADLO CC(C)N1CC[N@@H+](CCCO)CC1=O ZINC000356395034 187376934 /nfs/dbraw/zinc/37/69/34/187376934.db2.gz SUTZLPVJABQCMC-UHFFFAOYSA-N 1 2 200.282 -0.079 20 0 BBADLO CC(C)N1CC[N@H+](CCCO)CC1=O ZINC000356395034 187376933 /nfs/dbraw/zinc/37/69/33/187376933.db2.gz SUTZLPVJABQCMC-UHFFFAOYSA-N 1 2 200.282 -0.079 20 0 BBADLO Cc1c[nH]nc1C[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000356411687 386470369 /nfs/dbraw/zinc/47/03/69/386470369.db2.gz YESUNPRWWATWOD-MRVPVSSYSA-N 1 2 244.320 -0.419 20 0 BBADLO Cc1c[nH]nc1C[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000356411687 386470365 /nfs/dbraw/zinc/47/03/65/386470365.db2.gz YESUNPRWWATWOD-MRVPVSSYSA-N 1 2 244.320 -0.419 20 0 BBADLO Cc1c[nH]nc1C[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000356411689 386470022 /nfs/dbraw/zinc/47/00/22/386470022.db2.gz YESUNPRWWATWOD-QMMMGPOBSA-N 1 2 244.320 -0.419 20 0 BBADLO Cc1c[nH]nc1C[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000356411689 386470017 /nfs/dbraw/zinc/47/00/17/386470017.db2.gz YESUNPRWWATWOD-QMMMGPOBSA-N 1 2 244.320 -0.419 20 0 BBADLO CCN(C)C(=O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000356418299 538809193 /nfs/dbraw/zinc/80/91/93/538809193.db2.gz BIHOXYQOAVXNCL-UHFFFAOYSA-N 1 2 238.291 -0.063 20 0 BBADLO CCN(C)C(=O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000356418299 538809188 /nfs/dbraw/zinc/80/91/88/538809188.db2.gz BIHOXYQOAVXNCL-UHFFFAOYSA-N 1 2 238.291 -0.063 20 0 BBADLO CCN(C)C(=O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000356436147 387659523 /nfs/dbraw/zinc/65/95/23/387659523.db2.gz RZAXMBCCUWVJJB-UHFFFAOYSA-N 1 2 238.291 -0.063 20 0 BBADLO CC(=O)N1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000356455630 188238884 /nfs/dbraw/zinc/23/88/84/188238884.db2.gz AVXJWLJQIUCSLR-UHFFFAOYSA-N 1 2 225.292 -0.617 20 0 BBADLO CCNC(=O)C[N@@H+](CC)CC(=O)N1CCC1 ZINC000356456566 170056349 /nfs/dbraw/zinc/05/63/49/170056349.db2.gz GBNWLALRYNZTLF-UHFFFAOYSA-N 1 2 227.308 -0.323 20 0 BBADLO CCNC(=O)C[N@H+](CC)CC(=O)N1CCC1 ZINC000356456566 170056348 /nfs/dbraw/zinc/05/63/48/170056348.db2.gz GBNWLALRYNZTLF-UHFFFAOYSA-N 1 2 227.308 -0.323 20 0 BBADLO CN(C)C(=O)C[N@@H+](C)CC(=O)N1CCC1 ZINC000356465548 387662070 /nfs/dbraw/zinc/66/20/70/387662070.db2.gz SCDHBNDSMOCJLF-UHFFFAOYSA-N 1 2 213.281 -0.761 20 0 BBADLO CN(C)C(=O)C[N@H+](C)CC(=O)N1CCC1 ZINC000356465548 387662067 /nfs/dbraw/zinc/66/20/67/387662067.db2.gz SCDHBNDSMOCJLF-UHFFFAOYSA-N 1 2 213.281 -0.761 20 0 BBADLO Cc1[nH]c(C(=O)NC[C@@H]2CC[C@H](CO)O2)c[nH+]1 ZINC000356540930 180130564 /nfs/dbraw/zinc/13/05/64/180130564.db2.gz CYMPZAAPUVCBJN-DTWKUNHWSA-N 1 2 239.275 -0.012 20 0 BBADLO Cc1[nH]c(C(=O)NC[C@@H]2CC[C@@H](CO)O2)c[nH+]1 ZINC000356540931 180130570 /nfs/dbraw/zinc/13/05/70/180130570.db2.gz CYMPZAAPUVCBJN-IUCAKERBSA-N 1 2 239.275 -0.012 20 0 BBADLO Cc1[nH]c(C(=O)NC[C@H]2CC[C@H](CO)O2)c[nH+]1 ZINC000356540932 180132274 /nfs/dbraw/zinc/13/22/74/180132274.db2.gz CYMPZAAPUVCBJN-RKDXNWHRSA-N 1 2 239.275 -0.012 20 0 BBADLO CNC(=O)CC(=O)Nc1cc[nH+]cc1C ZINC000356623281 173230534 /nfs/dbraw/zinc/23/05/34/173230534.db2.gz NVHNPZFWVOGNAC-UHFFFAOYSA-N 1 2 207.233 -0.113 20 0 BBADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)CC(N)=O ZINC000356737745 387711873 /nfs/dbraw/zinc/71/18/73/387711873.db2.gz LYHVOVJDFGHCMB-MRVPVSSYSA-N 1 2 215.297 -0.341 20 0 BBADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)CC(N)=O ZINC000356737745 387711867 /nfs/dbraw/zinc/71/18/67/387711867.db2.gz LYHVOVJDFGHCMB-MRVPVSSYSA-N 1 2 215.297 -0.341 20 0 BBADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+](C)CC(N)=O ZINC000356737748 187213796 /nfs/dbraw/zinc/21/37/96/187213796.db2.gz LYHVOVJDFGHCMB-QMMMGPOBSA-N 1 2 215.297 -0.341 20 0 BBADLO CC(C)N(C)C(=O)[C@H](C)[N@H+](C)CC(N)=O ZINC000356737748 187213794 /nfs/dbraw/zinc/21/37/94/187213794.db2.gz LYHVOVJDFGHCMB-QMMMGPOBSA-N 1 2 215.297 -0.341 20 0 BBADLO CC(C)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1=O ZINC000356745791 387712656 /nfs/dbraw/zinc/71/26/56/387712656.db2.gz YCLNESGTNRLKJA-MRVPVSSYSA-N 1 2 213.281 -0.587 20 0 BBADLO CC(C)N1CC[C@@H]([N@H+](C)CC(N)=O)C1=O ZINC000356745791 387712652 /nfs/dbraw/zinc/71/26/52/387712652.db2.gz YCLNESGTNRLKJA-MRVPVSSYSA-N 1 2 213.281 -0.587 20 0 BBADLO CC(C)N1CC[C@H]([N@@H+](C)CC(N)=O)C1=O ZINC000356745792 187377665 /nfs/dbraw/zinc/37/76/65/187377665.db2.gz YCLNESGTNRLKJA-QMMMGPOBSA-N 1 2 213.281 -0.587 20 0 BBADLO CC(C)N1CC[C@H]([N@H+](C)CC(N)=O)C1=O ZINC000356745792 187377664 /nfs/dbraw/zinc/37/76/64/187377664.db2.gz YCLNESGTNRLKJA-QMMMGPOBSA-N 1 2 213.281 -0.587 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC000356754756 538815080 /nfs/dbraw/zinc/81/50/80/538815080.db2.gz NEBGNMGHBHCISK-MRVPVSSYSA-N 1 2 236.275 -0.485 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC000356754757 538814523 /nfs/dbraw/zinc/81/45/23/538814523.db2.gz NEBGNMGHBHCISK-QMMMGPOBSA-N 1 2 236.275 -0.485 20 0 BBADLO COC(=O)CCC(=O)NCc1c[nH+]cn1C ZINC000356756008 387715796 /nfs/dbraw/zinc/71/57/96/387715796.db2.gz UWRFKSGSGCSWCS-UHFFFAOYSA-N 1 2 225.248 -0.011 20 0 BBADLO Cn1cc[nH+]c1CNc1cncc(C(N)=O)n1 ZINC000356767316 387717727 /nfs/dbraw/zinc/71/77/27/387717727.db2.gz WSPWIBRMOXFWEC-UHFFFAOYSA-N 1 2 232.247 -0.079 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)Cn1cccn1 ZINC000356776341 538816541 /nfs/dbraw/zinc/81/65/41/538816541.db2.gz IWYQXBYLLFTHNU-UHFFFAOYSA-N 1 2 219.248 -0.067 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)CN1CCOCC1 ZINC000356780019 538815851 /nfs/dbraw/zinc/81/58/51/538815851.db2.gz NROWLGCEPCAXKW-UHFFFAOYSA-N 1 2 238.291 -0.632 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)c1nccnc1N ZINC000356803277 538817535 /nfs/dbraw/zinc/81/75/35/538817535.db2.gz SBDVGUOGULGILO-UHFFFAOYSA-N 1 2 232.247 -0.278 20 0 BBADLO CN(C(=O)CS(C)(=O)=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000356806457 387725364 /nfs/dbraw/zinc/72/53/64/387725364.db2.gz GCDOGBTZYMGUQX-SECBINFHSA-N 1 2 248.348 -0.416 20 0 BBADLO CN(C(=O)CS(C)(=O)=O)[C@@H]1CCC[N@H+](C)C1 ZINC000356806457 387725361 /nfs/dbraw/zinc/72/53/61/387725361.db2.gz GCDOGBTZYMGUQX-SECBINFHSA-N 1 2 248.348 -0.416 20 0 BBADLO CN(C(=O)CS(C)(=O)=O)[C@H]1CCC[N@@H+](C)C1 ZINC000356806458 173045015 /nfs/dbraw/zinc/04/50/15/173045015.db2.gz GCDOGBTZYMGUQX-VIFPVBQESA-N 1 2 248.348 -0.416 20 0 BBADLO CN(C(=O)CS(C)(=O)=O)[C@H]1CCC[N@H+](C)C1 ZINC000356806458 173045011 /nfs/dbraw/zinc/04/50/11/173045011.db2.gz GCDOGBTZYMGUQX-VIFPVBQESA-N 1 2 248.348 -0.416 20 0 BBADLO CNC(=O)CC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000356849355 173230827 /nfs/dbraw/zinc/23/08/27/173230827.db2.gz UWDXORBCTSRVAE-SECBINFHSA-N 1 2 238.291 -0.229 20 0 BBADLO CNC(=O)CC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000356849356 173232284 /nfs/dbraw/zinc/23/22/84/173232284.db2.gz UWDXORBCTSRVAE-VIFPVBQESA-N 1 2 238.291 -0.229 20 0 BBADLO CN(Cc1[nH]cc[nH+]1)c1cncc(C(N)=O)n1 ZINC000356874372 387738948 /nfs/dbraw/zinc/73/89/48/387738948.db2.gz YEEKCWFGQZIWFT-UHFFFAOYSA-N 1 2 232.247 -0.065 20 0 BBADLO CNC(=O)CC(=O)NCCNc1cccc[nH+]1 ZINC000356886315 173230874 /nfs/dbraw/zinc/23/08/74/173230874.db2.gz YCUWQAURIYJWPJ-UHFFFAOYSA-N 1 2 236.275 -0.254 20 0 BBADLO C[N@H+]1CCO[C@H]2CN(C(=O)C3(C)COC3)C[C@H]21 ZINC000356938170 397963952 /nfs/dbraw/zinc/96/39/52/397963952.db2.gz PWRLNHJNBJURPF-ZJUUUORDSA-N 1 2 240.303 -0.436 20 0 BBADLO C[N@@H+]1CCO[C@H]2CN(C(=O)C3(C)COC3)C[C@H]21 ZINC000356938170 397963947 /nfs/dbraw/zinc/96/39/47/397963947.db2.gz PWRLNHJNBJURPF-ZJUUUORDSA-N 1 2 240.303 -0.436 20 0 BBADLO CN(C)C(=O)CN1CCn2cc[nH+]c2C1 ZINC000357042340 172367601 /nfs/dbraw/zinc/36/76/01/172367601.db2.gz KLLQLTXGRBXXFW-UHFFFAOYSA-N 1 2 208.265 -0.213 20 0 BBADLO C[N@H+]1CCC[C@@H]1C(=O)NC1(c2nn[nH]n2)CC1 ZINC000357047936 173025302 /nfs/dbraw/zinc/02/53/02/173025302.db2.gz GAANOUGNGYNRPD-SSDOTTSWSA-N 1 2 236.279 -0.601 20 0 BBADLO C[N@@H+]1CCC[C@@H]1C(=O)NC1(c2nn[nH]n2)CC1 ZINC000357047936 173025299 /nfs/dbraw/zinc/02/52/99/173025299.db2.gz GAANOUGNGYNRPD-SSDOTTSWSA-N 1 2 236.279 -0.601 20 0 BBADLO C[N@H+]1CCC[C@H]1C(=O)NC1(c2nn[nH]n2)CC1 ZINC000357047941 173047293 /nfs/dbraw/zinc/04/72/93/173047293.db2.gz GAANOUGNGYNRPD-ZETCQYMHSA-N 1 2 236.279 -0.601 20 0 BBADLO C[N@@H+]1CCC[C@H]1C(=O)NC1(c2nn[nH]n2)CC1 ZINC000357047941 173047290 /nfs/dbraw/zinc/04/72/90/173047290.db2.gz GAANOUGNGYNRPD-ZETCQYMHSA-N 1 2 236.279 -0.601 20 0 BBADLO C[C@H](C(=O)N1CCOC[C@H]1C)[NH+]1CCOCC1 ZINC000357049623 386704370 /nfs/dbraw/zinc/70/43/70/386704370.db2.gz ZCVYXNZPKGGTSC-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@@H](C(=O)N1CCOC[C@H]1C)[NH+]1CCOCC1 ZINC000357049625 386704419 /nfs/dbraw/zinc/70/44/19/386704419.db2.gz ZCVYXNZPKGGTSC-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@@H](C(=O)N1CCOC[C@@H]1C)[NH+]1CCOCC1 ZINC000357049626 175605770 /nfs/dbraw/zinc/60/57/70/175605770.db2.gz ZCVYXNZPKGGTSC-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@H](C(=O)N1CCOC[C@@H]1C)[NH+]1CCOCC1 ZINC000357049628 177289981 /nfs/dbraw/zinc/28/99/81/177289981.db2.gz ZCVYXNZPKGGTSC-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO COCCNC(=O)NCc1c[nH+]cn1C ZINC000357063626 538824095 /nfs/dbraw/zinc/82/40/95/538824095.db2.gz FPNSUNMQDHJBJM-UHFFFAOYSA-N 1 2 212.253 -0.134 20 0 BBADLO CCC[N@@H+](C)CC(=O)NC1(c2nn[nH]n2)CC1 ZINC000357071737 169070374 /nfs/dbraw/zinc/07/03/74/169070374.db2.gz FWHBMDCIGZAXOG-UHFFFAOYSA-N 1 2 238.295 -0.353 20 0 BBADLO CCC[N@H+](C)CC(=O)NC1(c2nn[nH]n2)CC1 ZINC000357071737 169070372 /nfs/dbraw/zinc/07/03/72/169070372.db2.gz FWHBMDCIGZAXOG-UHFFFAOYSA-N 1 2 238.295 -0.353 20 0 BBADLO CC[C@H](C(=O)NC1(c2nn[nH]n2)CC1)[NH+](C)C ZINC000357073116 171227625 /nfs/dbraw/zinc/22/76/25/171227625.db2.gz HTZLIWOWYRFYSY-SSDOTTSWSA-N 1 2 238.295 -0.355 20 0 BBADLO CC[C@@H](C(=O)NC1(c2nn[nH]n2)CC1)[NH+](C)C ZINC000357073117 386711431 /nfs/dbraw/zinc/71/14/31/386711431.db2.gz HTZLIWOWYRFYSY-ZETCQYMHSA-N 1 2 238.295 -0.355 20 0 BBADLO CN(Cc1cc(=O)n2[nH]ccc2n1)C1C[NH2+]C1 ZINC000357090340 386715842 /nfs/dbraw/zinc/71/58/42/386715842.db2.gz VCBMSCQBDPKVPT-UHFFFAOYSA-N 1 2 233.275 -0.574 20 0 BBADLO CNC(=O)CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000357126346 173229553 /nfs/dbraw/zinc/22/95/53/173229553.db2.gz OGUGKQXQYIKYEB-UHFFFAOYSA-N 1 2 238.291 -0.132 20 0 BBADLO NC(=O)CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000357129173 181234499 /nfs/dbraw/zinc/23/44/99/181234499.db2.gz OQTMHKNCBJKRLK-UHFFFAOYSA-N 1 2 245.242 -0.518 20 0 BBADLO O=C(NCCO)c1cc(-n2cc[nH+]c2)ccn1 ZINC000357130984 182191697 /nfs/dbraw/zinc/19/16/97/182191697.db2.gz SBXJAOGADOVLBI-UHFFFAOYSA-N 1 2 232.243 -0.011 20 0 BBADLO CCC[C@H](NC(=O)[C@@H]([NH3+])COC)c1nn[nH]n1 ZINC000357137213 386726798 /nfs/dbraw/zinc/72/67/98/386726798.db2.gz WTSPYDRDIQPRQV-BQBZGAKWSA-N 1 2 242.283 -0.869 20 0 BBADLO CCC[C@@H](NC(=O)[C@@H]([NH3+])COC)c1nn[nH]n1 ZINC000357137220 169397227 /nfs/dbraw/zinc/39/72/27/169397227.db2.gz WTSPYDRDIQPRQV-NKWVEPMBSA-N 1 2 242.283 -0.869 20 0 BBADLO CCC[C@@H](NC(=O)[C@H]([NH3+])COC)c1nn[nH]n1 ZINC000357137222 169396881 /nfs/dbraw/zinc/39/68/81/169396881.db2.gz WTSPYDRDIQPRQV-RNFRBKRXSA-N 1 2 242.283 -0.869 20 0 BBADLO CCC[C@H](NC(=O)[C@H]([NH3+])COC)c1nn[nH]n1 ZINC000357137224 386726239 /nfs/dbraw/zinc/72/62/39/386726239.db2.gz WTSPYDRDIQPRQV-RQJHMYQMSA-N 1 2 242.283 -0.869 20 0 BBADLO CCNC(=O)CC(=O)NCCCn1cc[nH+]c1 ZINC000357178416 170046097 /nfs/dbraw/zinc/04/60/97/170046097.db2.gz TYTQGVCQAWXWJZ-UHFFFAOYSA-N 1 2 238.291 -0.084 20 0 BBADLO C[NH+](C)CC(=O)NCC1(S(C)(=O)=O)CCC1 ZINC000357223945 386741769 /nfs/dbraw/zinc/74/17/69/386741769.db2.gz AYOHLWSPQMNCIZ-UHFFFAOYSA-N 1 2 248.348 -0.369 20 0 BBADLO CCNC(=O)CC(=O)NCCn1cc[nH+]c1 ZINC000357243573 170046890 /nfs/dbraw/zinc/04/68/90/170046890.db2.gz ARDVGOHORFHFRY-UHFFFAOYSA-N 1 2 224.264 -0.475 20 0 BBADLO CCNC(=O)CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000357248662 170047504 /nfs/dbraw/zinc/04/75/04/170047504.db2.gz RRPUZLQKQDKLSJ-SECBINFHSA-N 1 2 238.291 -0.086 20 0 BBADLO CCNC(=O)CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000357248663 170046982 /nfs/dbraw/zinc/04/69/82/170046982.db2.gz RRPUZLQKQDKLSJ-VIFPVBQESA-N 1 2 238.291 -0.086 20 0 BBADLO C[NH+](C)CC(=O)NCC1(S(C)(=O)=O)CC1 ZINC000357255443 386749157 /nfs/dbraw/zinc/74/91/57/386749157.db2.gz LJMBYRHLGMBXGP-UHFFFAOYSA-N 1 2 234.321 -0.759 20 0 BBADLO CC[C@@H](C(=O)NCC[NH+]1CCOCC1)[C@@H](C)O ZINC000357313560 386755898 /nfs/dbraw/zinc/75/58/98/386755898.db2.gz WCQASFDLVMYVGX-GHMZBOCLSA-N 1 2 244.335 -0.158 20 0 BBADLO CC[C@H](C(=O)NCC[NH+]1CCOCC1)[C@@H](C)O ZINC000357313561 171228000 /nfs/dbraw/zinc/22/80/00/171228000.db2.gz WCQASFDLVMYVGX-MNOVXSKESA-N 1 2 244.335 -0.158 20 0 BBADLO CC[C@H](C(=O)NCC[NH+]1CCOCC1)[C@H](C)O ZINC000357313563 171228511 /nfs/dbraw/zinc/22/85/11/171228511.db2.gz WCQASFDLVMYVGX-QWRGUYRKSA-N 1 2 244.335 -0.158 20 0 BBADLO CC[C@@H](C(=O)NCC[NH+]1CCOCC1)[C@H](C)O ZINC000357313565 386757336 /nfs/dbraw/zinc/75/73/36/386757336.db2.gz WCQASFDLVMYVGX-WDEREUQCSA-N 1 2 244.335 -0.158 20 0 BBADLO CCN(C)C(=O)CNC(=O)CCn1cc[nH+]c1 ZINC000357404719 411307204 /nfs/dbraw/zinc/30/72/04/411307204.db2.gz XGAMFXSMIXCFJS-UHFFFAOYSA-N 1 2 238.291 -0.132 20 0 BBADLO CCCC(=O)NCC(=O)NCc1[nH]cc[nH+]1 ZINC000357572571 491118564 /nfs/dbraw/zinc/11/85/64/491118564.db2.gz WSPXYNFCDBGESM-UHFFFAOYSA-N 1 2 224.264 -0.058 20 0 BBADLO Cn1c[nH+]cc1CN=c1nc2[nH][nH]cc-2c(N)n1 ZINC000357589586 538829737 /nfs/dbraw/zinc/82/97/37/538829737.db2.gz BTXXNQWZFCCNER-UHFFFAOYSA-N 1 2 244.262 -0.515 20 0 BBADLO Cn1c[nH+]cc1CNc1ccnc(C(N)=O)c1 ZINC000357589886 538830148 /nfs/dbraw/zinc/83/01/48/538830148.db2.gz CRKLCKMOIVLMQT-UHFFFAOYSA-N 1 2 231.259 -0.052 20 0 BBADLO Cc1cc(NCCCn2cc(CO)nn2)nc[nH+]1 ZINC000357595893 411648470 /nfs/dbraw/zinc/64/84/70/411648470.db2.gz NLLSYFWVFHBBJO-UHFFFAOYSA-N 1 2 248.290 0.371 20 0 BBADLO Cn1c[nH+]cc1CNc1nccn2cnnc12 ZINC000357602436 538832156 /nfs/dbraw/zinc/83/21/56/538832156.db2.gz MGOMVTNNQAAYOB-UHFFFAOYSA-N 1 2 229.247 -0.108 20 0 BBADLO Cn1c[nH+]cc1CNc1cncc(C(N)=O)n1 ZINC000357606425 538831467 /nfs/dbraw/zinc/83/14/67/538831467.db2.gz NRUQTTHVVIXMIZ-UHFFFAOYSA-N 1 2 232.247 -0.079 20 0 BBADLO Cn1c[nH+]cc1CN=c1ccc(C(N)=O)n[nH]1 ZINC000357607580 538831301 /nfs/dbraw/zinc/83/13/01/538831301.db2.gz KPWXIBFIAJOVAM-UHFFFAOYSA-N 1 2 232.247 -0.657 20 0 BBADLO CNC(=O)c1ccc(=NCc2c[nH+]cn2C)[nH]n1 ZINC000357608383 538832292 /nfs/dbraw/zinc/83/22/92/538832292.db2.gz RJFPHUXGBXMPSM-UHFFFAOYSA-N 1 2 246.274 -0.396 20 0 BBADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCF ZINC000357638147 167049955 /nfs/dbraw/zinc/04/99/55/167049955.db2.gz JUDOFLQLVYPBDJ-UHFFFAOYSA-N 1 2 233.287 -0.472 20 0 BBADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NCCF ZINC000357638147 167049953 /nfs/dbraw/zinc/04/99/53/167049953.db2.gz JUDOFLQLVYPBDJ-UHFFFAOYSA-N 1 2 233.287 -0.472 20 0 BBADLO CC[NH+]1CCN(S(=O)(=O)[C@H]2CCOC2)CC1 ZINC000357747219 356843126 /nfs/dbraw/zinc/84/31/26/356843126.db2.gz YEDQWTHWUBKBAM-JTQLQIEISA-N 1 2 248.348 -0.257 20 0 BBADLO CC[NH+]1CCN(S(=O)(=O)[C@@H]2CCOC2)CC1 ZINC000357747221 356843423 /nfs/dbraw/zinc/84/34/23/356843423.db2.gz YEDQWTHWUBKBAM-SNVBAGLBSA-N 1 2 248.348 -0.257 20 0 BBADLO COC[C@@H](CO)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000357793646 411637616 /nfs/dbraw/zinc/63/76/16/411637616.db2.gz CCISATXUIRWWPS-MRVPVSSYSA-N 1 2 241.295 -0.335 20 0 BBADLO COC[C@@H](CO)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000357793646 411637604 /nfs/dbraw/zinc/63/76/04/411637604.db2.gz CCISATXUIRWWPS-MRVPVSSYSA-N 1 2 241.295 -0.335 20 0 BBADLO COC[C@H](CO)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000357793647 411651037 /nfs/dbraw/zinc/65/10/37/411651037.db2.gz CCISATXUIRWWPS-QMMMGPOBSA-N 1 2 241.295 -0.335 20 0 BBADLO COC[C@H](CO)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000357793647 411651031 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386888796 /nfs/dbraw/zinc/88/87/96/386888796.db2.gz NBLKDYAHSVHJHF-JTQLQIEISA-N 1 2 249.318 -0.137 20 0 BBADLO CN(C)c1nccc(C[N@@H+](C)[C@@H]2CCNC2=O)n1 ZINC000358073750 386888671 /nfs/dbraw/zinc/88/86/71/386888671.db2.gz NBLKDYAHSVHJHF-SNVBAGLBSA-N 1 2 249.318 -0.137 20 0 BBADLO CN(C)c1nccc(C[N@H+](C)[C@@H]2CCNC2=O)n1 ZINC000358073750 386888670 /nfs/dbraw/zinc/88/86/70/386888670.db2.gz NBLKDYAHSVHJHF-SNVBAGLBSA-N 1 2 249.318 -0.137 20 0 BBADLO COC1CN(C(=O)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000358115658 174033272 /nfs/dbraw/zinc/03/32/72/174033272.db2.gz RWRIUCJXTUWEHC-SECBINFHSA-N 1 2 228.292 -0.436 20 0 BBADLO COC1CN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000358115659 174033917 /nfs/dbraw/zinc/03/39/17/174033917.db2.gz RWRIUCJXTUWEHC-VIFPVBQESA-N 1 2 228.292 -0.436 20 0 BBADLO NC(=O)c1ccc(C(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000358122966 181294753 /nfs/dbraw/zinc/29/47/53/181294753.db2.gz GPOJWAIWSPDHLR-UHFFFAOYSA-N 1 2 245.242 -0.166 20 0 BBADLO CC[C@H](CO)NC(=O)NCc1c[nH+]cn1C ZINC000358125210 386895865 /nfs/dbraw/zinc/89/58/65/386895865.db2.gz YOWZZPGESLVMGK-MRVPVSSYSA-N 1 2 226.280 -0.010 20 0 BBADLO CC[C@@H](CO)NC(=O)NCc1c[nH+]cn1C ZINC000358125212 386897567 /nfs/dbraw/zinc/89/75/67/386897567.db2.gz YOWZZPGESLVMGK-QMMMGPOBSA-N 1 2 226.280 -0.010 20 0 BBADLO NC(=O)c1ccc(C(=O)NCc2[nH]cc[nH+]2)nc1 ZINC000358137836 181294728 /nfs/dbraw/zinc/29/47/28/181294728.db2.gz OJQJCSXQFJLCII-UHFFFAOYSA-N 1 2 245.242 -0.166 20 0 BBADLO CCOC(=O)CC(=O)NCc1[nH]cc[nH+]1 ZINC000358143768 170195454 /nfs/dbraw/zinc/19/54/54/170195454.db2.gz ZOTPRHAYZXSBDE-UHFFFAOYSA-N 1 2 211.221 -0.021 20 0 BBADLO C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@]1(O)CC[NH+](C)C1 ZINC000358230149 176270033 /nfs/dbraw/zinc/27/00/33/176270033.db2.gz GVRYXGGISYXPNB-AGIUHOORSA-N 1 2 241.379 -0.017 20 0 BBADLO C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@]1(O)CC[NH+](C)C1 ZINC000358230155 176270407 /nfs/dbraw/zinc/27/04/07/176270407.db2.gz GVRYXGGISYXPNB-UPJWGTAASA-N 1 2 241.379 -0.017 20 0 BBADLO O=C(CN1CCCC1=O)Nc1cc[nH+]cc1O 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170001681 /nfs/dbraw/zinc/00/16/81/170001681.db2.gz MECBCAOKDDFHGY-QWRGUYRKSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(C(=O)[C@@H]1COCC[N@@H+]1CC)[C@@H](C)CO ZINC000358787499 170001680 /nfs/dbraw/zinc/00/16/80/170001680.db2.gz MECBCAOKDDFHGY-QWRGUYRKSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(C(=O)[C@H]1COCC[N@H+]1CC)[C@@H](C)CO ZINC000358787500 384155216 /nfs/dbraw/zinc/15/52/16/384155216.db2.gz MECBCAOKDDFHGY-WDEREUQCSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(C(=O)[C@H]1COCC[N@@H+]1CC)[C@@H](C)CO ZINC000358787500 384155211 /nfs/dbraw/zinc/15/52/11/384155211.db2.gz MECBCAOKDDFHGY-WDEREUQCSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H](C)CO ZINC000358805386 387015307 /nfs/dbraw/zinc/01/53/07/387015307.db2.gz WWGRTQZGUURXQZ-NXEZZACHSA-N 1 2 230.308 -0.454 20 0 BBADLO CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H](C)CO ZINC000358805386 387015302 /nfs/dbraw/zinc/01/53/02/387015302.db2.gz WWGRTQZGUURXQZ-NXEZZACHSA-N 1 2 230.308 -0.454 20 0 BBADLO CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H](C)CO ZINC000358805387 387015521 /nfs/dbraw/zinc/01/55/21/387015521.db2.gz WWGRTQZGUURXQZ-UWVGGRQHSA-N 1 2 230.308 -0.454 20 0 BBADLO CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H](C)CO ZINC000358805387 387015519 /nfs/dbraw/zinc/01/55/19/387015519.db2.gz WWGRTQZGUURXQZ-UWVGGRQHSA-N 1 2 230.308 -0.454 20 0 BBADLO CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H](C)CO ZINC000358805389 387015439 /nfs/dbraw/zinc/01/54/39/387015439.db2.gz WWGRTQZGUURXQZ-VHSXEESVSA-N 1 2 230.308 -0.454 20 0 BBADLO CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H](C)CO ZINC000358805389 387015435 /nfs/dbraw/zinc/01/54/35/387015435.db2.gz WWGRTQZGUURXQZ-VHSXEESVSA-N 1 2 230.308 -0.454 20 0 BBADLO CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H](C)CO ZINC000358805391 387015473 /nfs/dbraw/zinc/01/54/73/387015473.db2.gz WWGRTQZGUURXQZ-ZJUUUORDSA-N 1 2 230.308 -0.454 20 0 BBADLO CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H](C)CO ZINC000358805391 387015468 /nfs/dbraw/zinc/01/54/68/387015468.db2.gz WWGRTQZGUURXQZ-ZJUUUORDSA-N 1 2 230.308 -0.454 20 0 BBADLO CCOC(=O)CC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000358818072 170205662 /nfs/dbraw/zinc/20/56/62/170205662.db2.gz OASMUCCMHOSITQ-MRVPVSSYSA-N 1 2 246.332 -0.158 20 0 BBADLO CCOC(=O)CC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000358818072 170205660 /nfs/dbraw/zinc/20/56/60/170205660.db2.gz OASMUCCMHOSITQ-MRVPVSSYSA-N 1 2 246.332 -0.158 20 0 BBADLO CCOC(=O)CC[N@H+]1CCSC[C@H]1C(N)=O ZINC000358818074 170205391 /nfs/dbraw/zinc/20/53/91/170205391.db2.gz OASMUCCMHOSITQ-QMMMGPOBSA-N 1 2 246.332 -0.158 20 0 BBADLO CCOC(=O)CC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000358818074 170205390 /nfs/dbraw/zinc/20/53/90/170205390.db2.gz OASMUCCMHOSITQ-QMMMGPOBSA-N 1 2 246.332 -0.158 20 0 BBADLO CCOCC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000358821710 387019247 /nfs/dbraw/zinc/01/92/47/387019247.db2.gz WTHUEBOGWMTOMI-MRVPVSSYSA-N 1 2 218.322 -0.074 20 0 BBADLO CCOCC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000358821710 387019244 /nfs/dbraw/zinc/01/92/44/387019244.db2.gz WTHUEBOGWMTOMI-MRVPVSSYSA-N 1 2 218.322 -0.074 20 0 BBADLO CCOCC[N@H+]1CCSC[C@H]1C(N)=O ZINC000358821711 387019234 /nfs/dbraw/zinc/01/92/34/387019234.db2.gz WTHUEBOGWMTOMI-QMMMGPOBSA-N 1 2 218.322 -0.074 20 0 BBADLO CCOCC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000358821711 387019233 /nfs/dbraw/zinc/01/92/33/387019233.db2.gz WTHUEBOGWMTOMI-QMMMGPOBSA-N 1 2 218.322 -0.074 20 0 BBADLO COCCOCC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000358822835 174355342 /nfs/dbraw/zinc/35/53/42/174355342.db2.gz ZYKUWOCVVQLUBW-SECBINFHSA-N 1 2 248.348 -0.448 20 0 BBADLO COCCOCC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000358822835 174355341 /nfs/dbraw/zinc/35/53/41/174355341.db2.gz ZYKUWOCVVQLUBW-SECBINFHSA-N 1 2 248.348 -0.448 20 0 BBADLO COCCOCC[N@H+]1CCSC[C@H]1C(N)=O ZINC000358822836 174355309 /nfs/dbraw/zinc/35/53/09/174355309.db2.gz ZYKUWOCVVQLUBW-VIFPVBQESA-N 1 2 248.348 -0.448 20 0 BBADLO COCCOCC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000358822836 174355308 /nfs/dbraw/zinc/35/53/08/174355308.db2.gz ZYKUWOCVVQLUBW-VIFPVBQESA-N 1 2 248.348 -0.448 20 0 BBADLO CCN(C(=O)[C@@H](C)[NH+]1CCOCC1)[C@H](C)CO ZINC000358827523 387019364 /nfs/dbraw/zinc/01/93/64/387019364.db2.gz NETWZAKWRHGDKT-GHMZBOCLSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(C(=O)[C@H](C)[NH+]1CCOCC1)[C@H](C)CO ZINC000358827524 387018712 /nfs/dbraw/zinc/01/87/12/387018712.db2.gz NETWZAKWRHGDKT-MNOVXSKESA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(C(=O)[C@H](C)[NH+]1CCOCC1)[C@@H](C)CO ZINC000358827525 387019331 /nfs/dbraw/zinc/01/93/31/387019331.db2.gz NETWZAKWRHGDKT-QWRGUYRKSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(C(=O)[C@@H](C)[NH+]1CCOCC1)[C@@H](C)CO ZINC000358827526 387019383 /nfs/dbraw/zinc/01/93/83/387019383.db2.gz NETWZAKWRHGDKT-WDEREUQCSA-N 1 2 244.335 -0.064 20 0 BBADLO O=C(C[N@H+]1CCc2n[nH]cc2C1)N1CCNC1=O ZINC000358866561 136266835 /nfs/dbraw/zinc/26/68/35/136266835.db2.gz AUPRZEPHTNNAAE-UHFFFAOYSA-N 1 2 249.274 -0.680 20 0 BBADLO O=C(C[N@@H+]1CCc2n[nH]cc2C1)N1CCNC1=O ZINC000358866561 136266834 /nfs/dbraw/zinc/26/68/34/136266834.db2.gz AUPRZEPHTNNAAE-UHFFFAOYSA-N 1 2 249.274 -0.680 20 0 BBADLO C[C@H](CCO)NC(=O)NCc1c[nH+]cn1C ZINC000358951502 711955673 /nfs/dbraw/zinc/95/56/73/711955673.db2.gz WHHOANZEPURINO-MRVPVSSYSA-N 1 2 226.280 -0.010 20 0 BBADLO C[C@@H](CCO)NC(=O)NCc1c[nH+]cn1C ZINC000358951504 711955869 /nfs/dbraw/zinc/95/58/69/711955869.db2.gz WHHOANZEPURINO-QMMMGPOBSA-N 1 2 226.280 -0.010 20 0 BBADLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)CC(N)=O ZINC000358980361 387039825 /nfs/dbraw/zinc/03/98/25/387039825.db2.gz NJVCQQQDYGXPRU-BDAKNGLRSA-N 1 2 243.307 -0.913 20 0 BBADLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)CC(N)=O ZINC000358980361 387039822 /nfs/dbraw/zinc/03/98/22/387039822.db2.gz NJVCQQQDYGXPRU-BDAKNGLRSA-N 1 2 243.307 -0.913 20 0 BBADLO C[C@@H](C(=O)NC[C@H]1CCCO1)[N@@H+](C)CC(N)=O ZINC000358980363 387040246 /nfs/dbraw/zinc/04/02/46/387040246.db2.gz NJVCQQQDYGXPRU-DTWKUNHWSA-N 1 2 243.307 -0.913 20 0 BBADLO C[C@@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)CC(N)=O ZINC000358980363 387040242 /nfs/dbraw/zinc/04/02/42/387040242.db2.gz NJVCQQQDYGXPRU-DTWKUNHWSA-N 1 2 243.307 -0.913 20 0 BBADLO C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)CC(N)=O ZINC000358980365 387039225 /nfs/dbraw/zinc/03/92/25/387039225.db2.gz NJVCQQQDYGXPRU-IUCAKERBSA-N 1 2 243.307 -0.913 20 0 BBADLO C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)CC(N)=O ZINC000358980365 387039223 /nfs/dbraw/zinc/03/92/23/387039223.db2.gz NJVCQQQDYGXPRU-IUCAKERBSA-N 1 2 243.307 -0.913 20 0 BBADLO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+](C)CC(N)=O ZINC000358980366 387039256 /nfs/dbraw/zinc/03/92/56/387039256.db2.gz NJVCQQQDYGXPRU-RKDXNWHRSA-N 1 2 243.307 -0.913 20 0 BBADLO C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)CC(N)=O ZINC000358980366 387039250 /nfs/dbraw/zinc/03/92/50/387039250.db2.gz NJVCQQQDYGXPRU-RKDXNWHRSA-N 1 2 243.307 -0.913 20 0 BBADLO C[C@](O)(C(=O)NCC[NH+]1CCOCC1)C1CC1 ZINC000359028404 188240838 /nfs/dbraw/zinc/24/08/38/188240838.db2.gz IXGDDWUCEYEVMD-GFCCVEGCSA-N 1 2 242.319 -0.404 20 0 BBADLO C[C@@](O)(C(=O)NCC[NH+]1CCOCC1)C1CC1 ZINC000359028408 387047519 /nfs/dbraw/zinc/04/75/19/387047519.db2.gz IXGDDWUCEYEVMD-LBPRGKRZSA-N 1 2 242.319 -0.404 20 0 BBADLO C[C@H](O)CCNC(=O)NCC[NH+]1CCOCC1 ZINC000359121716 387057868 /nfs/dbraw/zinc/05/78/68/387057868.db2.gz MAJUOSXBAJBNNN-JTQLQIEISA-N 1 2 245.323 -0.611 20 0 BBADLO C[C@@H](O)CCNC(=O)NCC[NH+]1CCOCC1 ZINC000359121721 387058049 /nfs/dbraw/zinc/05/80/49/387058049.db2.gz MAJUOSXBAJBNNN-SNVBAGLBSA-N 1 2 245.323 -0.611 20 0 BBADLO NC(=O)c1ccc(C(=O)NCc2c[nH]c[nH+]2)nc1 ZINC000359134778 181294238 /nfs/dbraw/zinc/29/42/38/181294238.db2.gz ZIXWGEQLDCLYKA-UHFFFAOYSA-N 1 2 245.242 -0.166 20 0 BBADLO NC(=O)c1ccc(C(=O)NCc2c[nH+]c[nH]2)nc1 ZINC000359134778 181294236 /nfs/dbraw/zinc/29/42/36/181294236.db2.gz ZIXWGEQLDCLYKA-UHFFFAOYSA-N 1 2 245.242 -0.166 20 0 BBADLO C[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1nnnn1C ZINC000359137011 387059516 /nfs/dbraw/zinc/05/95/16/387059516.db2.gz DCCZMEBKTNCWNJ-BDAKNGLRSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1nnnn1C ZINC000359137011 387059513 /nfs/dbraw/zinc/05/95/13/387059513.db2.gz DCCZMEBKTNCWNJ-BDAKNGLRSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@H](O)[C@H]1CCCC[N@H+]1Cc1nnnn1C ZINC000359137013 177015046 /nfs/dbraw/zinc/01/50/46/177015046.db2.gz DCCZMEBKTNCWNJ-DTWKUNHWSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1nnnn1C ZINC000359137013 177015044 /nfs/dbraw/zinc/01/50/44/177015044.db2.gz DCCZMEBKTNCWNJ-DTWKUNHWSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1nnnn1C ZINC000359137017 177008806 /nfs/dbraw/zinc/00/88/06/177008806.db2.gz DCCZMEBKTNCWNJ-IUCAKERBSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1nnnn1C ZINC000359137017 177008805 /nfs/dbraw/zinc/00/88/05/177008805.db2.gz DCCZMEBKTNCWNJ-IUCAKERBSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1nnnn1C ZINC000359137020 387059103 /nfs/dbraw/zinc/05/91/03/387059103.db2.gz DCCZMEBKTNCWNJ-RKDXNWHRSA-N 1 2 225.296 -0.055 20 0 BBADLO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1nnnn1C ZINC000359137020 387059101 /nfs/dbraw/zinc/05/91/01/387059101.db2.gz DCCZMEBKTNCWNJ-RKDXNWHRSA-N 1 2 225.296 -0.055 20 0 BBADLO Cc1nc(N(C)C)nc(N2CC(O)C2)[nH+]1 ZINC000359172788 387063996 /nfs/dbraw/zinc/06/39/96/387063996.db2.gz IALLQEGVTAFMMS-UHFFFAOYSA-N 1 2 209.253 -0.573 20 0 BBADLO Cc1nc(N2CC(O)C2)nc(N(C)C)[nH+]1 ZINC000359172788 387063994 /nfs/dbraw/zinc/06/39/94/387063994.db2.gz IALLQEGVTAFMMS-UHFFFAOYSA-N 1 2 209.253 -0.573 20 0 BBADLO CS(=O)(=O)CCC(=O)Nc1cc[nH+]cc1O ZINC000359199865 397950403 /nfs/dbraw/zinc/95/04/03/397950403.db2.gz RIUSZYCRSDVOOW-UHFFFAOYSA-N 1 2 244.272 -0.418 20 0 BBADLO COCc1nc(C(=O)NCc2[nH]cc[nH+]2)no1 ZINC000359223090 387070333 /nfs/dbraw/zinc/07/03/33/387070333.db2.gz QMQCOBVCWQQMQN-UHFFFAOYSA-N 1 2 237.219 -0.131 20 0 BBADLO COC(=O)c1ccc(C[N@@H+](C)CC(N)=O)[nH]1 ZINC000359238482 387072815 /nfs/dbraw/zinc/07/28/15/387072815.db2.gz QYGAKVFTUZEXPF-UHFFFAOYSA-N 1 2 225.248 -0.282 20 0 BBADLO COC(=O)c1ccc(C[N@H+](C)CC(N)=O)[nH]1 ZINC000359238482 387072810 /nfs/dbraw/zinc/07/28/10/387072810.db2.gz QYGAKVFTUZEXPF-UHFFFAOYSA-N 1 2 225.248 -0.282 20 0 BBADLO C[C@H](C(=O)N(C)[C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000359242207 387071907 /nfs/dbraw/zinc/07/19/07/387071907.db2.gz UCKGNFFLJLKURR-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@H](C(=O)N(C)[C@H]1CCOC1)[NH+]1CCOCC1 ZINC000359242211 176560113 /nfs/dbraw/zinc/56/01/13/176560113.db2.gz UCKGNFFLJLKURR-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@@H](C(=O)N(C)[C@H]1CCOC1)[NH+]1CCOCC1 ZINC000359242213 387073035 /nfs/dbraw/zinc/07/30/35/387073035.db2.gz UCKGNFFLJLKURR-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@@H](C(=O)N(C)[C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000359242214 387073171 /nfs/dbraw/zinc/07/31/71/387073171.db2.gz UCKGNFFLJLKURR-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO CNC(=O)N1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000359345362 173285571 /nfs/dbraw/zinc/28/55/71/173285571.db2.gz PGCPHLUBGWLJJS-JTQLQIEISA-N 1 2 243.307 -0.641 20 0 BBADLO CNC(=O)N1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000359345363 173285337 /nfs/dbraw/zinc/28/53/37/173285337.db2.gz PGCPHLUBGWLJJS-SNVBAGLBSA-N 1 2 243.307 -0.641 20 0 BBADLO C[C@](O)(C(=O)N1CC[NH+](CCO)CC1)C1CC1 ZINC000359436848 387102320 /nfs/dbraw/zinc/10/23/20/387102320.db2.gz PBGQVDAEAJZGHN-GFCCVEGCSA-N 1 2 242.319 -0.716 20 0 BBADLO C[C@@](O)(C(=O)N1CC[NH+](CCO)CC1)C1CC1 ZINC000359436849 387101919 /nfs/dbraw/zinc/10/19/19/387101919.db2.gz PBGQVDAEAJZGHN-LBPRGKRZSA-N 1 2 242.319 -0.716 20 0 BBADLO C[C@@H]1CN(C(=O)C[NH+](C)C)C[C@H](C)S1(=O)=O ZINC000359572468 177216302 /nfs/dbraw/zinc/21/63/02/177216302.db2.gz RHWKZYSFSPLWSD-DTORHVGOSA-N 1 2 248.348 -0.418 20 0 BBADLO C[C@H]1CN(C(=O)C[NH+](C)C)C[C@H](C)S1(=O)=O ZINC000359572470 177216838 /nfs/dbraw/zinc/21/68/38/177216838.db2.gz RHWKZYSFSPLWSD-IUCAKERBSA-N 1 2 248.348 -0.418 20 0 BBADLO C[C@@H]1CN(C(=O)C[NH+](C)C)C[C@@H](C)S1(=O)=O ZINC000359572471 176246476 /nfs/dbraw/zinc/24/64/76/176246476.db2.gz RHWKZYSFSPLWSD-RKDXNWHRSA-N 1 2 248.348 -0.418 20 0 BBADLO COC(=O)[C@H](C1CC1)[N@@H+](C)[C@@H]1CCNC1=O ZINC000359580727 536644570 /nfs/dbraw/zinc/64/45/70/536644570.db2.gz GKTHRVBOCBDTBG-BDAKNGLRSA-N 1 2 226.276 -0.242 20 0 BBADLO COC(=O)[C@H](C1CC1)[N@H+](C)[C@@H]1CCNC1=O ZINC000359580727 536644564 /nfs/dbraw/zinc/64/45/64/536644564.db2.gz GKTHRVBOCBDTBG-BDAKNGLRSA-N 1 2 226.276 -0.242 20 0 BBADLO COC(=O)[C@@H](C1CC1)[N@@H+](C)[C@H]1CCNC1=O ZINC000359580729 134196087 /nfs/dbraw/zinc/19/60/87/134196087.db2.gz GKTHRVBOCBDTBG-DTWKUNHWSA-N 1 2 226.276 -0.242 20 0 BBADLO COC(=O)[C@@H](C1CC1)[N@H+](C)[C@H]1CCNC1=O ZINC000359580729 134196086 /nfs/dbraw/zinc/19/60/86/134196086.db2.gz GKTHRVBOCBDTBG-DTWKUNHWSA-N 1 2 226.276 -0.242 20 0 BBADLO COC(=O)[C@H](C1CC1)[N@@H+](C)[C@H]1CCNC1=O ZINC000359580730 387126305 /nfs/dbraw/zinc/12/63/05/387126305.db2.gz GKTHRVBOCBDTBG-IUCAKERBSA-N 1 2 226.276 -0.242 20 0 BBADLO COC(=O)[C@H](C1CC1)[N@H+](C)[C@H]1CCNC1=O ZINC000359580730 387126299 /nfs/dbraw/zinc/12/62/99/387126299.db2.gz GKTHRVBOCBDTBG-IUCAKERBSA-N 1 2 226.276 -0.242 20 0 BBADLO COC(=O)[C@@H](C1CC1)[N@@H+](C)[C@@H]1CCNC1=O ZINC000359580731 387125371 /nfs/dbraw/zinc/12/53/71/387125371.db2.gz GKTHRVBOCBDTBG-RKDXNWHRSA-N 1 2 226.276 -0.242 20 0 BBADLO COC(=O)[C@@H](C1CC1)[N@H+](C)[C@@H]1CCNC1=O ZINC000359580731 387125367 /nfs/dbraw/zinc/12/53/67/387125367.db2.gz GKTHRVBOCBDTBG-RKDXNWHRSA-N 1 2 226.276 -0.242 20 0 BBADLO COC(=O)[C@H](C1CC1)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000359590810 387130610 /nfs/dbraw/zinc/13/06/10/387130610.db2.gz UAYNECXRJYPTAH-BDAKNGLRSA-N 1 2 241.291 -0.319 20 0 BBADLO COC(=O)[C@H](C1CC1)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000359590810 387130606 /nfs/dbraw/zinc/13/06/06/387130606.db2.gz UAYNECXRJYPTAH-BDAKNGLRSA-N 1 2 241.291 -0.319 20 0 BBADLO COC(=O)[C@@H](C1CC1)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000359590812 387130954 /nfs/dbraw/zinc/13/09/54/387130954.db2.gz UAYNECXRJYPTAH-DTWKUNHWSA-N 1 2 241.291 -0.319 20 0 BBADLO COC(=O)[C@@H](C1CC1)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000359590812 387130952 /nfs/dbraw/zinc/13/09/52/387130952.db2.gz UAYNECXRJYPTAH-DTWKUNHWSA-N 1 2 241.291 -0.319 20 0 BBADLO COC(=O)[C@H](C1CC1)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000359590814 173792257 /nfs/dbraw/zinc/79/22/57/173792257.db2.gz UAYNECXRJYPTAH-IUCAKERBSA-N 1 2 241.291 -0.319 20 0 BBADLO COC(=O)[C@H](C1CC1)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000359590814 173792255 /nfs/dbraw/zinc/79/22/55/173792255.db2.gz UAYNECXRJYPTAH-IUCAKERBSA-N 1 2 241.291 -0.319 20 0 BBADLO COC(=O)[C@@H](C1CC1)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000359590816 387130684 /nfs/dbraw/zinc/13/06/84/387130684.db2.gz UAYNECXRJYPTAH-RKDXNWHRSA-N 1 2 241.291 -0.319 20 0 BBADLO COC(=O)[C@@H](C1CC1)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000359590816 387130679 /nfs/dbraw/zinc/13/06/79/387130679.db2.gz UAYNECXRJYPTAH-RKDXNWHRSA-N 1 2 241.291 -0.319 20 0 BBADLO CC[N@H+](Cc1cn(C)nn1)C[C@H](O)COC ZINC000359630187 356892050 /nfs/dbraw/zinc/89/20/50/356892050.db2.gz DMTNKQYAPOFVKL-JTQLQIEISA-N 1 2 228.296 -0.356 20 0 BBADLO CC[N@@H+](Cc1cn(C)nn1)C[C@H](O)COC ZINC000359630187 356892048 /nfs/dbraw/zinc/89/20/48/356892048.db2.gz DMTNKQYAPOFVKL-JTQLQIEISA-N 1 2 228.296 -0.356 20 0 BBADLO CC[N@H+](Cc1cn(C)nn1)C[C@@H](O)COC ZINC000359630191 356892115 /nfs/dbraw/zinc/89/21/15/356892115.db2.gz DMTNKQYAPOFVKL-SNVBAGLBSA-N 1 2 228.296 -0.356 20 0 BBADLO CC[N@@H+](Cc1cn(C)nn1)C[C@@H](O)COC ZINC000359630191 356892113 /nfs/dbraw/zinc/89/21/13/356892113.db2.gz DMTNKQYAPOFVKL-SNVBAGLBSA-N 1 2 228.296 -0.356 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+](CC)Cc1cn(C)nn1 ZINC000359633392 171242484 /nfs/dbraw/zinc/24/24/84/171242484.db2.gz JNEVRJFZHOKGJB-SECBINFHSA-N 1 2 225.296 -0.099 20 0 BBADLO CC[C@H](C(N)=O)[N@H+](CC)Cc1cn(C)nn1 ZINC000359633392 171242482 /nfs/dbraw/zinc/24/24/82/171242482.db2.gz JNEVRJFZHOKGJB-SECBINFHSA-N 1 2 225.296 -0.099 20 0 BBADLO CC[C@@H](C(N)=O)[N@@H+](CC)Cc1cn(C)nn1 ZINC000359633393 387137746 /nfs/dbraw/zinc/13/77/46/387137746.db2.gz JNEVRJFZHOKGJB-VIFPVBQESA-N 1 2 225.296 -0.099 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+](CC)Cc1cn(C)nn1 ZINC000359633393 387137739 /nfs/dbraw/zinc/13/77/39/387137739.db2.gz JNEVRJFZHOKGJB-VIFPVBQESA-N 1 2 225.296 -0.099 20 0 BBADLO CC[N@@H+](Cc1cn(C)nn1)[C@H]1CCCNC1=O ZINC000359639667 387138083 /nfs/dbraw/zinc/13/80/83/387138083.db2.gz UETQNBZKVPZCNH-JTQLQIEISA-N 1 2 237.307 -0.084 20 0 BBADLO CC[N@H+](Cc1cn(C)nn1)[C@H]1CCCNC1=O ZINC000359639667 387138079 /nfs/dbraw/zinc/13/80/79/387138079.db2.gz UETQNBZKVPZCNH-JTQLQIEISA-N 1 2 237.307 -0.084 20 0 BBADLO CC[N@@H+](Cc1cn(C)nn1)[C@@H]1CCCNC1=O ZINC000359639668 345393266 /nfs/dbraw/zinc/39/32/66/345393266.db2.gz UETQNBZKVPZCNH-SNVBAGLBSA-N 1 2 237.307 -0.084 20 0 BBADLO CC[N@H+](Cc1cn(C)nn1)[C@@H]1CCCNC1=O ZINC000359639668 345393262 /nfs/dbraw/zinc/39/32/62/345393262.db2.gz UETQNBZKVPZCNH-SNVBAGLBSA-N 1 2 237.307 -0.084 20 0 BBADLO C[NH+](C)CC(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000359651956 387140719 /nfs/dbraw/zinc/14/07/19/387140719.db2.gz ROBUMPHPMPVCLI-UHFFFAOYSA-N 1 2 248.348 -0.511 20 0 BBADLO CCCC(=O)NCC(=O)NCc1c[nH]c[nH+]1 ZINC000359686723 387145542 /nfs/dbraw/zinc/14/55/42/387145542.db2.gz WEJWSWJKQLNVLZ-UHFFFAOYSA-N 1 2 224.264 -0.058 20 0 BBADLO CCCC(=O)NCC(=O)NCc1c[nH+]c[nH]1 ZINC000359686723 387145537 /nfs/dbraw/zinc/14/55/37/387145537.db2.gz WEJWSWJKQLNVLZ-UHFFFAOYSA-N 1 2 224.264 -0.058 20 0 BBADLO CCCC(=O)NCC(=O)NCCc1[nH]cc[nH+]1 ZINC000359694216 387148710 /nfs/dbraw/zinc/14/87/10/387148710.db2.gz ROHZYTFFZZMDGW-UHFFFAOYSA-N 1 2 238.291 -0.015 20 0 BBADLO Cc1nnc(NC[C@@H]2C[NH+]3CCN2CC3)nc1C ZINC000359770095 411803146 /nfs/dbraw/zinc/80/31/46/411803146.db2.gz VAPNLCXXKDNWNM-LLVKDONJSA-N 1 2 248.334 -0.100 20 0 BBADLO Cc1nnc(NC[C@H]2C[NH+]3CCN2CC3)nc1C ZINC000359770097 411803495 /nfs/dbraw/zinc/80/34/95/411803495.db2.gz VAPNLCXXKDNWNM-NSHDSACASA-N 1 2 248.334 -0.100 20 0 BBADLO CC(C)[N@@H+](C)CC(=O)NCc1n[nH]c(=O)[nH]1 ZINC000359812960 384519086 /nfs/dbraw/zinc/51/90/86/384519086.db2.gz XQRZXYQEQUSBCM-UHFFFAOYSA-N 1 2 227.268 -0.533 20 0 BBADLO CC(C)[N@H+](C)CC(=O)NCc1n[nH]c(=O)[nH]1 ZINC000359812960 384519080 /nfs/dbraw/zinc/51/90/80/384519080.db2.gz XQRZXYQEQUSBCM-UHFFFAOYSA-N 1 2 227.268 -0.533 20 0 BBADLO CCC[N@@H+](C)CC(=O)NCc1n[nH]c(=O)[nH]1 ZINC000359817546 169072232 /nfs/dbraw/zinc/07/22/32/169072232.db2.gz MNEWOLQYKIRBFH-UHFFFAOYSA-N 1 2 227.268 -0.532 20 0 BBADLO CCC[N@H+](C)CC(=O)NCc1n[nH]c(=O)[nH]1 ZINC000359817546 169072230 /nfs/dbraw/zinc/07/22/30/169072230.db2.gz MNEWOLQYKIRBFH-UHFFFAOYSA-N 1 2 227.268 -0.532 20 0 BBADLO CC(C)(CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C(N)=O ZINC000359865700 387788219 /nfs/dbraw/zinc/78/82/19/387788219.db2.gz HDFQLRFMHKGKIJ-LURJTMIESA-N 1 2 249.261 -0.389 20 0 BBADLO CC(C)(CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)C(N)=O ZINC000359865702 187911588 /nfs/dbraw/zinc/91/15/88/187911588.db2.gz HDFQLRFMHKGKIJ-ZCFIWIBFSA-N 1 2 249.261 -0.389 20 0 BBADLO C[NH+](C)CC(=O)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC000359936507 387195192 /nfs/dbraw/zinc/19/51/92/387195192.db2.gz GIWLPVMYYJTHBR-SECBINFHSA-N 1 2 248.348 -0.416 20 0 BBADLO C[NH+](C)CC(=O)N1CCC[C@H](S(C)(=O)=O)C1 ZINC000359936508 387195560 /nfs/dbraw/zinc/19/55/60/387195560.db2.gz GIWLPVMYYJTHBR-VIFPVBQESA-N 1 2 248.348 -0.416 20 0 BBADLO CC[C@@H](Nc1nc(C)[nH+]c(N(C)C)n1)C(N)=O ZINC000359952166 411728713 /nfs/dbraw/zinc/72/87/13/411728713.db2.gz JEBKDAMQRFQTPY-SSDOTTSWSA-N 1 2 238.295 -0.078 20 0 BBADLO CC[C@@H](Nc1nc(N(C)C)nc(C)[nH+]1)C(N)=O ZINC000359952166 411728710 /nfs/dbraw/zinc/72/87/10/411728710.db2.gz JEBKDAMQRFQTPY-SSDOTTSWSA-N 1 2 238.295 -0.078 20 0 BBADLO COC(=O)[C@H]1COCCN1Cc1c[nH]c[nH+]1 ZINC000360077568 387824942 /nfs/dbraw/zinc/82/49/42/387824942.db2.gz BZLHZJPMKKKLQP-SECBINFHSA-N 1 2 225.248 -0.217 20 0 BBADLO COC(=O)[C@H]1COCCN1Cc1c[nH+]c[nH]1 ZINC000360077568 387824937 /nfs/dbraw/zinc/82/49/37/387824937.db2.gz BZLHZJPMKKKLQP-SECBINFHSA-N 1 2 225.248 -0.217 20 0 BBADLO COC(=O)[C@@H]1COCCN1Cc1c[nH]c[nH+]1 ZINC000360077569 387826019 /nfs/dbraw/zinc/82/60/19/387826019.db2.gz BZLHZJPMKKKLQP-VIFPVBQESA-N 1 2 225.248 -0.217 20 0 BBADLO COC(=O)[C@@H]1COCCN1Cc1c[nH+]c[nH]1 ZINC000360077569 387826013 /nfs/dbraw/zinc/82/60/13/387826013.db2.gz BZLHZJPMKKKLQP-VIFPVBQESA-N 1 2 225.248 -0.217 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)NCC(C)(C)O ZINC000360102708 384626033 /nfs/dbraw/zinc/62/60/33/384626033.db2.gz DYNRQGSFSHOBTP-UHFFFAOYSA-N 1 2 226.280 -0.010 20 0 BBADLO C[C@@H](O)CCNC(=O)NCc1c[nH+]cn1C ZINC000360106269 387227837 /nfs/dbraw/zinc/22/78/37/387227837.db2.gz YRAHACVIPSYDJN-MRVPVSSYSA-N 1 2 226.280 -0.010 20 0 BBADLO C[C@H](O)CCNC(=O)NCc1c[nH+]cn1C ZINC000360106270 711959684 /nfs/dbraw/zinc/95/96/84/711959684.db2.gz YRAHACVIPSYDJN-QMMMGPOBSA-N 1 2 226.280 -0.010 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)NC[C@H](O)C1CC1 ZINC000360109577 384660055 /nfs/dbraw/zinc/66/00/55/384660055.db2.gz HMXHRJYCFWUSMD-JTQLQIEISA-N 1 2 238.291 -0.010 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)NC[C@@H](O)C1CC1 ZINC000360109578 384660673 /nfs/dbraw/zinc/66/06/73/384660673.db2.gz HMXHRJYCFWUSMD-SNVBAGLBSA-N 1 2 238.291 -0.010 20 0 BBADLO Cc1nc2[nH]ccc2c(NC[C@@](C)(O)CO)[nH+]1 ZINC000360124187 411776724 /nfs/dbraw/zinc/77/67/24/411776724.db2.gz RWFZNQRTHKLVTD-LLVKDONJSA-N 1 2 236.275 0.422 20 0 BBADLO Cc1nc2[nH]ccc2c(NC[C@](C)(O)CO)[nH+]1 ZINC000360124188 411777958 /nfs/dbraw/zinc/77/79/58/411777958.db2.gz RWFZNQRTHKLVTD-NSHDSACASA-N 1 2 236.275 0.422 20 0 BBADLO CN(C)c1ccc(CNC(=O)CC(N)=O)c[nH+]1 ZINC000360156251 387234582 /nfs/dbraw/zinc/23/45/82/387234582.db2.gz PBDJFJJKIHXTOQ-UHFFFAOYSA-N 1 2 236.275 -0.361 20 0 BBADLO C[C@@H]1COCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000360161155 176334949 /nfs/dbraw/zinc/33/49/49/176334949.db2.gz GABMLOHJNIDBLS-NXEZZACHSA-N 1 2 228.292 -0.436 20 0 BBADLO C[C@@H]1COCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000360161155 176334948 /nfs/dbraw/zinc/33/49/48/176334948.db2.gz GABMLOHJNIDBLS-NXEZZACHSA-N 1 2 228.292 -0.436 20 0 BBADLO C[C@H]1COCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000360161156 177289912 /nfs/dbraw/zinc/28/99/12/177289912.db2.gz GABMLOHJNIDBLS-UWVGGRQHSA-N 1 2 228.292 -0.436 20 0 BBADLO C[C@H]1COCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000360161156 177289911 /nfs/dbraw/zinc/28/99/11/177289911.db2.gz GABMLOHJNIDBLS-UWVGGRQHSA-N 1 2 228.292 -0.436 20 0 BBADLO C[C@H]1COCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000360161157 177290303 /nfs/dbraw/zinc/29/03/03/177290303.db2.gz GABMLOHJNIDBLS-VHSXEESVSA-N 1 2 228.292 -0.436 20 0 BBADLO C[C@H]1COCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000360161157 177290302 /nfs/dbraw/zinc/29/03/02/177290302.db2.gz GABMLOHJNIDBLS-VHSXEESVSA-N 1 2 228.292 -0.436 20 0 BBADLO C[C@@H]1COCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000360161158 176334676 /nfs/dbraw/zinc/33/46/76/176334676.db2.gz GABMLOHJNIDBLS-ZJUUUORDSA-N 1 2 228.292 -0.436 20 0 BBADLO C[C@@H]1COCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000360161158 176334674 /nfs/dbraw/zinc/33/46/74/176334674.db2.gz GABMLOHJNIDBLS-ZJUUUORDSA-N 1 2 228.292 -0.436 20 0 BBADLO CCOCCOC[C@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000360164868 387235466 /nfs/dbraw/zinc/23/54/66/387235466.db2.gz JQIWRPPBNKAHRA-LLVKDONJSA-N 1 2 243.307 -0.087 20 0 BBADLO CCOCCOC[C@@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000360164869 387236778 /nfs/dbraw/zinc/23/67/78/387236778.db2.gz JQIWRPPBNKAHRA-NSHDSACASA-N 1 2 243.307 -0.087 20 0 BBADLO NS(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000360236207 384788688 /nfs/dbraw/zinc/78/86/88/384788688.db2.gz CCSIAFAEENKXOX-MRVPVSSYSA-N 1 2 230.293 -0.277 20 0 BBADLO NS(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000360236210 384786497 /nfs/dbraw/zinc/78/64/97/384786497.db2.gz CCSIAFAEENKXOX-QMMMGPOBSA-N 1 2 230.293 -0.277 20 0 BBADLO CN(CC[NH+]1CCOCC1)C(=O)C1(C)COC1 ZINC000360294440 387258407 /nfs/dbraw/zinc/25/84/07/387258407.db2.gz ZHVMLYNJEMGTBQ-UHFFFAOYSA-N 1 2 242.319 -0.187 20 0 BBADLO C[NH+](C)C1CC[NH+](CCNC(=O)C(=O)[O-])CC1 ZINC000360412445 387279365 /nfs/dbraw/zinc/27/93/65/387279365.db2.gz FJIUQLOPIDIXHD-UHFFFAOYSA-N 1 2 243.307 -0.787 20 0 BBADLO CNC(=O)[C@@H](NC(=O)Cn1cc[nH+]c1)C(C)C ZINC000360453269 173296511 /nfs/dbraw/zinc/29/65/11/173296511.db2.gz CSUJKRQWJKSXAE-JTQLQIEISA-N 1 2 238.291 -0.230 20 0 BBADLO CNC(=O)[C@H](NC(=O)Cn1cc[nH+]c1)C(C)C ZINC000360453270 173305163 /nfs/dbraw/zinc/30/51/63/173305163.db2.gz CSUJKRQWJKSXAE-SNVBAGLBSA-N 1 2 238.291 -0.230 20 0 BBADLO COC(=O)[C@@H](CF)NC(=O)CCn1cc[nH+]c1 ZINC000360461002 385179744 /nfs/dbraw/zinc/17/97/44/385179744.db2.gz JLCVHUMICPQTKC-MRVPVSSYSA-N 1 2 243.238 -0.100 20 0 BBADLO COC(=O)[C@H](CF)NC(=O)CCn1cc[nH+]c1 ZINC000360461003 385182274 /nfs/dbraw/zinc/18/22/74/385182274.db2.gz JLCVHUMICPQTKC-QMMMGPOBSA-N 1 2 243.238 -0.100 20 0 BBADLO CN1CN(CC[NH+]2CCOCC2)CC1=O ZINC000360464399 173179486 /nfs/dbraw/zinc/17/94/86/173179486.db2.gz BPANNGBFABOKAS-UHFFFAOYSA-N 1 2 213.281 -0.950 20 0 BBADLO Cn1nnnc1C[N@@H+](C)CCC(C)(C)O ZINC000360466533 387290489 /nfs/dbraw/zinc/29/04/89/387290489.db2.gz HSCAYAMYDUEGHP-UHFFFAOYSA-N 1 2 213.285 -0.197 20 0 BBADLO Cn1nnnc1C[N@H+](C)CCC(C)(C)O ZINC000360466533 387290484 /nfs/dbraw/zinc/29/04/84/387290484.db2.gz HSCAYAMYDUEGHP-UHFFFAOYSA-N 1 2 213.285 -0.197 20 0 BBADLO CN1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1=O ZINC000360470982 173179783 /nfs/dbraw/zinc/17/97/83/173179783.db2.gz ATHPLFKPYRZUNZ-PHIMTYICSA-N 1 2 239.319 -0.419 20 0 BBADLO CN1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1=O ZINC000360470982 173179780 /nfs/dbraw/zinc/17/97/80/173179780.db2.gz ATHPLFKPYRZUNZ-PHIMTYICSA-N 1 2 239.319 -0.419 20 0 BBADLO CCN(CC(N)=O)C(=O)Cn1cc[nH+]c1 ZINC000360471475 387293820 /nfs/dbraw/zinc/29/38/20/387293820.db2.gz BFXOMQLRDSQMKC-UHFFFAOYSA-N 1 2 210.237 -0.783 20 0 BBADLO O=C(Cn1cc[nH+]c1)N[C@H](CO)[C@H]1CCCO1 ZINC000360472808 182071415 /nfs/dbraw/zinc/07/14/15/182071415.db2.gz HRESHNMQXBKQRD-NXEZZACHSA-N 1 2 239.275 -0.461 20 0 BBADLO O=C(Cn1cc[nH+]c1)N[C@@H](CO)[C@@H]1CCCO1 ZINC000360472809 182071041 /nfs/dbraw/zinc/07/10/41/182071041.db2.gz HRESHNMQXBKQRD-UWVGGRQHSA-N 1 2 239.275 -0.461 20 0 BBADLO O=C(Cn1cc[nH+]c1)N[C@@H](CO)[C@H]1CCCO1 ZINC000360472810 182070714 /nfs/dbraw/zinc/07/07/14/182070714.db2.gz HRESHNMQXBKQRD-VHSXEESVSA-N 1 2 239.275 -0.461 20 0 BBADLO O=C(Cn1cc[nH+]c1)N[C@H](CO)[C@@H]1CCCO1 ZINC000360472811 182071154 /nfs/dbraw/zinc/07/11/54/182071154.db2.gz HRESHNMQXBKQRD-ZJUUUORDSA-N 1 2 239.275 -0.461 20 0 BBADLO O=C(NCCCO)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000360491301 182169708 /nfs/dbraw/zinc/16/97/08/182169708.db2.gz MTHUKNIUASYOKY-MRVPVSSYSA-N 1 2 238.291 -0.051 20 0 BBADLO O=C(NCCCO)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000360491301 182169707 /nfs/dbraw/zinc/16/97/07/182169707.db2.gz MTHUKNIUASYOKY-MRVPVSSYSA-N 1 2 238.291 -0.051 20 0 BBADLO O=C(NCCCO)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000360491302 182169529 /nfs/dbraw/zinc/16/95/29/182169529.db2.gz MTHUKNIUASYOKY-QMMMGPOBSA-N 1 2 238.291 -0.051 20 0 BBADLO O=C(NCCCO)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000360491302 182169526 /nfs/dbraw/zinc/16/95/26/182169526.db2.gz MTHUKNIUASYOKY-QMMMGPOBSA-N 1 2 238.291 -0.051 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)N1CC(=O)N(C)C1 ZINC000360492129 387299534 /nfs/dbraw/zinc/29/95/34/387299534.db2.gz PRMSZNARFLXMRV-JTQLQIEISA-N 1 2 227.308 -0.561 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)N1CC(=O)N(C)C1 ZINC000360492130 387298612 /nfs/dbraw/zinc/29/86/12/387298612.db2.gz PRMSZNARFLXMRV-SNVBAGLBSA-N 1 2 227.308 -0.561 20 0 BBADLO C[C@@H](O)CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000360493904 387299829 /nfs/dbraw/zinc/29/98/29/387299829.db2.gz ZOJWCXQQKQLYEC-HTQZYQBOSA-N 1 2 238.291 -0.053 20 0 BBADLO C[C@@H](O)CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000360493904 387299826 /nfs/dbraw/zinc/29/98/26/387299826.db2.gz ZOJWCXQQKQLYEC-HTQZYQBOSA-N 1 2 238.291 -0.053 20 0 BBADLO C[C@H](O)CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000360493906 385217616 /nfs/dbraw/zinc/21/76/16/385217616.db2.gz ZOJWCXQQKQLYEC-JGVFFNPUSA-N 1 2 238.291 -0.053 20 0 BBADLO C[C@H](O)CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000360493906 385217610 /nfs/dbraw/zinc/21/76/10/385217610.db2.gz ZOJWCXQQKQLYEC-JGVFFNPUSA-N 1 2 238.291 -0.053 20 0 BBADLO C[C@@H](O)CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000360493908 385219548 /nfs/dbraw/zinc/21/95/48/385219548.db2.gz ZOJWCXQQKQLYEC-SFYZADRCSA-N 1 2 238.291 -0.053 20 0 BBADLO C[C@@H](O)CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000360493908 385219542 /nfs/dbraw/zinc/21/95/42/385219542.db2.gz ZOJWCXQQKQLYEC-SFYZADRCSA-N 1 2 238.291 -0.053 20 0 BBADLO C[C@H](O)CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000360493913 385220602 /nfs/dbraw/zinc/22/06/02/385220602.db2.gz ZOJWCXQQKQLYEC-YUMQZZPRSA-N 1 2 238.291 -0.053 20 0 BBADLO C[C@H](O)CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000360493913 385220600 /nfs/dbraw/zinc/22/06/00/385220600.db2.gz ZOJWCXQQKQLYEC-YUMQZZPRSA-N 1 2 238.291 -0.053 20 0 BBADLO COCC[NH+]1CCN(C(=O)C2(C)COC2)CC1 ZINC000360497766 174307973 /nfs/dbraw/zinc/30/79/73/174307973.db2.gz CDTBBIUAAXPRRD-UHFFFAOYSA-N 1 2 242.319 -0.187 20 0 BBADLO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000360543063 176183013 /nfs/dbraw/zinc/18/30/13/176183013.db2.gz GEKJGDJWTBOHAQ-PSASIEDQSA-N 1 2 236.275 -0.476 20 0 BBADLO C[C@@H]1CCNC(=O)[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000360543064 176184240 /nfs/dbraw/zinc/18/42/40/176184240.db2.gz GEKJGDJWTBOHAQ-SCZZXKLOSA-N 1 2 236.275 -0.476 20 0 BBADLO C[C@H]1CCNC(=O)[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000360543065 177173836 /nfs/dbraw/zinc/17/38/36/177173836.db2.gz GEKJGDJWTBOHAQ-WCBMZHEXSA-N 1 2 236.275 -0.476 20 0 BBADLO C[C@H]1CCNC(=O)[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000360543066 177173962 /nfs/dbraw/zinc/17/39/62/177173962.db2.gz GEKJGDJWTBOHAQ-WPRPVWTQSA-N 1 2 236.275 -0.476 20 0 BBADLO CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCNC1=O ZINC000360554918 387308765 /nfs/dbraw/zinc/30/87/65/387308765.db2.gz ZTPNZSSIKANVNW-SECBINFHSA-N 1 2 236.275 -0.380 20 0 BBADLO CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CCNC1=O ZINC000360554931 387308269 /nfs/dbraw/zinc/30/82/69/387308269.db2.gz ZTPNZSSIKANVNW-VIFPVBQESA-N 1 2 236.275 -0.380 20 0 BBADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](C)CF ZINC000360591513 167049856 /nfs/dbraw/zinc/04/98/56/167049856.db2.gz PKEHVYJFWMBONX-SECBINFHSA-N 1 2 247.314 -0.083 20 0 BBADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](C)CF ZINC000360591513 167049855 /nfs/dbraw/zinc/04/98/55/167049855.db2.gz PKEHVYJFWMBONX-SECBINFHSA-N 1 2 247.314 -0.083 20 0 BBADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H](C)CF ZINC000360591514 167048187 /nfs/dbraw/zinc/04/81/87/167048187.db2.gz PKEHVYJFWMBONX-VIFPVBQESA-N 1 2 247.314 -0.083 20 0 BBADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H](C)CF ZINC000360591514 167048181 /nfs/dbraw/zinc/04/81/81/167048181.db2.gz PKEHVYJFWMBONX-VIFPVBQESA-N 1 2 247.314 -0.083 20 0 BBADLO CC(C)[C@@H](NC(=O)Cn1cc[nH+]c1)C(N)=O ZINC000360597389 387319117 /nfs/dbraw/zinc/31/91/17/387319117.db2.gz PQWWTJPJHVSJPR-SECBINFHSA-N 1 2 224.264 -0.491 20 0 BBADLO CC(C)[C@H](NC(=O)Cn1cc[nH+]c1)C(N)=O ZINC000360597391 188242884 /nfs/dbraw/zinc/24/28/84/188242884.db2.gz PQWWTJPJHVSJPR-VIFPVBQESA-N 1 2 224.264 -0.491 20 0 BBADLO COC(=O)[C@@H](CF)NC(=O)Cn1cc[nH+]c1 ZINC000360599658 387318584 /nfs/dbraw/zinc/31/85/84/387318584.db2.gz UGHCNTYZESXBOX-SSDOTTSWSA-N 1 2 229.211 -0.490 20 0 BBADLO COC(=O)[C@H](CF)NC(=O)Cn1cc[nH+]c1 ZINC000360599672 387319138 /nfs/dbraw/zinc/31/91/38/387319138.db2.gz UGHCNTYZESXBOX-ZETCQYMHSA-N 1 2 229.211 -0.490 20 0 BBADLO CCOC(=O)[C@@H](CO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000360606962 170251427 /nfs/dbraw/zinc/25/14/27/170251427.db2.gz IASBSCDWBQYZPB-MRVPVSSYSA-N 1 2 241.247 -0.628 20 0 BBADLO CCOC(=O)[C@H](CO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000360606963 170273583 /nfs/dbraw/zinc/27/35/83/170273583.db2.gz IASBSCDWBQYZPB-QMMMGPOBSA-N 1 2 241.247 -0.628 20 0 BBADLO CNC(=O)C[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000360713042 173273886 /nfs/dbraw/zinc/27/38/86/173273886.db2.gz LCWYWAOESSXSAH-SECBINFHSA-N 1 2 248.348 -0.511 20 0 BBADLO CNC(=O)C[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000360713042 173273885 /nfs/dbraw/zinc/27/38/85/173273885.db2.gz LCWYWAOESSXSAH-SECBINFHSA-N 1 2 248.348 -0.511 20 0 BBADLO CNC(=O)C[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000360713043 173273589 /nfs/dbraw/zinc/27/35/89/173273589.db2.gz LCWYWAOESSXSAH-VIFPVBQESA-N 1 2 248.348 -0.511 20 0 BBADLO CNC(=O)C[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000360713043 173273588 /nfs/dbraw/zinc/27/35/88/173273588.db2.gz LCWYWAOESSXSAH-VIFPVBQESA-N 1 2 248.348 -0.511 20 0 BBADLO CC(=O)NCCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360815469 188242256 /nfs/dbraw/zinc/24/22/56/188242256.db2.gz GOXXXCSJLDHXGC-SSDOTTSWSA-N 1 2 235.234 -0.764 20 0 BBADLO CC(=O)NCCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360815470 387353911 /nfs/dbraw/zinc/35/39/11/387353911.db2.gz GOXXXCSJLDHXGC-ZETCQYMHSA-N 1 2 235.234 -0.764 20 0 BBADLO NC(=O)CCCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360816496 181223328 /nfs/dbraw/zinc/22/33/28/181223328.db2.gz HICXEWIMCMQVTL-LURJTMIESA-N 1 2 235.234 -0.635 20 0 BBADLO NC(=O)CCCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360816498 181222198 /nfs/dbraw/zinc/22/21/98/181222198.db2.gz HICXEWIMCMQVTL-ZCFIWIBFSA-N 1 2 235.234 -0.635 20 0 BBADLO CNC(=O)CCCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360818380 173240695 /nfs/dbraw/zinc/24/06/95/173240695.db2.gz PFFKWVCBJVPZSW-SSDOTTSWSA-N 1 2 249.261 -0.374 20 0 BBADLO CNC(=O)CCCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360818381 173240701 /nfs/dbraw/zinc/24/07/01/173240701.db2.gz PFFKWVCBJVPZSW-ZETCQYMHSA-N 1 2 249.261 -0.374 20 0 BBADLO C[C@@H](O)CN(C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000360917672 387366153 /nfs/dbraw/zinc/36/61/53/387366153.db2.gz FCCGBVGAJWCXPR-NXEZZACHSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@H](O)CN(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000360917682 385085627 /nfs/dbraw/zinc/08/56/27/385085627.db2.gz FCCGBVGAJWCXPR-UWVGGRQHSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@H](C(=O)N(C)C[C@H](C)O)[NH+]1CCOCC1 ZINC000360917683 385083925 /nfs/dbraw/zinc/08/39/25/385083925.db2.gz FCCGBVGAJWCXPR-VHSXEESVSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@@H](O)CN(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000360917684 387362183 /nfs/dbraw/zinc/36/21/83/387362183.db2.gz FCCGBVGAJWCXPR-ZJUUUORDSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000360924123 387365968 /nfs/dbraw/zinc/36/59/68/387365968.db2.gz GYWGCFDCCGNVCX-JTQLQIEISA-N 1 2 244.335 -0.064 20 0 BBADLO C[C@@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000360924124 387367260 /nfs/dbraw/zinc/36/72/60/387367260.db2.gz GYWGCFDCCGNVCX-SNVBAGLBSA-N 1 2 244.335 -0.064 20 0 BBADLO CNC(=O)N1CC[NH+](CCCC(=O)OC)CC1 ZINC000360966482 173284955 /nfs/dbraw/zinc/28/49/55/173284955.db2.gz PSQDJQOQDDRESA-UHFFFAOYSA-N 1 2 243.307 -0.103 20 0 BBADLO Cc1nc(NCCNc2cnccn2)cc[nH+]1 ZINC000360966781 180181848 /nfs/dbraw/zinc/18/18/48/180181848.db2.gz RJFXLJYXKFRNAZ-UHFFFAOYSA-N 1 2 230.275 -0.057 20 0 BBADLO COC(=O)CCC[N@@H+](C)Cc1nnnn1C ZINC000360970897 387378723 /nfs/dbraw/zinc/37/87/23/387378723.db2.gz WEAYKPFILPUPBS-UHFFFAOYSA-N 1 2 227.268 -0.405 20 0 BBADLO COC(=O)CCC[N@H+](C)Cc1nnnn1C ZINC000360970897 387378717 /nfs/dbraw/zinc/37/87/17/387378717.db2.gz WEAYKPFILPUPBS-UHFFFAOYSA-N 1 2 227.268 -0.405 20 0 BBADLO CO[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000360980993 387380376 /nfs/dbraw/zinc/38/03/76/387380376.db2.gz FHAHJEOZAVYOOP-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO CO[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000360980994 387380292 /nfs/dbraw/zinc/38/02/92/387380292.db2.gz FHAHJEOZAVYOOP-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO CO[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000360980995 387380200 /nfs/dbraw/zinc/38/02/00/387380200.db2.gz FHAHJEOZAVYOOP-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO CO[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000360980996 387379983 /nfs/dbraw/zinc/37/99/83/387379983.db2.gz FHAHJEOZAVYOOP-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO NS(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000360989054 385082075 /nfs/dbraw/zinc/08/20/75/385082075.db2.gz IZYYGPWWYJSQQQ-LURJTMIESA-N 1 2 216.266 -0.250 20 0 BBADLO NS(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000360989055 385079984 /nfs/dbraw/zinc/07/99/84/385079984.db2.gz IZYYGPWWYJSQQQ-ZCFIWIBFSA-N 1 2 216.266 -0.250 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)C[C@@H](C)O ZINC000361045801 170000793 /nfs/dbraw/zinc/00/07/93/170000793.db2.gz STEDOMBKHMOWBI-NXEZZACHSA-N 1 2 230.308 -0.454 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)C[C@@H](C)O ZINC000361045801 170000791 /nfs/dbraw/zinc/00/07/91/170000791.db2.gz STEDOMBKHMOWBI-NXEZZACHSA-N 1 2 230.308 -0.454 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)C[C@H](C)O ZINC000361045803 170001932 /nfs/dbraw/zinc/00/19/32/170001932.db2.gz STEDOMBKHMOWBI-UWVGGRQHSA-N 1 2 230.308 -0.454 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)C[C@H](C)O ZINC000361045803 170001931 /nfs/dbraw/zinc/00/19/31/170001931.db2.gz STEDOMBKHMOWBI-UWVGGRQHSA-N 1 2 230.308 -0.454 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)C[C@H](C)O ZINC000361045805 170000229 /nfs/dbraw/zinc/00/02/29/170000229.db2.gz STEDOMBKHMOWBI-VHSXEESVSA-N 1 2 230.308 -0.454 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)C[C@H](C)O ZINC000361045805 170000227 /nfs/dbraw/zinc/00/02/27/170000227.db2.gz STEDOMBKHMOWBI-VHSXEESVSA-N 1 2 230.308 -0.454 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)C[C@@H](C)O ZINC000361045807 170002252 /nfs/dbraw/zinc/00/22/52/170002252.db2.gz STEDOMBKHMOWBI-ZJUUUORDSA-N 1 2 230.308 -0.454 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)C[C@@H](C)O ZINC000361045807 170002251 /nfs/dbraw/zinc/00/22/51/170002251.db2.gz STEDOMBKHMOWBI-ZJUUUORDSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@H](C(=O)N1CCCOC1)[NH+]1CCN(C)CC1 ZINC000361115109 387404368 /nfs/dbraw/zinc/40/43/68/387404368.db2.gz JJZFGIAKICPHQQ-LLVKDONJSA-N 1 2 241.335 -0.171 20 0 BBADLO C[C@@H](C(=O)N1CCCOC1)[NH+]1CCN(C)CC1 ZINC000361115110 387403505 /nfs/dbraw/zinc/40/35/05/387403505.db2.gz JJZFGIAKICPHQQ-NSHDSACASA-N 1 2 241.335 -0.171 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](O)C2(C)C)C1 ZINC000361161101 173101152 /nfs/dbraw/zinc/10/11/52/173101152.db2.gz FZLBPJSTCXNOOO-NXEZZACHSA-N 1 2 242.319 -0.311 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](O)C2(C)C)C1 ZINC000361161101 173101150 /nfs/dbraw/zinc/10/11/50/173101150.db2.gz FZLBPJSTCXNOOO-NXEZZACHSA-N 1 2 242.319 -0.311 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](O)C2(C)C)C1 ZINC000361161102 173107494 /nfs/dbraw/zinc/10/74/94/173107494.db2.gz FZLBPJSTCXNOOO-UWVGGRQHSA-N 1 2 242.319 -0.311 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](O)C2(C)C)C1 ZINC000361161102 173107492 /nfs/dbraw/zinc/10/74/92/173107492.db2.gz FZLBPJSTCXNOOO-UWVGGRQHSA-N 1 2 242.319 -0.311 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](O)C2(C)C)C1 ZINC000361161103 173108067 /nfs/dbraw/zinc/10/80/67/173108067.db2.gz FZLBPJSTCXNOOO-VHSXEESVSA-N 1 2 242.319 -0.311 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](O)C2(C)C)C1 ZINC000361161103 173108065 /nfs/dbraw/zinc/10/80/65/173108065.db2.gz FZLBPJSTCXNOOO-VHSXEESVSA-N 1 2 242.319 -0.311 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](O)C2(C)C)C1 ZINC000361161104 173099760 /nfs/dbraw/zinc/09/97/60/173099760.db2.gz FZLBPJSTCXNOOO-ZJUUUORDSA-N 1 2 242.319 -0.311 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](O)C2(C)C)C1 ZINC000361161104 173099757 /nfs/dbraw/zinc/09/97/57/173099757.db2.gz FZLBPJSTCXNOOO-ZJUUUORDSA-N 1 2 242.319 -0.311 20 0 BBADLO CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCOC1 ZINC000361200324 387415649 /nfs/dbraw/zinc/41/56/49/387415649.db2.gz LHRCUOKUKIVZBZ-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CCOC1 ZINC000361200324 387415644 /nfs/dbraw/zinc/41/56/44/387415644.db2.gz LHRCUOKUKIVZBZ-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCOC1 ZINC000361200325 387416634 /nfs/dbraw/zinc/41/66/34/387416634.db2.gz LHRCUOKUKIVZBZ-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCOC1 ZINC000361200325 387416630 /nfs/dbraw/zinc/41/66/30/387416630.db2.gz LHRCUOKUKIVZBZ-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCOC1 ZINC000361200327 387416158 /nfs/dbraw/zinc/41/61/58/387416158.db2.gz LHRCUOKUKIVZBZ-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCOC1 ZINC000361200327 387416156 /nfs/dbraw/zinc/41/61/56/387416156.db2.gz LHRCUOKUKIVZBZ-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CCOC1 ZINC000361200328 387416754 /nfs/dbraw/zinc/41/67/54/387416754.db2.gz LHRCUOKUKIVZBZ-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CCOC1 ZINC000361200328 387416751 /nfs/dbraw/zinc/41/67/51/387416751.db2.gz LHRCUOKUKIVZBZ-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO CNC(=O)C[N@@H+](C)Cc1ccnc(C)n1 ZINC000361220343 173270699 /nfs/dbraw/zinc/27/06/99/173270699.db2.gz KWTLOZKXMSOASD-UHFFFAOYSA-N 1 2 208.265 -0.037 20 0 BBADLO CNC(=O)C[N@H+](C)Cc1ccnc(C)n1 ZINC000361220343 173270697 /nfs/dbraw/zinc/27/06/97/173270697.db2.gz KWTLOZKXMSOASD-UHFFFAOYSA-N 1 2 208.265 -0.037 20 0 BBADLO Cc1cnc(N2CCC[N@@H+](CC(N)=O)CC2)nc1 ZINC000361228835 387420355 /nfs/dbraw/zinc/42/03/55/387420355.db2.gz RZDXPCZWMTWYKV-UHFFFAOYSA-N 1 2 249.318 -0.218 20 0 BBADLO Cc1cnc(N2CCC[N@H+](CC(N)=O)CC2)nc1 ZINC000361228835 387420352 /nfs/dbraw/zinc/42/03/52/387420352.db2.gz RZDXPCZWMTWYKV-UHFFFAOYSA-N 1 2 249.318 -0.218 20 0 BBADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCC(=O)N1 ZINC000361278148 387431375 /nfs/dbraw/zinc/43/13/75/387431375.db2.gz IYPJZGNJUUPUAZ-IONNQARKSA-N 1 2 248.286 -0.338 20 0 BBADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCC(=O)N1 ZINC000361278148 387431371 /nfs/dbraw/zinc/43/13/71/387431371.db2.gz IYPJZGNJUUPUAZ-IONNQARKSA-N 1 2 248.286 -0.338 20 0 BBADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCC(=O)N1 ZINC000361278149 387431251 /nfs/dbraw/zinc/43/12/51/387431251.db2.gz IYPJZGNJUUPUAZ-VXNVDRBHSA-N 1 2 248.286 -0.338 20 0 BBADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCC(=O)N1 ZINC000361278149 387431249 /nfs/dbraw/zinc/43/12/49/387431249.db2.gz IYPJZGNJUUPUAZ-VXNVDRBHSA-N 1 2 248.286 -0.338 20 0 BBADLO O[C@H]1COC[C@H]1N1CCn2cc[nH+]c2C1 ZINC000361287560 183246287 /nfs/dbraw/zinc/24/62/87/183246287.db2.gz LNZCROWAUUYLLV-BDAKNGLRSA-N 1 2 209.249 -0.542 20 0 BBADLO O[C@@H]1COC[C@@H]1N1CCn2cc[nH+]c2C1 ZINC000361287561 183210231 /nfs/dbraw/zinc/21/02/31/183210231.db2.gz LNZCROWAUUYLLV-DTWKUNHWSA-N 1 2 209.249 -0.542 20 0 BBADLO O[C@H]1COC[C@@H]1N1CCn2cc[nH+]c2C1 ZINC000361287562 183247049 /nfs/dbraw/zinc/24/70/49/183247049.db2.gz LNZCROWAUUYLLV-IUCAKERBSA-N 1 2 209.249 -0.542 20 0 BBADLO O[C@@H]1COC[C@H]1N1CCn2cc[nH+]c2C1 ZINC000361287563 183209896 /nfs/dbraw/zinc/20/98/96/183209896.db2.gz LNZCROWAUUYLLV-RKDXNWHRSA-N 1 2 209.249 -0.542 20 0 BBADLO CC(C)C(=O)N1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000361291388 387433217 /nfs/dbraw/zinc/43/32/17/387433217.db2.gz XHTHQZRJVINEAX-GHMZBOCLSA-N 1 2 242.319 -0.454 20 0 BBADLO CC(C)C(=O)N1CC[NH+]([C@@H]2COC[C@@H]2O)CC1 ZINC000361291389 387433568 /nfs/dbraw/zinc/43/35/68/387433568.db2.gz XHTHQZRJVINEAX-MNOVXSKESA-N 1 2 242.319 -0.454 20 0 BBADLO CC(C)C(=O)N1CC[NH+]([C@H]2COC[C@@H]2O)CC1 ZINC000361291390 387434982 /nfs/dbraw/zinc/43/49/82/387434982.db2.gz XHTHQZRJVINEAX-QWRGUYRKSA-N 1 2 242.319 -0.454 20 0 BBADLO CC(C)C(=O)N1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000361291391 166709132 /nfs/dbraw/zinc/70/91/32/166709132.db2.gz XHTHQZRJVINEAX-WDEREUQCSA-N 1 2 242.319 -0.454 20 0 BBADLO C[N@@H+](CC(=O)NC(C)(C)C)[C@@H]1COC[C@@H]1O ZINC000361293995 387434159 /nfs/dbraw/zinc/43/41/59/387434159.db2.gz BJGIBPRSSNKION-BDAKNGLRSA-N 1 2 230.308 -0.407 20 0 BBADLO C[N@H+](CC(=O)NC(C)(C)C)[C@@H]1COC[C@@H]1O ZINC000361293995 387434156 /nfs/dbraw/zinc/43/41/56/387434156.db2.gz BJGIBPRSSNKION-BDAKNGLRSA-N 1 2 230.308 -0.407 20 0 BBADLO C[N@@H+](CC(=O)NC(C)(C)C)[C@H]1COC[C@H]1O ZINC000361293996 387434254 /nfs/dbraw/zinc/43/42/54/387434254.db2.gz BJGIBPRSSNKION-DTWKUNHWSA-N 1 2 230.308 -0.407 20 0 BBADLO C[N@H+](CC(=O)NC(C)(C)C)[C@H]1COC[C@H]1O ZINC000361293996 387434246 /nfs/dbraw/zinc/43/42/46/387434246.db2.gz BJGIBPRSSNKION-DTWKUNHWSA-N 1 2 230.308 -0.407 20 0 BBADLO C[N@@H+](CC(=O)NC(C)(C)C)[C@H]1COC[C@@H]1O ZINC000361293997 387435024 /nfs/dbraw/zinc/43/50/24/387435024.db2.gz BJGIBPRSSNKION-IUCAKERBSA-N 1 2 230.308 -0.407 20 0 BBADLO C[N@H+](CC(=O)NC(C)(C)C)[C@H]1COC[C@@H]1O ZINC000361293997 387435019 /nfs/dbraw/zinc/43/50/19/387435019.db2.gz BJGIBPRSSNKION-IUCAKERBSA-N 1 2 230.308 -0.407 20 0 BBADLO C[N@@H+](CC(=O)NC(C)(C)C)[C@@H]1COC[C@H]1O ZINC000361293998 385142803 /nfs/dbraw/zinc/14/28/03/385142803.db2.gz BJGIBPRSSNKION-RKDXNWHRSA-N 1 2 230.308 -0.407 20 0 BBADLO C[N@H+](CC(=O)NC(C)(C)C)[C@@H]1COC[C@H]1O ZINC000361293998 385142797 /nfs/dbraw/zinc/14/27/97/385142797.db2.gz BJGIBPRSSNKION-RKDXNWHRSA-N 1 2 230.308 -0.407 20 0 BBADLO O[C@H]1COC[C@H]1[NH+]1CCN(CC(F)F)CC1 ZINC000361298889 183246896 /nfs/dbraw/zinc/24/68/96/183246896.db2.gz KAHXJQOEQBTPJD-BDAKNGLRSA-N 1 2 236.262 -0.371 20 0 BBADLO O[C@@H]1COC[C@@H]1[NH+]1CCN(CC(F)F)CC1 ZINC000361298890 183209592 /nfs/dbraw/zinc/20/95/92/183209592.db2.gz KAHXJQOEQBTPJD-DTWKUNHWSA-N 1 2 236.262 -0.371 20 0 BBADLO O[C@H]1COC[C@@H]1[NH+]1CCN(CC(F)F)CC1 ZINC000361298891 183246604 /nfs/dbraw/zinc/24/66/04/183246604.db2.gz KAHXJQOEQBTPJD-IUCAKERBSA-N 1 2 236.262 -0.371 20 0 BBADLO O[C@@H]1COC[C@H]1[NH+]1CCN(CC(F)F)CC1 ZINC000361298892 183209985 /nfs/dbraw/zinc/20/99/85/183209985.db2.gz KAHXJQOEQBTPJD-RKDXNWHRSA-N 1 2 236.262 -0.371 20 0 BBADLO NS(=O)(=O)[C@@H]1CCCN(Cc2c[nH+]c[nH]2)C1 ZINC000361303054 387437365 /nfs/dbraw/zinc/43/73/65/387437365.db2.gz BDBMUXBXFHEAAB-SECBINFHSA-N 1 2 244.320 -0.337 20 0 BBADLO NS(=O)(=O)[C@H]1CCCN(Cc2c[nH+]c[nH]2)C1 ZINC000361303060 387436954 /nfs/dbraw/zinc/43/69/54/387436954.db2.gz BDBMUXBXFHEAAB-VIFPVBQESA-N 1 2 244.320 -0.337 20 0 BBADLO C[N@@H+](Cc1cnc[nH]1)[C@]1(CO)CCOC1 ZINC000361307917 387437721 /nfs/dbraw/zinc/43/77/21/387437721.db2.gz DBRHIVBVTCNGLO-JTQLQIEISA-N 1 2 211.265 -0.007 20 0 BBADLO C[N@H+](Cc1cnc[nH]1)[C@]1(CO)CCOC1 ZINC000361307917 387437715 /nfs/dbraw/zinc/43/77/15/387437715.db2.gz DBRHIVBVTCNGLO-JTQLQIEISA-N 1 2 211.265 -0.007 20 0 BBADLO C[N@@H+](Cc1c[nH]cn1)[C@]1(CO)CCOC1 ZINC000361307917 387437707 /nfs/dbraw/zinc/43/77/07/387437707.db2.gz DBRHIVBVTCNGLO-JTQLQIEISA-N 1 2 211.265 -0.007 20 0 BBADLO C[N@H+](Cc1c[nH]cn1)[C@]1(CO)CCOC1 ZINC000361307917 387437702 /nfs/dbraw/zinc/43/77/02/387437702.db2.gz DBRHIVBVTCNGLO-JTQLQIEISA-N 1 2 211.265 -0.007 20 0 BBADLO C[N@@H+](Cc1cnc[nH]1)[C@@]1(CO)CCOC1 ZINC000361307920 387437618 /nfs/dbraw/zinc/43/76/18/387437618.db2.gz DBRHIVBVTCNGLO-SNVBAGLBSA-N 1 2 211.265 -0.007 20 0 BBADLO C[N@H+](Cc1cnc[nH]1)[C@@]1(CO)CCOC1 ZINC000361307920 387437612 /nfs/dbraw/zinc/43/76/12/387437612.db2.gz DBRHIVBVTCNGLO-SNVBAGLBSA-N 1 2 211.265 -0.007 20 0 BBADLO C[N@@H+](Cc1c[nH]cn1)[C@@]1(CO)CCOC1 ZINC000361307920 387437605 /nfs/dbraw/zinc/43/76/05/387437605.db2.gz DBRHIVBVTCNGLO-SNVBAGLBSA-N 1 2 211.265 -0.007 20 0 BBADLO C[N@H+](Cc1c[nH]cn1)[C@@]1(CO)CCOC1 ZINC000361307920 387437602 /nfs/dbraw/zinc/43/76/02/387437602.db2.gz DBRHIVBVTCNGLO-SNVBAGLBSA-N 1 2 211.265 -0.007 20 0 BBADLO CN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C2CC2)C1=O ZINC000361316685 172364309 /nfs/dbraw/zinc/36/43/09/172364309.db2.gz SYIMIHPOGRTJSU-JTQLQIEISA-N 1 2 239.319 -0.230 20 0 BBADLO CN(C)C(=O)C[N@H+](C)[C@H]1CCN(C2CC2)C1=O ZINC000361316685 172364308 /nfs/dbraw/zinc/36/43/08/172364308.db2.gz SYIMIHPOGRTJSU-JTQLQIEISA-N 1 2 239.319 -0.230 20 0 BBADLO CN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C2CC2)C1=O ZINC000361316686 172363662 /nfs/dbraw/zinc/36/36/62/172363662.db2.gz SYIMIHPOGRTJSU-SNVBAGLBSA-N 1 2 239.319 -0.230 20 0 BBADLO CN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C2CC2)C1=O ZINC000361316686 172363660 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COCC[C@@H]1COCC[N@@H+]1CC(=O)N(C)C ZINC000361518557 174399179 /nfs/dbraw/zinc/39/91/79/174399179.db2.gz IHHNYOOOJZZDLI-SNVBAGLBSA-N 1 2 230.308 -0.188 20 0 BBADLO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1cn(C)nn1 ZINC000361563734 387492669 /nfs/dbraw/zinc/49/26/69/387492669.db2.gz HGPCDSXCCNZAQE-GXSJLCMTSA-N 1 2 240.307 -0.213 20 0 BBADLO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1cn(C)nn1 ZINC000361563734 387492661 /nfs/dbraw/zinc/49/26/61/387492661.db2.gz HGPCDSXCCNZAQE-GXSJLCMTSA-N 1 2 240.307 -0.213 20 0 BBADLO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cn(C)nn1 ZINC000361563743 387493485 /nfs/dbraw/zinc/49/34/85/387493485.db2.gz HGPCDSXCCNZAQE-KOLCDFICSA-N 1 2 240.307 -0.213 20 0 BBADLO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1cn(C)nn1 ZINC000361563743 387493482 /nfs/dbraw/zinc/49/34/82/387493482.db2.gz HGPCDSXCCNZAQE-KOLCDFICSA-N 1 2 240.307 -0.213 20 0 BBADLO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1cn(C)nn1 ZINC000361563745 387493258 /nfs/dbraw/zinc/49/32/58/387493258.db2.gz HGPCDSXCCNZAQE-MWLCHTKSSA-N 1 2 240.307 -0.213 20 0 BBADLO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1cn(C)nn1 ZINC000361563745 387493255 /nfs/dbraw/zinc/49/32/55/387493255.db2.gz HGPCDSXCCNZAQE-MWLCHTKSSA-N 1 2 240.307 -0.213 20 0 BBADLO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cn(C)nn1 ZINC000361563890 387493588 /nfs/dbraw/zinc/49/35/88/387493588.db2.gz HGPCDSXCCNZAQE-ONGXEEELSA-N 1 2 240.307 -0.213 20 0 BBADLO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1cn(C)nn1 ZINC000361563890 387493582 /nfs/dbraw/zinc/49/35/82/387493582.db2.gz HGPCDSXCCNZAQE-ONGXEEELSA-N 1 2 240.307 -0.213 20 0 BBADLO CC[N@@H+](Cc1nnnn1C)[C@@H]1CCOC1 ZINC000361588053 356935052 /nfs/dbraw/zinc/93/50/52/356935052.db2.gz DSYISSSPTFHFIH-MRVPVSSYSA-N 1 2 211.269 -0.179 20 0 BBADLO CC[N@H+](Cc1nnnn1C)[C@@H]1CCOC1 ZINC000361588053 356935049 /nfs/dbraw/zinc/93/50/49/356935049.db2.gz DSYISSSPTFHFIH-MRVPVSSYSA-N 1 2 211.269 -0.179 20 0 BBADLO CC[N@@H+](Cc1nnnn1C)[C@H]1CCOC1 ZINC000361588054 169939775 /nfs/dbraw/zinc/93/97/75/169939775.db2.gz DSYISSSPTFHFIH-QMMMGPOBSA-N 1 2 211.269 -0.179 20 0 BBADLO CC[N@H+](Cc1nnnn1C)[C@H]1CCOC1 ZINC000361588054 169939774 /nfs/dbraw/zinc/93/97/74/169939774.db2.gz DSYISSSPTFHFIH-QMMMGPOBSA-N 1 2 211.269 -0.179 20 0 BBADLO Cn1cnnc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000361589788 173099899 /nfs/dbraw/zinc/09/98/99/173099899.db2.gz QVMVJGACSPJLRG-SSDOTTSWSA-N 1 2 225.252 -0.916 20 0 BBADLO Cn1cnnc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000361589788 173099897 /nfs/dbraw/zinc/09/98/97/173099897.db2.gz QVMVJGACSPJLRG-SSDOTTSWSA-N 1 2 225.252 -0.916 20 0 BBADLO Cn1cnnc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000361589789 173107347 /nfs/dbraw/zinc/10/73/47/173107347.db2.gz QVMVJGACSPJLRG-ZETCQYMHSA-N 1 2 225.252 -0.916 20 0 BBADLO Cn1cnnc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000361589789 173107344 /nfs/dbraw/zinc/10/73/44/173107344.db2.gz QVMVJGACSPJLRG-ZETCQYMHSA-N 1 2 225.252 -0.916 20 0 BBADLO CC[N@@H+](Cc1nc(N)nc(N)n1)[C@@H]1CCOC1 ZINC000361590514 384998772 /nfs/dbraw/zinc/99/87/72/384998772.db2.gz UUVLTTYZJCQROO-SSDOTTSWSA-N 1 2 238.295 -0.692 20 0 BBADLO CC[N@H+](Cc1nc(N)nc(N)n1)[C@@H]1CCOC1 ZINC000361590514 384998763 /nfs/dbraw/zinc/99/87/63/384998763.db2.gz UUVLTTYZJCQROO-SSDOTTSWSA-N 1 2 238.295 -0.692 20 0 BBADLO CC[N@@H+](Cc1nc(N)nc(N)n1)[C@H]1CCOC1 ZINC000361590522 384999027 /nfs/dbraw/zinc/99/90/27/384999027.db2.gz UUVLTTYZJCQROO-ZETCQYMHSA-N 1 2 238.295 -0.692 20 0 BBADLO CC[N@H+](Cc1nc(N)nc(N)n1)[C@H]1CCOC1 ZINC000361590522 384999021 /nfs/dbraw/zinc/99/90/21/384999021.db2.gz UUVLTTYZJCQROO-ZETCQYMHSA-N 1 2 238.295 -0.692 20 0 BBADLO C[N@@H+](CCO)Cc1nnnn1C(C)(C)C ZINC000361616890 387510625 /nfs/dbraw/zinc/51/06/25/387510625.db2.gz QVUWPTJKLXIXKA-UHFFFAOYSA-N 1 2 213.285 -0.148 20 0 BBADLO C[N@H+](CCO)Cc1nnnn1C(C)(C)C ZINC000361616890 387510622 /nfs/dbraw/zinc/51/06/22/387510622.db2.gz QVUWPTJKLXIXKA-UHFFFAOYSA-N 1 2 213.285 -0.148 20 0 BBADLO CCOC[C@@H](O)C[N@@H+](C)[C@H](C)C(=O)OC ZINC000361639841 387515571 /nfs/dbraw/zinc/51/55/71/387515571.db2.gz QOIZMJIPDLLOGB-BDAKNGLRSA-N 1 2 219.281 -0.123 20 0 BBADLO CCOC[C@@H](O)C[N@H+](C)[C@H](C)C(=O)OC ZINC000361639841 387515567 /nfs/dbraw/zinc/51/55/67/387515567.db2.gz QOIZMJIPDLLOGB-BDAKNGLRSA-N 1 2 219.281 -0.123 20 0 BBADLO CCOC[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)OC ZINC000361639842 387516742 /nfs/dbraw/zinc/51/67/42/387516742.db2.gz QOIZMJIPDLLOGB-DTWKUNHWSA-N 1 2 219.281 -0.123 20 0 BBADLO CCOC[C@H](O)C[N@H+](C)[C@@H](C)C(=O)OC ZINC000361639842 387516739 /nfs/dbraw/zinc/51/67/39/387516739.db2.gz QOIZMJIPDLLOGB-DTWKUNHWSA-N 1 2 219.281 -0.123 20 0 BBADLO CCOC[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)OC ZINC000361639843 387516316 /nfs/dbraw/zinc/51/63/16/387516316.db2.gz QOIZMJIPDLLOGB-IUCAKERBSA-N 1 2 219.281 -0.123 20 0 BBADLO CCOC[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)OC ZINC000361639843 387516313 /nfs/dbraw/zinc/51/63/13/387516313.db2.gz QOIZMJIPDLLOGB-IUCAKERBSA-N 1 2 219.281 -0.123 20 0 BBADLO CCOC[C@H](O)C[N@@H+](C)[C@H](C)C(=O)OC ZINC000361639849 387516132 /nfs/dbraw/zinc/51/61/32/387516132.db2.gz QOIZMJIPDLLOGB-RKDXNWHRSA-N 1 2 219.281 -0.123 20 0 BBADLO CCOC[C@H](O)C[N@H+](C)[C@H](C)C(=O)OC ZINC000361639849 387516129 /nfs/dbraw/zinc/51/61/29/387516129.db2.gz QOIZMJIPDLLOGB-RKDXNWHRSA-N 1 2 219.281 -0.123 20 0 BBADLO CCOC(=O)[C@](C)(O)C[N@@H+](C)[C@@H](C)C(=O)OC ZINC000361641902 170283513 /nfs/dbraw/zinc/28/35/13/170283513.db2.gz FCBCZTVJXQMJOE-GZMMTYOYSA-N 1 2 247.291 -0.206 20 0 BBADLO CCOC(=O)[C@](C)(O)C[N@H+](C)[C@@H](C)C(=O)OC ZINC000361641902 170283512 /nfs/dbraw/zinc/28/35/12/170283512.db2.gz FCBCZTVJXQMJOE-GZMMTYOYSA-N 1 2 247.291 -0.206 20 0 BBADLO CCOC(=O)[C@@](C)(O)C[N@@H+](C)[C@H](C)C(=O)OC ZINC000361641903 170261505 /nfs/dbraw/zinc/26/15/05/170261505.db2.gz FCBCZTVJXQMJOE-KCJUWKMLSA-N 1 2 247.291 -0.206 20 0 BBADLO CCOC(=O)[C@@](C)(O)C[N@H+](C)[C@H](C)C(=O)OC ZINC000361641903 170261503 /nfs/dbraw/zinc/26/15/03/170261503.db2.gz FCBCZTVJXQMJOE-KCJUWKMLSA-N 1 2 247.291 -0.206 20 0 BBADLO CCOC(=O)[C@@](C)(O)C[N@@H+](C)[C@@H](C)C(=O)OC ZINC000361641904 170261981 /nfs/dbraw/zinc/26/19/81/170261981.db2.gz FCBCZTVJXQMJOE-KWQFWETISA-N 1 2 247.291 -0.206 20 0 BBADLO CCOC(=O)[C@@](C)(O)C[N@H+](C)[C@@H](C)C(=O)OC ZINC000361641904 170261980 /nfs/dbraw/zinc/26/19/80/170261980.db2.gz FCBCZTVJXQMJOE-KWQFWETISA-N 1 2 247.291 -0.206 20 0 BBADLO CCOC(=O)[C@](C)(O)C[N@@H+](C)[C@H](C)C(=O)OC ZINC000361641905 170283463 /nfs/dbraw/zinc/28/34/63/170283463.db2.gz FCBCZTVJXQMJOE-LDYMZIIASA-N 1 2 247.291 -0.206 20 0 BBADLO CCOC(=O)[C@](C)(O)C[N@H+](C)[C@H](C)C(=O)OC ZINC000361641905 170283461 /nfs/dbraw/zinc/28/34/61/170283461.db2.gz FCBCZTVJXQMJOE-LDYMZIIASA-N 1 2 247.291 -0.206 20 0 BBADLO CCOC(=O)[C@](C)(O)CNc1cc(C)[nH+]cn1 ZINC000361670371 411683412 /nfs/dbraw/zinc/68/34/12/411683412.db2.gz OYICSIRTLDIEOT-LLVKDONJSA-N 1 2 239.275 0.511 20 0 BBADLO CCOC(=O)[C@@](C)(O)CNc1cc(C)[nH+]cn1 ZINC000361670372 411683208 /nfs/dbraw/zinc/68/32/08/411683208.db2.gz OYICSIRTLDIEOT-NSHDSACASA-N 1 2 239.275 0.511 20 0 BBADLO CCOC(=O)[C@](C)(O)CNc1cc[nH+]c(C)n1 ZINC000361671680 411684661 /nfs/dbraw/zinc/68/46/61/411684661.db2.gz VFCSEQPYJXUSEJ-LLVKDONJSA-N 1 2 239.275 0.511 20 0 BBADLO CCOC(=O)[C@@](C)(O)CNc1cc[nH+]c(C)n1 ZINC000361671681 411682732 /nfs/dbraw/zinc/68/27/32/411682732.db2.gz VFCSEQPYJXUSEJ-NSHDSACASA-N 1 2 239.275 0.511 20 0 BBADLO CCOC(=O)C[NH+]1CCC(NC(=O)NC)CC1 ZINC000361747635 170219220 /nfs/dbraw/zinc/21/92/20/170219220.db2.gz CVPYZFCHJNAPSL-UHFFFAOYSA-N 1 2 243.307 -0.057 20 0 BBADLO C[C@H](CC(N)=O)NC(=O)NCCn1cc[nH+]c1 ZINC000361863549 176608061 /nfs/dbraw/zinc/60/80/61/176608061.db2.gz NUCFVRUWEUJCMJ-MRVPVSSYSA-N 1 2 239.279 -0.554 20 0 BBADLO C[C@@H](CC(N)=O)NC(=O)NCCn1cc[nH+]c1 ZINC000361863553 387546982 /nfs/dbraw/zinc/54/69/82/387546982.db2.gz NUCFVRUWEUJCMJ-QMMMGPOBSA-N 1 2 239.279 -0.554 20 0 BBADLO C[C@@H](O)CN(C)C(=O)NCCn1cc[nH+]c1 ZINC000361870623 387547441 /nfs/dbraw/zinc/54/74/41/387547441.db2.gz CEBPUKJROASKOY-SECBINFHSA-N 1 2 226.280 -0.095 20 0 BBADLO C[C@H](O)CN(C)C(=O)NCCn1cc[nH+]c1 ZINC000361870624 387546950 /nfs/dbraw/zinc/54/69/50/387546950.db2.gz CEBPUKJROASKOY-VIFPVBQESA-N 1 2 226.280 -0.095 20 0 BBADLO NC(=O)CCCC(=O)Nc1cc[nH+]cc1O ZINC000361879036 181220295 /nfs/dbraw/zinc/22/02/95/181220295.db2.gz DYJPVCZIVRYYTM-UHFFFAOYSA-N 1 2 223.232 -0.197 20 0 BBADLO CC(C)(C)n1nnnc1C[N@H+]1CC[C@@H](O)C1 ZINC000361930174 385190452 /nfs/dbraw/zinc/19/04/52/385190452.db2.gz OGVGYTXIDAEMEH-MRVPVSSYSA-N 1 2 225.296 -0.005 20 0 BBADLO CC(C)(C)n1nnnc1C[N@@H+]1CC[C@@H](O)C1 ZINC000361930174 385190445 /nfs/dbraw/zinc/19/04/45/385190445.db2.gz OGVGYTXIDAEMEH-MRVPVSSYSA-N 1 2 225.296 -0.005 20 0 BBADLO CC(C)(C)n1nnnc1C[N@H+]1CC[C@H](O)C1 ZINC000361930176 385190864 /nfs/dbraw/zinc/19/08/64/385190864.db2.gz OGVGYTXIDAEMEH-QMMMGPOBSA-N 1 2 225.296 -0.005 20 0 BBADLO CC(C)(C)n1nnnc1C[N@@H+]1CC[C@H](O)C1 ZINC000361930176 385190861 /nfs/dbraw/zinc/19/08/61/385190861.db2.gz OGVGYTXIDAEMEH-QMMMGPOBSA-N 1 2 225.296 -0.005 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000361935795 171244421 /nfs/dbraw/zinc/24/44/21/171244421.db2.gz DHAMGMPRSUPXDY-HTQZYQBOSA-N 1 2 227.264 -0.613 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000361935795 171244419 /nfs/dbraw/zinc/24/44/19/171244419.db2.gz DHAMGMPRSUPXDY-HTQZYQBOSA-N 1 2 227.264 -0.613 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000361935801 171244690 /nfs/dbraw/zinc/24/46/90/171244690.db2.gz DHAMGMPRSUPXDY-JGVFFNPUSA-N 1 2 227.264 -0.613 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000361935801 171244688 /nfs/dbraw/zinc/24/46/88/171244688.db2.gz DHAMGMPRSUPXDY-JGVFFNPUSA-N 1 2 227.264 -0.613 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000361935802 387554701 /nfs/dbraw/zinc/55/47/01/387554701.db2.gz DHAMGMPRSUPXDY-SFYZADRCSA-N 1 2 227.264 -0.613 20 0 BBADLO CC[C@@H](C(N)=O)[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000361935802 387554696 /nfs/dbraw/zinc/55/46/96/387554696.db2.gz DHAMGMPRSUPXDY-SFYZADRCSA-N 1 2 227.264 -0.613 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000361935803 387553953 /nfs/dbraw/zinc/55/39/53/387553953.db2.gz DHAMGMPRSUPXDY-YUMQZZPRSA-N 1 2 227.264 -0.613 20 0 BBADLO CC[C@@H](C(N)=O)[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000361935803 387553950 /nfs/dbraw/zinc/55/39/50/387553950.db2.gz DHAMGMPRSUPXDY-YUMQZZPRSA-N 1 2 227.264 -0.613 20 0 BBADLO CCN(C)C(=O)C[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000361941766 387554020 /nfs/dbraw/zinc/55/40/20/387554020.db2.gz UEKYZHLGGFQJQY-SECBINFHSA-N 1 2 241.291 -0.399 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000361941766 387554017 /nfs/dbraw/zinc/55/40/17/387554017.db2.gz UEKYZHLGGFQJQY-SECBINFHSA-N 1 2 241.291 -0.399 20 0 BBADLO CCN(C)C(=O)C[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000361941771 387554759 /nfs/dbraw/zinc/55/47/59/387554759.db2.gz UEKYZHLGGFQJQY-VIFPVBQESA-N 1 2 241.291 -0.399 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000361941771 387554755 /nfs/dbraw/zinc/55/47/55/387554755.db2.gz UEKYZHLGGFQJQY-VIFPVBQESA-N 1 2 241.291 -0.399 20 0 BBADLO C[C@@H](O)CN(C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000361979813 387557372 /nfs/dbraw/zinc/55/73/72/387557372.db2.gz ZWNRVQLPUBDWJK-NXEZZACHSA-N 1 2 245.323 -0.661 20 0 BBADLO C[C@@H](O)CN(C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000361979813 387557367 /nfs/dbraw/zinc/55/73/67/387557367.db2.gz ZWNRVQLPUBDWJK-NXEZZACHSA-N 1 2 245.323 -0.661 20 0 BBADLO C[C@H](O)CN(C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000361979816 387558289 /nfs/dbraw/zinc/55/82/89/387558289.db2.gz ZWNRVQLPUBDWJK-UWVGGRQHSA-N 1 2 245.323 -0.661 20 0 BBADLO C[C@H](O)CN(C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000361979816 387558285 /nfs/dbraw/zinc/55/82/85/387558285.db2.gz ZWNRVQLPUBDWJK-UWVGGRQHSA-N 1 2 245.323 -0.661 20 0 BBADLO C[C@H](O)CN(C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000361979817 387557844 /nfs/dbraw/zinc/55/78/44/387557844.db2.gz ZWNRVQLPUBDWJK-VHSXEESVSA-N 1 2 245.323 -0.661 20 0 BBADLO C[C@H](O)CN(C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000361979817 387557842 /nfs/dbraw/zinc/55/78/42/387557842.db2.gz ZWNRVQLPUBDWJK-VHSXEESVSA-N 1 2 245.323 -0.661 20 0 BBADLO C[C@@H](O)CN(C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000361979818 175963452 /nfs/dbraw/zinc/96/34/52/175963452.db2.gz ZWNRVQLPUBDWJK-ZJUUUORDSA-N 1 2 245.323 -0.661 20 0 BBADLO C[C@@H](O)CN(C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000361979818 175963450 /nfs/dbraw/zinc/96/34/50/175963450.db2.gz ZWNRVQLPUBDWJK-ZJUUUORDSA-N 1 2 245.323 -0.661 20 0 BBADLO COC[C@@H](O)C[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000362069697 387567914 /nfs/dbraw/zinc/56/79/14/387567914.db2.gz VBUVACJGTQEPGV-HRHDLCKOSA-N 1 2 235.349 -0.165 20 0 BBADLO COC[C@@H](O)C[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000362069697 387567911 /nfs/dbraw/zinc/56/79/11/387567911.db2.gz VBUVACJGTQEPGV-HRHDLCKOSA-N 1 2 235.349 -0.165 20 0 BBADLO COC[C@H](O)C[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000362069698 387562798 /nfs/dbraw/zinc/56/27/98/387562798.db2.gz VBUVACJGTQEPGV-LPEHRKFASA-N 1 2 235.349 -0.165 20 0 BBADLO COC[C@H](O)C[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000362069699 387562574 /nfs/dbraw/zinc/56/25/74/387562574.db2.gz VBUVACJGTQEPGV-OPRDCNLKSA-N 1 2 235.349 -0.165 20 0 BBADLO COC[C@H](O)C[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000362069700 387566807 /nfs/dbraw/zinc/56/68/07/387566807.db2.gz VBUVACJGTQEPGV-VGAUDOQQSA-N 1 2 235.349 -0.165 20 0 BBADLO COC[C@H](O)C[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000362069700 387566803 /nfs/dbraw/zinc/56/68/03/387566803.db2.gz VBUVACJGTQEPGV-VGAUDOQQSA-N 1 2 235.349 -0.165 20 0 BBADLO C[C@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)C[C@H]1CO ZINC000362072865 177270784 /nfs/dbraw/zinc/27/07/84/177270784.db2.gz RFZXVYJXVFZZBD-BQBZGAKWSA-N 1 2 212.253 -0.430 20 0 BBADLO C[C@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)C[C@H]1CO ZINC000362072865 177270783 /nfs/dbraw/zinc/27/07/83/177270783.db2.gz RFZXVYJXVFZZBD-BQBZGAKWSA-N 1 2 212.253 -0.430 20 0 BBADLO C[C@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)C[C@@H]1CO ZINC000362072866 177270945 /nfs/dbraw/zinc/27/09/45/177270945.db2.gz RFZXVYJXVFZZBD-NKWVEPMBSA-N 1 2 212.253 -0.430 20 0 BBADLO C[C@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)C[C@@H]1CO ZINC000362072866 177270943 /nfs/dbraw/zinc/27/09/43/177270943.db2.gz RFZXVYJXVFZZBD-NKWVEPMBSA-N 1 2 212.253 -0.430 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)C[C@@H]1CO ZINC000362072867 176311330 /nfs/dbraw/zinc/31/13/30/176311330.db2.gz RFZXVYJXVFZZBD-RNFRBKRXSA-N 1 2 212.253 -0.430 20 0 BBADLO C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)C[C@@H]1CO ZINC000362072867 176311329 /nfs/dbraw/zinc/31/13/29/176311329.db2.gz RFZXVYJXVFZZBD-RNFRBKRXSA-N 1 2 212.253 -0.430 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)C[C@H]1CO ZINC000362072868 176311464 /nfs/dbraw/zinc/31/14/64/176311464.db2.gz RFZXVYJXVFZZBD-RQJHMYQMSA-N 1 2 212.253 -0.430 20 0 BBADLO C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)C[C@H]1CO ZINC000362072868 176311463 /nfs/dbraw/zinc/31/14/63/176311463.db2.gz RFZXVYJXVFZZBD-RQJHMYQMSA-N 1 2 212.253 -0.430 20 0 BBADLO C[C@@H]1C[NH+](CCOCCO)C[C@@H](C)S1=O ZINC000362079388 176291898 /nfs/dbraw/zinc/29/18/98/176291898.db2.gz UIWOXYIIWMZYHD-NXEZZACHSA-N 1 2 235.349 -0.163 20 0 BBADLO C[C@@H]1C[N@H+](CCOCCO)C[C@H](C)[S@@]1=O ZINC000362079389 177253534 /nfs/dbraw/zinc/25/35/34/177253534.db2.gz UIWOXYIIWMZYHD-KEODLESXSA-N 1 2 235.349 -0.163 20 0 BBADLO C[C@@H]1C[N@@H+](CCOCCO)C[C@H](C)[S@@]1=O ZINC000362079389 177253532 /nfs/dbraw/zinc/25/35/32/177253532.db2.gz UIWOXYIIWMZYHD-KEODLESXSA-N 1 2 235.349 -0.163 20 0 BBADLO C[C@H]1C[NH+](CCOCCO)C[C@H](C)S1=O ZINC000362079390 177252540 /nfs/dbraw/zinc/25/25/40/177252540.db2.gz UIWOXYIIWMZYHD-UWVGGRQHSA-N 1 2 235.349 -0.163 20 0 BBADLO CC(C)(C)n1nnnc1C[NH2+]C1(C(N)=O)CC1 ZINC000362190349 188245638 /nfs/dbraw/zinc/24/56/38/188245638.db2.gz MATBRILAIUOIPG-UHFFFAOYSA-N 1 2 238.295 -0.464 20 0 BBADLO CC(C)NC(=O)C[N@@H+](C)[C@@H]1CCCNC1=O ZINC000362202599 167047548 /nfs/dbraw/zinc/04/75/48/167047548.db2.gz ZQVBHKGPRSKARI-SECBINFHSA-N 1 2 227.308 -0.279 20 0 BBADLO CC(C)NC(=O)C[N@H+](C)[C@@H]1CCCNC1=O ZINC000362202599 167047544 /nfs/dbraw/zinc/04/75/44/167047544.db2.gz ZQVBHKGPRSKARI-SECBINFHSA-N 1 2 227.308 -0.279 20 0 BBADLO CC(C)NC(=O)C[N@@H+](C)[C@H]1CCCNC1=O ZINC000362202600 167049002 /nfs/dbraw/zinc/04/90/02/167049002.db2.gz ZQVBHKGPRSKARI-VIFPVBQESA-N 1 2 227.308 -0.279 20 0 BBADLO CC(C)NC(=O)C[N@H+](C)[C@H]1CCCNC1=O ZINC000362202600 167048996 /nfs/dbraw/zinc/04/89/96/167048996.db2.gz ZQVBHKGPRSKARI-VIFPVBQESA-N 1 2 227.308 -0.279 20 0 BBADLO CC(=O)N1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000362214706 188071507 /nfs/dbraw/zinc/07/15/07/188071507.db2.gz RFKGHXWFQSRVES-JTQLQIEISA-N 1 2 225.292 -0.571 20 0 BBADLO CC(=O)N1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000362214723 187383818 /nfs/dbraw/zinc/38/38/18/187383818.db2.gz RFKGHXWFQSRVES-SNVBAGLBSA-N 1 2 225.292 -0.571 20 0 BBADLO C[C@@H]1CCOCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000362239807 176188518 /nfs/dbraw/zinc/18/85/18/176188518.db2.gz RJWPSFNQZXLOGN-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@@H]1CCOCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000362239807 176188517 /nfs/dbraw/zinc/18/85/17/176188517.db2.gz RJWPSFNQZXLOGN-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@@H]1CCOCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000362239808 176188038 /nfs/dbraw/zinc/18/80/38/176188038.db2.gz RJWPSFNQZXLOGN-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@@H]1CCOCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000362239808 176188036 /nfs/dbraw/zinc/18/80/36/176188036.db2.gz RJWPSFNQZXLOGN-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@H]1CCOCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000362239809 177176643 /nfs/dbraw/zinc/17/66/43/177176643.db2.gz RJWPSFNQZXLOGN-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@H]1CCOCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000362239809 177176642 /nfs/dbraw/zinc/17/66/42/177176642.db2.gz RJWPSFNQZXLOGN-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@H]1CCOCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000362239810 177176197 /nfs/dbraw/zinc/17/61/97/177176197.db2.gz RJWPSFNQZXLOGN-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@H]1CCOCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000362239810 177176196 /nfs/dbraw/zinc/17/61/96/177176196.db2.gz RJWPSFNQZXLOGN-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO CCN1CN(CC[NH+]2CCOCC2)CC1=O ZINC000362246008 170025975 /nfs/dbraw/zinc/02/59/75/170025975.db2.gz WRKAOWBFLKIGLG-UHFFFAOYSA-N 1 2 227.308 -0.560 20 0 BBADLO CCN(C)C(=O)C[N@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000362280168 387592295 /nfs/dbraw/zinc/59/22/95/387592295.db2.gz OBCOHUXZLCEPBU-GHMZBOCLSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000362280168 387592288 /nfs/dbraw/zinc/59/22/88/387592288.db2.gz OBCOHUXZLCEPBU-GHMZBOCLSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(C)C(=O)C[N@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000362280169 387592188 /nfs/dbraw/zinc/59/21/88/387592188.db2.gz OBCOHUXZLCEPBU-MNOVXSKESA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000362280169 387592182 /nfs/dbraw/zinc/59/21/82/387592182.db2.gz OBCOHUXZLCEPBU-MNOVXSKESA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(C)C(=O)C[N@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000362280171 387592827 /nfs/dbraw/zinc/59/28/27/387592827.db2.gz OBCOHUXZLCEPBU-QWRGUYRKSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000362280171 387592825 /nfs/dbraw/zinc/59/28/25/387592825.db2.gz OBCOHUXZLCEPBU-QWRGUYRKSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(C)C(=O)C[N@H+]1CCOC[C@H]1C[C@H](C)O ZINC000362280172 387592418 /nfs/dbraw/zinc/59/24/18/387592418.db2.gz OBCOHUXZLCEPBU-WDEREUQCSA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1CCOC[C@H]1C[C@H](C)O ZINC000362280172 387592412 /nfs/dbraw/zinc/59/24/12/387592412.db2.gz OBCOHUXZLCEPBU-WDEREUQCSA-N 1 2 244.335 -0.064 20 0 BBADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC000362352332 385295698 /nfs/dbraw/zinc/29/56/98/385295698.db2.gz HVXHHWDAQDFCJR-MRVPVSSYSA-N 1 2 239.279 -0.405 20 0 BBADLO COC(=O)[C@@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC000362352332 385295692 /nfs/dbraw/zinc/29/56/92/385295692.db2.gz HVXHHWDAQDFCJR-MRVPVSSYSA-N 1 2 239.279 -0.405 20 0 BBADLO COC(=O)[C@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC000362352333 385297020 /nfs/dbraw/zinc/29/70/20/385297020.db2.gz HVXHHWDAQDFCJR-QMMMGPOBSA-N 1 2 239.279 -0.405 20 0 BBADLO COC(=O)[C@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC000362352333 385297012 /nfs/dbraw/zinc/29/70/12/385297012.db2.gz HVXHHWDAQDFCJR-QMMMGPOBSA-N 1 2 239.279 -0.405 20 0 BBADLO C[C@H](CC(N)=O)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000362363406 385511268 /nfs/dbraw/zinc/51/12/68/385511268.db2.gz RFLBWUPZMCXZEF-BDAKNGLRSA-N 1 2 243.307 -0.913 20 0 BBADLO C[C@H](C(=O)N[C@@H](C)CC(N)=O)[NH+]1CCOCC1 ZINC000362363411 385512449 /nfs/dbraw/zinc/51/24/49/385512449.db2.gz RFLBWUPZMCXZEF-DTWKUNHWSA-N 1 2 243.307 -0.913 20 0 BBADLO C[C@@H](CC(N)=O)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000362363413 385511762 /nfs/dbraw/zinc/51/17/62/385511762.db2.gz RFLBWUPZMCXZEF-IUCAKERBSA-N 1 2 243.307 -0.913 20 0 BBADLO C[C@H](CC(N)=O)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000362363415 385511585 /nfs/dbraw/zinc/51/15/85/385511585.db2.gz RFLBWUPZMCXZEF-RKDXNWHRSA-N 1 2 243.307 -0.913 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)OC ZINC000362430208 170000454 /nfs/dbraw/zinc/00/04/54/170000454.db2.gz PYCRFDRRSXFAQW-MRVPVSSYSA-N 1 2 202.254 -0.273 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)OC ZINC000362430208 170000453 /nfs/dbraw/zinc/00/04/53/170000453.db2.gz PYCRFDRRSXFAQW-MRVPVSSYSA-N 1 2 202.254 -0.273 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)OC ZINC000362430210 170001798 /nfs/dbraw/zinc/00/17/98/170001798.db2.gz PYCRFDRRSXFAQW-QMMMGPOBSA-N 1 2 202.254 -0.273 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)OC ZINC000362430210 170001797 /nfs/dbraw/zinc/00/17/97/170001797.db2.gz PYCRFDRRSXFAQW-QMMMGPOBSA-N 1 2 202.254 -0.273 20 0 BBADLO O=C(CO)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000362432871 387612003 /nfs/dbraw/zinc/61/20/03/387612003.db2.gz MQKPIUBRQUVGNH-JTQLQIEISA-N 1 2 228.292 -0.698 20 0 BBADLO O=C(CO)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000362432872 387612049 /nfs/dbraw/zinc/61/20/49/387612049.db2.gz MQKPIUBRQUVGNH-SNVBAGLBSA-N 1 2 228.292 -0.698 20 0 BBADLO O=C(CO)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000362433964 387612283 /nfs/dbraw/zinc/61/22/83/387612283.db2.gz QPZGCJPYJRQNKP-LLVKDONJSA-N 1 2 242.319 -0.308 20 0 BBADLO O=C(CO)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000362433967 181985152 /nfs/dbraw/zinc/98/51/52/181985152.db2.gz QPZGCJPYJRQNKP-NSHDSACASA-N 1 2 242.319 -0.308 20 0 BBADLO CNC(=O)CC[N@@H+](C)Cc1nnc(C)[nH]1 ZINC000362478022 173250301 /nfs/dbraw/zinc/25/03/01/173250301.db2.gz ATYIUKPMJAIPQQ-UHFFFAOYSA-N 1 2 211.269 -0.319 20 0 BBADLO CNC(=O)CC[N@H+](C)Cc1nnc(C)[nH]1 ZINC000362478022 173250299 /nfs/dbraw/zinc/25/02/99/173250299.db2.gz ATYIUKPMJAIPQQ-UHFFFAOYSA-N 1 2 211.269 -0.319 20 0 BBADLO CC(C)[C@H](O)C(=O)N1CC[NH+](CCO)CC1 ZINC000362540759 387626171 /nfs/dbraw/zinc/62/61/71/387626171.db2.gz LXMYETGWRAGRBG-JTQLQIEISA-N 1 2 230.308 -0.860 20 0 BBADLO CC(C)[C@@H](O)C(=O)N1CC[NH+](CCO)CC1 ZINC000362540763 387626496 /nfs/dbraw/zinc/62/64/96/387626496.db2.gz LXMYETGWRAGRBG-SNVBAGLBSA-N 1 2 230.308 -0.860 20 0 BBADLO CN1C(=O)C[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1=O ZINC000362553557 387628567 /nfs/dbraw/zinc/62/85/67/387628567.db2.gz VUIWEDDJFYYAFG-HRDYMLBCSA-N 1 2 224.260 -0.393 20 0 BBADLO CN1C(=O)C[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)O3)C1=O ZINC000362553557 387628560 /nfs/dbraw/zinc/62/85/60/387628560.db2.gz VUIWEDDJFYYAFG-HRDYMLBCSA-N 1 2 224.260 -0.393 20 0 BBADLO CN1C(=O)C[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1=O ZINC000362553558 387627912 /nfs/dbraw/zinc/62/79/12/387627912.db2.gz VUIWEDDJFYYAFG-YIZRAAEISA-N 1 2 224.260 -0.393 20 0 BBADLO CN1C(=O)C[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)O3)C1=O ZINC000362553558 387627909 /nfs/dbraw/zinc/62/79/09/387627909.db2.gz VUIWEDDJFYYAFG-YIZRAAEISA-N 1 2 224.260 -0.393 20 0 BBADLO NC(=O)CCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000362602606 181224839 /nfs/dbraw/zinc/22/48/39/181224839.db2.gz QHLJHHKPUWTTJF-UHFFFAOYSA-N 1 2 246.270 -0.132 20 0 BBADLO C[C@@H]1CN(S(C)(=O)=O)[C@@H](C)C[N@H+]1CCO ZINC000362604726 177252629 /nfs/dbraw/zinc/25/26/29/177252629.db2.gz WNMAWMRHYROQQP-BDAKNGLRSA-N 1 2 236.337 -0.667 20 0 BBADLO C[C@@H]1CN(S(C)(=O)=O)[C@@H](C)C[N@@H+]1CCO ZINC000362604726 177252627 /nfs/dbraw/zinc/25/26/27/177252627.db2.gz WNMAWMRHYROQQP-BDAKNGLRSA-N 1 2 236.337 -0.667 20 0 BBADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(C)(=O)=O ZINC000362604727 177273953 /nfs/dbraw/zinc/27/39/53/177273953.db2.gz WNMAWMRHYROQQP-DTWKUNHWSA-N 1 2 236.337 -0.667 20 0 BBADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(C)(=O)=O ZINC000362604727 177273951 /nfs/dbraw/zinc/27/39/51/177273951.db2.gz WNMAWMRHYROQQP-DTWKUNHWSA-N 1 2 236.337 -0.667 20 0 BBADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(C)(=O)=O ZINC000362604728 177273491 /nfs/dbraw/zinc/27/34/91/177273491.db2.gz WNMAWMRHYROQQP-IUCAKERBSA-N 1 2 236.337 -0.667 20 0 BBADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(C)(=O)=O ZINC000362604728 177273490 /nfs/dbraw/zinc/27/34/90/177273490.db2.gz WNMAWMRHYROQQP-IUCAKERBSA-N 1 2 236.337 -0.667 20 0 BBADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(C)(=O)=O ZINC000362604729 176314598 /nfs/dbraw/zinc/31/45/98/176314598.db2.gz WNMAWMRHYROQQP-RKDXNWHRSA-N 1 2 236.337 -0.667 20 0 BBADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(C)(=O)=O ZINC000362604729 176314596 /nfs/dbraw/zinc/31/45/96/176314596.db2.gz WNMAWMRHYROQQP-RKDXNWHRSA-N 1 2 236.337 -0.667 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCC(=O)OC ZINC000362660331 170001635 /nfs/dbraw/zinc/00/16/35/170001635.db2.gz WSSMTUYETAFKEK-SECBINFHSA-N 1 2 244.291 -0.614 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCC(=O)OC ZINC000362660331 170001634 /nfs/dbraw/zinc/00/16/34/170001634.db2.gz WSSMTUYETAFKEK-SECBINFHSA-N 1 2 244.291 -0.614 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCC(=O)OC ZINC000362660332 170002245 /nfs/dbraw/zinc/00/22/45/170002245.db2.gz WSSMTUYETAFKEK-VIFPVBQESA-N 1 2 244.291 -0.614 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCC(=O)OC ZINC000362660332 170002244 /nfs/dbraw/zinc/00/22/44/170002244.db2.gz WSSMTUYETAFKEK-VIFPVBQESA-N 1 2 244.291 -0.614 20 0 BBADLO C[C@@H]1CCO[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000362750473 176193501 /nfs/dbraw/zinc/19/35/01/176193501.db2.gz RNWXXECHAHSNOA-OUAUKWLOSA-N 1 2 242.319 -0.142 20 0 BBADLO C[C@@H]1CCO[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000362750473 176193500 /nfs/dbraw/zinc/19/35/00/176193500.db2.gz RNWXXECHAHSNOA-OUAUKWLOSA-N 1 2 242.319 -0.142 20 0 BBADLO C[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000362750474 176191368 /nfs/dbraw/zinc/19/13/68/176191368.db2.gz RNWXXECHAHSNOA-VWYCJHECSA-N 1 2 242.319 -0.142 20 0 BBADLO C[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000362750474 176191365 /nfs/dbraw/zinc/19/13/65/176191365.db2.gz RNWXXECHAHSNOA-VWYCJHECSA-N 1 2 242.319 -0.142 20 0 BBADLO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCc2[nH]nnc2C1 ZINC000362862137 176270801 /nfs/dbraw/zinc/27/08/01/176270801.db2.gz HWDNKQATIVHIEJ-BDAKNGLRSA-N 1 2 249.318 -0.113 20 0 BBADLO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCc2[nH]nnc2C1 ZINC000362862137 176270799 /nfs/dbraw/zinc/27/07/99/176270799.db2.gz HWDNKQATIVHIEJ-BDAKNGLRSA-N 1 2 249.318 -0.113 20 0 BBADLO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCc2[nH]nnc2C1 ZINC000362862139 177237608 /nfs/dbraw/zinc/23/76/08/177237608.db2.gz HWDNKQATIVHIEJ-DTWKUNHWSA-N 1 2 249.318 -0.113 20 0 BBADLO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCc2[nH]nnc2C1 ZINC000362862139 177237606 /nfs/dbraw/zinc/23/76/06/177237606.db2.gz HWDNKQATIVHIEJ-DTWKUNHWSA-N 1 2 249.318 -0.113 20 0 BBADLO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCc2[nH]nnc2C1 ZINC000362862141 177233822 /nfs/dbraw/zinc/23/38/22/177233822.db2.gz HWDNKQATIVHIEJ-IUCAKERBSA-N 1 2 249.318 -0.113 20 0 BBADLO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCc2[nH]nnc2C1 ZINC000362862141 177233821 /nfs/dbraw/zinc/23/38/21/177233821.db2.gz HWDNKQATIVHIEJ-IUCAKERBSA-N 1 2 249.318 -0.113 20 0 BBADLO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCc2[nH]nnc2C1 ZINC000362862151 176276309 /nfs/dbraw/zinc/27/63/09/176276309.db2.gz HWDNKQATIVHIEJ-RKDXNWHRSA-N 1 2 249.318 -0.113 20 0 BBADLO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCc2[nH]nnc2C1 ZINC000362862151 176276308 /nfs/dbraw/zinc/27/63/08/176276308.db2.gz HWDNKQATIVHIEJ-RKDXNWHRSA-N 1 2 249.318 -0.113 20 0 BBADLO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000362875219 177235622 /nfs/dbraw/zinc/23/56/22/177235622.db2.gz LDXSJCFJGNDQNC-BQBZGAKWSA-N 1 2 239.279 -0.676 20 0 BBADLO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000362875219 177235619 /nfs/dbraw/zinc/23/56/19/177235619.db2.gz LDXSJCFJGNDQNC-BQBZGAKWSA-N 1 2 239.279 -0.676 20 0 BBADLO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000362875222 177237163 /nfs/dbraw/zinc/23/71/63/177237163.db2.gz LDXSJCFJGNDQNC-NKWVEPMBSA-N 1 2 239.279 -0.676 20 0 BBADLO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000362875222 177237162 /nfs/dbraw/zinc/23/71/62/177237162.db2.gz LDXSJCFJGNDQNC-NKWVEPMBSA-N 1 2 239.279 -0.676 20 0 BBADLO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000362875224 176276104 /nfs/dbraw/zinc/27/61/04/176276104.db2.gz LDXSJCFJGNDQNC-RNFRBKRXSA-N 1 2 239.279 -0.676 20 0 BBADLO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000362875224 176276103 /nfs/dbraw/zinc/27/61/03/176276103.db2.gz LDXSJCFJGNDQNC-RNFRBKRXSA-N 1 2 239.279 -0.676 20 0 BBADLO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000362875226 176272085 /nfs/dbraw/zinc/27/20/85/176272085.db2.gz LDXSJCFJGNDQNC-RQJHMYQMSA-N 1 2 239.279 -0.676 20 0 BBADLO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000362875226 176272083 /nfs/dbraw/zinc/27/20/83/176272083.db2.gz LDXSJCFJGNDQNC-RQJHMYQMSA-N 1 2 239.279 -0.676 20 0 BBADLO C[N@H+]1CCO[C@@H](CNS(=O)(=O)CC2CC2)C1 ZINC000362877693 173102801 /nfs/dbraw/zinc/10/28/01/173102801.db2.gz DVJQBQXDDMJUKP-JTQLQIEISA-N 1 2 248.348 -0.354 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)CC2CC2)C1 ZINC000362877693 173102799 /nfs/dbraw/zinc/10/27/99/173102799.db2.gz DVJQBQXDDMJUKP-JTQLQIEISA-N 1 2 248.348 -0.354 20 0 BBADLO C[N@H+]1CCO[C@H](CNS(=O)(=O)CC2CC2)C1 ZINC000362877697 173107852 /nfs/dbraw/zinc/10/78/52/173107852.db2.gz DVJQBQXDDMJUKP-SNVBAGLBSA-N 1 2 248.348 -0.354 20 0 BBADLO C[N@@H+]1CCO[C@H](CNS(=O)(=O)CC2CC2)C1 ZINC000362877697 173107849 /nfs/dbraw/zinc/10/78/49/173107849.db2.gz DVJQBQXDDMJUKP-SNVBAGLBSA-N 1 2 248.348 -0.354 20 0 BBADLO C[N@@H+](CCO)Cc1ncnn1CC(F)F ZINC000362955881 387679791 /nfs/dbraw/zinc/67/97/91/387679791.db2.gz UMTSXOTYKZLBLW-UHFFFAOYSA-N 1 2 220.223 -0.033 20 0 BBADLO C[N@H+](CCO)Cc1ncnn1CC(F)F ZINC000362955881 387679789 /nfs/dbraw/zinc/67/97/89/387679789.db2.gz UMTSXOTYKZLBLW-UHFFFAOYSA-N 1 2 220.223 -0.033 20 0 BBADLO NC(=O)NC(=O)C[N@H+]1CCOCC12CCCC2 ZINC000363148610 181253944 /nfs/dbraw/zinc/25/39/44/181253944.db2.gz NVRWKAWHTROHGU-UHFFFAOYSA-N 1 2 241.291 -0.174 20 0 BBADLO NC(=O)NC(=O)C[N@@H+]1CCOCC12CCCC2 ZINC000363148610 181253943 /nfs/dbraw/zinc/25/39/43/181253943.db2.gz NVRWKAWHTROHGU-UHFFFAOYSA-N 1 2 241.291 -0.174 20 0 BBADLO CCOC(=O)CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000363196967 170195790 /nfs/dbraw/zinc/19/57/90/170195790.db2.gz YTNNUFBKMVXTGN-SECBINFHSA-N 1 2 244.291 -0.614 20 0 BBADLO CCOC(=O)CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000363196967 170195789 /nfs/dbraw/zinc/19/57/89/170195789.db2.gz YTNNUFBKMVXTGN-SECBINFHSA-N 1 2 244.291 -0.614 20 0 BBADLO CCOC(=O)CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000363196968 170195584 /nfs/dbraw/zinc/19/55/84/170195584.db2.gz YTNNUFBKMVXTGN-VIFPVBQESA-N 1 2 244.291 -0.614 20 0 BBADLO CCOC(=O)CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000363196968 170195582 /nfs/dbraw/zinc/19/55/82/170195582.db2.gz YTNNUFBKMVXTGN-VIFPVBQESA-N 1 2 244.291 -0.614 20 0 BBADLO CCN(C)C(=O)C[N@H+]1CCO[C@H](COC)C1 ZINC000363254535 387699732 /nfs/dbraw/zinc/69/97/32/387699732.db2.gz HSIXGFCYXUFGEQ-JTQLQIEISA-N 1 2 230.308 -0.188 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1CCO[C@H](COC)C1 ZINC000363254535 387699724 /nfs/dbraw/zinc/69/97/24/387699724.db2.gz HSIXGFCYXUFGEQ-JTQLQIEISA-N 1 2 230.308 -0.188 20 0 BBADLO CCN(C)C(=O)C[N@H+]1CCO[C@@H](COC)C1 ZINC000363254536 387697905 /nfs/dbraw/zinc/69/79/05/387697905.db2.gz HSIXGFCYXUFGEQ-SNVBAGLBSA-N 1 2 230.308 -0.188 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1CCO[C@@H](COC)C1 ZINC000363254536 387697898 /nfs/dbraw/zinc/69/78/98/387697898.db2.gz HSIXGFCYXUFGEQ-SNVBAGLBSA-N 1 2 230.308 -0.188 20 0 BBADLO COC[C@@H]1C[N@@H+](CC(=O)N2CCC2)CCO1 ZINC000363255110 387698263 /nfs/dbraw/zinc/69/82/63/387698263.db2.gz QYSYCKPLJCIFHC-JTQLQIEISA-N 1 2 228.292 -0.434 20 0 BBADLO COC[C@@H]1C[N@H+](CC(=O)N2CCC2)CCO1 ZINC000363255110 387698256 /nfs/dbraw/zinc/69/82/56/387698256.db2.gz QYSYCKPLJCIFHC-JTQLQIEISA-N 1 2 228.292 -0.434 20 0 BBADLO COC[C@H]1C[N@@H+](CC(=O)N2CCC2)CCO1 ZINC000363255111 387698193 /nfs/dbraw/zinc/69/81/93/387698193.db2.gz QYSYCKPLJCIFHC-SNVBAGLBSA-N 1 2 228.292 -0.434 20 0 BBADLO COC[C@H]1C[N@H+](CC(=O)N2CCC2)CCO1 ZINC000363255111 387698188 /nfs/dbraw/zinc/69/81/88/387698188.db2.gz QYSYCKPLJCIFHC-SNVBAGLBSA-N 1 2 228.292 -0.434 20 0 BBADLO CC[N@H+]1CCO[C@@H](C(=O)Nc2nnc(C)[nH]2)C1 ZINC000363303540 170005378 /nfs/dbraw/zinc/00/53/78/170005378.db2.gz RCXDLNRQXUAQQX-MRVPVSSYSA-N 1 2 239.279 -0.228 20 0 BBADLO CC[N@@H+]1CCO[C@@H](C(=O)Nc2nnc(C)[nH]2)C1 ZINC000363303540 170005376 /nfs/dbraw/zinc/00/53/76/170005376.db2.gz RCXDLNRQXUAQQX-MRVPVSSYSA-N 1 2 239.279 -0.228 20 0 BBADLO CC[N@H+]1CCO[C@@H](C(=O)Nc2n[nH]c(C)n2)C1 ZINC000363303540 170005375 /nfs/dbraw/zinc/00/53/75/170005375.db2.gz RCXDLNRQXUAQQX-MRVPVSSYSA-N 1 2 239.279 -0.228 20 0 BBADLO CC[N@@H+]1CCO[C@@H](C(=O)Nc2n[nH]c(C)n2)C1 ZINC000363303540 170005374 /nfs/dbraw/zinc/00/53/74/170005374.db2.gz RCXDLNRQXUAQQX-MRVPVSSYSA-N 1 2 239.279 -0.228 20 0 BBADLO CC[N@H+]1CCO[C@H](C(=O)Nc2nnc(C)[nH]2)C1 ZINC000363303541 170006887 /nfs/dbraw/zinc/00/68/87/170006887.db2.gz RCXDLNRQXUAQQX-QMMMGPOBSA-N 1 2 239.279 -0.228 20 0 BBADLO CC[N@@H+]1CCO[C@H](C(=O)Nc2nnc(C)[nH]2)C1 ZINC000363303541 170006886 /nfs/dbraw/zinc/00/68/86/170006886.db2.gz RCXDLNRQXUAQQX-QMMMGPOBSA-N 1 2 239.279 -0.228 20 0 BBADLO CC[N@H+]1CCO[C@H](C(=O)Nc2n[nH]c(C)n2)C1 ZINC000363303541 170006885 /nfs/dbraw/zinc/00/68/85/170006885.db2.gz RCXDLNRQXUAQQX-QMMMGPOBSA-N 1 2 239.279 -0.228 20 0 BBADLO CC[N@@H+]1CCO[C@H](C(=O)Nc2n[nH]c(C)n2)C1 ZINC000363303541 170006884 /nfs/dbraw/zinc/00/68/84/170006884.db2.gz RCXDLNRQXUAQQX-QMMMGPOBSA-N 1 2 239.279 -0.228 20 0 BBADLO CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000363345391 170075933 /nfs/dbraw/zinc/07/59/33/170075933.db2.gz QDOFJOORWZSXTO-DTORHVGOSA-N 1 2 241.291 -0.305 20 0 BBADLO CCNC(=O)NC(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000363345391 170075932 /nfs/dbraw/zinc/07/59/32/170075932.db2.gz QDOFJOORWZSXTO-DTORHVGOSA-N 1 2 241.291 -0.305 20 0 BBADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000363345625 173287950 /nfs/dbraw/zinc/28/79/50/173287950.db2.gz NUYDQHSPFAYXDH-HLTSFMKQSA-N 1 2 241.291 -0.306 20 0 BBADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000363345625 173287949 /nfs/dbraw/zinc/28/79/49/173287949.db2.gz NUYDQHSPFAYXDH-HLTSFMKQSA-N 1 2 241.291 -0.306 20 0 BBADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000363345626 173288026 /nfs/dbraw/zinc/28/80/26/173288026.db2.gz NUYDQHSPFAYXDH-XHNCKOQMSA-N 1 2 241.291 -0.306 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DMEOUCXCCHVKSI-WCBMZHEXSA-N 1 2 226.276 -0.288 20 0 BBADLO CN(C)C(=O)C[N@@H+]1CC[C@H]2CCOC(=O)[C@@H]21 ZINC000363441148 172365092 /nfs/dbraw/zinc/36/50/92/172365092.db2.gz DMEOUCXCCHVKSI-WCBMZHEXSA-N 1 2 226.276 -0.288 20 0 BBADLO CN(C)C(=O)C[N@H+]1CC[C@H]2CCOC(=O)[C@H]21 ZINC000363441149 172365729 /nfs/dbraw/zinc/36/57/29/172365729.db2.gz DMEOUCXCCHVKSI-WPRPVWTQSA-N 1 2 226.276 -0.288 20 0 BBADLO CN(C)C(=O)C[N@@H+]1CC[C@H]2CCOC(=O)[C@H]21 ZINC000363441149 172365727 /nfs/dbraw/zinc/36/57/27/172365727.db2.gz DMEOUCXCCHVKSI-WPRPVWTQSA-N 1 2 226.276 -0.288 20 0 BBADLO CS(=O)(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363473138 384610077 /nfs/dbraw/zinc/61/00/77/384610077.db2.gz YODGQSMRYMFLOU-SECBINFHSA-N 1 2 234.321 -0.648 20 0 BBADLO CS(=O)(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363473139 384609838 /nfs/dbraw/zinc/60/98/38/384609838.db2.gz YODGQSMRYMFLOU-VIFPVBQESA-N 1 2 234.321 -0.648 20 0 BBADLO CC(C)CNC(=O)C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000363486704 344846785 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/nfs/dbraw/zinc/75/99/74/384759974.db2.gz HBCCELSUGSVRGI-VIFPVBQESA-N 1 2 241.291 -0.351 20 0 BBADLO COC(=O)C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000363638138 384759969 /nfs/dbraw/zinc/75/99/69/384759969.db2.gz HBCCELSUGSVRGI-VIFPVBQESA-N 1 2 241.291 -0.351 20 0 BBADLO CO[C@H](C)C[N@H+]1CCn2c(nn(C)c2=O)C1 ZINC000363699789 384708634 /nfs/dbraw/zinc/70/86/34/384708634.db2.gz LTWOYPDQIHIJKP-MRVPVSSYSA-N 1 2 226.280 -0.568 20 0 BBADLO CO[C@H](C)C[N@@H+]1CCn2c(nn(C)c2=O)C1 ZINC000363699789 384708626 /nfs/dbraw/zinc/70/86/26/384708626.db2.gz LTWOYPDQIHIJKP-MRVPVSSYSA-N 1 2 226.280 -0.568 20 0 BBADLO CO[C@@H](C)C[N@H+]1CCn2c(nn(C)c2=O)C1 ZINC000363699790 384708691 /nfs/dbraw/zinc/70/86/91/384708691.db2.gz LTWOYPDQIHIJKP-QMMMGPOBSA-N 1 2 226.280 -0.568 20 0 BBADLO CO[C@@H](C)C[N@@H+]1CCn2c(nn(C)c2=O)C1 ZINC000363699790 384708682 /nfs/dbraw/zinc/70/86/82/384708682.db2.gz LTWOYPDQIHIJKP-QMMMGPOBSA-N 1 2 226.280 -0.568 20 0 BBADLO CCNS(=O)(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000363711136 170134998 /nfs/dbraw/zinc/13/49/98/170134998.db2.gz MVUSPXYLENUBNN-UHFFFAOYSA-N 1 2 244.320 -0.139 20 0 BBADLO CC(=O)NCC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000363718207 384732753 /nfs/dbraw/zinc/73/27/53/384732753.db2.gz JPKQOBBEZSHZNP-UHFFFAOYSA-N 1 2 236.275 -0.330 20 0 BBADLO NC(=O)NC(=O)C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000363768183 181254354 /nfs/dbraw/zinc/25/43/54/181254354.db2.gz MSOHIQZZIRSDFS-MRVPVSSYSA-N 1 2 227.264 -0.708 20 0 BBADLO NC(=O)NC(=O)C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000363768183 181254351 /nfs/dbraw/zinc/25/43/51/181254351.db2.gz MSOHIQZZIRSDFS-MRVPVSSYSA-N 1 2 227.264 -0.708 20 0 BBADLO NC(=O)NC(=O)C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000363768185 181254986 /nfs/dbraw/zinc/25/49/86/181254986.db2.gz MSOHIQZZIRSDFS-QMMMGPOBSA-N 1 2 227.264 -0.708 20 0 BBADLO NC(=O)NC(=O)C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000363768185 181254985 /nfs/dbraw/zinc/25/49/85/181254985.db2.gz MSOHIQZZIRSDFS-QMMMGPOBSA-N 1 2 227.264 -0.708 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000363780463 386432960 /nfs/dbraw/zinc/43/29/60/386432960.db2.gz OJZOWXRFTTYIEX-APPZFPTMSA-N 1 2 241.291 -0.319 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000363780463 386432951 /nfs/dbraw/zinc/43/29/51/386432951.db2.gz OJZOWXRFTTYIEX-APPZFPTMSA-N 1 2 241.291 -0.319 20 0 BBADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000363780465 386434552 /nfs/dbraw/zinc/43/45/52/386434552.db2.gz OJZOWXRFTTYIEX-CBAPKCEASA-N 1 2 241.291 -0.319 20 0 BBADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000363780465 386434547 /nfs/dbraw/zinc/43/45/47/386434547.db2.gz OJZOWXRFTTYIEX-CBAPKCEASA-N 1 2 241.291 -0.319 20 0 BBADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000363780467 386434729 /nfs/dbraw/zinc/43/47/29/386434729.db2.gz OJZOWXRFTTYIEX-IONNQARKSA-N 1 2 241.291 -0.319 20 0 BBADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000363780467 386434726 /nfs/dbraw/zinc/43/47/26/386434726.db2.gz OJZOWXRFTTYIEX-IONNQARKSA-N 1 2 241.291 -0.319 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000363780468 386433456 /nfs/dbraw/zinc/43/34/56/386433456.db2.gz OJZOWXRFTTYIEX-VXNVDRBHSA-N 1 2 241.291 -0.319 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000363780468 386433449 /nfs/dbraw/zinc/43/34/49/386433449.db2.gz OJZOWXRFTTYIEX-VXNVDRBHSA-N 1 2 241.291 -0.319 20 0 BBADLO CS(=O)(=O)NCC[N@H+]1CCO[C@H](C2CC2)C1 ZINC000363780919 384833921 /nfs/dbraw/zinc/83/39/21/384833921.db2.gz POVGBOOBCARTPW-JTQLQIEISA-N 1 2 248.348 -0.354 20 0 BBADLO CS(=O)(=O)NCC[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000363780919 384833917 /nfs/dbraw/zinc/83/39/17/384833917.db2.gz POVGBOOBCARTPW-JTQLQIEISA-N 1 2 248.348 -0.354 20 0 BBADLO CS(=O)(=O)NCC[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000363780925 384835691 /nfs/dbraw/zinc/83/56/91/384835691.db2.gz POVGBOOBCARTPW-SNVBAGLBSA-N 1 2 248.348 -0.354 20 0 BBADLO CS(=O)(=O)NCC[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000363780925 384835687 /nfs/dbraw/zinc/83/56/87/384835687.db2.gz POVGBOOBCARTPW-SNVBAGLBSA-N 1 2 248.348 -0.354 20 0 BBADLO CNC(=O)NC(=O)C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000363785213 173287248 /nfs/dbraw/zinc/28/72/48/173287248.db2.gz XRELHCOGKOLTTK-SECBINFHSA-N 1 2 241.291 -0.447 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000363785213 173287247 /nfs/dbraw/zinc/28/72/47/173287247.db2.gz XRELHCOGKOLTTK-SECBINFHSA-N 1 2 241.291 -0.447 20 0 BBADLO CNC(=O)NC(=O)C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000363785222 173287027 /nfs/dbraw/zinc/28/70/27/173287027.db2.gz XRELHCOGKOLTTK-VIFPVBQESA-N 1 2 241.291 -0.447 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000363785222 173287026 /nfs/dbraw/zinc/28/70/26/173287026.db2.gz XRELHCOGKOLTTK-VIFPVBQESA-N 1 2 241.291 -0.447 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000363818088 385674481 /nfs/dbraw/zinc/67/44/81/385674481.db2.gz LJYUIXBQIGPGDI-BDAKNGLRSA-N 1 2 241.291 -0.401 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000363818088 385674479 /nfs/dbraw/zinc/67/44/79/385674479.db2.gz LJYUIXBQIGPGDI-BDAKNGLRSA-N 1 2 241.291 -0.401 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000363818102 385673678 /nfs/dbraw/zinc/67/36/78/385673678.db2.gz LJYUIXBQIGPGDI-DTWKUNHWSA-N 1 2 241.291 -0.401 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000363818102 385673675 /nfs/dbraw/zinc/67/36/75/385673675.db2.gz LJYUIXBQIGPGDI-DTWKUNHWSA-N 1 2 241.291 -0.401 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000363818105 385674716 /nfs/dbraw/zinc/67/47/16/385674716.db2.gz LJYUIXBQIGPGDI-IUCAKERBSA-N 1 2 241.291 -0.401 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000363818105 385674711 /nfs/dbraw/zinc/67/47/11/385674711.db2.gz LJYUIXBQIGPGDI-IUCAKERBSA-N 1 2 241.291 -0.401 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000363818108 385674129 /nfs/dbraw/zinc/67/41/29/385674129.db2.gz LJYUIXBQIGPGDI-RKDXNWHRSA-N 1 2 241.291 -0.401 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000363818108 385674126 /nfs/dbraw/zinc/67/41/26/385674126.db2.gz LJYUIXBQIGPGDI-RKDXNWHRSA-N 1 2 241.291 -0.401 20 0 BBADLO O=C(C[N@H+]1CCN2C(=O)OC[C@H]2C1)N1CCC1 ZINC000363834366 385714044 /nfs/dbraw/zinc/71/40/44/385714044.db2.gz VAUFRUXDXIYSGV-SECBINFHSA-N 1 2 239.275 -0.645 20 0 BBADLO O=C(C[N@@H+]1CCN2C(=O)OC[C@H]2C1)N1CCC1 ZINC000363834366 385714039 /nfs/dbraw/zinc/71/40/39/385714039.db2.gz VAUFRUXDXIYSGV-SECBINFHSA-N 1 2 239.275 -0.645 20 0 BBADLO O=C(C[N@H+]1CCN2C(=O)OC[C@@H]2C1)N1CCC1 ZINC000363834386 385714127 /nfs/dbraw/zinc/71/41/27/385714127.db2.gz VAUFRUXDXIYSGV-VIFPVBQESA-N 1 2 239.275 -0.645 20 0 BBADLO O=C(C[N@@H+]1CCN2C(=O)OC[C@@H]2C1)N1CCC1 ZINC000363834386 385714125 /nfs/dbraw/zinc/71/41/25/385714125.db2.gz VAUFRUXDXIYSGV-VIFPVBQESA-N 1 2 239.275 -0.645 20 0 BBADLO COC(=O)[C@@]1(C)CC[N@@H+](Cc2nnnn2C)C1 ZINC000363904597 384611610 /nfs/dbraw/zinc/61/16/10/384611610.db2.gz UKTAGDLKRQBDFH-JTQLQIEISA-N 1 2 239.279 -0.405 20 0 BBADLO COC(=O)[C@@]1(C)CC[N@H+](Cc2nnnn2C)C1 ZINC000363904597 384611602 /nfs/dbraw/zinc/61/16/02/384611602.db2.gz UKTAGDLKRQBDFH-JTQLQIEISA-N 1 2 239.279 -0.405 20 0 BBADLO COC(=O)[C@]1(C)CC[N@@H+](Cc2nnnn2C)C1 ZINC000363904598 384612870 /nfs/dbraw/zinc/61/28/70/384612870.db2.gz UKTAGDLKRQBDFH-SNVBAGLBSA-N 1 2 239.279 -0.405 20 0 BBADLO COC(=O)[C@]1(C)CC[N@H+](Cc2nnnn2C)C1 ZINC000363904598 384612862 /nfs/dbraw/zinc/61/28/62/384612862.db2.gz UKTAGDLKRQBDFH-SNVBAGLBSA-N 1 2 239.279 -0.405 20 0 BBADLO CO[C@H](C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363944180 384694245 /nfs/dbraw/zinc/69/42/45/384694245.db2.gz ZIVFYRWINIXUPK-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO CO[C@H](C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363944288 384696115 /nfs/dbraw/zinc/69/61/15/384696115.db2.gz ZIVFYRWINIXUPK-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO CO[C@@H](C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363944289 384694410 /nfs/dbraw/zinc/69/44/10/384694410.db2.gz ZIVFYRWINIXUPK-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO CO[C@@H](C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363944291 384694896 /nfs/dbraw/zinc/69/48/96/384694896.db2.gz ZIVFYRWINIXUPK-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@H]1OCC[C@@]12C[N@@H+](CC(N)=O)C[C@@H](C)O2 ZINC000363953063 176284735 /nfs/dbraw/zinc/28/47/35/176284735.db2.gz KDTODVXZTSXJTR-FXPVBKGRSA-N 1 2 228.292 -0.260 20 0 BBADLO C[C@H]1OCC[C@@]12C[N@H+](CC(N)=O)C[C@@H](C)O2 ZINC000363953063 176284733 /nfs/dbraw/zinc/28/47/33/176284733.db2.gz KDTODVXZTSXJTR-FXPVBKGRSA-N 1 2 228.292 -0.260 20 0 BBADLO C[C@H]1OCC[C@]12C[N@@H+](CC(N)=O)C[C@@H](C)O2 ZINC000363953065 176285340 /nfs/dbraw/zinc/28/53/40/176285340.db2.gz KDTODVXZTSXJTR-KKZNHRDASA-N 1 2 228.292 -0.260 20 0 BBADLO C[C@H]1OCC[C@]12C[N@H+](CC(N)=O)C[C@@H](C)O2 ZINC000363953065 176285339 /nfs/dbraw/zinc/28/53/39/176285339.db2.gz KDTODVXZTSXJTR-KKZNHRDASA-N 1 2 228.292 -0.260 20 0 BBADLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(N)=O)C[C@@H](C)O2 ZINC000363953066 384710798 /nfs/dbraw/zinc/71/07/98/384710798.db2.gz KDTODVXZTSXJTR-WCABBAIRSA-N 1 2 228.292 -0.260 20 0 BBADLO C[C@@H]1OCC[C@@]12C[N@H+](CC(N)=O)C[C@@H](C)O2 ZINC000363953066 384710786 /nfs/dbraw/zinc/71/07/86/384710786.db2.gz KDTODVXZTSXJTR-WCABBAIRSA-N 1 2 228.292 -0.260 20 0 BBADLO C[C@@H]1OCC[C@]12C[N@@H+](CC(N)=O)C[C@@H](C)O2 ZINC000363953068 384710970 /nfs/dbraw/zinc/71/09/70/384710970.db2.gz KDTODVXZTSXJTR-YWVKMMECSA-N 1 2 228.292 -0.260 20 0 BBADLO C[C@@H]1OCC[C@]12C[N@H+](CC(N)=O)C[C@@H](C)O2 ZINC000363953068 384710964 /nfs/dbraw/zinc/71/09/64/384710964.db2.gz KDTODVXZTSXJTR-YWVKMMECSA-N 1 2 228.292 -0.260 20 0 BBADLO CC(C)N(CC(N)=O)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000364027193 188000025 /nfs/dbraw/zinc/00/00/25/188000025.db2.gz DFGUWXYVNUHSGE-SSDOTTSWSA-N 1 2 249.261 -0.294 20 0 BBADLO CC(C)N(CC(N)=O)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000364027194 188000537 /nfs/dbraw/zinc/00/05/37/188000537.db2.gz DFGUWXYVNUHSGE-ZETCQYMHSA-N 1 2 249.261 -0.294 20 0 BBADLO CC(=O)NCCCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000364045171 384905998 /nfs/dbraw/zinc/90/59/98/384905998.db2.gz KZQZMCRUCOFJRZ-MRVPVSSYSA-N 1 2 249.261 -0.374 20 0 BBADLO CC(=O)NCCCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000364045178 384906416 /nfs/dbraw/zinc/90/64/16/384906416.db2.gz KZQZMCRUCOFJRZ-QMMMGPOBSA-N 1 2 249.261 -0.374 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2nnnn2C)CCCO1 ZINC000364159057 176313616 /nfs/dbraw/zinc/31/36/16/176313616.db2.gz IPNIGOGKBCAABO-MRVPVSSYSA-N 1 2 211.269 -0.179 20 0 BBADLO C[C@@H]1C[N@H+](Cc2nnnn2C)CCCO1 ZINC000364159057 176313615 /nfs/dbraw/zinc/31/36/15/176313615.db2.gz IPNIGOGKBCAABO-MRVPVSSYSA-N 1 2 211.269 -0.179 20 0 BBADLO C[C@H]1C[N@@H+](Cc2nnnn2C)CCCO1 ZINC000364159058 177272152 /nfs/dbraw/zinc/27/21/52/177272152.db2.gz IPNIGOGKBCAABO-QMMMGPOBSA-N 1 2 211.269 -0.179 20 0 BBADLO C[C@H]1C[N@H+](Cc2nnnn2C)CCCO1 ZINC000364159058 177272151 /nfs/dbraw/zinc/27/21/51/177272151.db2.gz IPNIGOGKBCAABO-QMMMGPOBSA-N 1 2 211.269 -0.179 20 0 BBADLO CCOC(=O)[C@@H](C)[N@H+]1C[C@H](O)C[C@H]1CO ZINC000364204662 188349981 /nfs/dbraw/zinc/34/99/81/188349981.db2.gz ZYKJKQKEYFOJOE-HRDYMLBCSA-N 1 2 217.265 -0.635 20 0 BBADLO CCOC(=O)[C@@H](C)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000364204662 188349979 /nfs/dbraw/zinc/34/99/79/188349979.db2.gz ZYKJKQKEYFOJOE-HRDYMLBCSA-N 1 2 217.265 -0.635 20 0 BBADLO CS(=O)(=O)CC[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364316796 385347113 /nfs/dbraw/zinc/34/71/13/385347113.db2.gz MRNKZFKLXVBXBX-MRVPVSSYSA-N 1 2 219.306 -0.512 20 0 BBADLO CS(=O)(=O)CC[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364316796 385347108 /nfs/dbraw/zinc/34/71/08/385347108.db2.gz MRNKZFKLXVBXBX-MRVPVSSYSA-N 1 2 219.306 -0.512 20 0 BBADLO CS(=O)(=O)CC[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000364316797 385347324 /nfs/dbraw/zinc/34/73/24/385347324.db2.gz MRNKZFKLXVBXBX-QMMMGPOBSA-N 1 2 219.306 -0.512 20 0 BBADLO CS(=O)(=O)CC[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000364316797 385347321 /nfs/dbraw/zinc/34/73/21/385347321.db2.gz MRNKZFKLXVBXBX-QMMMGPOBSA-N 1 2 219.306 -0.512 20 0 BBADLO NS(=O)(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000364321864 387875742 /nfs/dbraw/zinc/87/57/42/387875742.db2.gz SETFQCURXPEILE-UHFFFAOYSA-N 1 2 230.293 -0.207 20 0 BBADLO NS(=O)(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364321864 387875737 /nfs/dbraw/zinc/87/57/37/387875737.db2.gz SETFQCURXPEILE-UHFFFAOYSA-N 1 2 230.293 -0.207 20 0 BBADLO O=C(C[N@H+]1CC[C@H]2CCOC(=O)[C@@H]21)N1CCC1 ZINC000364339935 385368089 /nfs/dbraw/zinc/36/80/89/385368089.db2.gz FHVCISORLBMBMS-GXSJLCMTSA-N 1 2 238.287 -0.144 20 0 BBADLO O=C(C[N@@H+]1CC[C@H]2CCOC(=O)[C@@H]21)N1CCC1 ZINC000364339935 385368087 /nfs/dbraw/zinc/36/80/87/385368087.db2.gz FHVCISORLBMBMS-GXSJLCMTSA-N 1 2 238.287 -0.144 20 0 BBADLO O=C(C[N@H+]1CC[C@@H]2CCOC(=O)[C@H]21)N1CCC1 ZINC000364339938 385367571 /nfs/dbraw/zinc/36/75/71/385367571.db2.gz FHVCISORLBMBMS-KOLCDFICSA-N 1 2 238.287 -0.144 20 0 BBADLO O=C(C[N@@H+]1CC[C@@H]2CCOC(=O)[C@H]21)N1CCC1 ZINC000364339938 385367565 /nfs/dbraw/zinc/36/75/65/385367565.db2.gz FHVCISORLBMBMS-KOLCDFICSA-N 1 2 238.287 -0.144 20 0 BBADLO O=C(C[N@H+]1CC[C@@H]2CCOC(=O)[C@@H]21)N1CCC1 ZINC000364339939 385368350 /nfs/dbraw/zinc/36/83/50/385368350.db2.gz FHVCISORLBMBMS-MWLCHTKSSA-N 1 2 238.287 -0.144 20 0 BBADLO O=C(C[N@@H+]1CC[C@@H]2CCOC(=O)[C@@H]21)N1CCC1 ZINC000364339939 385368346 /nfs/dbraw/zinc/36/83/46/385368346.db2.gz FHVCISORLBMBMS-MWLCHTKSSA-N 1 2 238.287 -0.144 20 0 BBADLO O=C(C[N@H+]1CC[C@H]2CCOC(=O)[C@H]21)N1CCC1 ZINC000364339940 385367170 /nfs/dbraw/zinc/36/71/70/385367170.db2.gz FHVCISORLBMBMS-ONGXEEELSA-N 1 2 238.287 -0.144 20 0 BBADLO O=C(C[N@@H+]1CC[C@H]2CCOC(=O)[C@H]21)N1CCC1 ZINC000364339940 385367164 /nfs/dbraw/zinc/36/71/64/385367164.db2.gz FHVCISORLBMBMS-ONGXEEELSA-N 1 2 238.287 -0.144 20 0 BBADLO CC(C)(O)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000364398559 188005422 /nfs/dbraw/zinc/00/54/22/188005422.db2.gz DUORUAFCPYRPGZ-JTQLQIEISA-N 1 2 242.319 -0.263 20 0 BBADLO CC(C)(O)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000364398559 188005420 /nfs/dbraw/zinc/00/54/20/188005420.db2.gz DUORUAFCPYRPGZ-JTQLQIEISA-N 1 2 242.319 -0.263 20 0 BBADLO CC(C)(O)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000364398560 188175451 /nfs/dbraw/zinc/17/54/51/188175451.db2.gz DUORUAFCPYRPGZ-SNVBAGLBSA-N 1 2 242.319 -0.263 20 0 BBADLO CC(C)(O)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000364398560 188175450 /nfs/dbraw/zinc/17/54/50/188175450.db2.gz DUORUAFCPYRPGZ-SNVBAGLBSA-N 1 2 242.319 -0.263 20 0 BBADLO CCS(=O)(=O)CC[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364437774 385440986 /nfs/dbraw/zinc/44/09/86/385440986.db2.gz BUYBGCFPWMYULN-SECBINFHSA-N 1 2 233.333 -0.122 20 0 BBADLO CCS(=O)(=O)CC[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364437774 385440985 /nfs/dbraw/zinc/44/09/85/385440985.db2.gz BUYBGCFPWMYULN-SECBINFHSA-N 1 2 233.333 -0.122 20 0 BBADLO CCS(=O)(=O)CC[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000364437775 385440942 /nfs/dbraw/zinc/44/09/42/385440942.db2.gz BUYBGCFPWMYULN-VIFPVBQESA-N 1 2 233.333 -0.122 20 0 BBADLO CCS(=O)(=O)CC[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000364437775 385440940 /nfs/dbraw/zinc/44/09/40/385440940.db2.gz BUYBGCFPWMYULN-VIFPVBQESA-N 1 2 233.333 -0.122 20 0 BBADLO Cn1nnnc1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364451805 385447338 /nfs/dbraw/zinc/44/73/38/385447338.db2.gz ZAQKRJMHTKCYLZ-SSDOTTSWSA-N 1 2 209.253 -0.833 20 0 BBADLO Cn1nnnc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364451805 385447335 /nfs/dbraw/zinc/44/73/35/385447335.db2.gz ZAQKRJMHTKCYLZ-SSDOTTSWSA-N 1 2 209.253 -0.833 20 0 BBADLO Cn1nnnc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000364451810 385447246 /nfs/dbraw/zinc/44/72/46/385447246.db2.gz ZAQKRJMHTKCYLZ-ZETCQYMHSA-N 1 2 209.253 -0.833 20 0 BBADLO Cn1nnnc1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000364451810 385447242 /nfs/dbraw/zinc/44/72/42/385447242.db2.gz ZAQKRJMHTKCYLZ-ZETCQYMHSA-N 1 2 209.253 -0.833 20 0 BBADLO COC(C[N@H+]1CCN2C(=O)OC[C@H]2C1)OC ZINC000364593644 385479230 /nfs/dbraw/zinc/47/92/30/385479230.db2.gz XKYJLIICUXOFSK-MRVPVSSYSA-N 1 2 230.264 -0.258 20 0 BBADLO COC(C[N@@H+]1CCN2C(=O)OC[C@H]2C1)OC ZINC000364593644 385479226 /nfs/dbraw/zinc/47/92/26/385479226.db2.gz XKYJLIICUXOFSK-MRVPVSSYSA-N 1 2 230.264 -0.258 20 0 BBADLO COC(C[N@H+]1CCN2C(=O)OC[C@@H]2C1)OC ZINC000364593645 385479513 /nfs/dbraw/zinc/47/95/13/385479513.db2.gz XKYJLIICUXOFSK-QMMMGPOBSA-N 1 2 230.264 -0.258 20 0 BBADLO COC(C[N@@H+]1CCN2C(=O)OC[C@@H]2C1)OC ZINC000364593645 385479512 /nfs/dbraw/zinc/47/95/12/385479512.db2.gz XKYJLIICUXOFSK-QMMMGPOBSA-N 1 2 230.264 -0.258 20 0 BBADLO OC[C@H](O)CNc1cccc(-n2cc[nH+]c2)n1 ZINC000364640618 411689785 /nfs/dbraw/zinc/68/97/85/411689785.db2.gz JFRZZIQJBCOKDE-SECBINFHSA-N 1 2 234.259 0.032 20 0 BBADLO OC[C@@H](O)CNc1cccc(-n2cc[nH+]c2)n1 ZINC000364640629 411689446 /nfs/dbraw/zinc/68/94/46/411689446.db2.gz JFRZZIQJBCOKDE-VIFPVBQESA-N 1 2 234.259 0.032 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCC(C)(C)O ZINC000364654690 170002208 /nfs/dbraw/zinc/00/22/08/170002208.db2.gz OPJIGBWXNATLRS-JTQLQIEISA-N 1 2 244.335 -0.016 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCC(C)(C)O ZINC000364654690 170002207 /nfs/dbraw/zinc/00/22/07/170002207.db2.gz 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/nfs/dbraw/zinc/52/94/02/385529402.db2.gz RIONVFSCFMBUIF-PHIMTYICSA-N 1 2 241.335 -0.343 20 0 BBADLO CC(C)(C)OC(=O)C[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000364962021 388564061 /nfs/dbraw/zinc/56/40/61/388564061.db2.gz WPQHFBLRGKJZRP-LLVKDONJSA-N 1 2 244.291 -0.750 20 0 BBADLO CC(C)(C)OC(=O)C[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000364962021 388564059 /nfs/dbraw/zinc/56/40/59/388564059.db2.gz WPQHFBLRGKJZRP-LLVKDONJSA-N 1 2 244.291 -0.750 20 0 BBADLO CC(C)(C)OC(=O)C[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000364962024 192030783 /nfs/dbraw/zinc/03/07/83/192030783.db2.gz WPQHFBLRGKJZRP-NSHDSACASA-N 1 2 244.291 -0.750 20 0 BBADLO CC(C)(C)OC(=O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000364962024 192030782 /nfs/dbraw/zinc/03/07/82/192030782.db2.gz WPQHFBLRGKJZRP-NSHDSACASA-N 1 2 244.291 -0.750 20 0 BBADLO CCS(=O)(=O)NCC[NH+]1CC(O)(C2CC2)C1 ZINC000364963613 537813526 /nfs/dbraw/zinc/81/35/26/537813526.db2.gz QHPRMAUCULJUFL-UHFFFAOYSA-N 1 2 248.348 -0.618 20 0 BBADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCNC(=O)C1 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/nfs/dbraw/zinc/85/88/03/385858803.db2.gz RHNLIVGHJASZEY-POYBYMJQSA-N 1 2 238.247 -0.957 20 0 BBADLO COC(=O)[C@H]1C[C@H](NC(=O)C=C(C)C)C[NH2+]1 ZINC000365955842 385890468 /nfs/dbraw/zinc/89/04/68/385890468.db2.gz PJBGIDHEEJXPAS-DTWKUNHWSA-N 1 2 226.276 -0.028 20 0 BBADLO CCOCC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366088567 170341516 /nfs/dbraw/zinc/34/15/16/170341516.db2.gz SBMZFTDGUFYQSW-LLVKDONJSA-N 1 2 242.319 -0.044 20 0 BBADLO CCOCC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366088568 170341610 /nfs/dbraw/zinc/34/16/10/170341610.db2.gz SBMZFTDGUFYQSW-NSHDSACASA-N 1 2 242.319 -0.044 20 0 BBADLO COC(=O)[C@H]1C[C@H](NC(=O)c2cccnc2)C[NH2+]1 ZINC000366153587 386144348 /nfs/dbraw/zinc/14/43/48/386144348.db2.gz VZGLKRIQVKIPBM-VHSXEESVSA-N 1 2 249.270 -0.285 20 0 BBADLO Cn1ncc2c1nc(N1CCO[C@@H]3C[C@@H]31)[nH+]c2N ZINC000366158601 386142110 /nfs/dbraw/zinc/14/21/10/386142110.db2.gz ACPZJUAARWSJRX-JGVFFNPUSA-N 1 2 246.274 -0.077 20 0 BBADLO Cn1ncc2c1nc(N1CCO[C@H]3C[C@H]31)[nH+]c2N ZINC000366158602 386143284 /nfs/dbraw/zinc/14/32/84/386143284.db2.gz ACPZJUAARWSJRX-SFYZADRCSA-N 1 2 246.274 -0.077 20 0 BBADLO COC(=O)[C@H]1C[C@H](NC(=O)CCSC)C[NH2+]1 ZINC000366167488 386159477 /nfs/dbraw/zinc/15/94/77/386159477.db2.gz BNQFKHBARXTXBW-JGVFFNPUSA-N 1 2 246.332 -0.241 20 0 BBADLO CCN(CC)C(=O)N[C@@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC000366169432 386160502 /nfs/dbraw/zinc/16/05/02/386160502.db2.gz IBJATIWYSDYXOK-DTWKUNHWSA-N 1 2 243.307 -0.059 20 0 BBADLO COC(=O)[C@H]1C[C@H](NC(=O)c2ccco2)C[NH2+]1 ZINC000366170994 386159038 /nfs/dbraw/zinc/15/90/38/386159038.db2.gz MEACUSAYXWZODK-JGVFFNPUSA-N 1 2 238.243 -0.087 20 0 BBADLO COC(=O)[C@H]1C[C@H](NC(=O)[C@H]2CCCO2)C[NH2+]1 ZINC000366172165 386160335 /nfs/dbraw/zinc/16/03/35/386160335.db2.gz QDOIHRYZDITURZ-DJLDLDEBSA-N 1 2 242.275 -0.815 20 0 BBADLO COC(=O)[C@H]1C[C@H](NC(=O)[C@@H]2CCCO2)C[NH2+]1 ZINC000366172168 386159529 /nfs/dbraw/zinc/15/95/29/386159529.db2.gz QDOIHRYZDITURZ-YIZRAAEISA-N 1 2 242.275 -0.815 20 0 BBADLO CCNC(=O)C[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000366299562 170060137 /nfs/dbraw/zinc/06/01/37/170060137.db2.gz WDUZZSKDLOOCDO-MRVPVSSYSA-N 1 2 227.264 -0.741 20 0 BBADLO CCNC(=O)C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000366299562 170060135 /nfs/dbraw/zinc/06/01/35/170060135.db2.gz WDUZZSKDLOOCDO-MRVPVSSYSA-N 1 2 227.264 -0.741 20 0 BBADLO CCNC(=O)C[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000366299563 170060513 /nfs/dbraw/zinc/06/05/13/170060513.db2.gz WDUZZSKDLOOCDO-QMMMGPOBSA-N 1 2 227.264 -0.741 20 0 BBADLO CCNC(=O)C[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000366299563 170060511 /nfs/dbraw/zinc/06/05/11/170060511.db2.gz WDUZZSKDLOOCDO-QMMMGPOBSA-N 1 2 227.264 -0.741 20 0 BBADLO O=C(NCCO)C1([NH+]2CCOCC2)CCCC1 ZINC000366385793 182189565 /nfs/dbraw/zinc/18/95/65/182189565.db2.gz QXNHWOGCDISQBH-UHFFFAOYSA-N 1 2 242.319 -0.260 20 0 BBADLO CCS(=O)(=O)NCCC[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366401623 386454920 /nfs/dbraw/zinc/45/49/20/386454920.db2.gz LQRSFCGVJMJFMV-VHSXEESVSA-N 1 2 248.348 -0.211 20 0 BBADLO CCS(=O)(=O)NCCC[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366401623 386454913 /nfs/dbraw/zinc/45/49/13/386454913.db2.gz LQRSFCGVJMJFMV-VHSXEESVSA-N 1 2 248.348 -0.211 20 0 BBADLO CCS(=O)(=O)NCCC[N@H+]1CCO[C@H]2C[C@H]21 ZINC000366401624 386454269 /nfs/dbraw/zinc/45/42/69/386454269.db2.gz LQRSFCGVJMJFMV-ZJUUUORDSA-N 1 2 248.348 -0.211 20 0 BBADLO CCS(=O)(=O)NCCC[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000366401624 386454264 /nfs/dbraw/zinc/45/42/64/386454264.db2.gz LQRSFCGVJMJFMV-ZJUUUORDSA-N 1 2 248.348 -0.211 20 0 BBADLO C(C[N@H+]1CCO[C@@H]2C[C@@H]21)N1CCO[C@H]2C[C@H]21 ZINC000366446686 187329769 /nfs/dbraw/zinc/32/97/69/187329769.db2.gz XSNLNXTYQVCMSJ-IWDIQUIJSA-N 1 2 224.304 -0.067 20 0 BBADLO C(C[N@@H+]1CCO[C@@H]2C[C@@H]21)N1CCO[C@H]2C[C@H]21 ZINC000366446686 187329767 /nfs/dbraw/zinc/32/97/67/187329767.db2.gz XSNLNXTYQVCMSJ-IWDIQUIJSA-N 1 2 224.304 -0.067 20 0 BBADLO C(C[N@H+]1CCO[C@H]2C[C@H]21)N1CCO[C@@H]2C[C@@H]21 ZINC000366446686 187329765 /nfs/dbraw/zinc/32/97/65/187329765.db2.gz XSNLNXTYQVCMSJ-IWDIQUIJSA-N 1 2 224.304 -0.067 20 0 BBADLO C(C[N@@H+]1CCO[C@H]2C[C@H]21)N1CCO[C@@H]2C[C@@H]21 ZINC000366446686 187329764 /nfs/dbraw/zinc/32/97/64/187329764.db2.gz XSNLNXTYQVCMSJ-IWDIQUIJSA-N 1 2 224.304 -0.067 20 0 BBADLO C(C[N@H+]1CCO[C@@H]2C[C@@H]21)N1CCO[C@@H]2C[C@@H]21 ZINC000366446687 386493712 /nfs/dbraw/zinc/49/37/12/386493712.db2.gz XSNLNXTYQVCMSJ-NNYUYHANSA-N 1 2 224.304 -0.067 20 0 BBADLO C(C[N@@H+]1CCO[C@@H]2C[C@@H]21)N1CCO[C@@H]2C[C@@H]21 ZINC000366446687 386493706 /nfs/dbraw/zinc/49/37/06/386493706.db2.gz XSNLNXTYQVCMSJ-NNYUYHANSA-N 1 2 224.304 -0.067 20 0 BBADLO C[C@@H](O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000366450522 386506267 /nfs/dbraw/zinc/50/62/67/386506267.db2.gz IZZVTWANMKWQFN-GMTAPVOTSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@H](O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000366450523 386505313 /nfs/dbraw/zinc/50/53/13/386505313.db2.gz IZZVTWANMKWQFN-OUAUKWLOSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)CO ZINC000366452646 386506481 /nfs/dbraw/zinc/50/64/81/386506481.db2.gz MICXSYJASAYJAB-NXEZZACHSA-N 1 2 228.292 -0.700 20 0 BBADLO Cn1nnnc1C[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000366469111 386527047 /nfs/dbraw/zinc/52/70/47/386527047.db2.gz SUQKEIUVSZLGHS-RKDXNWHRSA-N 1 2 223.280 -0.037 20 0 BBADLO Cn1nnnc1C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000366469111 386527042 /nfs/dbraw/zinc/52/70/42/386527042.db2.gz SUQKEIUVSZLGHS-RKDXNWHRSA-N 1 2 223.280 -0.037 20 0 BBADLO O=C(NCCO)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366474725 182190268 /nfs/dbraw/zinc/19/02/68/182190268.db2.gz OPMFXKJDOLWYDZ-JTQLQIEISA-N 1 2 243.307 -0.859 20 0 BBADLO O=C(NCCO)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366474725 182190266 /nfs/dbraw/zinc/19/02/66/182190266.db2.gz OPMFXKJDOLWYDZ-JTQLQIEISA-N 1 2 243.307 -0.859 20 0 BBADLO O=C(NCCO)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366474727 182189703 /nfs/dbraw/zinc/18/97/03/182189703.db2.gz OPMFXKJDOLWYDZ-SNVBAGLBSA-N 1 2 243.307 -0.859 20 0 BBADLO O=C(NCCO)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366474727 182189701 /nfs/dbraw/zinc/18/97/01/182189701.db2.gz OPMFXKJDOLWYDZ-SNVBAGLBSA-N 1 2 243.307 -0.859 20 0 BBADLO C[C@H]1C[N@@H+](CC(N)=O)C[C@@]2(CCCOC2)O1 ZINC000366593400 177244591 /nfs/dbraw/zinc/24/45/91/177244591.db2.gz RTGHBVJWDNYIAH-GXSJLCMTSA-N 1 2 228.292 -0.258 20 0 BBADLO C[C@H]1C[N@H+](CC(N)=O)C[C@@]2(CCCOC2)O1 ZINC000366593400 177244589 /nfs/dbraw/zinc/24/45/89/177244589.db2.gz RTGHBVJWDNYIAH-GXSJLCMTSA-N 1 2 228.292 -0.258 20 0 BBADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@]2(CCCOC2)O1 ZINC000366593402 176285177 /nfs/dbraw/zinc/28/51/77/176285177.db2.gz RTGHBVJWDNYIAH-KOLCDFICSA-N 1 2 228.292 -0.258 20 0 BBADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@]2(CCCOC2)O1 ZINC000366593402 176285176 /nfs/dbraw/zinc/28/51/76/176285176.db2.gz RTGHBVJWDNYIAH-KOLCDFICSA-N 1 2 228.292 -0.258 20 0 BBADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@@]2(CCCOC2)O1 ZINC000366593403 176284574 /nfs/dbraw/zinc/28/45/74/176284574.db2.gz RTGHBVJWDNYIAH-MWLCHTKSSA-N 1 2 228.292 -0.258 20 0 BBADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@@]2(CCCOC2)O1 ZINC000366593403 176284573 /nfs/dbraw/zinc/28/45/73/176284573.db2.gz RTGHBVJWDNYIAH-MWLCHTKSSA-N 1 2 228.292 -0.258 20 0 BBADLO C[C@H]1C[N@@H+](CC(N)=O)C[C@]2(CCCOC2)O1 ZINC000366593404 177244650 /nfs/dbraw/zinc/24/46/50/177244650.db2.gz RTGHBVJWDNYIAH-ONGXEEELSA-N 1 2 228.292 -0.258 20 0 BBADLO C[C@H]1C[N@H+](CC(N)=O)C[C@]2(CCCOC2)O1 ZINC000366593404 177244647 /nfs/dbraw/zinc/24/46/47/177244647.db2.gz RTGHBVJWDNYIAH-ONGXEEELSA-N 1 2 228.292 -0.258 20 0 BBADLO CCCOC(=O)[C@@H](C)[N@H+]1C[C@H](O)C[C@H]1CO ZINC000366725535 169298486 /nfs/dbraw/zinc/29/84/86/169298486.db2.gz XBTLHHJJXNDWBR-KXUCPTDWSA-N 1 2 231.292 -0.244 20 0 BBADLO CCCOC(=O)[C@@H](C)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000366725535 169298484 /nfs/dbraw/zinc/29/84/84/169298484.db2.gz XBTLHHJJXNDWBR-KXUCPTDWSA-N 1 2 231.292 -0.244 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCC[C@@H](C)O ZINC000366748442 170001811 /nfs/dbraw/zinc/00/18/11/170001811.db2.gz NDPHVPGFFHKERE-GHMZBOCLSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCC[C@@H](C)O ZINC000366748442 170001809 /nfs/dbraw/zinc/00/18/09/170001809.db2.gz NDPHVPGFFHKERE-GHMZBOCLSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCC[C@@H](C)O ZINC000366748443 170001577 /nfs/dbraw/zinc/00/15/77/170001577.db2.gz NDPHVPGFFHKERE-MNOVXSKESA-N 1 2 244.335 -0.016 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCC[C@@H](C)O ZINC000366748443 170001575 /nfs/dbraw/zinc/00/15/75/170001575.db2.gz NDPHVPGFFHKERE-MNOVXSKESA-N 1 2 244.335 -0.016 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCC[C@H](C)O ZINC000366748444 170001953 /nfs/dbraw/zinc/00/19/53/170001953.db2.gz NDPHVPGFFHKERE-QWRGUYRKSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCC[C@H](C)O ZINC000366748444 170001952 /nfs/dbraw/zinc/00/19/52/170001952.db2.gz NDPHVPGFFHKERE-QWRGUYRKSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCC[C@H](C)O ZINC000366748445 170001203 /nfs/dbraw/zinc/00/12/03/170001203.db2.gz NDPHVPGFFHKERE-WDEREUQCSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCC[C@H](C)O ZINC000366748445 170001201 /nfs/dbraw/zinc/00/12/01/170001201.db2.gz NDPHVPGFFHKERE-WDEREUQCSA-N 1 2 244.335 -0.016 20 0 BBADLO CNC(=O)NC(=O)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000366754977 173287374 /nfs/dbraw/zinc/28/73/74/173287374.db2.gz GIEHEGIHDWDSJG-BDAKNGLRSA-N 1 2 241.291 -0.305 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000366754977 173287373 /nfs/dbraw/zinc/28/73/73/173287373.db2.gz GIEHEGIHDWDSJG-BDAKNGLRSA-N 1 2 241.291 -0.305 20 0 BBADLO C[N@@H+]1Cc2ccccc2[C@@H](NS(N)(=O)=O)C1 ZINC000366755735 173201304 /nfs/dbraw/zinc/20/13/04/173201304.db2.gz BEOWMGIOPQUQQJ-JTQLQIEISA-N 1 2 241.316 -0.034 20 0 BBADLO C[N@H+]1Cc2ccccc2[C@@H](NS(N)(=O)=O)C1 ZINC000366755735 173201301 /nfs/dbraw/zinc/20/13/01/173201301.db2.gz BEOWMGIOPQUQQJ-JTQLQIEISA-N 1 2 241.316 -0.034 20 0 BBADLO C[N@@H+]1Cc2ccccc2[C@H](NS(N)(=O)=O)C1 ZINC000366755740 173200981 /nfs/dbraw/zinc/20/09/81/173200981.db2.gz BEOWMGIOPQUQQJ-SNVBAGLBSA-N 1 2 241.316 -0.034 20 0 BBADLO C[N@H+]1Cc2ccccc2[C@H](NS(N)(=O)=O)C1 ZINC000366755740 173200978 /nfs/dbraw/zinc/20/09/78/173200978.db2.gz BEOWMGIOPQUQQJ-SNVBAGLBSA-N 1 2 241.316 -0.034 20 0 BBADLO Cn1nnnc1C[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000366791178 352903682 /nfs/dbraw/zinc/90/36/82/352903682.db2.gz BZDONOMDJNCSNP-UHFFFAOYSA-N 1 2 246.274 -0.131 20 0 BBADLO Cn1nnnc1C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000366791178 352903675 /nfs/dbraw/zinc/90/36/75/352903675.db2.gz BZDONOMDJNCSNP-UHFFFAOYSA-N 1 2 246.274 -0.131 20 0 BBADLO COC(=O)[C@H](C)[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000366814315 353572118 /nfs/dbraw/zinc/57/21/18/353572118.db2.gz WISBJSUGHHDCMB-CIUDSAMLSA-N 1 2 242.275 -0.863 20 0 BBADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000366814315 353572116 /nfs/dbraw/zinc/57/21/16/353572116.db2.gz WISBJSUGHHDCMB-CIUDSAMLSA-N 1 2 242.275 -0.863 20 0 BBADLO COC(=O)[C@H](C)[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000366814316 353572207 /nfs/dbraw/zinc/57/22/07/353572207.db2.gz WISBJSUGHHDCMB-DJLDLDEBSA-N 1 2 242.275 -0.863 20 0 BBADLO COC(=O)[C@H](C)[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000366814316 353572205 /nfs/dbraw/zinc/57/22/05/353572205.db2.gz WISBJSUGHHDCMB-DJLDLDEBSA-N 1 2 242.275 -0.863 20 0 BBADLO COC(=O)[C@H](C)[N@H+]1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000366814317 353572384 /nfs/dbraw/zinc/57/23/84/353572384.db2.gz WISBJSUGHHDCMB-XHNCKOQMSA-N 1 2 242.275 -0.863 20 0 BBADLO COC(=O)[C@H](C)[N@@H+]1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000366814317 353572380 /nfs/dbraw/zinc/57/23/80/353572380.db2.gz WISBJSUGHHDCMB-XHNCKOQMSA-N 1 2 242.275 -0.863 20 0 BBADLO COC(=O)[C@H](C)[N@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000366814318 353571944 /nfs/dbraw/zinc/57/19/44/353571944.db2.gz WISBJSUGHHDCMB-YIZRAAEISA-N 1 2 242.275 -0.863 20 0 BBADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000366814318 353571940 /nfs/dbraw/zinc/57/19/40/353571940.db2.gz WISBJSUGHHDCMB-YIZRAAEISA-N 1 2 242.275 -0.863 20 0 BBADLO CCCNC(=O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000366915902 135897150 /nfs/dbraw/zinc/89/71/50/135897150.db2.gz VZJRXNJFFLSCPH-NXEZZACHSA-N 1 2 239.319 -0.277 20 0 BBADLO CCCNC(=O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000366915902 135897149 /nfs/dbraw/zinc/89/71/49/135897149.db2.gz VZJRXNJFFLSCPH-NXEZZACHSA-N 1 2 239.319 -0.277 20 0 BBADLO COC(=O)C[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000366917227 386127529 /nfs/dbraw/zinc/12/75/29/386127529.db2.gz ZWBOMPOHLVAITI-SFYZADRCSA-N 1 2 228.248 -0.410 20 0 BBADLO COC(=O)C[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000366917227 386127525 /nfs/dbraw/zinc/12/75/25/386127525.db2.gz ZWBOMPOHLVAITI-SFYZADRCSA-N 1 2 228.248 -0.410 20 0 BBADLO Cc1nccnc1N1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC000366926160 354839422 /nfs/dbraw/zinc/83/94/22/354839422.db2.gz JOSQUOWFPGKIBW-JTQLQIEISA-N 1 2 249.318 -0.219 20 0 BBADLO Cc1nccnc1N1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC000366926161 354839383 /nfs/dbraw/zinc/83/93/83/354839383.db2.gz JOSQUOWFPGKIBW-SNVBAGLBSA-N 1 2 249.318 -0.219 20 0 BBADLO CCOC(=O)C[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000366947222 354963782 /nfs/dbraw/zinc/96/37/82/354963782.db2.gz WAZMVUWEQPTRHV-BDAKNGLRSA-N 1 2 242.275 -0.020 20 0 BBADLO CCOC(=O)C[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000366947222 354963779 /nfs/dbraw/zinc/96/37/79/354963779.db2.gz WAZMVUWEQPTRHV-BDAKNGLRSA-N 1 2 242.275 -0.020 20 0 BBADLO Cc1cn2c([nH+]1)CN(C(=O)c1cnnn1C)CC2 ZINC000366956972 355107776 /nfs/dbraw/zinc/10/77/76/355107776.db2.gz XXRWKJIADXTCRX-UHFFFAOYSA-N 1 2 246.274 -0.024 20 0 BBADLO CCN(CCO)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000367013591 398249117 /nfs/dbraw/zinc/24/91/17/398249117.db2.gz AQTMMNFKKXHRIL-SSDOTTSWSA-N 1 2 222.235 -0.176 20 0 BBADLO CCN(CCO)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000367013592 398249102 /nfs/dbraw/zinc/24/91/02/398249102.db2.gz AQTMMNFKKXHRIL-ZETCQYMHSA-N 1 2 222.235 -0.176 20 0 BBADLO CS(=O)(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000367070951 136319206 /nfs/dbraw/zinc/31/92/06/136319206.db2.gz DFRBOVINYUORBN-UWVGGRQHSA-N 1 2 248.348 -0.211 20 0 BBADLO CS(=O)(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000367070951 136319205 /nfs/dbraw/zinc/31/92/05/136319205.db2.gz DFRBOVINYUORBN-UWVGGRQHSA-N 1 2 248.348 -0.211 20 0 BBADLO CS(=O)(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000367070952 136318956 /nfs/dbraw/zinc/31/89/56/136318956.db2.gz DFRBOVINYUORBN-VHSXEESVSA-N 1 2 248.348 -0.211 20 0 BBADLO CS(=O)(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000367070952 136318955 /nfs/dbraw/zinc/31/89/55/136318955.db2.gz DFRBOVINYUORBN-VHSXEESVSA-N 1 2 248.348 -0.211 20 0 BBADLO Cn1nnnc1C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000367102279 355573700 /nfs/dbraw/zinc/57/37/00/355573700.db2.gz VLEXYSWNRUBRLZ-DTWKUNHWSA-N 1 2 223.280 -0.179 20 0 BBADLO Cn1nnnc1C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000367102279 355573698 /nfs/dbraw/zinc/57/36/98/355573698.db2.gz VLEXYSWNRUBRLZ-DTWKUNHWSA-N 1 2 223.280 -0.179 20 0 BBADLO C[C@@H]1CC(=O)NCC[N@H+]1CC(=O)NCC1CC1 ZINC000367103994 355667118 /nfs/dbraw/zinc/66/71/18/355667118.db2.gz VMVODSTXPHNFIH-SECBINFHSA-N 1 2 239.319 -0.277 20 0 BBADLO C[C@@H]1CC(=O)NCC[N@@H+]1CC(=O)NCC1CC1 ZINC000367103994 355667114 /nfs/dbraw/zinc/66/71/14/355667114.db2.gz VMVODSTXPHNFIH-SECBINFHSA-N 1 2 239.319 -0.277 20 0 BBADLO C[C@H]1CC(=O)NCC[N@H+]1CC(=O)NCC1CC1 ZINC000367103995 355667064 /nfs/dbraw/zinc/66/70/64/355667064.db2.gz VMVODSTXPHNFIH-VIFPVBQESA-N 1 2 239.319 -0.277 20 0 BBADLO C[C@H]1CC(=O)NCC[N@@H+]1CC(=O)NCC1CC1 ZINC000367103995 355667060 /nfs/dbraw/zinc/66/70/60/355667060.db2.gz VMVODSTXPHNFIH-VIFPVBQESA-N 1 2 239.319 -0.277 20 0 BBADLO NS(=O)(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000367129373 136252165 /nfs/dbraw/zinc/25/21/65/136252165.db2.gz QTTUAOBJRPPLDY-BDAKNGLRSA-N 1 2 249.336 -0.967 20 0 BBADLO NS(=O)(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000367129373 136252164 /nfs/dbraw/zinc/25/21/64/136252164.db2.gz QTTUAOBJRPPLDY-BDAKNGLRSA-N 1 2 249.336 -0.967 20 0 BBADLO NS(=O)(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000367129374 136251818 /nfs/dbraw/zinc/25/18/18/136251818.db2.gz QTTUAOBJRPPLDY-RKDXNWHRSA-N 1 2 249.336 -0.967 20 0 BBADLO NS(=O)(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000367129374 136251817 /nfs/dbraw/zinc/25/18/17/136251817.db2.gz QTTUAOBJRPPLDY-RKDXNWHRSA-N 1 2 249.336 -0.967 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCCOC ZINC000367262953 170001662 /nfs/dbraw/zinc/00/16/62/170001662.db2.gz TWRIKKFRASQTLG-JTQLQIEISA-N 1 2 230.308 -0.140 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCCOC ZINC000367262953 170001661 /nfs/dbraw/zinc/00/16/61/170001661.db2.gz TWRIKKFRASQTLG-JTQLQIEISA-N 1 2 230.308 -0.140 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCCOC ZINC000367262954 170001694 /nfs/dbraw/zinc/00/16/94/170001694.db2.gz TWRIKKFRASQTLG-SNVBAGLBSA-N 1 2 230.308 -0.140 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCCOC ZINC000367262954 170001693 /nfs/dbraw/zinc/00/16/93/170001693.db2.gz TWRIKKFRASQTLG-SNVBAGLBSA-N 1 2 230.308 -0.140 20 0 BBADLO O=c1[nH]nc([C@@H]2CCC[N@H+](CCO)C2)[nH]1 ZINC000367304080 183075691 /nfs/dbraw/zinc/07/56/91/183075691.db2.gz ZPNTWXVEYSAQOP-SSDOTTSWSA-N 1 2 212.253 -0.318 20 0 BBADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](CCO)C2)[nH]1 ZINC000367304080 183075688 /nfs/dbraw/zinc/07/56/88/183075688.db2.gz ZPNTWXVEYSAQOP-SSDOTTSWSA-N 1 2 212.253 -0.318 20 0 BBADLO O=c1[nH]nc([C@H]2CCC[N@H+](CCO)C2)[nH]1 ZINC000367304081 183075716 /nfs/dbraw/zinc/07/57/16/183075716.db2.gz ZPNTWXVEYSAQOP-ZETCQYMHSA-N 1 2 212.253 -0.318 20 0 BBADLO O=c1[nH]nc([C@H]2CCC[N@@H+](CCO)C2)[nH]1 ZINC000367304081 183075715 /nfs/dbraw/zinc/07/57/15/183075715.db2.gz ZPNTWXVEYSAQOP-ZETCQYMHSA-N 1 2 212.253 -0.318 20 0 BBADLO Cn1nnnc1C[N@H+]1CCC[C@@]12CCOC2 ZINC000367446376 385540407 /nfs/dbraw/zinc/54/04/07/385540407.db2.gz DNRMMHLLCBMZFG-JTQLQIEISA-N 1 2 223.280 -0.035 20 0 BBADLO Cn1nnnc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC000367446376 385540405 /nfs/dbraw/zinc/54/04/05/385540405.db2.gz DNRMMHLLCBMZFG-JTQLQIEISA-N 1 2 223.280 -0.035 20 0 BBADLO Cn1nnnc1C[N@H+]1CCC[C@]12CCOC2 ZINC000367446377 385539675 /nfs/dbraw/zinc/53/96/75/385539675.db2.gz DNRMMHLLCBMZFG-SNVBAGLBSA-N 1 2 223.280 -0.035 20 0 BBADLO Cn1nnnc1C[N@@H+]1CCC[C@]12CCOC2 ZINC000367446377 385539674 /nfs/dbraw/zinc/53/96/74/385539674.db2.gz DNRMMHLLCBMZFG-SNVBAGLBSA-N 1 2 223.280 -0.035 20 0 BBADLO C[C@H]1CC(=O)NCC[N@H+]1Cc1n[nH]c(=O)s1 ZINC000367453751 177062921 /nfs/dbraw/zinc/06/29/21/177062921.db2.gz ZSKUBJGJRAZDDH-LURJTMIESA-N 1 2 242.304 -0.046 20 0 BBADLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1n[nH]c(=O)s1 ZINC000367453751 177062920 /nfs/dbraw/zinc/06/29/20/177062920.db2.gz ZSKUBJGJRAZDDH-LURJTMIESA-N 1 2 242.304 -0.046 20 0 BBADLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1n[nH]c(=O)s1 ZINC000367453752 176050632 /nfs/dbraw/zinc/05/06/32/176050632.db2.gz ZSKUBJGJRAZDDH-ZCFIWIBFSA-N 1 2 242.304 -0.046 20 0 BBADLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1n[nH]c(=O)s1 ZINC000367453752 176050631 /nfs/dbraw/zinc/05/06/31/176050631.db2.gz ZSKUBJGJRAZDDH-ZCFIWIBFSA-N 1 2 242.304 -0.046 20 0 BBADLO CN(C)S(=O)(=O)CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000367500894 387716215 /nfs/dbraw/zinc/71/62/15/387716215.db2.gz RZIXABDVAFEJAT-AOOOYVTPSA-N 1 2 248.348 -0.259 20 0 BBADLO CN(C)S(=O)(=O)CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000367500894 387716211 /nfs/dbraw/zinc/71/62/11/387716211.db2.gz RZIXABDVAFEJAT-AOOOYVTPSA-N 1 2 248.348 -0.259 20 0 BBADLO CNS(=O)(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000367552462 387723440 /nfs/dbraw/zinc/72/34/40/387723440.db2.gz GOWSFEQMWIHQDJ-UHFFFAOYSA-N 1 2 230.293 -0.529 20 0 BBADLO C[C@H](CO)NN1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000367572777 177329057 /nfs/dbraw/zinc/32/90/57/177329057.db2.gz BIIROCJFUPYUAS-GRYCIOLGSA-N 1 2 243.351 -0.333 20 0 BBADLO C[C@H](CO)NN1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000367572779 387728133 /nfs/dbraw/zinc/72/81/33/387728133.db2.gz BIIROCJFUPYUAS-IJLUTSLNSA-N 1 2 243.351 -0.333 20 0 BBADLO C[C@H](CO)NN1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000367572780 387727881 /nfs/dbraw/zinc/72/78/81/387727881.db2.gz BIIROCJFUPYUAS-UTUOFQBUSA-N 1 2 243.351 -0.333 20 0 BBADLO C[C@H](CO)NN1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000367572781 177365903 /nfs/dbraw/zinc/36/59/03/177365903.db2.gz BIIROCJFUPYUAS-WOPDTQHZSA-N 1 2 243.351 -0.333 20 0 BBADLO OCCOCC[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000367588791 183083615 /nfs/dbraw/zinc/08/36/15/183083615.db2.gz XPXSNHSTLRCNAB-NEPJUHHUSA-N 1 2 245.319 -0.125 20 0 BBADLO OCCOCC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000367588791 183083613 /nfs/dbraw/zinc/08/36/13/183083613.db2.gz XPXSNHSTLRCNAB-NEPJUHHUSA-N 1 2 245.319 -0.125 20 0 BBADLO OCCOCC[N@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000367588792 183084172 /nfs/dbraw/zinc/08/41/72/183084172.db2.gz XPXSNHSTLRCNAB-NWDGAFQWSA-N 1 2 245.319 -0.125 20 0 BBADLO OCCOCC[N@@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000367588792 183084170 /nfs/dbraw/zinc/08/41/70/183084170.db2.gz XPXSNHSTLRCNAB-NWDGAFQWSA-N 1 2 245.319 -0.125 20 0 BBADLO OCCOCC[N@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000367588793 183084337 /nfs/dbraw/zinc/08/43/37/183084337.db2.gz XPXSNHSTLRCNAB-RYUDHWBXSA-N 1 2 245.319 -0.125 20 0 BBADLO OCCOCC[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000367588793 183084334 /nfs/dbraw/zinc/08/43/34/183084334.db2.gz XPXSNHSTLRCNAB-RYUDHWBXSA-N 1 2 245.319 -0.125 20 0 BBADLO OCCOCC[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000367588794 183084165 /nfs/dbraw/zinc/08/41/65/183084165.db2.gz XPXSNHSTLRCNAB-VXGBXAGGSA-N 1 2 245.319 -0.125 20 0 BBADLO OCCOCC[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000367588794 183084164 /nfs/dbraw/zinc/08/41/64/183084164.db2.gz XPXSNHSTLRCNAB-VXGBXAGGSA-N 1 2 245.319 -0.125 20 0 BBADLO COC[C@@H](O)C[N@H+]1C[C@H](OC)C[C@H]1C(=O)OC ZINC000367605309 387733524 /nfs/dbraw/zinc/73/35/24/387733524.db2.gz BJTMAZABURSEHJ-AEJSXWLSSA-N 1 2 247.291 -0.744 20 0 BBADLO COC[C@@H](O)C[N@@H+]1C[C@H](OC)C[C@H]1C(=O)OC ZINC000367605309 387733520 /nfs/dbraw/zinc/73/35/20/387733520.db2.gz BJTMAZABURSEHJ-AEJSXWLSSA-N 1 2 247.291 -0.744 20 0 BBADLO COC[C@@H](O)C[N@H+]1C[C@@H](OC)C[C@H]1C(=O)OC ZINC000367605310 387733758 /nfs/dbraw/zinc/73/37/58/387733758.db2.gz BJTMAZABURSEHJ-GUBZILKMSA-N 1 2 247.291 -0.744 20 0 BBADLO COC[C@@H](O)C[N@@H+]1C[C@@H](OC)C[C@H]1C(=O)OC ZINC000367605310 387733755 /nfs/dbraw/zinc/73/37/55/387733755.db2.gz BJTMAZABURSEHJ-GUBZILKMSA-N 1 2 247.291 -0.744 20 0 BBADLO COC[C@@H](O)C[N@H+]1C[C@H](OC)C[C@@H]1C(=O)OC ZINC000367605311 174494615 /nfs/dbraw/zinc/49/46/15/174494615.db2.gz BJTMAZABURSEHJ-IVZWLZJFSA-N 1 2 247.291 -0.744 20 0 BBADLO COC[C@@H](O)C[N@@H+]1C[C@H](OC)C[C@@H]1C(=O)OC ZINC000367605311 174494614 /nfs/dbraw/zinc/49/46/14/174494614.db2.gz BJTMAZABURSEHJ-IVZWLZJFSA-N 1 2 247.291 -0.744 20 0 BBADLO COC[C@@H](O)C[N@H+]1C[C@@H](OC)C[C@@H]1C(=O)OC ZINC000367605312 387734584 /nfs/dbraw/zinc/73/45/84/387734584.db2.gz BJTMAZABURSEHJ-LPEHRKFASA-N 1 2 247.291 -0.744 20 0 BBADLO COC[C@@H](O)C[N@@H+]1C[C@@H](OC)C[C@@H]1C(=O)OC ZINC000367605312 387734579 /nfs/dbraw/zinc/73/45/79/387734579.db2.gz BJTMAZABURSEHJ-LPEHRKFASA-N 1 2 247.291 -0.744 20 0 BBADLO CCCN(CCO)C(=O)[C@H]1COCC[N@H+]1CC ZINC000367636382 169164229 /nfs/dbraw/zinc/16/42/29/169164229.db2.gz 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/nfs/dbraw/zinc/00/12/85/170001285.db2.gz AHRRHKSBECVSGF-MNOVXSKESA-N 1 2 242.319 -0.452 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](CO)C1 ZINC000367738403 170001283 /nfs/dbraw/zinc/00/12/83/170001283.db2.gz AHRRHKSBECVSGF-MNOVXSKESA-N 1 2 242.319 -0.452 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@H](CO)C1 ZINC000367738404 170002115 /nfs/dbraw/zinc/00/21/15/170002115.db2.gz AHRRHKSBECVSGF-QWRGUYRKSA-N 1 2 242.319 -0.452 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@H](CO)C1 ZINC000367738404 170002113 /nfs/dbraw/zinc/00/21/13/170002113.db2.gz AHRRHKSBECVSGF-QWRGUYRKSA-N 1 2 242.319 -0.452 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](CO)C1 ZINC000367738405 170000321 /nfs/dbraw/zinc/00/03/21/170000321.db2.gz AHRRHKSBECVSGF-WDEREUQCSA-N 1 2 242.319 -0.452 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](CO)C1 ZINC000367738405 170000320 /nfs/dbraw/zinc/00/03/20/170000320.db2.gz AHRRHKSBECVSGF-WDEREUQCSA-N 1 2 242.319 -0.452 20 0 BBADLO CC(C)[C@H](O)C[N@H+]1CCn2c(nn(C)c2=O)C1 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344553230 /nfs/dbraw/zinc/55/32/30/344553230.db2.gz QJDTYTANVCYNDX-SNVBAGLBSA-N 1 2 239.319 -0.051 20 0 BBADLO C[C@@H]1CC(=O)NCC[N@H+]1CC(=O)N1CCC1 ZINC000371182601 176049196 /nfs/dbraw/zinc/04/91/96/176049196.db2.gz DVZVLLYPYKIEBZ-SECBINFHSA-N 1 2 225.292 -0.571 20 0 BBADLO C[C@@H]1CC(=O)NCC[N@@H+]1CC(=O)N1CCC1 ZINC000371182601 176049195 /nfs/dbraw/zinc/04/91/95/176049195.db2.gz DVZVLLYPYKIEBZ-SECBINFHSA-N 1 2 225.292 -0.571 20 0 BBADLO C[C@H]1CC(=O)NCC[N@H+]1CC(=O)N1CCC1 ZINC000371182602 177062828 /nfs/dbraw/zinc/06/28/28/177062828.db2.gz DVZVLLYPYKIEBZ-VIFPVBQESA-N 1 2 225.292 -0.571 20 0 BBADLO C[C@H]1CC(=O)NCC[N@@H+]1CC(=O)N1CCC1 ZINC000371182602 177062827 /nfs/dbraw/zinc/06/28/27/177062827.db2.gz DVZVLLYPYKIEBZ-VIFPVBQESA-N 1 2 225.292 -0.571 20 0 BBADLO CCCNC(=O)C[N@H+]1CCNC(=O)C[C@H]1C ZINC000371183250 169222453 /nfs/dbraw/zinc/22/24/53/169222453.db2.gz IGBMCBSJQXQLHE-SECBINFHSA-N 1 2 227.308 -0.277 20 0 BBADLO CCCNC(=O)C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000371183250 169222451 /nfs/dbraw/zinc/22/24/51/169222451.db2.gz IGBMCBSJQXQLHE-SECBINFHSA-N 1 2 227.308 -0.277 20 0 BBADLO CCCNC(=O)C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000371183254 169223244 /nfs/dbraw/zinc/22/32/44/169223244.db2.gz IGBMCBSJQXQLHE-VIFPVBQESA-N 1 2 227.308 -0.277 20 0 BBADLO CCCNC(=O)C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000371183254 169223243 /nfs/dbraw/zinc/22/32/43/169223243.db2.gz IGBMCBSJQXQLHE-VIFPVBQESA-N 1 2 227.308 -0.277 20 0 BBADLO CC(C)NC(=O)C[N@H+]1CCNC(=O)C[C@H]1C ZINC000371183492 167052842 /nfs/dbraw/zinc/05/28/42/167052842.db2.gz JBEXYDXQDIKZOL-SECBINFHSA-N 1 2 227.308 -0.279 20 0 BBADLO CC(C)NC(=O)C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000371183492 167052840 /nfs/dbraw/zinc/05/28/40/167052840.db2.gz JBEXYDXQDIKZOL-SECBINFHSA-N 1 2 227.308 -0.279 20 0 BBADLO CC(C)NC(=O)C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000371183493 167052019 /nfs/dbraw/zinc/05/20/19/167052019.db2.gz JBEXYDXQDIKZOL-VIFPVBQESA-N 1 2 227.308 -0.279 20 0 BBADLO CC(C)NC(=O)C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000371183493 167052016 /nfs/dbraw/zinc/05/20/16/167052016.db2.gz JBEXYDXQDIKZOL-VIFPVBQESA-N 1 2 227.308 -0.279 20 0 BBADLO C[C@@H]1CC(=O)NCC[N@H+]1CC(=O)NC1CC1 ZINC000371195175 176049146 /nfs/dbraw/zinc/04/91/46/176049146.db2.gz JKLKOBWEUFGRRI-MRVPVSSYSA-N 1 2 225.292 -0.525 20 0 BBADLO C[C@@H]1CC(=O)NCC[N@@H+]1CC(=O)NC1CC1 ZINC000371195175 176049145 /nfs/dbraw/zinc/04/91/45/176049145.db2.gz JKLKOBWEUFGRRI-MRVPVSSYSA-N 1 2 225.292 -0.525 20 0 BBADLO C[C@H]1CC(=O)NCC[N@H+]1CC(=O)NC1CC1 ZINC000371195176 177062572 /nfs/dbraw/zinc/06/25/72/177062572.db2.gz JKLKOBWEUFGRRI-QMMMGPOBSA-N 1 2 225.292 -0.525 20 0 BBADLO C[C@H]1CC(=O)NCC[N@@H+]1CC(=O)NC1CC1 ZINC000371195176 177062571 /nfs/dbraw/zinc/06/25/71/177062571.db2.gz JKLKOBWEUFGRRI-QMMMGPOBSA-N 1 2 225.292 -0.525 20 0 BBADLO O=C(Cc1cc[nH]n1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000371294614 182034257 /nfs/dbraw/zinc/03/42/57/182034257.db2.gz LZBWGRHWUCJFOB-LLVKDONJSA-N 1 2 249.318 -0.932 20 0 BBADLO O=C(Cc1cc[nH]n1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000371294615 182034200 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O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CNC(=O)C1 ZINC000371307621 387189386 /nfs/dbraw/zinc/18/93/86/387189386.db2.gz GTSKHJZNQWJAFM-SFYZADRCSA-N 1 2 248.286 -0.481 20 0 BBADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CNC(=O)C1 ZINC000371307622 387189287 /nfs/dbraw/zinc/18/92/87/387189287.db2.gz GTSKHJZNQWJAFM-YUMQZZPRSA-N 1 2 248.286 -0.481 20 0 BBADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CNC(=O)C1 ZINC000371307622 387189284 /nfs/dbraw/zinc/18/92/84/387189284.db2.gz GTSKHJZNQWJAFM-YUMQZZPRSA-N 1 2 248.286 -0.481 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCOCC1 ZINC000371338582 170001248 /nfs/dbraw/zinc/00/12/48/170001248.db2.gz FGPFBLMLGBJGCJ-JTQLQIEISA-N 1 2 228.292 -0.434 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCOCC1 ZINC000371338582 170001246 /nfs/dbraw/zinc/00/12/46/170001246.db2.gz FGPFBLMLGBJGCJ-JTQLQIEISA-N 1 2 228.292 -0.434 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCOCC1 ZINC000371338583 170000652 /nfs/dbraw/zinc/00/06/52/170000652.db2.gz FGPFBLMLGBJGCJ-SNVBAGLBSA-N 1 2 228.292 -0.434 20 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BBADLO CN(C)C(=O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000371829437 172366244 /nfs/dbraw/zinc/36/62/44/172366244.db2.gz TYLDGMHIGWPRHE-JTQLQIEISA-N 1 2 227.308 -0.909 20 0 BBADLO CN(C)C(=O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000371829439 172366234 /nfs/dbraw/zinc/36/62/34/172366234.db2.gz TYLDGMHIGWPRHE-SNVBAGLBSA-N 1 2 227.308 -0.909 20 0 BBADLO CN(C)C(=O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000371829439 172366233 /nfs/dbraw/zinc/36/62/33/172366233.db2.gz TYLDGMHIGWPRHE-SNVBAGLBSA-N 1 2 227.308 -0.909 20 0 BBADLO CCN1CC[N@H+]([C@H]2CCCCNC2=O)CC1=O ZINC000371834097 357052176 /nfs/dbraw/zinc/05/21/76/357052176.db2.gz HBNUCTRXSWVRFK-JTQLQIEISA-N 1 2 239.319 -0.181 20 0 BBADLO CCN1CC[N@@H+]([C@H]2CCCCNC2=O)CC1=O ZINC000371834097 357052173 /nfs/dbraw/zinc/05/21/73/357052173.db2.gz HBNUCTRXSWVRFK-JTQLQIEISA-N 1 2 239.319 -0.181 20 0 BBADLO CCN1CC[N@H+]([C@@H]2CCCCNC2=O)CC1=O ZINC000371834098 357052156 /nfs/dbraw/zinc/05/21/56/357052156.db2.gz HBNUCTRXSWVRFK-SNVBAGLBSA-N 1 2 239.319 -0.181 20 0 BBADLO 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173197798 /nfs/dbraw/zinc/19/77/98/173197798.db2.gz ICUIIFHYEMGPLA-NSHDSACASA-N 1 2 249.318 -0.028 20 0 BBADLO CN1C[C@H]2C[N@H+](Cc3ccnn3C)CCN2C1=O ZINC000373243182 173197796 /nfs/dbraw/zinc/19/77/96/173197796.db2.gz ICUIIFHYEMGPLA-NSHDSACASA-N 1 2 249.318 -0.028 20 0 BBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C(F)F ZINC000373325837 182228436 /nfs/dbraw/zinc/22/84/36/182228436.db2.gz VMOCJJMASDTXPJ-SSDOTTSWSA-N 1 2 219.235 -0.633 20 0 BBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)C(F)F ZINC000373325838 182245701 /nfs/dbraw/zinc/24/57/01/182245701.db2.gz VMOCJJMASDTXPJ-ZETCQYMHSA-N 1 2 219.235 -0.633 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCCCO ZINC000373340882 170001269 /nfs/dbraw/zinc/00/12/69/170001269.db2.gz LSNCPMWDRNHELK-JTQLQIEISA-N 1 2 230.308 -0.404 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCCCO ZINC000373340882 170001266 /nfs/dbraw/zinc/00/12/66/170001266.db2.gz LSNCPMWDRNHELK-JTQLQIEISA-N 1 2 230.308 -0.404 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCCCO ZINC000373340883 170001981 /nfs/dbraw/zinc/00/19/81/170001981.db2.gz LSNCPMWDRNHELK-SNVBAGLBSA-N 1 2 230.308 -0.404 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCCCO ZINC000373340883 170001979 /nfs/dbraw/zinc/00/19/79/170001979.db2.gz LSNCPMWDRNHELK-SNVBAGLBSA-N 1 2 230.308 -0.404 20 0 BBADLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)N(C)C)CCO2 ZINC000373402076 387363429 /nfs/dbraw/zinc/36/34/29/387363429.db2.gz FWJPCMIVBOAZBD-CMPLNLGQSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)N(C)C)CCO2 ZINC000373402076 387363425 /nfs/dbraw/zinc/36/34/25/387363425.db2.gz FWJPCMIVBOAZBD-CMPLNLGQSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)N(C)C)CCO2 ZINC000373402077 387364886 /nfs/dbraw/zinc/36/48/86/387364886.db2.gz FWJPCMIVBOAZBD-JQWIXIFHSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)N(C)C)CCO2 ZINC000373402077 387364882 /nfs/dbraw/zinc/36/48/82/387364882.db2.gz FWJPCMIVBOAZBD-JQWIXIFHSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@H]1OCC[C@]12C[N@@H+](CC(=O)N(C)C)CCO2 ZINC000373402078 387363762 /nfs/dbraw/zinc/36/37/62/387363762.db2.gz FWJPCMIVBOAZBD-PWSUYJOCSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@H]1OCC[C@]12C[N@H+](CC(=O)N(C)C)CCO2 ZINC000373402078 387363755 /nfs/dbraw/zinc/36/37/55/387363755.db2.gz FWJPCMIVBOAZBD-PWSUYJOCSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@H]1OCC[C@@]12C[N@@H+](CC(=O)N(C)C)CCO2 ZINC000373402079 387363361 /nfs/dbraw/zinc/36/33/61/387363361.db2.gz FWJPCMIVBOAZBD-ZYHUDNBSSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@H]1OCC[C@@]12C[N@H+](CC(=O)N(C)C)CCO2 ZINC000373402079 387363355 /nfs/dbraw/zinc/36/33/55/387363355.db2.gz FWJPCMIVBOAZBD-ZYHUDNBSSA-N 1 2 242.319 -0.046 20 0 BBADLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CC(OC)OC ZINC000373434246 387367505 /nfs/dbraw/zinc/36/75/05/387367505.db2.gz FOSSTSCQILTTQP-PSASIEDQSA-N 1 2 247.291 -0.396 20 0 BBADLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CC(OC)OC ZINC000373434246 387367502 /nfs/dbraw/zinc/36/75/02/387367502.db2.gz FOSSTSCQILTTQP-PSASIEDQSA-N 1 2 247.291 -0.396 20 0 BBADLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CC(OC)OC ZINC000373434247 387366084 /nfs/dbraw/zinc/36/60/84/387366084.db2.gz FOSSTSCQILTTQP-SCZZXKLOSA-N 1 2 247.291 -0.396 20 0 BBADLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CC(OC)OC ZINC000373434247 387366079 /nfs/dbraw/zinc/36/60/79/387366079.db2.gz FOSSTSCQILTTQP-SCZZXKLOSA-N 1 2 247.291 -0.396 20 0 BBADLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CC(OC)OC ZINC000373434248 387365810 /nfs/dbraw/zinc/36/58/10/387365810.db2.gz FOSSTSCQILTTQP-WCBMZHEXSA-N 1 2 247.291 -0.396 20 0 BBADLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CC(OC)OC ZINC000373434248 387365805 /nfs/dbraw/zinc/36/58/05/387365805.db2.gz FOSSTSCQILTTQP-WCBMZHEXSA-N 1 2 247.291 -0.396 20 0 BBADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CC(OC)OC ZINC000373434249 387367223 /nfs/dbraw/zinc/36/72/23/387367223.db2.gz FOSSTSCQILTTQP-WPRPVWTQSA-N 1 2 247.291 -0.396 20 0 BBADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CC(OC)OC ZINC000373434249 387367222 /nfs/dbraw/zinc/36/72/22/387367222.db2.gz FOSSTSCQILTTQP-WPRPVWTQSA-N 1 2 247.291 -0.396 20 0 BBADLO O=C(NCCO)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000373494308 182191729 /nfs/dbraw/zinc/19/17/29/182191729.db2.gz PMEAVBAROUBSSZ-LLVKDONJSA-N 1 2 242.319 -0.404 20 0 BBADLO O=C(NCCO)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000373494308 182191726 /nfs/dbraw/zinc/19/17/26/182191726.db2.gz PMEAVBAROUBSSZ-LLVKDONJSA-N 1 2 242.319 -0.404 20 0 BBADLO O=C(NCCO)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000373494310 182191716 /nfs/dbraw/zinc/19/17/16/182191716.db2.gz PMEAVBAROUBSSZ-NSHDSACASA-N 1 2 242.319 -0.404 20 0 BBADLO O=C(NCCO)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000373494310 182191714 /nfs/dbraw/zinc/19/17/14/182191714.db2.gz PMEAVBAROUBSSZ-NSHDSACASA-N 1 2 242.319 -0.404 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@@H](C2CC2)O1 ZINC000373510354 176282799 /nfs/dbraw/zinc/28/27/99/176282799.db2.gz SLQNSEUBNOLYKA-APPZFPTMSA-N 1 2 241.291 -0.319 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@@H](C2CC2)O1 ZINC000373510354 176282797 /nfs/dbraw/zinc/28/27/97/176282797.db2.gz SLQNSEUBNOLYKA-APPZFPTMSA-N 1 2 241.291 -0.319 20 0 BBADLO C[C@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@@H](C2CC2)O1 ZINC000373510355 177243665 /nfs/dbraw/zinc/24/36/65/177243665.db2.gz SLQNSEUBNOLYKA-CBAPKCEASA-N 1 2 241.291 -0.319 20 0 BBADLO C[C@H]1C[N@H+](CC(=O)NC(N)=O)C[C@@H](C2CC2)O1 ZINC000373510355 177243664 /nfs/dbraw/zinc/24/36/64/177243664.db2.gz SLQNSEUBNOLYKA-CBAPKCEASA-N 1 2 241.291 -0.319 20 0 BBADLO C[C@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H](C2CC2)O1 ZINC000373510356 177243134 /nfs/dbraw/zinc/24/31/34/177243134.db2.gz SLQNSEUBNOLYKA-IONNQARKSA-N 1 2 241.291 -0.319 20 0 BBADLO C[C@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H](C2CC2)O1 ZINC000373510356 177243132 /nfs/dbraw/zinc/24/31/32/177243132.db2.gz SLQNSEUBNOLYKA-IONNQARKSA-N 1 2 241.291 -0.319 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H](C2CC2)O1 ZINC000373510358 176282982 /nfs/dbraw/zinc/28/29/82/176282982.db2.gz SLQNSEUBNOLYKA-VXNVDRBHSA-N 1 2 241.291 -0.319 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H](C2CC2)O1 ZINC000373510358 176282981 /nfs/dbraw/zinc/28/29/81/176282981.db2.gz SLQNSEUBNOLYKA-VXNVDRBHSA-N 1 2 241.291 -0.319 20 0 BBADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC(O)C1 ZINC000373566874 387382919 /nfs/dbraw/zinc/38/29/19/387382919.db2.gz FVPLDPOLMVLRHX-MRVPVSSYSA-N 1 2 221.260 -0.351 20 0 BBADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CC(O)C1 ZINC000373566875 387382364 /nfs/dbraw/zinc/38/23/64/387382364.db2.gz FVPLDPOLMVLRHX-QMMMGPOBSA-N 1 2 221.260 -0.351 20 0 BBADLO CCNC(=O)C[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000373676921 170059467 /nfs/dbraw/zinc/05/94/67/170059467.db2.gz SBVDTYPLFZPAEE-LLVKDONJSA-N 1 2 241.291 -0.303 20 0 BBADLO CCNC(=O)C[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000373676921 170059465 /nfs/dbraw/zinc/05/94/65/170059465.db2.gz SBVDTYPLFZPAEE-LLVKDONJSA-N 1 2 241.291 -0.303 20 0 BBADLO CCNC(=O)C[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000373676926 170060386 /nfs/dbraw/zinc/06/03/86/170060386.db2.gz SBVDTYPLFZPAEE-NSHDSACASA-N 1 2 241.291 -0.303 20 0 BBADLO CCNC(=O)C[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000373676926 170060384 /nfs/dbraw/zinc/06/03/84/170060384.db2.gz SBVDTYPLFZPAEE-NSHDSACASA-N 1 2 241.291 -0.303 20 0 BBADLO C[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@]2(CCOC2)O1 ZINC000373789236 177241889 /nfs/dbraw/zinc/24/18/89/177241889.db2.gz CNQIFCXIPNESKY-CMPLNLGQSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@]2(CCOC2)O1 ZINC000373789236 177241887 /nfs/dbraw/zinc/24/18/87/177241887.db2.gz CNQIFCXIPNESKY-CMPLNLGQSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@]2(CCOC2)O1 ZINC000373789241 177241834 /nfs/dbraw/zinc/24/18/34/177241834.db2.gz CNQIFCXIPNESKY-JQWIXIFHSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@H]1C[N@H+](CC(=O)N(C)C)C[C@]2(CCOC2)O1 ZINC000373789241 177241832 /nfs/dbraw/zinc/24/18/32/177241832.db2.gz CNQIFCXIPNESKY-JQWIXIFHSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@]2(CCOC2)O1 ZINC000373789243 176283229 /nfs/dbraw/zinc/28/32/29/176283229.db2.gz CNQIFCXIPNESKY-PWSUYJOCSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@]2(CCOC2)O1 ZINC000373789243 176283228 /nfs/dbraw/zinc/28/32/28/176283228.db2.gz CNQIFCXIPNESKY-PWSUYJOCSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@]2(CCOC2)O1 ZINC000373789245 176283992 /nfs/dbraw/zinc/28/39/92/176283992.db2.gz CNQIFCXIPNESKY-ZYHUDNBSSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@]2(CCOC2)O1 ZINC000373789245 176283990 /nfs/dbraw/zinc/28/39/90/176283990.db2.gz CNQIFCXIPNESKY-ZYHUDNBSSA-N 1 2 242.319 -0.046 20 0 BBADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@]2(CCOC2)O1 ZINC000373795908 357145092 /nfs/dbraw/zinc/14/50/92/357145092.db2.gz GURIDLXVPMCPOX-LLVKDONJSA-N 1 2 228.292 -0.258 20 0 BBADLO CC1(C)C[N@H+](CC(N)=O)C[C@@]2(CCOC2)O1 ZINC000373795908 357145086 /nfs/dbraw/zinc/14/50/86/357145086.db2.gz GURIDLXVPMCPOX-LLVKDONJSA-N 1 2 228.292 -0.258 20 0 BBADLO CC1(C)C[N@@H+](CC(N)=O)C[C@]2(CCOC2)O1 ZINC000373795910 357144558 /nfs/dbraw/zinc/14/45/58/357144558.db2.gz GURIDLXVPMCPOX-NSHDSACASA-N 1 2 228.292 -0.258 20 0 BBADLO CC1(C)C[N@H+](CC(N)=O)C[C@]2(CCOC2)O1 ZINC000373795910 357144554 /nfs/dbraw/zinc/14/45/54/357144554.db2.gz GURIDLXVPMCPOX-NSHDSACASA-N 1 2 228.292 -0.258 20 0 BBADLO CC[C@H]1C[N@@H+](CC(N)=O)C[C@@]2(CCOC2)O1 ZINC000373799481 387395696 /nfs/dbraw/zinc/39/56/96/387395696.db2.gz VUVKBLNRNRRIOM-GXSJLCMTSA-N 1 2 228.292 -0.258 20 0 BBADLO CC[C@H]1C[N@H+](CC(N)=O)C[C@@]2(CCOC2)O1 ZINC000373799481 387395690 /nfs/dbraw/zinc/39/56/90/387395690.db2.gz VUVKBLNRNRRIOM-GXSJLCMTSA-N 1 2 228.292 -0.258 20 0 BBADLO CC[C@@H]1C[N@@H+](CC(N)=O)C[C@]2(CCOC2)O1 ZINC000373799482 171075558 /nfs/dbraw/zinc/07/55/58/171075558.db2.gz VUVKBLNRNRRIOM-KOLCDFICSA-N 1 2 228.292 -0.258 20 0 BBADLO CC[C@@H]1C[N@H+](CC(N)=O)C[C@]2(CCOC2)O1 ZINC000373799482 171075554 /nfs/dbraw/zinc/07/55/54/171075554.db2.gz VUVKBLNRNRRIOM-KOLCDFICSA-N 1 2 228.292 -0.258 20 0 BBADLO CC[C@@H]1C[N@@H+](CC(N)=O)C[C@@]2(CCOC2)O1 ZINC000373799483 171077316 /nfs/dbraw/zinc/07/73/16/171077316.db2.gz VUVKBLNRNRRIOM-MWLCHTKSSA-N 1 2 228.292 -0.258 20 0 BBADLO CC[C@@H]1C[N@H+](CC(N)=O)C[C@@]2(CCOC2)O1 ZINC000373799483 171077314 /nfs/dbraw/zinc/07/73/14/171077314.db2.gz VUVKBLNRNRRIOM-MWLCHTKSSA-N 1 2 228.292 -0.258 20 0 BBADLO CC[C@H]1C[N@@H+](CC(N)=O)C[C@]2(CCOC2)O1 ZINC000373799485 387396361 /nfs/dbraw/zinc/39/63/61/387396361.db2.gz VUVKBLNRNRRIOM-ONGXEEELSA-N 1 2 228.292 -0.258 20 0 BBADLO CC[C@H]1C[N@H+](CC(N)=O)C[C@]2(CCOC2)O1 ZINC000373799485 387396357 /nfs/dbraw/zinc/39/63/57/387396357.db2.gz VUVKBLNRNRRIOM-ONGXEEELSA-N 1 2 228.292 -0.258 20 0 BBADLO Cn1c[nH+]c2c1CCN(C(=O)c1cnnn1C)C2 ZINC000373951643 387410149 /nfs/dbraw/zinc/41/01/49/387410149.db2.gz UTPFVIHYLJQVHR-UHFFFAOYSA-N 1 2 246.274 -0.253 20 0 BBADLO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374063334 181254649 /nfs/dbraw/zinc/25/46/49/181254649.db2.gz BEMRPYMYQNUQIL-KNVOCYPGSA-N 1 2 213.237 -0.956 20 0 BBADLO NC(=O)NC(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374063334 181254646 /nfs/dbraw/zinc/25/46/46/181254646.db2.gz BEMRPYMYQNUQIL-KNVOCYPGSA-N 1 2 213.237 -0.956 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374071394 173287023 /nfs/dbraw/zinc/28/70/23/173287023.db2.gz YZKAUVUYCCZXGG-OCAPTIKFSA-N 1 2 227.264 -0.695 20 0 BBADLO CNC(=O)NC(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374071394 173287022 /nfs/dbraw/zinc/28/70/22/173287022.db2.gz YZKAUVUYCCZXGG-OCAPTIKFSA-N 1 2 227.264 -0.695 20 0 BBADLO O=C(C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N1CCNC1=O ZINC000374091848 387419597 /nfs/dbraw/zinc/41/95/97/387419597.db2.gz GKBBHAOJFUDGRR-DTORHVGOSA-N 1 2 239.275 -0.599 20 0 BBADLO O=C(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)N1CCNC1=O ZINC000374091848 387419595 /nfs/dbraw/zinc/41/95/95/387419595.db2.gz GKBBHAOJFUDGRR-DTORHVGOSA-N 1 2 239.275 -0.599 20 0 BBADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374094265 388484066 /nfs/dbraw/zinc/48/40/66/388484066.db2.gz VUPJKVXLGVLYFQ-BIIVOSGPSA-N 1 2 227.264 -0.567 20 0 BBADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374094265 388484063 /nfs/dbraw/zinc/48/40/63/388484063.db2.gz VUPJKVXLGVLYFQ-BIIVOSGPSA-N 1 2 227.264 -0.567 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374094270 388462582 /nfs/dbraw/zinc/46/25/82/388462582.db2.gz VUPJKVXLGVLYFQ-PRJMDXOYSA-N 1 2 227.264 -0.567 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374094270 388462580 /nfs/dbraw/zinc/46/25/80/388462580.db2.gz VUPJKVXLGVLYFQ-PRJMDXOYSA-N 1 2 227.264 -0.567 20 0 BBADLO CS(=O)(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374103526 387421487 /nfs/dbraw/zinc/42/14/87/387421487.db2.gz AKLMOBKVGYSBMB-DTORHVGOSA-N 1 2 234.321 -0.601 20 0 BBADLO CS(=O)(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374103526 387421479 /nfs/dbraw/zinc/42/14/79/387421479.db2.gz AKLMOBKVGYSBMB-DTORHVGOSA-N 1 2 234.321 -0.601 20 0 BBADLO O=C1CCC(=O)N1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374104891 387419723 /nfs/dbraw/zinc/41/97/23/387419723.db2.gz 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172365601 /nfs/dbraw/zinc/36/56/01/172365601.db2.gz HWPBBMOXLILNKD-QMMMGPOBSA-N 1 2 227.264 -0.789 20 0 BBADLO CN(C)C(=O)C[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000374557752 172365597 /nfs/dbraw/zinc/36/55/97/172365597.db2.gz HWPBBMOXLILNKD-QMMMGPOBSA-N 1 2 227.264 -0.789 20 0 BBADLO COC(=O)[C@H]1C[N@@H+](CCOCCO)C[C@@H](C)O1 ZINC000374576967 387470803 /nfs/dbraw/zinc/47/08/03/387470803.db2.gz DBTRUUIJKIYYOM-NXEZZACHSA-N 1 2 247.291 -0.742 20 0 BBADLO COC(=O)[C@H]1C[N@H+](CCOCCO)C[C@@H](C)O1 ZINC000374576967 387470799 /nfs/dbraw/zinc/47/07/99/387470799.db2.gz DBTRUUIJKIYYOM-NXEZZACHSA-N 1 2 247.291 -0.742 20 0 BBADLO COC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000374624500 387473848 /nfs/dbraw/zinc/47/38/48/387473848.db2.gz ZITAYHKWWLPYDX-RKDXNWHRSA-N 1 2 245.275 -0.188 20 0 BBADLO COC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000374624500 387473843 /nfs/dbraw/zinc/47/38/43/387473843.db2.gz ZITAYHKWWLPYDX-RKDXNWHRSA-N 1 2 245.275 -0.188 20 0 BBADLO C[N@H+]1CCO[C@H](CNc2cncc3nncn32)C1 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182220602 /nfs/dbraw/zinc/22/06/02/182220602.db2.gz RIIBFFQAMGYPIW-JGVFFNPUSA-N 1 2 234.246 -0.129 20 0 BBADLO O=C(NC[C@H](O)C1CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000375409267 182232829 /nfs/dbraw/zinc/23/28/29/182232829.db2.gz RIIBFFQAMGYPIW-SFYZADRCSA-N 1 2 234.246 -0.129 20 0 BBADLO O=C(NC[C@H](O)C1CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000375409268 182233171 /nfs/dbraw/zinc/23/31/71/182233171.db2.gz RIIBFFQAMGYPIW-YUMQZZPRSA-N 1 2 234.246 -0.129 20 0 BBADLO CC(=O)N1CC(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000375422150 387539026 /nfs/dbraw/zinc/53/90/26/387539026.db2.gz QODPHPGNVJUVSJ-MRVPVSSYSA-N 1 2 247.245 -0.670 20 0 BBADLO CC(=O)N1CC(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000375422151 387539143 /nfs/dbraw/zinc/53/91/43/387539143.db2.gz QODPHPGNVJUVSJ-QMMMGPOBSA-N 1 2 247.245 -0.670 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000375503207 177055398 /nfs/dbraw/zinc/05/53/98/177055398.db2.gz ZVKIFYBENGJXKM-HTQZYQBOSA-N 1 2 223.280 -0.272 20 0 BBADLO 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MDZUBMIYUUICTL-UWVGGRQHSA-N 1 2 228.292 -0.700 20 0 BBADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CO ZINC000376221257 177328159 /nfs/dbraw/zinc/32/81/59/177328159.db2.gz MDZUBMIYUUICTL-VHSXEESVSA-N 1 2 228.292 -0.700 20 0 BBADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CO ZINC000376221258 387614586 /nfs/dbraw/zinc/61/45/86/387614586.db2.gz MDZUBMIYUUICTL-ZJUUUORDSA-N 1 2 228.292 -0.700 20 0 BBADLO CCN(C)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000376247016 387614747 /nfs/dbraw/zinc/61/47/47/387614747.db2.gz JIHKFLMSIFTZTD-UHFFFAOYSA-N 1 2 242.323 -0.449 20 0 BBADLO CCN(C)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000376247016 387614742 /nfs/dbraw/zinc/61/47/42/387614742.db2.gz JIHKFLMSIFTZTD-UHFFFAOYSA-N 1 2 242.323 -0.449 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)CCC(N)=O ZINC000376262228 170000770 /nfs/dbraw/zinc/00/07/70/170000770.db2.gz NEXUJSWQBAUVCY-SECBINFHSA-N 1 2 243.307 -0.959 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)CCC(N)=O ZINC000376262228 170000768 /nfs/dbraw/zinc/00/07/68/170000768.db2.gz NEXUJSWQBAUVCY-SECBINFHSA-N 1 2 243.307 -0.959 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)CCC(N)=O ZINC000376262229 170001918 /nfs/dbraw/zinc/00/19/18/170001918.db2.gz NEXUJSWQBAUVCY-VIFPVBQESA-N 1 2 243.307 -0.959 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)CCC(N)=O ZINC000376262229 170001916 /nfs/dbraw/zinc/00/19/16/170001916.db2.gz NEXUJSWQBAUVCY-VIFPVBQESA-N 1 2 243.307 -0.959 20 0 BBADLO O=C(N1CC(O)C1)C1([NH+]2CCOCC2)CCC1 ZINC000376265851 182079451 /nfs/dbraw/zinc/07/94/51/182079451.db2.gz MQHGCQBKVOTVNJ-UHFFFAOYSA-N 1 2 240.303 -0.556 20 0 BBADLO C[N@H+]1CCO[C@H](CNC(=O)C2(C)COC2)C1 ZINC000376269060 173107670 /nfs/dbraw/zinc/10/76/70/173107670.db2.gz XSDFKQBBRNGSBS-SECBINFHSA-N 1 2 228.292 -0.530 20 0 BBADLO C[N@@H+]1CCO[C@H](CNC(=O)C2(C)COC2)C1 ZINC000376269060 173107668 /nfs/dbraw/zinc/10/76/68/173107668.db2.gz XSDFKQBBRNGSBS-SECBINFHSA-N 1 2 228.292 -0.530 20 0 BBADLO C[N@H+]1CCO[C@@H](CNC(=O)C2(C)COC2)C1 ZINC000376269061 173101535 /nfs/dbraw/zinc/10/15/35/173101535.db2.gz XSDFKQBBRNGSBS-VIFPVBQESA-N 1 2 228.292 -0.530 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNC(=O)C2(C)COC2)C1 ZINC000376269061 173101534 /nfs/dbraw/zinc/10/15/34/173101534.db2.gz XSDFKQBBRNGSBS-VIFPVBQESA-N 1 2 228.292 -0.530 20 0 BBADLO COC(=O)[C@@H](C)[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000376383209 387627519 /nfs/dbraw/zinc/62/75/19/387627519.db2.gz GEUVFNZSJGHUSM-HLTSFMKQSA-N 1 2 242.275 -0.022 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000376383209 387627514 /nfs/dbraw/zinc/62/75/14/387627514.db2.gz GEUVFNZSJGHUSM-HLTSFMKQSA-N 1 2 242.275 -0.022 20 0 BBADLO COC(=O)[C@H](C)[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000376383219 387625621 /nfs/dbraw/zinc/62/56/21/387625621.db2.gz GEUVFNZSJGHUSM-YIZRAAEISA-N 1 2 242.275 -0.022 20 0 BBADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000376383219 387625615 /nfs/dbraw/zinc/62/56/15/387625615.db2.gz GEUVFNZSJGHUSM-YIZRAAEISA-N 1 2 242.275 -0.022 20 0 BBADLO CCNC(=O)C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000376514906 170059819 /nfs/dbraw/zinc/05/98/19/170059819.db2.gz LGSMPUYJECSYEC-JTQLQIEISA-N 1 2 218.272 -0.081 20 0 BBADLO CCNC(=O)C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000376514906 170059818 /nfs/dbraw/zinc/05/98/18/170059818.db2.gz LGSMPUYJECSYEC-JTQLQIEISA-N 1 2 218.272 -0.081 20 0 BBADLO CCNC(=O)C[N@H+]1CCC[C@](F)(CO)C1 ZINC000376514907 170059411 /nfs/dbraw/zinc/05/94/11/170059411.db2.gz LGSMPUYJECSYEC-SNVBAGLBSA-N 1 2 218.272 -0.081 20 0 BBADLO CCNC(=O)C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000376514907 170059410 /nfs/dbraw/zinc/05/94/10/170059410.db2.gz LGSMPUYJECSYEC-SNVBAGLBSA-N 1 2 218.272 -0.081 20 0 BBADLO COCC[N@H+]1CCOC[C@H]1CC(=O)OC ZINC000376543466 174312340 /nfs/dbraw/zinc/31/23/40/174312340.db2.gz VCNKAYIIUBSHEU-SECBINFHSA-N 1 2 217.265 -0.103 20 0 BBADLO COCC[N@@H+]1CCOC[C@H]1CC(=O)OC ZINC000376543466 174312338 /nfs/dbraw/zinc/31/23/38/174312338.db2.gz VCNKAYIIUBSHEU-SECBINFHSA-N 1 2 217.265 -0.103 20 0 BBADLO COCC[N@H+]1CCOC[C@@H]1CC(=O)OC ZINC000376543467 174312230 /nfs/dbraw/zinc/31/22/30/174312230.db2.gz VCNKAYIIUBSHEU-VIFPVBQESA-N 1 2 217.265 -0.103 20 0 BBADLO COCC[N@@H+]1CCOC[C@@H]1CC(=O)OC ZINC000376543467 174312229 /nfs/dbraw/zinc/31/22/29/174312229.db2.gz VCNKAYIIUBSHEU-VIFPVBQESA-N 1 2 217.265 -0.103 20 0 BBADLO COC(=O)C[C@H]1COCC[N@H+]1CCOCCO ZINC000376545689 387650636 /nfs/dbraw/zinc/65/06/36/387650636.db2.gz LJASYYFTRVCVDG-JTQLQIEISA-N 1 2 247.291 -0.741 20 0 BBADLO COC(=O)C[C@H]1COCC[N@@H+]1CCOCCO ZINC000376545689 387650634 /nfs/dbraw/zinc/65/06/34/387650634.db2.gz LJASYYFTRVCVDG-JTQLQIEISA-N 1 2 247.291 -0.741 20 0 BBADLO COC(=O)C[C@@H]1COCC[N@H+]1CCOCCO ZINC000376545690 387650872 /nfs/dbraw/zinc/65/08/72/387650872.db2.gz LJASYYFTRVCVDG-SNVBAGLBSA-N 1 2 247.291 -0.741 20 0 BBADLO COC(=O)C[C@@H]1COCC[N@@H+]1CCOCCO ZINC000376545690 387650869 /nfs/dbraw/zinc/65/08/69/387650869.db2.gz LJASYYFTRVCVDG-SNVBAGLBSA-N 1 2 247.291 -0.741 20 0 BBADLO COC(=O)C[C@@H]1COCC[N@H+]1CCO ZINC000376548353 387650655 /nfs/dbraw/zinc/65/06/55/387650655.db2.gz XCRFXSBCTYWQFS-MRVPVSSYSA-N 1 2 203.238 -0.757 20 0 BBADLO COC(=O)C[C@@H]1COCC[N@@H+]1CCO ZINC000376548353 387650650 /nfs/dbraw/zinc/65/06/50/387650650.db2.gz XCRFXSBCTYWQFS-MRVPVSSYSA-N 1 2 203.238 -0.757 20 0 BBADLO COC(=O)C[C@H]1COCC[N@H+]1CCO ZINC000376548356 387650428 /nfs/dbraw/zinc/65/04/28/387650428.db2.gz XCRFXSBCTYWQFS-QMMMGPOBSA-N 1 2 203.238 -0.757 20 0 BBADLO COC(=O)C[C@H]1COCC[N@@H+]1CCO ZINC000376548356 387650424 /nfs/dbraw/zinc/65/04/24/387650424.db2.gz XCRFXSBCTYWQFS-QMMMGPOBSA-N 1 2 203.238 -0.757 20 0 BBADLO Cn1nncc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000376749670 387667516 /nfs/dbraw/zinc/66/75/16/387667516.db2.gz HWBKPZOBAYNKHQ-SSDOTTSWSA-N 1 2 246.274 -0.175 20 0 BBADLO Cn1nncc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000376749670 387667513 /nfs/dbraw/zinc/66/75/13/387667513.db2.gz HWBKPZOBAYNKHQ-SSDOTTSWSA-N 1 2 246.274 -0.175 20 0 BBADLO Cn1nncc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000376749674 387666964 /nfs/dbraw/zinc/66/69/64/387666964.db2.gz HWBKPZOBAYNKHQ-ZETCQYMHSA-N 1 2 246.274 -0.175 20 0 BBADLO Cn1nncc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000376749674 387666961 /nfs/dbraw/zinc/66/69/61/387666961.db2.gz HWBKPZOBAYNKHQ-ZETCQYMHSA-N 1 2 246.274 -0.175 20 0 BBADLO O=C(NCCCO)C1([NH+]2CCOCC2)CCC1 ZINC000376808771 182169760 /nfs/dbraw/zinc/16/97/60/182169760.db2.gz ZCNNWGLMKBJMAL-UHFFFAOYSA-N 1 2 242.319 -0.260 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCCC(N)=O ZINC000376834239 170001775 /nfs/dbraw/zinc/00/17/75/170001775.db2.gz WTIZLSYOUJVJNF-SECBINFHSA-N 1 2 243.307 -0.911 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCCC(N)=O ZINC000376834239 170001773 /nfs/dbraw/zinc/00/17/73/170001773.db2.gz WTIZLSYOUJVJNF-SECBINFHSA-N 1 2 243.307 -0.911 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCCC(N)=O ZINC000376834242 170002213 /nfs/dbraw/zinc/00/22/13/170002213.db2.gz WTIZLSYOUJVJNF-VIFPVBQESA-N 1 2 243.307 -0.911 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCCC(N)=O ZINC000376834242 170002212 /nfs/dbraw/zinc/00/22/12/170002212.db2.gz WTIZLSYOUJVJNF-VIFPVBQESA-N 1 2 243.307 -0.911 20 0 BBADLO Cn1ccc(N2CC[C@@H]([NH2+]C3COC3)C2=O)n1 ZINC000376883782 387676668 /nfs/dbraw/zinc/67/66/68/387676668.db2.gz CUZDQPSUWWNPGX-SECBINFHSA-N 1 2 236.275 -0.486 20 0 BBADLO Cn1ccc(N2CC[C@H]([NH2+]C3COC3)C2=O)n1 ZINC000376883783 387676419 /nfs/dbraw/zinc/67/64/19/387676419.db2.gz CUZDQPSUWWNPGX-VIFPVBQESA-N 1 2 236.275 -0.486 20 0 BBADLO O=C(NN1CN=NC1=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000376958518 387681877 /nfs/dbraw/zinc/68/18/77/387681877.db2.gz QUQKGMVPWPLYPD-SSDOTTSWSA-N 1 2 248.246 -0.487 20 0 BBADLO O=C(NN1CN=NC1=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000376958519 387680173 /nfs/dbraw/zinc/68/01/73/387680173.db2.gz QUQKGMVPWPLYPD-ZETCQYMHSA-N 1 2 248.246 -0.487 20 0 BBADLO CN(Cc1cn2c([nH+]1)CCCC2)S(N)(=O)=O ZINC000377294963 387707856 /nfs/dbraw/zinc/70/78/56/387707856.db2.gz WWPQBSCTNHFEBG-UHFFFAOYSA-N 1 2 244.320 -0.145 20 0 BBADLO CNC(=O)NC(=O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000377510473 173287012 /nfs/dbraw/zinc/28/70/12/173287012.db2.gz GIEHEGIHDWDSJG-DTWKUNHWSA-N 1 2 241.291 -0.305 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000377510473 173287011 /nfs/dbraw/zinc/28/70/11/173287011.db2.gz GIEHEGIHDWDSJG-DTWKUNHWSA-N 1 2 241.291 -0.305 20 0 BBADLO CNC(=O)NC(=O)C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000377510474 173287431 /nfs/dbraw/zinc/28/74/31/173287431.db2.gz GIEHEGIHDWDSJG-IUCAKERBSA-N 1 2 241.291 -0.305 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000377510474 173287430 /nfs/dbraw/zinc/28/74/30/173287430.db2.gz GIEHEGIHDWDSJG-IUCAKERBSA-N 1 2 241.291 -0.305 20 0 BBADLO CNC(=O)NC(=O)C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000377510475 173287400 /nfs/dbraw/zinc/28/74/00/173287400.db2.gz GIEHEGIHDWDSJG-RKDXNWHRSA-N 1 2 241.291 -0.305 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000377510475 173287399 /nfs/dbraw/zinc/28/73/99/173287399.db2.gz GIEHEGIHDWDSJG-RKDXNWHRSA-N 1 2 241.291 -0.305 20 0 BBADLO Cc1cnn(CC[N@H+]2CCO[C@H](C(N)=O)C2)c1 ZINC000377564446 387727598 /nfs/dbraw/zinc/72/75/98/387727598.db2.gz IHVQFLKLRSWFKY-JTQLQIEISA-N 1 2 238.291 -0.622 20 0 BBADLO Cc1cnn(CC[N@@H+]2CCO[C@H](C(N)=O)C2)c1 ZINC000377564446 387727594 /nfs/dbraw/zinc/72/75/94/387727594.db2.gz IHVQFLKLRSWFKY-JTQLQIEISA-N 1 2 238.291 -0.622 20 0 BBADLO Cc1cnn(CC[N@H+]2CCO[C@@H](C(N)=O)C2)c1 ZINC000377564447 387727097 /nfs/dbraw/zinc/72/70/97/387727097.db2.gz IHVQFLKLRSWFKY-SNVBAGLBSA-N 1 2 238.291 -0.622 20 0 BBADLO Cc1cnn(CC[N@@H+]2CCO[C@@H](C(N)=O)C2)c1 ZINC000377564447 387727093 /nfs/dbraw/zinc/72/70/93/387727093.db2.gz IHVQFLKLRSWFKY-SNVBAGLBSA-N 1 2 238.291 -0.622 20 0 BBADLO Cn1ncc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)n1 ZINC000377655645 387737486 /nfs/dbraw/zinc/73/74/86/387737486.db2.gz UUQZCRDQSRRXBN-GDPRMGEGSA-N 1 2 249.318 -0.099 20 0 BBADLO Cn1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)n1 ZINC000377655645 387737478 /nfs/dbraw/zinc/73/74/78/387737478.db2.gz UUQZCRDQSRRXBN-GDPRMGEGSA-N 1 2 249.318 -0.099 20 0 BBADLO Cn1ncc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)n1 ZINC000377655650 387735097 /nfs/dbraw/zinc/73/50/97/387735097.db2.gz UUQZCRDQSRRXBN-INTQDDNPSA-N 1 2 249.318 -0.099 20 0 BBADLO Cn1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)n1 ZINC000377655650 387735094 /nfs/dbraw/zinc/73/50/94/387735094.db2.gz UUQZCRDQSRRXBN-INTQDDNPSA-N 1 2 249.318 -0.099 20 0 BBADLO Cn1ncc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)n1 ZINC000377655652 180814949 /nfs/dbraw/zinc/81/49/49/180814949.db2.gz UUQZCRDQSRRXBN-JMJZKYOTSA-N 1 2 249.318 -0.099 20 0 BBADLO Cn1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)n1 ZINC000377655652 180814946 /nfs/dbraw/zinc/81/49/46/180814946.db2.gz UUQZCRDQSRRXBN-JMJZKYOTSA-N 1 2 249.318 -0.099 20 0 BBADLO Cn1ncc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)n1 ZINC000377655654 387736268 /nfs/dbraw/zinc/73/62/68/387736268.db2.gz UUQZCRDQSRRXBN-LSJOCFKGSA-N 1 2 249.318 -0.099 20 0 BBADLO Cn1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)n1 ZINC000377655654 387736264 /nfs/dbraw/zinc/73/62/64/387736264.db2.gz UUQZCRDQSRRXBN-LSJOCFKGSA-N 1 2 249.318 -0.099 20 0 BBADLO COC(=O)C[N@H+]1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000377656012 387737712 /nfs/dbraw/zinc/73/77/12/387737712.db2.gz UYWZRTLJBKEJGQ-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO COC(=O)C[N@@H+]1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000377656012 387737707 /nfs/dbraw/zinc/73/77/07/387737707.db2.gz UYWZRTLJBKEJGQ-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO CCc1nnc(C[N@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)[nH]1 ZINC000377658371 357236632 /nfs/dbraw/zinc/23/66/32/357236632.db2.gz XFJGYTRBBCLQSR-BDAKNGLRSA-N 1 2 249.318 -0.065 20 0 BBADLO CCc1nnc(C[N@@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)[nH]1 ZINC000377658371 357236624 /nfs/dbraw/zinc/23/66/24/357236624.db2.gz XFJGYTRBBCLQSR-BDAKNGLRSA-N 1 2 249.318 -0.065 20 0 BBADLO CCc1nnc(C[N@H+]2CC[C@H]3C(=O)NC[C@H]3C2)[nH]1 ZINC000377658379 357236326 /nfs/dbraw/zinc/23/63/26/357236326.db2.gz XFJGYTRBBCLQSR-DTWKUNHWSA-N 1 2 249.318 -0.065 20 0 BBADLO CCc1nnc(C[N@@H+]2CC[C@H]3C(=O)NC[C@H]3C2)[nH]1 ZINC000377658379 357236325 /nfs/dbraw/zinc/23/63/25/357236325.db2.gz XFJGYTRBBCLQSR-DTWKUNHWSA-N 1 2 249.318 -0.065 20 0 BBADLO CCc1nnc(C[N@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)[nH]1 ZINC000377658381 357236729 /nfs/dbraw/zinc/23/67/29/357236729.db2.gz XFJGYTRBBCLQSR-IUCAKERBSA-N 1 2 249.318 -0.065 20 0 BBADLO CCc1nnc(C[N@@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)[nH]1 ZINC000377658381 357236723 /nfs/dbraw/zinc/23/67/23/357236723.db2.gz XFJGYTRBBCLQSR-IUCAKERBSA-N 1 2 249.318 -0.065 20 0 BBADLO CCc1nnc(C[N@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)[nH]1 ZINC000377658382 357236672 /nfs/dbraw/zinc/23/66/72/357236672.db2.gz XFJGYTRBBCLQSR-RKDXNWHRSA-N 1 2 249.318 -0.065 20 0 BBADLO CCc1nnc(C[N@@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)[nH]1 ZINC000377658382 357236668 /nfs/dbraw/zinc/23/66/68/357236668.db2.gz XFJGYTRBBCLQSR-RKDXNWHRSA-N 1 2 249.318 -0.065 20 0 BBADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1S(C)(=O)=O ZINC000377854493 387753650 /nfs/dbraw/zinc/75/36/50/387753650.db2.gz GLDYWYHVLJLPFM-NXEZZACHSA-N 1 2 248.348 -0.259 20 0 BBADLO NC(=O)CNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000377957956 181234371 /nfs/dbraw/zinc/23/43/71/181234371.db2.gz PORMMQVNRDNQAJ-LLVKDONJSA-N 1 2 247.298 -0.138 20 0 BBADLO NC(=O)CNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000377957956 181234370 /nfs/dbraw/zinc/23/43/70/181234370.db2.gz PORMMQVNRDNQAJ-LLVKDONJSA-N 1 2 247.298 -0.138 20 0 BBADLO NC(=O)CNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000377957958 181234190 /nfs/dbraw/zinc/23/41/90/181234190.db2.gz PORMMQVNRDNQAJ-NSHDSACASA-N 1 2 247.298 -0.138 20 0 BBADLO NC(=O)CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000377957958 181234188 /nfs/dbraw/zinc/23/41/88/181234188.db2.gz PORMMQVNRDNQAJ-NSHDSACASA-N 1 2 247.298 -0.138 20 0 BBADLO CN(C)c1ncnc2c1C[N@@H+](CCO)CC2 ZINC000378007036 387761338 /nfs/dbraw/zinc/76/13/38/387761338.db2.gz TYSRZHUPVZWPAT-UHFFFAOYSA-N 1 2 222.292 -0.107 20 0 BBADLO CN(C)c1ncnc2c1C[N@H+](CCO)CC2 ZINC000378007036 387761334 /nfs/dbraw/zinc/76/13/34/387761334.db2.gz TYSRZHUPVZWPAT-UHFFFAOYSA-N 1 2 222.292 -0.107 20 0 BBADLO O=C(CCc1nnc[nH]1)N1CCn2c[nH+]cc2C1 ZINC000378087505 387763310 /nfs/dbraw/zinc/76/33/10/387763310.db2.gz BHFQYNWEFXQCLN-UHFFFAOYSA-N 1 2 246.274 -0.024 20 0 BBADLO O=C([C@@H]1CCNC(=O)C1)N1CCn2c[nH+]cc2C1 ZINC000378094107 387766150 /nfs/dbraw/zinc/76/61/50/387766150.db2.gz IOYKKARBOOATQP-SECBINFHSA-N 1 2 248.286 -0.249 20 0 BBADLO O=C([C@H]1CCNC(=O)C1)N1CCn2c[nH+]cc2C1 ZINC000378094109 387764801 /nfs/dbraw/zinc/76/48/01/387764801.db2.gz IOYKKARBOOATQP-VIFPVBQESA-N 1 2 248.286 -0.249 20 0 BBADLO CCN(C)C(=O)C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000378134676 387767524 /nfs/dbraw/zinc/76/75/24/387767524.db2.gz PGRBHMSVCHJDHD-BDAKNGLRSA-N 1 2 243.307 -0.961 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000378134676 387767519 /nfs/dbraw/zinc/76/75/19/387767519.db2.gz PGRBHMSVCHJDHD-BDAKNGLRSA-N 1 2 243.307 -0.961 20 0 BBADLO CCN(C)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000378134681 387768023 /nfs/dbraw/zinc/76/80/23/387768023.db2.gz PGRBHMSVCHJDHD-RKDXNWHRSA-N 1 2 243.307 -0.961 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000378134681 387768019 /nfs/dbraw/zinc/76/80/19/387768019.db2.gz PGRBHMSVCHJDHD-RKDXNWHRSA-N 1 2 243.307 -0.961 20 0 BBADLO CN1CC[C@H]([N@H+]2CCN3C(=O)OC[C@H]3C2)C1=O ZINC000378151928 173149714 /nfs/dbraw/zinc/14/97/14/173149714.db2.gz FZNLBLKPWQAQJH-BDAKNGLRSA-N 1 2 239.275 -0.647 20 0 BBADLO CN1CC[C@H]([N@@H+]2CCN3C(=O)OC[C@H]3C2)C1=O ZINC000378151928 173149713 /nfs/dbraw/zinc/14/97/13/173149713.db2.gz FZNLBLKPWQAQJH-BDAKNGLRSA-N 1 2 239.275 -0.647 20 0 BBADLO CN1CC[C@@H]([N@H+]2CCN3C(=O)OC[C@@H]3C2)C1=O ZINC000378151930 173119430 /nfs/dbraw/zinc/11/94/30/173119430.db2.gz FZNLBLKPWQAQJH-DTWKUNHWSA-N 1 2 239.275 -0.647 20 0 BBADLO CN1CC[C@@H]([N@@H+]2CCN3C(=O)OC[C@@H]3C2)C1=O ZINC000378151930 173119428 /nfs/dbraw/zinc/11/94/28/173119428.db2.gz FZNLBLKPWQAQJH-DTWKUNHWSA-N 1 2 239.275 -0.647 20 0 BBADLO CN1CC[C@H]([N@H+]2CCN3C(=O)OC[C@@H]3C2)C1=O ZINC000378151932 173149891 /nfs/dbraw/zinc/14/98/91/173149891.db2.gz FZNLBLKPWQAQJH-IUCAKERBSA-N 1 2 239.275 -0.647 20 0 BBADLO CN1CC[C@H]([N@@H+]2CCN3C(=O)OC[C@@H]3C2)C1=O ZINC000378151932 173149888 /nfs/dbraw/zinc/14/98/88/173149888.db2.gz FZNLBLKPWQAQJH-IUCAKERBSA-N 1 2 239.275 -0.647 20 0 BBADLO CN1CC[C@@H]([N@H+]2CCN3C(=O)OC[C@H]3C2)C1=O ZINC000378151934 173120651 /nfs/dbraw/zinc/12/06/51/173120651.db2.gz FZNLBLKPWQAQJH-RKDXNWHRSA-N 1 2 239.275 -0.647 20 0 BBADLO CN1CC[C@@H]([N@@H+]2CCN3C(=O)OC[C@H]3C2)C1=O ZINC000378151934 173120650 /nfs/dbraw/zinc/12/06/50/173120650.db2.gz FZNLBLKPWQAQJH-RKDXNWHRSA-N 1 2 239.275 -0.647 20 0 BBADLO CC(=O)NCC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378197979 387770261 /nfs/dbraw/zinc/77/02/61/387770261.db2.gz DXUAAAULOHHPMQ-MRVPVSSYSA-N 1 2 236.275 -0.481 20 0 BBADLO CC(=O)NCC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378197979 387770257 /nfs/dbraw/zinc/77/02/57/387770257.db2.gz DXUAAAULOHHPMQ-MRVPVSSYSA-N 1 2 236.275 -0.481 20 0 BBADLO CC(=O)NCC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378197989 387772339 /nfs/dbraw/zinc/77/23/39/387772339.db2.gz DXUAAAULOHHPMQ-QMMMGPOBSA-N 1 2 236.275 -0.481 20 0 BBADLO CC(=O)NCC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378197989 387772335 /nfs/dbraw/zinc/77/23/35/387772335.db2.gz DXUAAAULOHHPMQ-QMMMGPOBSA-N 1 2 236.275 -0.481 20 0 BBADLO C[C@H]1COCC[N@@H+](CCS(C)(=O)=O)C1 ZINC000378284163 177288844 /nfs/dbraw/zinc/28/88/44/177288844.db2.gz FNOWGNOIXWBKIX-SECBINFHSA-N 1 2 221.322 -0.001 20 0 BBADLO C[C@H]1COCC[N@H+](CCS(C)(=O)=O)C1 ZINC000378284163 177288842 /nfs/dbraw/zinc/28/88/42/177288842.db2.gz FNOWGNOIXWBKIX-SECBINFHSA-N 1 2 221.322 -0.001 20 0 BBADLO C[C@@H]1COCC[N@@H+](CCS(C)(=O)=O)C1 ZINC000378284164 176333174 /nfs/dbraw/zinc/33/31/74/176333174.db2.gz FNOWGNOIXWBKIX-VIFPVBQESA-N 1 2 221.322 -0.001 20 0 BBADLO C[C@@H]1COCC[N@H+](CCS(C)(=O)=O)C1 ZINC000378284164 176333173 /nfs/dbraw/zinc/33/31/73/176333173.db2.gz FNOWGNOIXWBKIX-VIFPVBQESA-N 1 2 221.322 -0.001 20 0 BBADLO C[C@H]1COCC[N@@H+](Cc2nnnn2C)C1 ZINC000378284505 177288999 /nfs/dbraw/zinc/28/89/99/177288999.db2.gz OLUOOQNGMHPZRE-MRVPVSSYSA-N 1 2 211.269 -0.322 20 0 BBADLO C[C@H]1COCC[N@H+](Cc2nnnn2C)C1 ZINC000378284505 177288998 /nfs/dbraw/zinc/28/89/98/177288998.db2.gz OLUOOQNGMHPZRE-MRVPVSSYSA-N 1 2 211.269 -0.322 20 0 BBADLO C[C@@H]1COCC[N@@H+](Cc2nnnn2C)C1 ZINC000378284514 176332707 /nfs/dbraw/zinc/33/27/07/176332707.db2.gz OLUOOQNGMHPZRE-QMMMGPOBSA-N 1 2 211.269 -0.322 20 0 BBADLO C[C@@H]1COCC[N@H+](Cc2nnnn2C)C1 ZINC000378284514 176332706 /nfs/dbraw/zinc/33/27/06/176332706.db2.gz OLUOOQNGMHPZRE-QMMMGPOBSA-N 1 2 211.269 -0.322 20 0 BBADLO Cn1cc[nH+]c1[C@@H]1CCN(S(N)(=O)=O)C1 ZINC000378289839 387774423 /nfs/dbraw/zinc/77/44/23/387774423.db2.gz YXTFESUDCLXBSN-SSDOTTSWSA-N 1 2 230.293 -0.587 20 0 BBADLO Cn1cc[nH+]c1[C@H]1CCN(S(N)(=O)=O)C1 ZINC000378289840 387773779 /nfs/dbraw/zinc/77/37/79/387773779.db2.gz YXTFESUDCLXBSN-ZETCQYMHSA-N 1 2 230.293 -0.587 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCCO ZINC000378359543 170002196 /nfs/dbraw/zinc/00/21/96/170002196.db2.gz YUXYUMUKEYZVEY-SECBINFHSA-N 1 2 216.281 -0.794 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCCO ZINC000378359543 170002195 /nfs/dbraw/zinc/00/21/95/170002195.db2.gz YUXYUMUKEYZVEY-SECBINFHSA-N 1 2 216.281 -0.794 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCCO ZINC000378359547 170001476 /nfs/dbraw/zinc/00/14/76/170001476.db2.gz YUXYUMUKEYZVEY-VIFPVBQESA-N 1 2 216.281 -0.794 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCCO ZINC000378359547 170001474 /nfs/dbraw/zinc/00/14/74/170001474.db2.gz YUXYUMUKEYZVEY-VIFPVBQESA-N 1 2 216.281 -0.794 20 0 BBADLO O=C(NCCO)C1([NH+]2CCOCC2)CCC1 ZINC000378374552 182188592 /nfs/dbraw/zinc/18/85/92/182188592.db2.gz FHIOASKERFZOTP-UHFFFAOYSA-N 1 2 228.292 -0.650 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)CCO ZINC000378441181 170000536 /nfs/dbraw/zinc/00/05/36/170000536.db2.gz FKSONZHMGGJPIC-SECBINFHSA-N 1 2 216.281 -0.842 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)CCO ZINC000378441181 170000535 /nfs/dbraw/zinc/00/05/35/170000535.db2.gz FKSONZHMGGJPIC-SECBINFHSA-N 1 2 216.281 -0.842 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)CCO ZINC000378441196 170001702 /nfs/dbraw/zinc/00/17/02/170001702.db2.gz FKSONZHMGGJPIC-VIFPVBQESA-N 1 2 216.281 -0.842 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)CCO ZINC000378441196 170001701 /nfs/dbraw/zinc/00/17/01/170001701.db2.gz FKSONZHMGGJPIC-VIFPVBQESA-N 1 2 216.281 -0.842 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)CCCO ZINC000378446247 170001261 /nfs/dbraw/zinc/00/12/61/170001261.db2.gz YICVYCVPYKRXKU-GHMZBOCLSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)CCCO ZINC000378446247 170001259 /nfs/dbraw/zinc/00/12/59/170001259.db2.gz YICVYCVPYKRXKU-GHMZBOCLSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N[C@H](C)CCCO ZINC000378446248 187390392 /nfs/dbraw/zinc/39/03/92/187390392.db2.gz YICVYCVPYKRXKU-MNOVXSKESA-N 1 2 244.335 -0.016 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@H](C)CCCO ZINC000378446248 187390391 /nfs/dbraw/zinc/39/03/91/187390391.db2.gz YICVYCVPYKRXKU-MNOVXSKESA-N 1 2 244.335 -0.016 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N[C@@H](C)CCCO ZINC000378446249 170002171 /nfs/dbraw/zinc/00/21/71/170002171.db2.gz YICVYCVPYKRXKU-QWRGUYRKSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H](C)CCCO ZINC000378446249 170002169 /nfs/dbraw/zinc/00/21/69/170002169.db2.gz YICVYCVPYKRXKU-QWRGUYRKSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)CCCO ZINC000378446250 170001598 /nfs/dbraw/zinc/00/15/98/170001598.db2.gz YICVYCVPYKRXKU-WDEREUQCSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)CCCO ZINC000378446250 170001597 /nfs/dbraw/zinc/00/15/97/170001597.db2.gz YICVYCVPYKRXKU-WDEREUQCSA-N 1 2 244.335 -0.016 20 0 BBADLO Cc1nc(N)nc(N2CCC[C@@H](O)CC2)[nH+]1 ZINC000378795366 388504544 /nfs/dbraw/zinc/50/45/44/388504544.db2.gz QEVILBRTXKSJQX-MRVPVSSYSA-N 1 2 223.280 -0.056 20 0 BBADLO Cc1nc(N2CCC[C@@H](O)CC2)nc(N)[nH+]1 ZINC000378795366 388504541 /nfs/dbraw/zinc/50/45/41/388504541.db2.gz QEVILBRTXKSJQX-MRVPVSSYSA-N 1 2 223.280 -0.056 20 0 BBADLO Cc1nc(N)nc(N2CCC[C@H](O)CC2)[nH+]1 ZINC000378795368 388503750 /nfs/dbraw/zinc/50/37/50/388503750.db2.gz QEVILBRTXKSJQX-QMMMGPOBSA-N 1 2 223.280 -0.056 20 0 BBADLO Cc1nc(N2CCC[C@H](O)CC2)nc(N)[nH+]1 ZINC000378795368 388503749 /nfs/dbraw/zinc/50/37/49/388503749.db2.gz QEVILBRTXKSJQX-QMMMGPOBSA-N 1 2 223.280 -0.056 20 0 BBADLO Cn1ncc(C[NH2+]CC2(C)OCCO2)n1 ZINC000378865610 712364589 /nfs/dbraw/zinc/36/45/89/712364589.db2.gz ZTEHEYJCUZVBNW-UHFFFAOYSA-N 1 2 212.253 -0.332 20 0 BBADLO CC[NH+]1CC(NC(=O)c2ccc(=O)[nH]n2)C1 ZINC000379086243 712369188 /nfs/dbraw/zinc/36/91/88/712369188.db2.gz DWWWGPVGHUWSEO-UHFFFAOYSA-N 1 2 222.248 -0.384 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC000379090861 712369624 /nfs/dbraw/zinc/36/96/24/712369624.db2.gz ICYPPWYTAQWUAN-MRVPVSSYSA-N 1 2 225.292 -0.667 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC000379090862 712369255 /nfs/dbraw/zinc/36/92/55/712369255.db2.gz ICYPPWYTAQWUAN-QMMMGPOBSA-N 1 2 225.292 -0.667 20 0 BBADLO CCC[NH+]1CC(NC(=O)c2cn[nH]n2)C1 ZINC000379099487 712369338 /nfs/dbraw/zinc/36/93/38/712369338.db2.gz NFRWSQBMNZUAHQ-UHFFFAOYSA-N 1 2 209.253 -0.371 20 0 BBADLO CC[NH+]1CC(NC(=O)c2cnn(C)c2N)C1 ZINC000379101648 712369287 /nfs/dbraw/zinc/36/92/87/712369287.db2.gz FPDQPJBYNWUJPD-UHFFFAOYSA-N 1 2 223.280 -0.564 20 0 BBADLO CCOC(=O)/C=C\C[N@@H+](C)CC(N)=O ZINC000379340581 712375348 /nfs/dbraw/zinc/37/53/48/712375348.db2.gz LQWNWWZKKBSDEG-PLNGDYQASA-N 1 2 200.238 -0.477 20 0 BBADLO CCOC(=O)/C=C\C[N@H+](C)CC(N)=O ZINC000379340581 712375346 /nfs/dbraw/zinc/37/53/46/712375346.db2.gz LQWNWWZKKBSDEG-PLNGDYQASA-N 1 2 200.238 -0.477 20 0 BBADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1CCF ZINC000379370832 712378012 /nfs/dbraw/zinc/37/80/12/712378012.db2.gz GUYFHQRMCLIZEQ-SSDOTTSWSA-N 1 2 210.274 -0.291 20 0 BBADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCF ZINC000379370832 712378009 /nfs/dbraw/zinc/37/80/09/712378009.db2.gz GUYFHQRMCLIZEQ-SSDOTTSWSA-N 1 2 210.274 -0.291 20 0 BBADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CCF ZINC000379370833 712378037 /nfs/dbraw/zinc/37/80/37/712378037.db2.gz GUYFHQRMCLIZEQ-ZETCQYMHSA-N 1 2 210.274 -0.291 20 0 BBADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCF ZINC000379370833 712378035 /nfs/dbraw/zinc/37/80/35/712378035.db2.gz GUYFHQRMCLIZEQ-ZETCQYMHSA-N 1 2 210.274 -0.291 20 0 BBADLO C[C@H]1C[N@@H+](C)CC1=NNS(C)(=O)=O ZINC000379391120 712381660 /nfs/dbraw/zinc/38/16/60/712381660.db2.gz OXUXFDCRKHAXIA-LURJTMIESA-N 1 2 205.283 -0.527 20 0 BBADLO C[C@H]1C[N@H+](C)CC1=NNS(C)(=O)=O ZINC000379391120 712381658 /nfs/dbraw/zinc/38/16/58/712381658.db2.gz OXUXFDCRKHAXIA-LURJTMIESA-N 1 2 205.283 -0.527 20 0 BBADLO C[C@@H]1C[N@@H+](C)CC1=NNS(C)(=O)=O ZINC000379391121 711481300 /nfs/dbraw/zinc/48/13/00/711481300.db2.gz OXUXFDCRKHAXIA-ZCFIWIBFSA-N 1 2 205.283 -0.527 20 0 BBADLO C[C@@H]1C[N@H+](C)CC1=NNS(C)(=O)=O ZINC000379391121 711481298 /nfs/dbraw/zinc/48/12/98/711481298.db2.gz OXUXFDCRKHAXIA-ZCFIWIBFSA-N 1 2 205.283 -0.527 20 0 BBADLO C[N@@H+](CCS(C)(=O)=O)C1CC(O)C1 ZINC000379411632 712383158 /nfs/dbraw/zinc/38/31/58/712383158.db2.gz IPYIMDBOPNIRKK-UHFFFAOYSA-N 1 2 207.295 -0.514 20 0 BBADLO C[N@H+](CCS(C)(=O)=O)C1CC(O)C1 ZINC000379411632 712383157 /nfs/dbraw/zinc/38/31/57/712383157.db2.gz IPYIMDBOPNIRKK-UHFFFAOYSA-N 1 2 207.295 -0.514 20 0 BBADLO COCC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000379417148 360857073 /nfs/dbraw/zinc/85/70/73/360857073.db2.gz TZQXSNMPKYSUGU-SSDOTTSWSA-N 1 2 204.295 -0.465 20 0 BBADLO COCC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000379417148 360857069 /nfs/dbraw/zinc/85/70/69/360857069.db2.gz TZQXSNMPKYSUGU-SSDOTTSWSA-N 1 2 204.295 -0.465 20 0 BBADLO COCC[N@H+]1CCSC[C@H]1C(N)=O ZINC000379417149 360856734 /nfs/dbraw/zinc/85/67/34/360856734.db2.gz TZQXSNMPKYSUGU-ZETCQYMHSA-N 1 2 204.295 -0.465 20 0 BBADLO COCC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000379417149 360856731 /nfs/dbraw/zinc/85/67/31/360856731.db2.gz TZQXSNMPKYSUGU-ZETCQYMHSA-N 1 2 204.295 -0.465 20 0 BBADLO C[C@H]1[NH2+]CCN(S(=O)(=O)c2ncc[nH]2)[C@@H]1C ZINC000379459159 360931931 /nfs/dbraw/zinc/93/19/31/360931931.db2.gz UJYDGOLJIVNGNC-HTQZYQBOSA-N 1 2 244.320 -0.219 20 0 BBADLO C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)c1ncc[nH]1 ZINC000379459160 360931434 /nfs/dbraw/zinc/93/14/34/360931434.db2.gz UJYDGOLJIVNGNC-JGVFFNPUSA-N 1 2 244.320 -0.219 20 0 BBADLO C[C@H]1[NH2+]CCN(S(=O)(=O)c2ncc[nH]2)[C@H]1C ZINC000379459161 360931874 /nfs/dbraw/zinc/93/18/74/360931874.db2.gz UJYDGOLJIVNGNC-SFYZADRCSA-N 1 2 244.320 -0.219 20 0 BBADLO C[C@@H]1[NH2+]CCN(S(=O)(=O)c2ncc[nH]2)[C@H]1C ZINC000379459162 360931734 /nfs/dbraw/zinc/93/17/34/360931734.db2.gz UJYDGOLJIVNGNC-YUMQZZPRSA-N 1 2 244.320 -0.219 20 0 BBADLO Cn1cc(C[NH2+][C@H](C(N)=O)C(C)(C)C)nn1 ZINC000379461749 358499976 /nfs/dbraw/zinc/49/99/76/358499976.db2.gz TZJUOZYOIODTFH-MRVPVSSYSA-N 1 2 225.296 -0.195 20 0 BBADLO NS(=O)(=O)c1ccc(C[NH2+]CCF)o1 ZINC000379498062 398149830 /nfs/dbraw/zinc/14/98/30/398149830.db2.gz HLIYKPMSSSXIGN-UHFFFAOYSA-N 1 2 222.241 -0.014 20 0 BBADLO CCOC(=O)/C=C\C[N@@H+](C)CC(=O)NC ZINC000379670113 712392162 /nfs/dbraw/zinc/39/21/62/712392162.db2.gz ZCQHSWFFUNNBRI-WAYWQWQTSA-N 1 2 214.265 -0.217 20 0 BBADLO CCOC(=O)/C=C\C[N@H+](C)CC(=O)NC ZINC000379670113 712392161 /nfs/dbraw/zinc/39/21/61/712392161.db2.gz ZCQHSWFFUNNBRI-WAYWQWQTSA-N 1 2 214.265 -0.217 20 0 BBADLO Cc1nc(N)nc(NCC2=CCCOC2)[nH+]1 ZINC000379764247 411945102 /nfs/dbraw/zinc/94/51/02/411945102.db2.gz GQEOBZOMELPAAE-UHFFFAOYSA-N 1 2 221.264 -0.057 20 0 BBADLO Cc1nc(NCC2=CCCOC2)nc(N)[nH+]1 ZINC000379764247 411945096 /nfs/dbraw/zinc/94/50/96/411945096.db2.gz GQEOBZOMELPAAE-UHFFFAOYSA-N 1 2 221.264 -0.057 20 0 BBADLO CN(C)S(=O)(=O)CC[NH2+]Cc1ccon1 ZINC000379783434 398166542 /nfs/dbraw/zinc/16/65/42/398166542.db2.gz DHWVACNDOFUULY-UHFFFAOYSA-N 1 2 233.293 -0.344 20 0 BBADLO CC[C@H](CNc1nc(N)nc(C)[nH+]1)OC ZINC000379795430 411885855 /nfs/dbraw/zinc/88/58/55/411885855.db2.gz KHFXGPYCMHECDO-SSDOTTSWSA-N 1 2 211.269 0.021 20 0 BBADLO CC[C@H](CNc1nc(C)[nH+]c(N)n1)OC ZINC000379795430 411885854 /nfs/dbraw/zinc/88/58/54/411885854.db2.gz KHFXGPYCMHECDO-SSDOTTSWSA-N 1 2 211.269 0.021 20 0 BBADLO CC[C@@H](CNc1nc(N)nc(C)[nH+]1)OC ZINC000379795431 411878323 /nfs/dbraw/zinc/87/83/23/411878323.db2.gz KHFXGPYCMHECDO-ZETCQYMHSA-N 1 2 211.269 0.021 20 0 BBADLO CC[C@@H](CNc1nc(C)[nH+]c(N)n1)OC ZINC000379795431 411878317 /nfs/dbraw/zinc/87/83/17/411878317.db2.gz KHFXGPYCMHECDO-ZETCQYMHSA-N 1 2 211.269 0.021 20 0 BBADLO Cc1nc(N)nc(N2CCOC[C@@H]2C)[nH+]1 ZINC000379802208 411283349 /nfs/dbraw/zinc/28/33/49/411283349.db2.gz KRJUAKSDWBVODE-LURJTMIESA-N 1 2 209.253 -0.013 20 0 BBADLO Cc1nc(N2CCOC[C@@H]2C)nc(N)[nH+]1 ZINC000379802208 411283348 /nfs/dbraw/zinc/28/33/48/411283348.db2.gz KRJUAKSDWBVODE-LURJTMIESA-N 1 2 209.253 -0.013 20 0 BBADLO Cc1nc(N)nc(N2CCOC[C@H]2C)[nH+]1 ZINC000379802210 411283153 /nfs/dbraw/zinc/28/31/53/411283153.db2.gz KRJUAKSDWBVODE-ZCFIWIBFSA-N 1 2 209.253 -0.013 20 0 BBADLO Cc1nc(N2CCOC[C@H]2C)nc(N)[nH+]1 ZINC000379802210 411283151 /nfs/dbraw/zinc/28/31/51/411283151.db2.gz KRJUAKSDWBVODE-ZCFIWIBFSA-N 1 2 209.253 -0.013 20 0 BBADLO COCC[C@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000379819039 411865650 /nfs/dbraw/zinc/86/56/50/411865650.db2.gz RUQNYLUKMUFHER-LURJTMIESA-N 1 2 211.269 0.021 20 0 BBADLO COCC[C@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000379819039 411865649 /nfs/dbraw/zinc/86/56/49/411865649.db2.gz RUQNYLUKMUFHER-LURJTMIESA-N 1 2 211.269 0.021 20 0 BBADLO COCC[C@@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000379819040 411863635 /nfs/dbraw/zinc/86/36/35/411863635.db2.gz RUQNYLUKMUFHER-ZCFIWIBFSA-N 1 2 211.269 0.021 20 0 BBADLO COCC[C@@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000379819040 411863631 /nfs/dbraw/zinc/86/36/31/411863631.db2.gz RUQNYLUKMUFHER-ZCFIWIBFSA-N 1 2 211.269 0.021 20 0 BBADLO COCCCCNc1nc(N)nc(C)[nH+]1 ZINC000379823543 411862063 /nfs/dbraw/zinc/86/20/63/411862063.db2.gz UQLCKLZKYGSSBZ-UHFFFAOYSA-N 1 2 211.269 0.023 20 0 BBADLO COCCCCNc1nc(C)[nH+]c(N)n1 ZINC000379823543 411862058 /nfs/dbraw/zinc/86/20/58/411862058.db2.gz UQLCKLZKYGSSBZ-UHFFFAOYSA-N 1 2 211.269 0.023 20 0 BBADLO Cc1nnc(NC(=O)Cn2cc[nH+]c2)[nH]1 ZINC000379849471 343640328 /nfs/dbraw/zinc/64/03/28/343640328.db2.gz AGYLKENSVULJGL-UHFFFAOYSA-N 1 2 206.209 -0.052 20 0 BBADLO Cc1nc(NC(=O)Cn2cc[nH+]c2)n[nH]1 ZINC000379849471 343640327 /nfs/dbraw/zinc/64/03/27/343640327.db2.gz AGYLKENSVULJGL-UHFFFAOYSA-N 1 2 206.209 -0.052 20 0 BBADLO Cc1nc(N)nc(NCC(F)(F)CO)[nH+]1 ZINC000379881137 411936825 /nfs/dbraw/zinc/93/68/25/411936825.db2.gz VSJOXJGGXJTNMT-UHFFFAOYSA-N 1 2 219.195 -0.776 20 0 BBADLO Cc1nc(NCC(F)(F)CO)nc(N)[nH+]1 ZINC000379881137 411936820 /nfs/dbraw/zinc/93/68/20/411936820.db2.gz VSJOXJGGXJTNMT-UHFFFAOYSA-N 1 2 219.195 -0.776 20 0 BBADLO CCC[C@@H](O)CNc1nc(N)nc(C)[nH+]1 ZINC000379893585 411912380 /nfs/dbraw/zinc/91/23/80/411912380.db2.gz GACBVDMPSHRDQD-SSDOTTSWSA-N 1 2 211.269 -0.243 20 0 BBADLO CCC[C@@H](O)CNc1nc(C)[nH+]c(N)n1 ZINC000379893585 411912375 /nfs/dbraw/zinc/91/23/75/411912375.db2.gz GACBVDMPSHRDQD-SSDOTTSWSA-N 1 2 211.269 -0.243 20 0 BBADLO CCC[C@H](O)CNc1nc(N)nc(C)[nH+]1 ZINC000379893586 411914652 /nfs/dbraw/zinc/91/46/52/411914652.db2.gz GACBVDMPSHRDQD-ZETCQYMHSA-N 1 2 211.269 -0.243 20 0 BBADLO CCC[C@H](O)CNc1nc(C)[nH+]c(N)n1 ZINC000379893586 411914647 /nfs/dbraw/zinc/91/46/47/411914647.db2.gz GACBVDMPSHRDQD-ZETCQYMHSA-N 1 2 211.269 -0.243 20 0 BBADLO Cc1nc(N)nc(NCC(C)(C)CO)[nH+]1 ZINC000379932297 411936990 /nfs/dbraw/zinc/93/69/90/411936990.db2.gz WHQJPPKOYBQAPU-UHFFFAOYSA-N 1 2 211.269 -0.385 20 0 BBADLO Cc1nc(NCC(C)(C)CO)nc(N)[nH+]1 ZINC000379932297 411936986 /nfs/dbraw/zinc/93/69/86/411936986.db2.gz WHQJPPKOYBQAPU-UHFFFAOYSA-N 1 2 211.269 -0.385 20 0 BBADLO Cc1nc(N)nc(NCCC[S@](C)=O)[nH+]1 ZINC000379937109 712633865 /nfs/dbraw/zinc/63/38/65/712633865.db2.gz XTNLNTVQQVLWKM-HNNXBMFYSA-N 1 2 229.309 -0.805 20 0 BBADLO Cc1nc(NCCC[S@](C)=O)nc(N)[nH+]1 ZINC000379937109 712633864 /nfs/dbraw/zinc/63/38/64/712633864.db2.gz XTNLNTVQQVLWKM-HNNXBMFYSA-N 1 2 229.309 -0.805 20 0 BBADLO Cc1nc(N)nc(NCCC[S@@](C)=O)[nH+]1 ZINC000379937110 712633873 /nfs/dbraw/zinc/63/38/73/712633873.db2.gz XTNLNTVQQVLWKM-OAHLLOKOSA-N 1 2 229.309 -0.805 20 0 BBADLO Cc1nc(NCCC[S@@](C)=O)nc(N)[nH+]1 ZINC000379937110 712633871 /nfs/dbraw/zinc/63/38/71/712633871.db2.gz XTNLNTVQQVLWKM-OAHLLOKOSA-N 1 2 229.309 -0.805 20 0 BBADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000379950655 365760970 /nfs/dbraw/zinc/76/09/70/365760970.db2.gz KOOOPWPGHLIIHB-OLQVQODUSA-N 1 2 208.269 -0.321 20 0 BBADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1nc(N)nc(N)n1 ZINC000379950655 365760966 /nfs/dbraw/zinc/76/09/66/365760966.db2.gz KOOOPWPGHLIIHB-OLQVQODUSA-N 1 2 208.269 -0.321 20 0 BBADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1nc(N)nc(N)n1 ZINC000379950657 365761137 /nfs/dbraw/zinc/76/11/37/365761137.db2.gz KOOOPWPGHLIIHB-PHDIDXHHSA-N 1 2 208.269 -0.321 20 0 BBADLO C[C@H]1C[C@H](C)[NH+]1Cc1nc(N)nc(N)n1 ZINC000379950658 365761476 /nfs/dbraw/zinc/76/14/76/365761476.db2.gz KOOOPWPGHLIIHB-WDSKDSINSA-N 1 2 208.269 -0.321 20 0 BBADLO CNC(=O)[C@@H](CO)Nc1cc(C)[nH+]cn1 ZINC000379962332 538982829 /nfs/dbraw/zinc/98/28/29/538982829.db2.gz XLYXZIAVGHBDAI-SSDOTTSWSA-N 1 2 210.237 -0.696 20 0 BBADLO CNC(=O)[C@H](CO)Nc1cc(C)[nH+]cn1 ZINC000379962333 538982857 /nfs/dbraw/zinc/98/28/57/538982857.db2.gz XLYXZIAVGHBDAI-ZETCQYMHSA-N 1 2 210.237 -0.696 20 0 BBADLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1CO ZINC000379997931 365788307 /nfs/dbraw/zinc/78/83/07/365788307.db2.gz JBVBXYUAQBGFPQ-SECBINFHSA-N 1 2 209.249 -0.134 20 0 BBADLO Cc1nc(N)nc(N(C)Cc2cnn(C)c2)[nH+]1 ZINC000379998657 411937866 /nfs/dbraw/zinc/93/78/66/411937866.db2.gz WZLJYZURIGZJOD-UHFFFAOYSA-N 1 2 233.279 0.132 20 0 BBADLO Cc1nc(N(C)Cc2cnn(C)c2)nc(N)[nH+]1 ZINC000379998657 411937858 /nfs/dbraw/zinc/93/78/58/411937858.db2.gz WZLJYZURIGZJOD-UHFFFAOYSA-N 1 2 233.279 0.132 20 0 BBADLO Cc1nc(N)nc(NCC2([S@](C)=O)CC2)[nH+]1 ZINC000380021976 411939925 /nfs/dbraw/zinc/93/99/25/411939925.db2.gz QPGCLNQXNUFHIX-MRXNPFEDSA-N 1 2 241.320 -0.493 20 0 BBADLO Cc1nc(N)nc(NCC2([S@@](C)=O)CC2)[nH+]1 ZINC000380021977 411941448 /nfs/dbraw/zinc/94/14/48/411941448.db2.gz QPGCLNQXNUFHIX-INIZCTEOSA-N 1 2 241.320 -0.493 20 0 BBADLO CCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000380038443 343672574 /nfs/dbraw/zinc/67/25/74/343672574.db2.gz STUQHIZLNOCRJB-UHFFFAOYSA-N 1 2 209.249 -0.134 20 0 BBADLO C[C@@H]1CO[C@@H](CO)CN1C(=O)Cn1cc[nH+]c1 ZINC000380066899 365838200 /nfs/dbraw/zinc/83/82/00/365838200.db2.gz ZDVFSTRNBXIQQI-NXEZZACHSA-N 1 2 239.275 -0.509 20 0 BBADLO C[C@H]1CO[C@H](CO)CN1C(=O)Cn1cc[nH+]c1 ZINC000380066900 365838266 /nfs/dbraw/zinc/83/82/66/365838266.db2.gz ZDVFSTRNBXIQQI-UWVGGRQHSA-N 1 2 239.275 -0.509 20 0 BBADLO C[C@H]1CO[C@@H](CO)CN1C(=O)Cn1cc[nH+]c1 ZINC000380066901 365838671 /nfs/dbraw/zinc/83/86/71/365838671.db2.gz ZDVFSTRNBXIQQI-VHSXEESVSA-N 1 2 239.275 -0.509 20 0 BBADLO C[C@@H]1CO[C@H](CO)CN1C(=O)Cn1cc[nH+]c1 ZINC000380066902 365838303 /nfs/dbraw/zinc/83/83/03/365838303.db2.gz ZDVFSTRNBXIQQI-ZJUUUORDSA-N 1 2 239.275 -0.509 20 0 BBADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1cn[nH]c1 ZINC000380088736 538984811 /nfs/dbraw/zinc/98/48/11/538984811.db2.gz MJYWNILEUODNHY-PSASIEDQSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1cn[nH]c1 ZINC000380088736 538984809 /nfs/dbraw/zinc/98/48/09/538984809.db2.gz MJYWNILEUODNHY-PSASIEDQSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1cn[nH]c1 ZINC000380088739 538984590 /nfs/dbraw/zinc/98/45/90/538984590.db2.gz MJYWNILEUODNHY-SCZZXKLOSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1cn[nH]c1 ZINC000380088739 538984589 /nfs/dbraw/zinc/98/45/89/538984589.db2.gz MJYWNILEUODNHY-SCZZXKLOSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1cn[nH]c1 ZINC000380088740 538984859 /nfs/dbraw/zinc/98/48/59/538984859.db2.gz MJYWNILEUODNHY-WCBMZHEXSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1cn[nH]c1 ZINC000380088740 538984857 /nfs/dbraw/zinc/98/48/57/538984857.db2.gz MJYWNILEUODNHY-WCBMZHEXSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1cn[nH]c1 ZINC000380088742 538984825 /nfs/dbraw/zinc/98/48/25/538984825.db2.gz MJYWNILEUODNHY-WPRPVWTQSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1cn[nH]c1 ZINC000380088742 538984823 /nfs/dbraw/zinc/98/48/23/538984823.db2.gz MJYWNILEUODNHY-WPRPVWTQSA-N 1 2 211.265 -0.009 20 0 BBADLO Cc1nc(N[C@@H](C)CO)nc(N(C)C)[nH+]1 ZINC000380255159 411767537 /nfs/dbraw/zinc/76/75/37/411767537.db2.gz QCHFEPIZWPWORH-LURJTMIESA-N 1 2 211.269 0.039 20 0 BBADLO Cc1nc(N(C)C)nc(N[C@@H](C)CO)[nH+]1 ZINC000380255159 411767532 /nfs/dbraw/zinc/76/75/32/411767532.db2.gz QCHFEPIZWPWORH-LURJTMIESA-N 1 2 211.269 0.039 20 0 BBADLO Cc1nc(N[C@H](C)CO)nc(N(C)C)[nH+]1 ZINC000380255161 538987779 /nfs/dbraw/zinc/98/77/79/538987779.db2.gz QCHFEPIZWPWORH-ZCFIWIBFSA-N 1 2 211.269 -0.539 20 0 BBADLO Cc1nc(N(C)C)nc(N[C@H](C)CO)[nH+]1 ZINC000380255161 538987777 /nfs/dbraw/zinc/98/77/77/538987777.db2.gz QCHFEPIZWPWORH-ZCFIWIBFSA-N 1 2 211.269 -0.539 20 0 BBADLO Cc1[nH+]c[nH]c1CNC(=O)c1cnn(C)n1 ZINC000380260077 712848987 /nfs/dbraw/zinc/84/89/87/712848987.db2.gz TXOXDFUMJSWVAF-UHFFFAOYSA-N 1 2 220.236 -0.223 20 0 BBADLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ncc[nH]2)C1 ZINC000380290944 384228063 /nfs/dbraw/zinc/22/80/63/384228063.db2.gz BNMXCFPSIHVCDK-SSDOTTSWSA-N 1 2 230.293 -0.608 20 0 BBADLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ncc[nH]2)C1 ZINC000380290944 384228058 /nfs/dbraw/zinc/22/80/58/384228058.db2.gz BNMXCFPSIHVCDK-SSDOTTSWSA-N 1 2 230.293 -0.608 20 0 BBADLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ncc[nH]2)C1 ZINC000380290960 356519153 /nfs/dbraw/zinc/51/91/53/356519153.db2.gz BNMXCFPSIHVCDK-ZETCQYMHSA-N 1 2 230.293 -0.608 20 0 BBADLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ncc[nH]2)C1 ZINC000380290960 356519151 /nfs/dbraw/zinc/51/91/51/356519151.db2.gz BNMXCFPSIHVCDK-ZETCQYMHSA-N 1 2 230.293 -0.608 20 0 BBADLO COC(=O)[C@@]1([NH2+]C[C@@H](C)CO)CCOC1 ZINC000380315135 346346838 /nfs/dbraw/zinc/34/68/38/346346838.db2.gz IOCAYDDYULAEQV-PSASIEDQSA-N 1 2 217.265 -0.464 20 0 BBADLO COC(=O)[C@]1([NH2+]C[C@@H](C)CO)CCOC1 ZINC000380315136 343754533 /nfs/dbraw/zinc/75/45/33/343754533.db2.gz IOCAYDDYULAEQV-SCZZXKLOSA-N 1 2 217.265 -0.464 20 0 BBADLO COC(=O)[C@@]1([NH2+]C[C@H](C)CO)CCOC1 ZINC000380315138 343754579 /nfs/dbraw/zinc/75/45/79/343754579.db2.gz IOCAYDDYULAEQV-WCBMZHEXSA-N 1 2 217.265 -0.464 20 0 BBADLO COC(=O)[C@]1([NH2+]C[C@H](C)CO)CCOC1 ZINC000380315140 343754566 /nfs/dbraw/zinc/75/45/66/343754566.db2.gz IOCAYDDYULAEQV-WPRPVWTQSA-N 1 2 217.265 -0.464 20 0 BBADLO C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)C(=O)[O-] ZINC000380315154 597059640 /nfs/dbraw/zinc/05/96/40/597059640.db2.gz IOKZTXKORMRVRX-MRVPVSSYSA-N 1 2 216.281 -0.494 20 0 BBADLO C[C@H]([NH2+]C1CC[NH+](CCO)CC1)C(=O)[O-] ZINC000380315155 597059733 /nfs/dbraw/zinc/05/97/33/597059733.db2.gz IOKZTXKORMRVRX-QMMMGPOBSA-N 1 2 216.281 -0.494 20 0 BBADLO CC[C@@]1([NH2+]Cc2nnn(C)n2)CCOC1 ZINC000380343046 538989414 /nfs/dbraw/zinc/98/94/14/538989414.db2.gz SFEKMIQKBXWOMB-SECBINFHSA-N 1 2 211.269 -0.131 20 0 BBADLO CC[C@]1([NH2+]Cc2nnn(C)n2)CCOC1 ZINC000380343049 538988990 /nfs/dbraw/zinc/98/89/90/538988990.db2.gz SFEKMIQKBXWOMB-VIFPVBQESA-N 1 2 211.269 -0.131 20 0 BBADLO Cc1cc(C[NH2+]CCS(=O)(=O)N(C)C)no1 ZINC000380674397 712902356 /nfs/dbraw/zinc/90/23/56/712902356.db2.gz CPDKJZPSZSLCHI-UHFFFAOYSA-N 1 2 247.320 -0.036 20 0 BBADLO C[C@@H]1C(=O)NCCN1C(=O)Cn1cc[nH+]c1 ZINC000380684154 367279007 /nfs/dbraw/zinc/27/90/07/367279007.db2.gz HCAWPULQQGDNTH-MRVPVSSYSA-N 1 2 222.248 -0.770 20 0 BBADLO C[C@H]1C(=O)NCCN1C(=O)Cn1cc[nH+]c1 ZINC000380684159 367278614 /nfs/dbraw/zinc/27/86/14/367278614.db2.gz HCAWPULQQGDNTH-QMMMGPOBSA-N 1 2 222.248 -0.770 20 0 BBADLO Cc1cnc(C[NH2+]CCS(=O)(=O)N(C)C)o1 ZINC000380702477 398204384 /nfs/dbraw/zinc/20/43/84/398204384.db2.gz LGKAIZLONCECTH-UHFFFAOYSA-N 1 2 247.320 -0.036 20 0 BBADLO COC[C@@H](CCO)NC(=O)Cn1cc[nH+]c1 ZINC000380713045 347253965 /nfs/dbraw/zinc/25/39/65/347253965.db2.gz NIMZAJYJNYHFID-SECBINFHSA-N 1 2 227.264 -0.603 20 0 BBADLO COC[C@H](CCO)NC(=O)Cn1cc[nH+]c1 ZINC000380713047 347254069 /nfs/dbraw/zinc/25/40/69/347254069.db2.gz NIMZAJYJNYHFID-VIFPVBQESA-N 1 2 227.264 -0.603 20 0 BBADLO CCOC(=O)CCNC(=O)Cn1cc[nH+]c1 ZINC000380748014 344436608 /nfs/dbraw/zinc/43/66/08/344436608.db2.gz SZXKMQQOJFDHAS-UHFFFAOYSA-N 1 2 225.248 -0.048 20 0 BBADLO CCn1ncnc1C[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000380827164 398208708 /nfs/dbraw/zinc/20/87/08/398208708.db2.gz NXZVQEOSSHNTLP-MRVPVSSYSA-N 1 2 223.280 -0.382 20 0 BBADLO CCn1ncnc1C[NH2+][C@H]1CC(=O)N(C)C1 ZINC000380827168 398208318 /nfs/dbraw/zinc/20/83/18/398208318.db2.gz NXZVQEOSSHNTLP-QMMMGPOBSA-N 1 2 223.280 -0.382 20 0 BBADLO C[N@H+]1CCCN(S(=O)(=O)c2ncc[nH]2)CC1 ZINC000381036110 398220104 /nfs/dbraw/zinc/22/01/04/398220104.db2.gz FFMKDYJMCFFTFR-UHFFFAOYSA-N 1 2 244.320 -0.264 20 0 BBADLO C[N@@H+]1CCCN(S(=O)(=O)c2ncc[nH]2)CC1 ZINC000381036110 398220102 /nfs/dbraw/zinc/22/01/02/398220102.db2.gz FFMKDYJMCFFTFR-UHFFFAOYSA-N 1 2 244.320 -0.264 20 0 BBADLO CC(C)[C@](C)([NH2+]Cc1cnn(C)n1)C(N)=O ZINC000381043838 710598740 /nfs/dbraw/zinc/59/87/40/710598740.db2.gz FEUKCUGVAYCXMP-JTQLQIEISA-N 1 2 225.296 -0.195 20 0 BBADLO CC(C)[C@@](C)([NH2+]Cc1cnn(C)n1)C(N)=O ZINC000381043843 710598691 /nfs/dbraw/zinc/59/86/91/710598691.db2.gz FEUKCUGVAYCXMP-SNVBAGLBSA-N 1 2 225.296 -0.195 20 0 BBADLO C[C@@H]([NH2+]Cc1ccn(C)n1)C(=O)NCCF ZINC000381046099 367342826 /nfs/dbraw/zinc/34/28/26/367342826.db2.gz DGUHLAOZOXMDFY-MRVPVSSYSA-N 1 2 228.271 -0.016 20 0 BBADLO C[C@H]([NH2+]Cc1ccn(C)n1)C(=O)NCCF ZINC000381046102 367342647 /nfs/dbraw/zinc/34/26/47/367342647.db2.gz DGUHLAOZOXMDFY-QMMMGPOBSA-N 1 2 228.271 -0.016 20 0 BBADLO CN(Cc1[nH]cc[nH+]1)S(=O)(=O)c1ncc[nH]1 ZINC000381060855 360576395 /nfs/dbraw/zinc/57/63/95/360576395.db2.gz LADGSYVSTHIPQU-UHFFFAOYSA-N 1 2 241.276 -0.047 20 0 BBADLO Cn1ncc(C[NH2+]CC(C)(C)S(C)(=O)=O)n1 ZINC000381076003 710601192 /nfs/dbraw/zinc/60/11/92/710601192.db2.gz PZZLCWCCXIRSFF-UHFFFAOYSA-N 1 2 246.336 -0.272 20 0 BBADLO C[N@H+](CCNS(=O)(=O)c1ncc[nH]1)C1CC1 ZINC000381080859 360615443 /nfs/dbraw/zinc/61/54/43/360615443.db2.gz RIVNPSRHAXVYFH-UHFFFAOYSA-N 1 2 244.320 -0.218 20 0 BBADLO Cn1cc(CNc2[nH+]cnc(N)c2Cl)nn1 ZINC000381116459 538995327 /nfs/dbraw/zinc/99/53/27/538995327.db2.gz HIASEOPENBPBCP-UHFFFAOYSA-N 1 2 239.670 -0.125 20 0 BBADLO Cn1cc(CNc2nc[nH+]c(N)c2Cl)nn1 ZINC000381116459 538995326 /nfs/dbraw/zinc/99/53/26/538995326.db2.gz HIASEOPENBPBCP-UHFFFAOYSA-N 1 2 239.670 -0.125 20 0 BBADLO NC(=O)COC(=O)CCc1ccc(N)[nH+]c1 ZINC000381124418 710603416 /nfs/dbraw/zinc/60/34/16/710603416.db2.gz JFWKVOHLADJOHA-UHFFFAOYSA-N 1 2 223.232 -0.545 20 0 BBADLO Cc1nc(N)nc(NC2COCCOC2)[nH+]1 ZINC000381126296 487719662 /nfs/dbraw/zinc/71/96/62/487719662.db2.gz JMKMGDYZZORPPW-UHFFFAOYSA-N 1 2 225.252 -0.410 20 0 BBADLO Cc1nc(NC2COCCOC2)nc(N)[nH+]1 ZINC000381126296 487719655 /nfs/dbraw/zinc/71/96/55/487719655.db2.gz JMKMGDYZZORPPW-UHFFFAOYSA-N 1 2 225.252 -0.410 20 0 BBADLO CN(C)S(=O)(=O)CC[NH2+]Cc1cn(C)cn1 ZINC000381142949 710604266 /nfs/dbraw/zinc/60/42/66/710604266.db2.gz NAJDQVFSMBJJLL-UHFFFAOYSA-N 1 2 246.336 -0.599 20 0 BBADLO C[C@@H]([NH2+]Cc1cn(C)cn1)C(=O)NCCF ZINC000381205483 710607404 /nfs/dbraw/zinc/60/74/04/710607404.db2.gz GCRUBCQMVQIMSW-MRVPVSSYSA-N 1 2 228.271 -0.016 20 0 BBADLO C[C@H]([NH2+]Cc1cn(C)cn1)C(=O)NCCF ZINC000381205486 710608518 /nfs/dbraw/zinc/60/85/18/710608518.db2.gz GCRUBCQMVQIMSW-QMMMGPOBSA-N 1 2 228.271 -0.016 20 0 BBADLO Cc1nc(NCCn2cnnc2)cc[nH+]1 ZINC000381232395 398252903 /nfs/dbraw/zinc/25/29/03/398252903.db2.gz STTTUWDMHRBSCS-UHFFFAOYSA-N 1 2 204.237 -0.089 20 0 BBADLO Cc1nnc(NCC[N@H+]2CCO[C@H](C)C2)o1 ZINC000381249737 411797790 /nfs/dbraw/zinc/79/77/90/411797790.db2.gz PCTIPWLUZMILTD-MRVPVSSYSA-N 1 2 226.280 0.511 20 0 BBADLO Cc1nnc(NCC[N@@H+]2CCO[C@H](C)C2)o1 ZINC000381249737 411797787 /nfs/dbraw/zinc/79/77/87/411797787.db2.gz PCTIPWLUZMILTD-MRVPVSSYSA-N 1 2 226.280 0.511 20 0 BBADLO Cc1nnc(NCC[N@H+]2CCO[C@@H](C)C2)o1 ZINC000381249743 410096570 /nfs/dbraw/zinc/09/65/70/410096570.db2.gz PCTIPWLUZMILTD-QMMMGPOBSA-N 1 2 226.280 0.511 20 0 BBADLO Cc1nnc(NCC[N@@H+]2CCO[C@@H](C)C2)o1 ZINC000381249743 410096562 /nfs/dbraw/zinc/09/65/62/410096562.db2.gz PCTIPWLUZMILTD-QMMMGPOBSA-N 1 2 226.280 0.511 20 0 BBADLO O=S(=O)(CCn1cc[nH+]c1)N1CCOCC1 ZINC000381282736 398339818 /nfs/dbraw/zinc/33/98/18/398339818.db2.gz YPYPTFHKBXAKTF-UHFFFAOYSA-N 1 2 245.304 -0.455 20 0 BBADLO CCNS(=O)(=O)CC[NH2+][C@H](C)c1ncc[nH]1 ZINC000381293371 710616802 /nfs/dbraw/zinc/61/68/02/710616802.db2.gz FHEKJGPFPLVMRJ-MRVPVSSYSA-N 1 2 246.336 0.000 20 0 BBADLO CCNS(=O)(=O)CC[NH2+][C@@H](C)c1ncc[nH]1 ZINC000381293373 710617461 /nfs/dbraw/zinc/61/74/61/710617461.db2.gz FHEKJGPFPLVMRJ-QMMMGPOBSA-N 1 2 246.336 0.000 20 0 BBADLO Cc1nc(NC[C@@H](C)CO)nc(N(C)C)[nH+]1 ZINC000381298560 538997817 /nfs/dbraw/zinc/99/78/17/538997817.db2.gz HJPQMKMGQAWHQJ-SSDOTTSWSA-N 1 2 225.296 -0.292 20 0 BBADLO Cc1nc(N(C)C)nc(NC[C@@H](C)CO)[nH+]1 ZINC000381298560 538997815 /nfs/dbraw/zinc/99/78/15/538997815.db2.gz HJPQMKMGQAWHQJ-SSDOTTSWSA-N 1 2 225.296 -0.292 20 0 BBADLO Cc1nc(NC[C@H](C)CO)nc(N(C)C)[nH+]1 ZINC000381298561 538997852 /nfs/dbraw/zinc/99/78/52/538997852.db2.gz HJPQMKMGQAWHQJ-ZETCQYMHSA-N 1 2 225.296 -0.292 20 0 BBADLO Cc1nc(N(C)C)nc(NC[C@H](C)CO)[nH+]1 ZINC000381298561 538997850 /nfs/dbraw/zinc/99/78/50/538997850.db2.gz HJPQMKMGQAWHQJ-ZETCQYMHSA-N 1 2 225.296 -0.292 20 0 BBADLO CC[NH+]1CCN(S(=O)(=O)c2ncc[nH]2)CC1 ZINC000381320983 398251904 /nfs/dbraw/zinc/25/19/04/398251904.db2.gz XPJFMFNYBFJWEA-UHFFFAOYSA-N 1 2 244.320 -0.264 20 0 BBADLO CCc1cc(NCC2(CO)COC2)nc[nH+]1 ZINC000381339269 538998762 /nfs/dbraw/zinc/99/87/62/538998762.db2.gz WZGYCCULLPJKTN-UHFFFAOYSA-N 1 2 223.276 -0.118 20 0 BBADLO Cc1nc(NCC(C)(C)O)nc(N(C)C)[nH+]1 ZINC000381346665 538998705 /nfs/dbraw/zinc/99/87/05/538998705.db2.gz ZGVSITJRSLGHHQ-UHFFFAOYSA-N 1 2 225.296 -0.149 20 0 BBADLO Cc1nc(N(C)C)nc(NCC(C)(C)O)[nH+]1 ZINC000381346665 538998703 /nfs/dbraw/zinc/99/87/03/538998703.db2.gz ZGVSITJRSLGHHQ-UHFFFAOYSA-N 1 2 225.296 -0.149 20 0 BBADLO Cc1nnsc1CN1CC[NH+](CCO)CC1 ZINC000381358055 367387830 /nfs/dbraw/zinc/38/78/30/367387830.db2.gz DFVGEFWTPHISAQ-UHFFFAOYSA-N 1 2 242.348 -0.044 20 0 BBADLO COc1c(N)nc[nH+]c1NCCn1cncn1 ZINC000381389026 411683017 /nfs/dbraw/zinc/68/30/17/411683017.db2.gz NFKMTMAAHPEVGV-UHFFFAOYSA-N 1 2 235.251 -0.229 20 0 BBADLO COc1c(N)[nH+]cnc1NCCn1cncn1 ZINC000381389026 411683013 /nfs/dbraw/zinc/68/30/13/411683013.db2.gz NFKMTMAAHPEVGV-UHFFFAOYSA-N 1 2 235.251 -0.229 20 0 BBADLO Cc1cc(NCc2n[nH]c(=O)[nH]2)nc(C)[nH+]1 ZINC000381396409 538999608 /nfs/dbraw/zinc/99/96/08/538999608.db2.gz PUOLRNBABFATFK-UHFFFAOYSA-N 1 2 220.236 -0.049 20 0 BBADLO CC[C@H](C)[C@H]([NH2+]Cc1nnnn1C)C(N)=O ZINC000381398846 710632355 /nfs/dbraw/zinc/63/23/55/710632355.db2.gz QJAHUNNKVPFTJL-XPUUQOCRSA-N 1 2 226.284 -0.800 20 0 BBADLO Cc1nc(N)nc(NC[C@](C)(O)C(C)C)[nH+]1 ZINC000381411245 411943568 /nfs/dbraw/zinc/94/35/68/411943568.db2.gz STENJRRDLYIJBI-JTQLQIEISA-N 1 2 225.296 0.003 20 0 BBADLO Cc1nc(NC[C@](C)(O)C(C)C)nc(N)[nH+]1 ZINC000381411245 411943563 /nfs/dbraw/zinc/94/35/63/411943563.db2.gz STENJRRDLYIJBI-JTQLQIEISA-N 1 2 225.296 0.003 20 0 BBADLO Cc1nc(N)nc(NC[C@@](C)(O)C(C)C)[nH+]1 ZINC000381411254 411274444 /nfs/dbraw/zinc/27/44/44/411274444.db2.gz STENJRRDLYIJBI-SNVBAGLBSA-N 1 2 225.296 0.003 20 0 BBADLO Cc1nc(NC[C@@](C)(O)C(C)C)nc(N)[nH+]1 ZINC000381411254 411274441 /nfs/dbraw/zinc/27/44/41/411274441.db2.gz STENJRRDLYIJBI-SNVBAGLBSA-N 1 2 225.296 0.003 20 0 BBADLO Nc1cc(COC(=O)c2cn[nH]n2)cc[nH+]1 ZINC000381436209 710636504 /nfs/dbraw/zinc/63/65/04/710636504.db2.gz XYXICGWTTQSBBO-UHFFFAOYSA-N 1 2 219.204 -0.031 20 0 BBADLO CC(C)n1cc(C[NH2+][C@@H]2COC[C@@H]2O)nn1 ZINC000381448547 374120877 /nfs/dbraw/zinc/12/08/77/374120877.db2.gz GGQTWYMUPSFWKP-ZJUUUORDSA-N 1 2 226.280 -0.292 20 0 BBADLO Cc1nc(NCC[S@](C)=O)nc(N(C)C)[nH+]1 ZINC000381478041 710643703 /nfs/dbraw/zinc/64/37/03/710643703.db2.gz RPRITFGKWRMDCT-INIZCTEOSA-N 1 2 243.336 -0.542 20 0 BBADLO Cc1nc(NCC[S@@](C)=O)nc(N(C)C)[nH+]1 ZINC000381478049 710643590 /nfs/dbraw/zinc/64/35/90/710643590.db2.gz RPRITFGKWRMDCT-MRXNPFEDSA-N 1 2 243.336 -0.542 20 0 BBADLO CN(C)C(=O)C(C)(C)[NH2+]Cc1nnnn1C ZINC000381481694 367416254 /nfs/dbraw/zinc/41/62/54/367416254.db2.gz SXHGJDGFXNDLLV-UHFFFAOYSA-N 1 2 226.284 -0.834 20 0 BBADLO COC[C@@H](O)C[NH2+][C@@](C)(C(=O)OC)C1CC1 ZINC000381499299 367420391 /nfs/dbraw/zinc/42/03/91/367420391.db2.gz CUJWYUQTOSSZQJ-GXSJLCMTSA-N 1 2 231.292 -0.075 20 0 BBADLO COC[C@@H](O)C[NH2+][C@](C)(C(=O)OC)C1CC1 ZINC000381499300 367420374 /nfs/dbraw/zinc/42/03/74/367420374.db2.gz CUJWYUQTOSSZQJ-ONGXEEELSA-N 1 2 231.292 -0.075 20 0 BBADLO NC(=O)C1=NO[C@H](C[NH2+]Cc2nccs2)C1 ZINC000381499946 710647227 /nfs/dbraw/zinc/64/72/27/710647227.db2.gz OIZWLYAWLUYJQR-LURJTMIESA-N 1 2 240.288 -0.137 20 0 BBADLO NC(=O)C1=NO[C@@H](C[NH2+]Cc2nccs2)C1 ZINC000381499948 710648052 /nfs/dbraw/zinc/64/80/52/710648052.db2.gz OIZWLYAWLUYJQR-ZCFIWIBFSA-N 1 2 240.288 -0.137 20 0 BBADLO CO[C@@H](C)C(=O)NCc1c[nH+]c(C)nc1N ZINC000381506350 411893125 /nfs/dbraw/zinc/89/31/25/411893125.db2.gz FBDYNDAPPMZGQK-LURJTMIESA-N 1 2 224.264 0.018 20 0 BBADLO CO[C@H](C)C(=O)NCc1c[nH+]c(C)nc1N ZINC000381506415 411899221 /nfs/dbraw/zinc/89/92/21/411899221.db2.gz FBDYNDAPPMZGQK-ZCFIWIBFSA-N 1 2 224.264 0.018 20 0 BBADLO Nc1[nH+]cnc(N2C[C@H](O)C[C@H]2CO)c1Cl ZINC000381515336 361475379 /nfs/dbraw/zinc/47/53/79/361475379.db2.gz SBCNQLNBUNUGLM-NTSWFWBYSA-N 1 2 244.682 -0.356 20 0 BBADLO Cc1[nH]ncc1C[NH2+]CCC(=O)NC(N)=O ZINC000381535902 346288294 /nfs/dbraw/zinc/28/82/94/346288294.db2.gz FJWYURHFLSXKNH-UHFFFAOYSA-N 1 2 225.252 -0.607 20 0 BBADLO Cc1nc(NCC[C@@H](C)O)nc(N(C)C)[nH+]1 ZINC000381538387 411766991 /nfs/dbraw/zinc/76/69/91/411766991.db2.gz GPPAJECKLRFDPV-SSDOTTSWSA-N 1 2 225.296 0.429 20 0 BBADLO Cc1nc(N(C)C)nc(NCC[C@@H](C)O)[nH+]1 ZINC000381538387 411766987 /nfs/dbraw/zinc/76/69/87/411766987.db2.gz GPPAJECKLRFDPV-SSDOTTSWSA-N 1 2 225.296 0.429 20 0 BBADLO COCCC(=O)NCc1c[nH+]c(C)nc1N ZINC000381554803 411861192 /nfs/dbraw/zinc/86/11/92/411861192.db2.gz NZANJJWXTKGAFX-UHFFFAOYSA-N 1 2 224.264 0.020 20 0 BBADLO Cn1cc(C[NH2+]C2(C(N)=O)CCCC2)nn1 ZINC000381585128 710658721 /nfs/dbraw/zinc/65/87/21/710658721.db2.gz HEFJEQGIDPVKLL-UHFFFAOYSA-N 1 2 223.280 -0.297 20 0 BBADLO CCOCC(=O)NCc1c[nH+]c(C)nc1N ZINC000381597387 411868149 /nfs/dbraw/zinc/86/81/49/411868149.db2.gz FWRJMVBRVNWEBT-UHFFFAOYSA-N 1 2 224.264 0.020 20 0 BBADLO Cc1cc(NCc2n[nH]c(=O)[nH]2)nc(N)[nH+]1 ZINC000381622075 710662814 /nfs/dbraw/zinc/66/28/14/710662814.db2.gz ITPTUYKAWWTAQA-UHFFFAOYSA-N 1 2 221.224 -0.945 20 0 BBADLO CNC(=O)CC(=O)OCc1cc[nH+]c(N)c1 ZINC000381648896 710666906 /nfs/dbraw/zinc/66/69/06/710666906.db2.gz RDDDLUMMVGHNTK-UHFFFAOYSA-N 1 2 223.232 -0.327 20 0 BBADLO CCOC(=O)C(C)(C)[NH2+]CC1(CO)COC1 ZINC000381651773 367443982 /nfs/dbraw/zinc/44/39/82/367443982.db2.gz DFOGVSJAOBSNQJ-UHFFFAOYSA-N 1 2 231.292 -0.073 20 0 BBADLO C[C@@H](NS(=O)(=O)NCC(F)(F)F)[C@H](C)[NH3+] ZINC000381712436 367449508 /nfs/dbraw/zinc/44/95/08/367449508.db2.gz IRMSSIGXVYUVDQ-CRCLSJGQSA-N 1 2 249.258 -0.292 20 0 BBADLO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)NCC(F)(F)F ZINC000381712440 367450113 /nfs/dbraw/zinc/45/01/13/367450113.db2.gz IRMSSIGXVYUVDQ-RFZPGFLSSA-N 1 2 249.258 -0.292 20 0 BBADLO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)NCC(F)(F)F ZINC000381712442 367449697 /nfs/dbraw/zinc/44/96/97/367449697.db2.gz IRMSSIGXVYUVDQ-UHNVWZDZSA-N 1 2 249.258 -0.292 20 0 BBADLO C[C@H]([NH3+])[C@H](C)NS(=O)(=O)NCC(F)(F)F ZINC000381712449 357930009 /nfs/dbraw/zinc/93/00/09/357930009.db2.gz IRMSSIGXVYUVDQ-WHFBIAKZSA-N 1 2 249.258 -0.292 20 0 BBADLO COc1c(N)nc[nH+]c1N(C)CCC(N)=O ZINC000381979196 367475499 /nfs/dbraw/zinc/47/54/99/367475499.db2.gz GIYDHPXQKWLFLB-UHFFFAOYSA-N 1 2 225.252 -0.621 20 0 BBADLO COc1c(N)[nH+]cnc1N(C)CCC(N)=O ZINC000381979196 367475494 /nfs/dbraw/zinc/47/54/94/367475494.db2.gz GIYDHPXQKWLFLB-UHFFFAOYSA-N 1 2 225.252 -0.621 20 0 BBADLO CNc1cc(N(C)CCC(N)=O)[nH+]cn1 ZINC000382080718 710773565 /nfs/dbraw/zinc/77/35/65/710773565.db2.gz OMEISMWHLHNBIN-UHFFFAOYSA-N 1 2 209.253 -0.170 20 0 BBADLO CNc1cc(N(C)CCC(N)=O)nc[nH+]1 ZINC000382080718 710773561 /nfs/dbraw/zinc/77/35/61/710773561.db2.gz OMEISMWHLHNBIN-UHFFFAOYSA-N 1 2 209.253 -0.170 20 0 BBADLO C[NH+](C)CCO[N-]C(=O)Cn1cc[nH+]c1 ZINC000382092375 710775000 /nfs/dbraw/zinc/77/50/00/710775000.db2.gz LRPBGTNFNZPATC-UHFFFAOYSA-N 1 2 212.253 -0.508 20 0 BBADLO CO[C@H](C[NH2+]Cc1nnn(C)n1)C1CC1 ZINC000382137039 398306700 /nfs/dbraw/zinc/30/67/00/398306700.db2.gz YRVSCBMFLDEMGT-MRVPVSSYSA-N 1 2 211.269 -0.275 20 0 BBADLO CO[C@@H](C[NH2+]Cc1nnn(C)n1)C1CC1 ZINC000382137042 398306566 /nfs/dbraw/zinc/30/65/66/398306566.db2.gz YRVSCBMFLDEMGT-QMMMGPOBSA-N 1 2 211.269 -0.275 20 0 BBADLO Cc1nc(N[C@@H]2CC[C@H]2O)nc(N(C)C)[nH+]1 ZINC000382289460 411768157 /nfs/dbraw/zinc/76/81/57/411768157.db2.gz MJXBPJFJNUBOGN-HTQZYQBOSA-N 1 2 223.280 0.181 20 0 BBADLO Cc1nc(N(C)C)nc(N[C@@H]2CC[C@H]2O)[nH+]1 ZINC000382289460 411768153 /nfs/dbraw/zinc/76/81/53/411768153.db2.gz MJXBPJFJNUBOGN-HTQZYQBOSA-N 1 2 223.280 0.181 20 0 BBADLO C[NH+](C)C1CN(S(=O)(=O)c2ncc[nH]2)C1 ZINC000382339621 397936748 /nfs/dbraw/zinc/93/67/48/397936748.db2.gz JQTWPGBTRACZEW-UHFFFAOYSA-N 1 2 230.293 -0.656 20 0 BBADLO NC(=O)CN1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000382503192 367530618 /nfs/dbraw/zinc/53/06/18/367530618.db2.gz NDTDTRIBWMOACO-JTQLQIEISA-N 1 2 227.308 -0.732 20 0 BBADLO NC(=O)CN1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000382503194 367530406 /nfs/dbraw/zinc/53/04/06/367530406.db2.gz NDTDTRIBWMOACO-SNVBAGLBSA-N 1 2 227.308 -0.732 20 0 BBADLO CNc1cc(NC[C@](C)(O)COC)[nH+]cn1 ZINC000382546452 711694882 /nfs/dbraw/zinc/69/48/82/711694882.db2.gz DEVIHAWHZHDQPF-JTQLQIEISA-N 1 2 226.280 -0.251 20 0 BBADLO CNc1cc(NC[C@@](C)(O)COC)[nH+]cn1 ZINC000382546456 711695057 /nfs/dbraw/zinc/69/50/57/711695057.db2.gz DEVIHAWHZHDQPF-SNVBAGLBSA-N 1 2 226.280 -0.251 20 0 BBADLO COC[C@](C)(O)CNC(=O)CCn1cc[nH+]c1 ZINC000382554858 347357270 /nfs/dbraw/zinc/35/72/70/347357270.db2.gz JDDPOXYMIJFQGT-LLVKDONJSA-N 1 2 241.291 -0.213 20 0 BBADLO COC[C@@](C)(O)CNC(=O)CCn1cc[nH+]c1 ZINC000382554861 347357398 /nfs/dbraw/zinc/35/73/98/347357398.db2.gz JDDPOXYMIJFQGT-NSHDSACASA-N 1 2 241.291 -0.213 20 0 BBADLO COC[C@@](C)(O)CNc1[nH+]cnc(N)c1OC ZINC000382574499 411125630 /nfs/dbraw/zinc/12/56/30/411125630.db2.gz USCWGDAAUGUERR-JTQLQIEISA-N 1 2 242.279 -0.123 20 0 BBADLO COC[C@@](C)(O)CNc1nc[nH+]c(N)c1OC ZINC000382574499 411125627 /nfs/dbraw/zinc/12/56/27/411125627.db2.gz USCWGDAAUGUERR-JTQLQIEISA-N 1 2 242.279 -0.123 20 0 BBADLO COC[C@](C)(O)CNc1[nH+]cnc(N)c1OC ZINC000382574501 411654709 /nfs/dbraw/zinc/65/47/09/411654709.db2.gz USCWGDAAUGUERR-SNVBAGLBSA-N 1 2 242.279 -0.123 20 0 BBADLO COC[C@](C)(O)CNc1nc[nH+]c(N)c1OC ZINC000382574501 411654705 /nfs/dbraw/zinc/65/47/05/411654705.db2.gz USCWGDAAUGUERR-SNVBAGLBSA-N 1 2 242.279 -0.123 20 0 BBADLO C[C@H]([NH2+]C1CC1)C(=O)N=c1nc[nH]n1C ZINC000382966028 367575768 /nfs/dbraw/zinc/57/57/68/367575768.db2.gz PYXWXBKKERKSGV-LURJTMIESA-N 1 2 209.253 -0.684 20 0 BBADLO C[C@@H]([NH2+]C1CC1)C(=O)N=c1nc[nH]n1C ZINC000382966030 367575655 /nfs/dbraw/zinc/57/56/55/367575655.db2.gz PYXWXBKKERKSGV-ZCFIWIBFSA-N 1 2 209.253 -0.684 20 0 BBADLO CCOC1C[NH+](C[C@H](O)CN2CCOCC2)C1 ZINC000383159659 367602121 /nfs/dbraw/zinc/60/21/21/367602121.db2.gz PJDWAZIPWVCEQU-LLVKDONJSA-N 1 2 244.335 -0.600 20 0 BBADLO CCOC1C[NH+](C[C@@H](O)CN2CCOCC2)C1 ZINC000383159686 347853102 /nfs/dbraw/zinc/85/31/02/347853102.db2.gz PJDWAZIPWVCEQU-NSHDSACASA-N 1 2 244.335 -0.600 20 0 BBADLO Cc1cc(NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)nn1C ZINC000383285266 411631671 /nfs/dbraw/zinc/63/16/71/411631671.db2.gz JEMGGWJPQZMCMC-SCZZXKLOSA-N 1 2 238.291 0.044 20 0 BBADLO Cc1nc(N)nc(N[C@H](C)Cn2cccn2)[nH+]1 ZINC000383401154 411278241 /nfs/dbraw/zinc/27/82/41/411278241.db2.gz OOQULNQKTNZOJN-SSDOTTSWSA-N 1 2 233.279 -0.119 20 0 BBADLO Cc1nc(N[C@H](C)Cn2cccn2)nc(N)[nH+]1 ZINC000383401154 411278238 /nfs/dbraw/zinc/27/82/38/411278238.db2.gz OOQULNQKTNZOJN-SSDOTTSWSA-N 1 2 233.279 -0.119 20 0 BBADLO Cc1nc(N)nc(N[C@@H](C)Cn2cccn2)[nH+]1 ZINC000383401155 411947869 /nfs/dbraw/zinc/94/78/69/411947869.db2.gz OOQULNQKTNZOJN-ZETCQYMHSA-N 1 2 233.279 -0.119 20 0 BBADLO Cc1nc(N[C@@H](C)Cn2cccn2)nc(N)[nH+]1 ZINC000383401155 411947863 /nfs/dbraw/zinc/94/78/63/411947863.db2.gz OOQULNQKTNZOJN-ZETCQYMHSA-N 1 2 233.279 -0.119 20 0 BBADLO Cc1nn(C)cc1CNc1nc(N)nc(C)[nH+]1 ZINC000383432938 411917430 /nfs/dbraw/zinc/91/74/30/411917430.db2.gz CHQDUCAGFCSXGD-UHFFFAOYSA-N 1 2 233.279 -0.162 20 0 BBADLO Cc1nn(C)cc1CNc1nc(C)[nH+]c(N)n1 ZINC000383432938 411917426 /nfs/dbraw/zinc/91/74/26/411917426.db2.gz CHQDUCAGFCSXGD-UHFFFAOYSA-N 1 2 233.279 -0.162 20 0 BBADLO COc1c(N)nc[nH+]c1NCCCNC(C)=O ZINC000383447183 411683561 /nfs/dbraw/zinc/68/35/61/411683561.db2.gz AZIPLUJZCFMYNB-UHFFFAOYSA-N 1 2 239.279 0.006 20 0 BBADLO COc1c(N)[nH+]cnc1NCCCNC(C)=O ZINC000383447183 411683553 /nfs/dbraw/zinc/68/35/53/411683553.db2.gz AZIPLUJZCFMYNB-UHFFFAOYSA-N 1 2 239.279 0.006 20 0 BBADLO COc1ccc[nH+]c1N1CC[C@](O)(C(N)=O)C1 ZINC000383523728 367632969 /nfs/dbraw/zinc/63/29/69/367632969.db2.gz OOZJOXIDWQPWPN-LLVKDONJSA-N 1 2 237.259 -0.483 20 0 BBADLO COc1ccc[nH+]c1N1CC[C@@](O)(C(N)=O)C1 ZINC000383523729 367633497 /nfs/dbraw/zinc/63/34/97/367633497.db2.gz OOZJOXIDWQPWPN-NSHDSACASA-N 1 2 237.259 -0.483 20 0 BBADLO CO[C@]1(CNc2nc(N)nc(C)[nH+]2)CCOC1 ZINC000383677914 411899453 /nfs/dbraw/zinc/89/94/53/411899453.db2.gz NVJSAOZTLYRCQQ-JTQLQIEISA-N 1 2 239.279 -0.598 20 0 BBADLO CO[C@]1(CNc2nc(C)[nH+]c(N)n2)CCOC1 ZINC000383677914 411899450 /nfs/dbraw/zinc/89/94/50/411899450.db2.gz NVJSAOZTLYRCQQ-JTQLQIEISA-N 1 2 239.279 -0.598 20 0 BBADLO CO[C@@]1(CNc2nc(N)nc(C)[nH+]2)CCOC1 ZINC000383677916 411899062 /nfs/dbraw/zinc/89/90/62/411899062.db2.gz NVJSAOZTLYRCQQ-SNVBAGLBSA-N 1 2 239.279 -0.598 20 0 BBADLO CO[C@@]1(CNc2nc(C)[nH+]c(N)n2)CCOC1 ZINC000383677916 411899059 /nfs/dbraw/zinc/89/90/59/411899059.db2.gz NVJSAOZTLYRCQQ-SNVBAGLBSA-N 1 2 239.279 -0.598 20 0 BBADLO COc1c(N)nc[nH+]c1N[C@H]1CC(=O)N(C)C1 ZINC000383731491 355226125 /nfs/dbraw/zinc/22/61/25/355226125.db2.gz HBDNHIBPNLZJNQ-LURJTMIESA-N 1 2 237.263 -0.290 20 0 BBADLO COc1c(N)[nH+]cnc1N[C@H]1CC(=O)N(C)C1 ZINC000383731491 355226120 /nfs/dbraw/zinc/22/61/20/355226120.db2.gz HBDNHIBPNLZJNQ-LURJTMIESA-N 1 2 237.263 -0.290 20 0 BBADLO COc1c(N)nc[nH+]c1N[C@@H]1CC(=O)N(C)C1 ZINC000383731493 355226141 /nfs/dbraw/zinc/22/61/41/355226141.db2.gz HBDNHIBPNLZJNQ-ZCFIWIBFSA-N 1 2 237.263 -0.290 20 0 BBADLO COc1c(N)[nH+]cnc1N[C@@H]1CC(=O)N(C)C1 ZINC000383731493 355226136 /nfs/dbraw/zinc/22/61/36/355226136.db2.gz HBDNHIBPNLZJNQ-ZCFIWIBFSA-N 1 2 237.263 -0.290 20 0 BBADLO Cc1nc(N)nc(NCCCn2cccn2)[nH+]1 ZINC000383825226 411942888 /nfs/dbraw/zinc/94/28/88/411942888.db2.gz RPNPEVQQLIGMFS-UHFFFAOYSA-N 1 2 233.279 -0.117 20 0 BBADLO Cc1nc(NCCCn2cccn2)nc(N)[nH+]1 ZINC000383825226 411942886 /nfs/dbraw/zinc/94/28/86/411942886.db2.gz RPNPEVQQLIGMFS-UHFFFAOYSA-N 1 2 233.279 -0.117 20 0 BBADLO COCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000384008660 367667826 /nfs/dbraw/zinc/66/78/26/367667826.db2.gz UXILJKCWEFCRMX-UHFFFAOYSA-N 1 2 225.248 -0.897 20 0 BBADLO COCC1(O)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000384076239 356231284 /nfs/dbraw/zinc/23/12/84/356231284.db2.gz QLXOXXBGCLLJNY-UHFFFAOYSA-N 1 2 239.275 -0.507 20 0 BBADLO COCC1(O)CN(c2cc(C)[nH+]cn2)C1 ZINC000384100745 487692172 /nfs/dbraw/zinc/69/21/72/487692172.db2.gz ZHNWWKRAEFXAKC-UHFFFAOYSA-N 1 2 209.249 -0.017 20 0 BBADLO CCOC(C)(C)C(=O)N1CC[NH+](CCO)CC1 ZINC000384165165 398123168 /nfs/dbraw/zinc/12/31/68/398123168.db2.gz WSPPNOYURCQWJQ-UHFFFAOYSA-N 1 2 244.335 -0.062 20 0 BBADLO Cc1nc(N)nc(NC[C@H](C)CCCO)[nH+]1 ZINC000384391408 411943248 /nfs/dbraw/zinc/94/32/48/411943248.db2.gz NLUWSRRBVPWQDU-SSDOTTSWSA-N 1 2 225.296 0.005 20 0 BBADLO Cc1nc(NC[C@H](C)CCCO)nc(N)[nH+]1 ZINC000384391408 411943242 /nfs/dbraw/zinc/94/32/42/411943242.db2.gz NLUWSRRBVPWQDU-SSDOTTSWSA-N 1 2 225.296 0.005 20 0 BBADLO Cc1nc(N)nc(NC[C@@H](C)CCCO)[nH+]1 ZINC000384391409 411273238 /nfs/dbraw/zinc/27/32/38/411273238.db2.gz NLUWSRRBVPWQDU-ZETCQYMHSA-N 1 2 225.296 0.005 20 0 BBADLO Cc1nc(NC[C@@H](C)CCCO)nc(N)[nH+]1 ZINC000384391409 411273234 /nfs/dbraw/zinc/27/32/34/411273234.db2.gz NLUWSRRBVPWQDU-ZETCQYMHSA-N 1 2 225.296 0.005 20 0 BBADLO CC[N@@H+](CC(=O)OC)CC1(CO)COC1 ZINC000384658523 367713409 /nfs/dbraw/zinc/71/34/09/367713409.db2.gz ZXCJODWBELBGCV-UHFFFAOYSA-N 1 2 217.265 -0.510 20 0 BBADLO CC[N@H+](CC(=O)OC)CC1(CO)COC1 ZINC000384658523 367713403 /nfs/dbraw/zinc/71/34/03/367713403.db2.gz ZXCJODWBELBGCV-UHFFFAOYSA-N 1 2 217.265 -0.510 20 0 BBADLO C[C@@H]1C[C@H](O)CN1C(=O)Cn1cc[nH+]c1 ZINC000384928947 367759698 /nfs/dbraw/zinc/75/96/98/367759698.db2.gz HLJGJZPAVLWHOU-BDAKNGLRSA-N 1 2 209.249 -0.135 20 0 BBADLO C[C@H]1C[C@@H](O)CN1C(=O)Cn1cc[nH+]c1 ZINC000384928948 367759723 /nfs/dbraw/zinc/75/97/23/367759723.db2.gz HLJGJZPAVLWHOU-DTWKUNHWSA-N 1 2 209.249 -0.135 20 0 BBADLO C[C@H]1C[C@H](O)CN1C(=O)Cn1cc[nH+]c1 ZINC000384928949 367760768 /nfs/dbraw/zinc/76/07/68/367760768.db2.gz HLJGJZPAVLWHOU-IUCAKERBSA-N 1 2 209.249 -0.135 20 0 BBADLO C[C@@H]1C[C@@H](O)CN1C(=O)Cn1cc[nH+]c1 ZINC000384928950 367759799 /nfs/dbraw/zinc/75/97/99/367759799.db2.gz HLJGJZPAVLWHOU-RKDXNWHRSA-N 1 2 209.249 -0.135 20 0 BBADLO COCC(COC)[N@H+]1CCO[C@H](C(=O)OC)C1 ZINC000385041932 711003948 /nfs/dbraw/zinc/00/39/48/711003948.db2.gz ODGAQPUTSGIBMH-JTQLQIEISA-N 1 2 247.291 -0.478 20 0 BBADLO COCC(COC)[N@@H+]1CCO[C@H](C(=O)OC)C1 ZINC000385041932 711003944 /nfs/dbraw/zinc/00/39/44/711003944.db2.gz ODGAQPUTSGIBMH-JTQLQIEISA-N 1 2 247.291 -0.478 20 0 BBADLO COCC(COC)[N@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000385041941 711004061 /nfs/dbraw/zinc/00/40/61/711004061.db2.gz ODGAQPUTSGIBMH-SNVBAGLBSA-N 1 2 247.291 -0.478 20 0 BBADLO COCC(COC)[N@@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000385041941 711004057 /nfs/dbraw/zinc/00/40/57/711004057.db2.gz ODGAQPUTSGIBMH-SNVBAGLBSA-N 1 2 247.291 -0.478 20 0 BBADLO OCCC[N@@H+](CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000385332056 711012087 /nfs/dbraw/zinc/01/20/87/711012087.db2.gz SBGMKJBXIRUSMR-GFCCVEGCSA-N 1 2 246.351 -0.880 20 0 BBADLO OCCC[N@@H+](CCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000385332057 711011053 /nfs/dbraw/zinc/01/10/53/711011053.db2.gz SBGMKJBXIRUSMR-LBPRGKRZSA-N 1 2 246.351 -0.880 20 0 BBADLO CCn1cc[nH+]c1CNS(C)(=O)=O ZINC000385423575 344583793 /nfs/dbraw/zinc/58/37/93/344583793.db2.gz BSHAGGNNWSVHCG-UHFFFAOYSA-N 1 2 203.267 -0.048 20 0 BBADLO CCn1cc[nH+]c1CNS(=O)(=O)N(C)C ZINC000385494342 344981133 /nfs/dbraw/zinc/98/11/33/344981133.db2.gz PNMJNSXOXFBQAX-UHFFFAOYSA-N 1 2 232.309 -0.201 20 0 BBADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000385507866 487787674 /nfs/dbraw/zinc/78/76/74/487787674.db2.gz GGPGNDBOTZGMBJ-MBTKJCJQSA-N 1 2 221.260 -0.039 20 0 BBADLO O=C([C@H]1[C@@H]2COC[C@@H]21)N1CC[NH+](CCO)CC1 ZINC000385515463 487788468 /nfs/dbraw/zinc/78/84/68/487788468.db2.gz HKQVIBJZPIDFND-URLYPYJESA-N 1 2 240.303 -0.985 20 0 BBADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000385516713 487788598 /nfs/dbraw/zinc/78/85/98/487788598.db2.gz HPFOIQJPNGMTPO-QMSLJYSESA-N 1 2 207.233 -0.082 20 0 BBADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000385519418 487789122 /nfs/dbraw/zinc/78/91/22/487789122.db2.gz IBMODRYKLDTJOQ-BRPSZJMVSA-N 1 2 207.233 -0.082 20 0 BBADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000385519418 487789106 /nfs/dbraw/zinc/78/91/06/487789106.db2.gz IBMODRYKLDTJOQ-BRPSZJMVSA-N 1 2 207.233 -0.082 20 0 BBADLO CCCn1ncnc1C[N@@H+](CCO)CCCO ZINC000385681939 367854704 /nfs/dbraw/zinc/85/47/04/367854704.db2.gz DDASBMGUKPMDGA-UHFFFAOYSA-N 1 2 242.323 -0.135 20 0 BBADLO CCCn1ncnc1C[N@H+](CCO)CCCO ZINC000385681939 367854697 /nfs/dbraw/zinc/85/46/97/367854697.db2.gz DDASBMGUKPMDGA-UHFFFAOYSA-N 1 2 242.323 -0.135 20 0 BBADLO CNc1cc(N(CCO)CCCO)[nH+]cn1 ZINC000385751668 711018225 /nfs/dbraw/zinc/01/82/25/711018225.db2.gz PAMFGBSYQUFXFP-UHFFFAOYSA-N 1 2 226.280 -0.301 20 0 BBADLO CNc1cc(N(CCO)CCCO)nc[nH+]1 ZINC000385751668 711018224 /nfs/dbraw/zinc/01/82/24/711018224.db2.gz PAMFGBSYQUFXFP-UHFFFAOYSA-N 1 2 226.280 -0.301 20 0 BBADLO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1nnn(C)n1 ZINC000385771289 367863200 /nfs/dbraw/zinc/86/32/00/367863200.db2.gz GSKGUAYCZAHJLX-HTQZYQBOSA-N 1 2 211.269 -0.587 20 0 BBADLO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1nnn(C)n1 ZINC000385771289 367863197 /nfs/dbraw/zinc/86/31/97/367863197.db2.gz GSKGUAYCZAHJLX-HTQZYQBOSA-N 1 2 211.269 -0.587 20 0 BBADLO C[C@H]1[C@@H](CO)CC[N@H+]1Cc1nnn(C)n1 ZINC000385771291 367863492 /nfs/dbraw/zinc/86/34/92/367863492.db2.gz GSKGUAYCZAHJLX-JGVFFNPUSA-N 1 2 211.269 -0.587 20 0 BBADLO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1nnn(C)n1 ZINC000385771291 367863491 /nfs/dbraw/zinc/86/34/91/367863491.db2.gz GSKGUAYCZAHJLX-JGVFFNPUSA-N 1 2 211.269 -0.587 20 0 BBADLO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1nnn(C)n1 ZINC000385771292 367863460 /nfs/dbraw/zinc/86/34/60/367863460.db2.gz GSKGUAYCZAHJLX-SFYZADRCSA-N 1 2 211.269 -0.587 20 0 BBADLO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1nnn(C)n1 ZINC000385771292 367863458 /nfs/dbraw/zinc/86/34/58/367863458.db2.gz GSKGUAYCZAHJLX-SFYZADRCSA-N 1 2 211.269 -0.587 20 0 BBADLO C[C@H]1[C@H](CO)CC[N@H+]1Cc1nnn(C)n1 ZINC000385771294 367863388 /nfs/dbraw/zinc/86/33/88/367863388.db2.gz GSKGUAYCZAHJLX-YUMQZZPRSA-N 1 2 211.269 -0.587 20 0 BBADLO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1nnn(C)n1 ZINC000385771294 367863386 /nfs/dbraw/zinc/86/33/86/367863386.db2.gz GSKGUAYCZAHJLX-YUMQZZPRSA-N 1 2 211.269 -0.587 20 0 BBADLO Cc1nnc(C[N@@H+](CCO)CCCO)[nH]1 ZINC000385906992 367881375 /nfs/dbraw/zinc/88/13/75/367881375.db2.gz DWPJRAXPDAXEDX-UHFFFAOYSA-N 1 2 214.269 -0.710 20 0 BBADLO Cc1nnc(C[N@H+](CCO)CCCO)[nH]1 ZINC000385906992 367881370 /nfs/dbraw/zinc/88/13/70/367881370.db2.gz DWPJRAXPDAXEDX-UHFFFAOYSA-N 1 2 214.269 -0.710 20 0 BBADLO Cc1nonc1C[N@@H+](CCO)CCCO ZINC000386120186 711023489 /nfs/dbraw/zinc/02/34/89/711023489.db2.gz SDJIYWNLGYPCNU-UHFFFAOYSA-N 1 2 215.253 -0.445 20 0 BBADLO Cc1nonc1C[N@H+](CCO)CCCO ZINC000386120186 711023486 /nfs/dbraw/zinc/02/34/86/711023486.db2.gz SDJIYWNLGYPCNU-UHFFFAOYSA-N 1 2 215.253 -0.445 20 0 BBADLO Cc1nc(N)nc(NCCC(C)(C)CO)[nH+]1 ZINC000386310696 398264702 /nfs/dbraw/zinc/26/47/02/398264702.db2.gz SJHMZQQHHINNGA-UHFFFAOYSA-N 1 2 225.296 -0.165 20 0 BBADLO Cc1nc(NCCC(C)(C)CO)nc(N)[nH+]1 ZINC000386310696 398264699 /nfs/dbraw/zinc/26/46/99/398264699.db2.gz SJHMZQQHHINNGA-UHFFFAOYSA-N 1 2 225.296 -0.165 20 0 BBADLO CC[C@H](C(N)=O)[NH+]1CCN(C(=O)OC)CC1 ZINC000387154075 368072694 /nfs/dbraw/zinc/07/26/94/368072694.db2.gz ZLNSXYJPLODNMT-MRVPVSSYSA-N 1 2 229.280 -0.366 20 0 BBADLO CC[C@@H](C(N)=O)[NH+]1CCN(C(=O)OC)CC1 ZINC000387154079 368069220 /nfs/dbraw/zinc/06/92/20/368069220.db2.gz ZLNSXYJPLODNMT-QMMMGPOBSA-N 1 2 229.280 -0.366 20 0 BBADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC(=O)N1 ZINC000387166926 368084923 /nfs/dbraw/zinc/08/49/23/368084923.db2.gz SHEUZFUBFJKWSQ-MRVPVSSYSA-N 1 2 222.248 -0.770 20 0 BBADLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC(=O)N1 ZINC000387166927 368086106 /nfs/dbraw/zinc/08/61/06/368086106.db2.gz SHEUZFUBFJKWSQ-QMMMGPOBSA-N 1 2 222.248 -0.770 20 0 BBADLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC(=O)N1 ZINC000387179155 363537325 /nfs/dbraw/zinc/53/73/25/363537325.db2.gz UXKFLISSYCBICZ-SECBINFHSA-N 1 2 236.275 -0.380 20 0 BBADLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC(=O)N1 ZINC000387179156 363537051 /nfs/dbraw/zinc/53/70/51/363537051.db2.gz UXKFLISSYCBICZ-VIFPVBQESA-N 1 2 236.275 -0.380 20 0 BBADLO CCOC(=O)C[C@H](O)C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000387302030 363610059 /nfs/dbraw/zinc/61/00/59/363610059.db2.gz PADREJPVUFLEMN-BDAKNGLRSA-N 1 2 244.291 -0.879 20 0 BBADLO CCOC(=O)C[C@H](O)C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000387302030 363610056 /nfs/dbraw/zinc/61/00/56/363610056.db2.gz PADREJPVUFLEMN-BDAKNGLRSA-N 1 2 244.291 -0.879 20 0 BBADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000387302032 363610235 /nfs/dbraw/zinc/61/02/35/363610235.db2.gz PADREJPVUFLEMN-DTWKUNHWSA-N 1 2 244.291 -0.879 20 0 BBADLO CCOC(=O)C[C@@H](O)C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000387302032 363610234 /nfs/dbraw/zinc/61/02/34/363610234.db2.gz PADREJPVUFLEMN-DTWKUNHWSA-N 1 2 244.291 -0.879 20 0 BBADLO CCOC(=O)C[C@H](O)C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000387302036 363610220 /nfs/dbraw/zinc/61/02/20/363610220.db2.gz PADREJPVUFLEMN-IUCAKERBSA-N 1 2 244.291 -0.879 20 0 BBADLO CCOC(=O)C[C@H](O)C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000387302036 363610213 /nfs/dbraw/zinc/61/02/13/363610213.db2.gz PADREJPVUFLEMN-IUCAKERBSA-N 1 2 244.291 -0.879 20 0 BBADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000387302038 363610142 /nfs/dbraw/zinc/61/01/42/363610142.db2.gz PADREJPVUFLEMN-RKDXNWHRSA-N 1 2 244.291 -0.879 20 0 BBADLO CCOC(=O)C[C@@H](O)C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000387302038 363610138 /nfs/dbraw/zinc/61/01/38/363610138.db2.gz PADREJPVUFLEMN-RKDXNWHRSA-N 1 2 244.291 -0.879 20 0 BBADLO COC(=O)CCC[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000387350478 357918933 /nfs/dbraw/zinc/91/89/33/357918933.db2.gz VFOVMVNMBIVODO-MRVPVSSYSA-N 1 2 214.265 -0.240 20 0 BBADLO COC(=O)CCC[N@H+]1CC(=O)N[C@H](C)C1 ZINC000387350478 357918930 /nfs/dbraw/zinc/91/89/30/357918930.db2.gz VFOVMVNMBIVODO-MRVPVSSYSA-N 1 2 214.265 -0.240 20 0 BBADLO COC(=O)CCC[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000387350483 368159283 /nfs/dbraw/zinc/15/92/83/368159283.db2.gz VFOVMVNMBIVODO-QMMMGPOBSA-N 1 2 214.265 -0.240 20 0 BBADLO COC(=O)CCC[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000387350483 368159278 /nfs/dbraw/zinc/15/92/78/368159278.db2.gz VFOVMVNMBIVODO-QMMMGPOBSA-N 1 2 214.265 -0.240 20 0 BBADLO CCOC(=O)COCC[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000387374478 368163625 /nfs/dbraw/zinc/16/36/25/368163625.db2.gz XXMRSWAZBJUVHQ-SECBINFHSA-N 1 2 244.291 -0.614 20 0 BBADLO CCOC(=O)COCC[N@H+]1CC(=O)N[C@H](C)C1 ZINC000387374478 368163622 /nfs/dbraw/zinc/16/36/22/368163622.db2.gz XXMRSWAZBJUVHQ-SECBINFHSA-N 1 2 244.291 -0.614 20 0 BBADLO CCOC(=O)COCC[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000387374481 368162797 /nfs/dbraw/zinc/16/27/97/368162797.db2.gz XXMRSWAZBJUVHQ-VIFPVBQESA-N 1 2 244.291 -0.614 20 0 BBADLO CCOC(=O)COCC[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000387374481 368162791 /nfs/dbraw/zinc/16/27/91/368162791.db2.gz XXMRSWAZBJUVHQ-VIFPVBQESA-N 1 2 244.291 -0.614 20 0 BBADLO COC(=O)N1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000387374965 368163447 /nfs/dbraw/zinc/16/34/47/368163447.db2.gz GRTMKOIHAYIIAO-DTWKUNHWSA-N 1 2 230.264 -0.870 20 0 BBADLO COC(=O)N1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000387374969 368163272 /nfs/dbraw/zinc/16/32/72/368163272.db2.gz GRTMKOIHAYIIAO-RKDXNWHRSA-N 1 2 230.264 -0.870 20 0 BBADLO COC(=O)N1CC[NH+](CCOCCO)CC1 ZINC000387453490 368202596 /nfs/dbraw/zinc/20/25/96/368202596.db2.gz VJVOFFTUICIHAI-UHFFFAOYSA-N 1 2 232.280 -0.621 20 0 BBADLO C[C@@H](O)[C@@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC000387673785 711045387 /nfs/dbraw/zinc/04/53/87/711045387.db2.gz QLJXMKDTMOMBOI-RKDXNWHRSA-N 1 2 227.264 -0.869 20 0 BBADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC000387857198 538117882 /nfs/dbraw/zinc/11/78/82/538117882.db2.gz KSBRPRBQTAIRGZ-BDAKNGLRSA-N 1 2 209.249 -0.278 20 0 BBADLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC000387857201 539014116 /nfs/dbraw/zinc/01/41/16/539014116.db2.gz KSBRPRBQTAIRGZ-DTWKUNHWSA-N 1 2 209.249 -0.278 20 0 BBADLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC000387857202 539014119 /nfs/dbraw/zinc/01/41/19/539014119.db2.gz KSBRPRBQTAIRGZ-IUCAKERBSA-N 1 2 209.249 -0.278 20 0 BBADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC000387857203 539014123 /nfs/dbraw/zinc/01/41/23/539014123.db2.gz KSBRPRBQTAIRGZ-RKDXNWHRSA-N 1 2 209.249 -0.278 20 0 BBADLO COc1c(N)nc[nH+]c1N1C[C@H](O)[C@@H](C)C1 ZINC000387997231 487723492 /nfs/dbraw/zinc/72/34/92/487723492.db2.gz YLYCLHPMIYZLIR-BQBZGAKWSA-N 1 2 224.264 -0.116 20 0 BBADLO COc1c(N)[nH+]cnc1N1C[C@H](O)[C@@H](C)C1 ZINC000387997231 487723487 /nfs/dbraw/zinc/72/34/87/487723487.db2.gz YLYCLHPMIYZLIR-BQBZGAKWSA-N 1 2 224.264 -0.116 20 0 BBADLO COc1c(N)nc[nH+]c1N1C[C@H](C)[C@H](O)C1 ZINC000387997233 490262014 /nfs/dbraw/zinc/26/20/14/490262014.db2.gz YLYCLHPMIYZLIR-NKWVEPMBSA-N 1 2 224.264 -0.116 20 0 BBADLO COc1c(N)[nH+]cnc1N1C[C@H](C)[C@H](O)C1 ZINC000387997233 490262008 /nfs/dbraw/zinc/26/20/08/490262008.db2.gz YLYCLHPMIYZLIR-NKWVEPMBSA-N 1 2 224.264 -0.116 20 0 BBADLO COc1c(N)nc[nH+]c1N1C[C@@H](C)[C@H](O)C1 ZINC000387997235 490261975 /nfs/dbraw/zinc/26/19/75/490261975.db2.gz YLYCLHPMIYZLIR-RNFRBKRXSA-N 1 2 224.264 -0.116 20 0 BBADLO COc1c(N)[nH+]cnc1N1C[C@@H](C)[C@H](O)C1 ZINC000387997235 490261969 /nfs/dbraw/zinc/26/19/69/490261969.db2.gz YLYCLHPMIYZLIR-RNFRBKRXSA-N 1 2 224.264 -0.116 20 0 BBADLO COc1c(N)nc[nH+]c1N1C[C@@H](C)[C@@H](O)C1 ZINC000387997252 490262027 /nfs/dbraw/zinc/26/20/27/490262027.db2.gz YLYCLHPMIYZLIR-RQJHMYQMSA-N 1 2 224.264 -0.116 20 0 BBADLO COc1c(N)[nH+]cnc1N1C[C@@H](C)[C@@H](O)C1 ZINC000387997252 490262023 /nfs/dbraw/zinc/26/20/23/490262023.db2.gz YLYCLHPMIYZLIR-RQJHMYQMSA-N 1 2 224.264 -0.116 20 0 BBADLO CNc1cc(N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)[nH+]cn1 ZINC000388122482 711052334 /nfs/dbraw/zinc/05/23/34/711052334.db2.gz MCQYAIHWUZDRGD-KNVOCYPGSA-N 1 2 247.258 -0.773 20 0 BBADLO CNc1cc(N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)nc[nH+]1 ZINC000388122482 711052333 /nfs/dbraw/zinc/05/23/33/711052333.db2.gz MCQYAIHWUZDRGD-KNVOCYPGSA-N 1 2 247.258 -0.773 20 0 BBADLO COCC(COC)Nc1nc(N)nc(C)[nH+]1 ZINC000388436336 397977694 /nfs/dbraw/zinc/97/76/94/397977694.db2.gz PKOLZFFNSWMVCV-UHFFFAOYSA-N 1 2 227.268 -0.334 20 0 BBADLO COCC(COC)Nc1nc(C)[nH+]c(N)n1 ZINC000388436336 397977691 /nfs/dbraw/zinc/97/76/91/397977691.db2.gz PKOLZFFNSWMVCV-UHFFFAOYSA-N 1 2 227.268 -0.334 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)c1nnc[nH]1 ZINC000388449176 347412769 /nfs/dbraw/zinc/41/27/69/347412769.db2.gz OTJIOQWQKHAREE-UHFFFAOYSA-N 1 2 206.209 -0.532 20 0 BBADLO C[C@H]1CC(=NNS(C)(=O)=O)C[N@H+]1C ZINC000388813828 711069533 /nfs/dbraw/zinc/06/95/33/711069533.db2.gz RXAWNKQUVTXMEU-LURJTMIESA-N 1 2 205.283 -0.384 20 0 BBADLO C[C@H]1CC(=NNS(C)(=O)=O)C[N@@H+]1C ZINC000388813828 711069531 /nfs/dbraw/zinc/06/95/31/711069531.db2.gz RXAWNKQUVTXMEU-LURJTMIESA-N 1 2 205.283 -0.384 20 0 BBADLO C[C@@H]1CC(=NNS(C)(=O)=O)C[N@H+]1C ZINC000388813830 711069473 /nfs/dbraw/zinc/06/94/73/711069473.db2.gz RXAWNKQUVTXMEU-ZCFIWIBFSA-N 1 2 205.283 -0.384 20 0 BBADLO C[C@@H]1CC(=NNS(C)(=O)=O)C[N@@H+]1C ZINC000388813830 711069470 /nfs/dbraw/zinc/06/94/70/711069470.db2.gz RXAWNKQUVTXMEU-ZCFIWIBFSA-N 1 2 205.283 -0.384 20 0 BBADLO Cc1nc(N)nc(NCC2(O)CCC2)[nH+]1 ZINC000389358743 398077335 /nfs/dbraw/zinc/07/73/35/398077335.db2.gz CIIGNZDGDDEINW-UHFFFAOYSA-N 1 2 209.253 -0.659 20 0 BBADLO Cc1nc(NCC2(O)CCC2)nc(N)[nH+]1 ZINC000389358743 398077332 /nfs/dbraw/zinc/07/73/32/398077332.db2.gz CIIGNZDGDDEINW-UHFFFAOYSA-N 1 2 209.253 -0.659 20 0 BBADLO Cn1ncnc1C[NH2+]CC(=O)NC1CCCC1 ZINC000389375723 398079424 /nfs/dbraw/zinc/07/94/24/398079424.db2.gz GVWUPFLYCRLSEY-UHFFFAOYSA-N 1 2 237.307 -0.037 20 0 BBADLO Cc1nc(N)nc(N(C)[C@@H]2CCOC2)[nH+]1 ZINC000389415169 398083726 /nfs/dbraw/zinc/08/37/26/398083726.db2.gz UDTIEPUFRSXNQD-SSDOTTSWSA-N 1 2 209.253 -0.182 20 0 BBADLO Cc1nc(N(C)[C@@H]2CCOC2)nc(N)[nH+]1 ZINC000389415169 398083723 /nfs/dbraw/zinc/08/37/23/398083723.db2.gz UDTIEPUFRSXNQD-SSDOTTSWSA-N 1 2 209.253 -0.182 20 0 BBADLO Cc1nc(N)nc(N(C)[C@H]2CCOC2)[nH+]1 ZINC000389415170 398325868 /nfs/dbraw/zinc/32/58/68/398325868.db2.gz UDTIEPUFRSXNQD-ZETCQYMHSA-N 1 2 209.253 -0.182 20 0 BBADLO Cc1nc(N(C)[C@H]2CCOC2)nc(N)[nH+]1 ZINC000389415170 398325865 /nfs/dbraw/zinc/32/58/65/398325865.db2.gz UDTIEPUFRSXNQD-ZETCQYMHSA-N 1 2 209.253 -0.182 20 0 BBADLO O=C(Cn1cc[nH+]c1)NC[C@@H](O)C1CC1 ZINC000389573645 356993623 /nfs/dbraw/zinc/99/36/23/356993623.db2.gz BZSPMEZJXIXQRD-SECBINFHSA-N 1 2 209.249 -0.230 20 0 BBADLO O=C(Cn1cc[nH+]c1)NC[C@H](O)C1CC1 ZINC000389573646 356993576 /nfs/dbraw/zinc/99/35/76/356993576.db2.gz BZSPMEZJXIXQRD-VIFPVBQESA-N 1 2 209.249 -0.230 20 0 BBADLO CC(=O)C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000389612950 398116642 /nfs/dbraw/zinc/11/66/42/398116642.db2.gz FCXFNGCNHCLLGO-SECBINFHSA-N 1 2 234.321 -0.459 20 0 BBADLO CC(=O)C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000389612950 398116638 /nfs/dbraw/zinc/11/66/38/398116638.db2.gz FCXFNGCNHCLLGO-SECBINFHSA-N 1 2 234.321 -0.459 20 0 BBADLO CC(=O)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000389612951 398116545 /nfs/dbraw/zinc/11/65/45/398116545.db2.gz FCXFNGCNHCLLGO-VIFPVBQESA-N 1 2 234.321 -0.459 20 0 BBADLO CC(=O)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000389612951 398116541 /nfs/dbraw/zinc/11/65/41/398116541.db2.gz FCXFNGCNHCLLGO-VIFPVBQESA-N 1 2 234.321 -0.459 20 0 BBADLO CN(C)S(=O)(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000389637668 397986776 /nfs/dbraw/zinc/98/67/76/397986776.db2.gz OYFBIZMUUQXMPR-UHFFFAOYSA-N 1 2 235.353 -0.181 20 0 BBADLO CN(C)S(=O)(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000389637668 397986771 /nfs/dbraw/zinc/98/67/71/397986771.db2.gz OYFBIZMUUQXMPR-UHFFFAOYSA-N 1 2 235.353 -0.181 20 0 BBADLO O=C(Cn1cc[nH+]c1)NCC1(O)CCC1 ZINC000389638051 539016991 /nfs/dbraw/zinc/01/69/91/539016991.db2.gz PDFSUXGKRLFMTE-UHFFFAOYSA-N 1 2 209.249 -0.086 20 0 BBADLO COC(=O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC000389741038 357023443 /nfs/dbraw/zinc/02/34/43/357023443.db2.gz VWAKYUMGXIQMKT-UHFFFAOYSA-N 1 2 211.221 -0.486 20 0 BBADLO CC[N@H+]1CC[C@@H](NS(=O)(=O)c2ncc[nH]2)C1 ZINC000389749188 398131870 /nfs/dbraw/zinc/13/18/70/398131870.db2.gz UZODEAMWQNXUDW-MRVPVSSYSA-N 1 2 244.320 -0.218 20 0 BBADLO CC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ncc[nH]2)C1 ZINC000389749188 398131868 /nfs/dbraw/zinc/13/18/68/398131868.db2.gz UZODEAMWQNXUDW-MRVPVSSYSA-N 1 2 244.320 -0.218 20 0 BBADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1nnnn1C1CC1 ZINC000389801332 537913393 /nfs/dbraw/zinc/91/33/93/537913393.db2.gz RWXQPDQJNGBAST-APPZFPTMSA-N 1 2 223.280 -0.037 20 0 BBADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1nnnn1C1CC1 ZINC000389801332 537913388 /nfs/dbraw/zinc/91/33/88/537913388.db2.gz RWXQPDQJNGBAST-APPZFPTMSA-N 1 2 223.280 -0.037 20 0 BBADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1nnnn1C1CC1 ZINC000389801337 539017527 /nfs/dbraw/zinc/01/75/27/539017527.db2.gz RWXQPDQJNGBAST-CBAPKCEASA-N 1 2 223.280 -0.037 20 0 BBADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1nnnn1C1CC1 ZINC000389801337 539017526 /nfs/dbraw/zinc/01/75/26/539017526.db2.gz RWXQPDQJNGBAST-CBAPKCEASA-N 1 2 223.280 -0.037 20 0 BBADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1nnnn1C1CC1 ZINC000389801339 537913379 /nfs/dbraw/zinc/91/33/79/537913379.db2.gz RWXQPDQJNGBAST-IONNQARKSA-N 1 2 223.280 -0.037 20 0 BBADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1nnnn1C1CC1 ZINC000389801339 537913375 /nfs/dbraw/zinc/91/33/75/537913375.db2.gz RWXQPDQJNGBAST-IONNQARKSA-N 1 2 223.280 -0.037 20 0 BBADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1nnnn1C1CC1 ZINC000389801341 539017326 /nfs/dbraw/zinc/01/73/26/539017326.db2.gz RWXQPDQJNGBAST-VXNVDRBHSA-N 1 2 223.280 -0.037 20 0 BBADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nnnn1C1CC1 ZINC000389801341 539017325 /nfs/dbraw/zinc/01/73/25/539017325.db2.gz RWXQPDQJNGBAST-VXNVDRBHSA-N 1 2 223.280 -0.037 20 0 BBADLO Cc1nc(NCCCO)nc(N(C)C)[nH+]1 ZINC000389882073 539018131 /nfs/dbraw/zinc/01/81/31/539018131.db2.gz OWBSZYXOGLNJML-UHFFFAOYSA-N 1 2 211.269 -0.538 20 0 BBADLO Cc1nc(N(C)C)nc(NCCCO)[nH+]1 ZINC000389882073 539018130 /nfs/dbraw/zinc/01/81/30/539018130.db2.gz OWBSZYXOGLNJML-UHFFFAOYSA-N 1 2 211.269 -0.538 20 0 BBADLO COc1c(N)nc[nH+]c1NCc1cn(C)nn1 ZINC000389890112 488122696 /nfs/dbraw/zinc/12/26/96/488122696.db2.gz VIGOVMGTPAYUDL-UHFFFAOYSA-N 1 2 235.251 -0.770 20 0 BBADLO COc1c(N)[nH+]cnc1NCc1cn(C)nn1 ZINC000389890112 488122693 /nfs/dbraw/zinc/12/26/93/488122693.db2.gz VIGOVMGTPAYUDL-UHFFFAOYSA-N 1 2 235.251 -0.770 20 0 BBADLO CNc1cc(NCc2cnn(C)n2)[nH+]cn1 ZINC000389933874 711098219 /nfs/dbraw/zinc/09/82/19/711098219.db2.gz MDESAVSHKLOTND-UHFFFAOYSA-N 1 2 219.252 -0.319 20 0 BBADLO CNc1cc(NCc2cnn(C)n2)nc[nH+]1 ZINC000389933874 711098215 /nfs/dbraw/zinc/09/82/15/711098215.db2.gz MDESAVSHKLOTND-UHFFFAOYSA-N 1 2 219.252 -0.319 20 0 BBADLO Cc1cc(NCc2nnn(C)n2)nc[nH+]1 ZINC000389975818 539019435 /nfs/dbraw/zinc/01/94/35/539019435.db2.gz FLRXMUANBYTUSX-UHFFFAOYSA-N 1 2 205.225 -0.657 20 0 BBADLO Cc1cc(NC[C@@H](C)S(N)(=O)=O)nc[nH+]1 ZINC000389990046 539019149 /nfs/dbraw/zinc/01/91/49/539019149.db2.gz NYDLCQLLDLRISS-SSDOTTSWSA-N 1 2 230.293 -0.704 20 0 BBADLO Cc1cc(NC[C@H](C)S(N)(=O)=O)nc[nH+]1 ZINC000389990047 539019266 /nfs/dbraw/zinc/01/92/66/539019266.db2.gz NYDLCQLLDLRISS-ZETCQYMHSA-N 1 2 230.293 -0.704 20 0 BBADLO COc1c(N)nc[nH+]c1NCc1cnn(C)n1 ZINC000390007876 711103760 /nfs/dbraw/zinc/10/37/60/711103760.db2.gz XTAUAISLYHKESC-UHFFFAOYSA-N 1 2 235.251 -0.770 20 0 BBADLO COc1c(N)[nH+]cnc1NCc1cnn(C)n1 ZINC000390007876 711103755 /nfs/dbraw/zinc/10/37/55/711103755.db2.gz XTAUAISLYHKESC-UHFFFAOYSA-N 1 2 235.251 -0.770 20 0 BBADLO CC(=O)NCC(=O)OCc1cc[nH+]c(N)c1 ZINC000390124406 712372406 /nfs/dbraw/zinc/37/24/06/712372406.db2.gz HEXZOEQJRWCWDR-UHFFFAOYSA-N 1 2 223.232 -0.327 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000390246004 259383739 /nfs/dbraw/zinc/38/37/39/259383739.db2.gz JDLSTEUDRCIBHW-BDAKNGLRSA-N 1 2 248.348 -0.241 20 0 BBADLO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000390246004 259383737 /nfs/dbraw/zinc/38/37/37/259383737.db2.gz JDLSTEUDRCIBHW-BDAKNGLRSA-N 1 2 248.348 -0.241 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000390246010 259383771 /nfs/dbraw/zinc/38/37/71/259383771.db2.gz JDLSTEUDRCIBHW-DTWKUNHWSA-N 1 2 248.348 -0.241 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000390246010 259383769 /nfs/dbraw/zinc/38/37/69/259383769.db2.gz JDLSTEUDRCIBHW-DTWKUNHWSA-N 1 2 248.348 -0.241 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000390246017 259383715 /nfs/dbraw/zinc/38/37/15/259383715.db2.gz JDLSTEUDRCIBHW-IUCAKERBSA-N 1 2 248.348 -0.241 20 0 BBADLO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000390246017 259383714 /nfs/dbraw/zinc/38/37/14/259383714.db2.gz JDLSTEUDRCIBHW-IUCAKERBSA-N 1 2 248.348 -0.241 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000390246020 323090390 /nfs/dbraw/zinc/09/03/90/323090390.db2.gz JDLSTEUDRCIBHW-RKDXNWHRSA-N 1 2 248.348 -0.241 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000390246020 323090389 /nfs/dbraw/zinc/09/03/89/323090389.db2.gz JDLSTEUDRCIBHW-RKDXNWHRSA-N 1 2 248.348 -0.241 20 0 BBADLO COc1c(N)nc[nH+]c1NCCc1cnccn1 ZINC000390293828 411681738 /nfs/dbraw/zinc/68/17/38/411681738.db2.gz IQYBHKJTHPBJED-UHFFFAOYSA-N 1 2 246.274 0.512 20 0 BBADLO COc1c(N)[nH+]cnc1NCCc1cnccn1 ZINC000390293828 411681732 /nfs/dbraw/zinc/68/17/32/411681732.db2.gz IQYBHKJTHPBJED-UHFFFAOYSA-N 1 2 246.274 0.512 20 0 BBADLO CCn1cc(CNc2nc(N)nc(C)[nH+]2)cn1 ZINC000390313733 411905101 /nfs/dbraw/zinc/90/51/01/411905101.db2.gz OKAFZCOHPRIJEK-UHFFFAOYSA-N 1 2 233.279 0.013 20 0 BBADLO CCn1cc(CNc2nc(C)[nH+]c(N)n2)cn1 ZINC000390313733 411905097 /nfs/dbraw/zinc/90/50/97/411905097.db2.gz OKAFZCOHPRIJEK-UHFFFAOYSA-N 1 2 233.279 0.013 20 0 BBADLO Cc1cc(CNc2nc(N)nc(C)[nH+]2)n(C)n1 ZINC000390345769 411952821 /nfs/dbraw/zinc/95/28/21/411952821.db2.gz HNZVQKOMSQSSHK-UHFFFAOYSA-N 1 2 233.279 -0.162 20 0 BBADLO Cc1cc(CNc2nc(C)[nH+]c(N)n2)n(C)n1 ZINC000390345769 411952816 /nfs/dbraw/zinc/95/28/16/411952816.db2.gz HNZVQKOMSQSSHK-UHFFFAOYSA-N 1 2 233.279 -0.162 20 0 BBADLO Cc1nc(N)nc(NCCCC(=O)N(C)C)[nH+]1 ZINC000390409424 411941149 /nfs/dbraw/zinc/94/11/49/411941149.db2.gz KQFSNWFTKBGTSI-UHFFFAOYSA-N 1 2 238.295 -0.536 20 0 BBADLO Cc1nc(NCCCC(=O)N(C)C)nc(N)[nH+]1 ZINC000390409424 411941144 /nfs/dbraw/zinc/94/11/44/411941144.db2.gz KQFSNWFTKBGTSI-UHFFFAOYSA-N 1 2 238.295 -0.536 20 0 BBADLO Cn1nnc(C[NH+]2CCC(CCO)CC2)n1 ZINC000390424357 357092515 /nfs/dbraw/zinc/09/25/15/357092515.db2.gz UMZDANOYBNADFM-UHFFFAOYSA-N 1 2 225.296 -0.196 20 0 BBADLO CNc1nc(C(=O)N2CC[NH+](C)CC2)cs1 ZINC000390446902 711117782 /nfs/dbraw/zinc/11/77/82/711117782.db2.gz XWOIOELDNWLFRW-UHFFFAOYSA-N 1 2 240.332 -0.006 20 0 BBADLO CS(=O)(=O)NC1CC([NH2+]Cc2ccn[nH]2)C1 ZINC000390451947 491103661 /nfs/dbraw/zinc/10/36/61/491103661.db2.gz ZYDRNNUSIVNJIW-UHFFFAOYSA-N 1 2 244.320 -0.421 20 0 BBADLO CC1(C)CN(S(=O)(=O)c2ncc[nH]2)CC[NH2+]1 ZINC000390475645 347362572 /nfs/dbraw/zinc/36/25/72/347362572.db2.gz IYMZFBAUSAMVHY-UHFFFAOYSA-N 1 2 244.320 -0.218 20 0 BBADLO CC[NH+](CC)CC[NH2+]CCC(=O)NC(N)=O ZINC000390482805 259390466 /nfs/dbraw/zinc/39/04/66/259390466.db2.gz NKTRWOGYYXOEIU-UHFFFAOYSA-N 1 2 230.312 -0.497 20 0 BBADLO Nc1[nH+]cnc(N2C[C@H](O)C[C@H](O)C2)c1Cl ZINC000390490800 539022640 /nfs/dbraw/zinc/02/26/40/539022640.db2.gz QLJOMRMQTPMVJW-OLQVQODUSA-N 1 2 244.682 -0.356 20 0 BBADLO Cn1ncc(C[NH2+][C@@H]2CCCN(C)C2=O)n1 ZINC000390531071 711124546 /nfs/dbraw/zinc/12/45/46/711124546.db2.gz INTZOJHMUBNUFF-SECBINFHSA-N 1 2 223.280 -0.475 20 0 BBADLO Cn1ncc(C[NH2+][C@H]2CCCN(C)C2=O)n1 ZINC000390531073 711124249 /nfs/dbraw/zinc/12/42/49/711124249.db2.gz INTZOJHMUBNUFF-VIFPVBQESA-N 1 2 223.280 -0.475 20 0 BBADLO CC1(C)C[NH2+]CCN1S(=O)(=O)c1ncc[nH]1 ZINC000390544218 346103865 /nfs/dbraw/zinc/10/38/65/346103865.db2.gz SYCHEVPAGQWXID-UHFFFAOYSA-N 1 2 244.320 -0.218 20 0 BBADLO CC[N@@H+](CCOCCO)Cc1cnn(C)n1 ZINC000390603931 711128546 /nfs/dbraw/zinc/12/85/46/711128546.db2.gz WYDPVLCMCFKIRW-UHFFFAOYSA-N 1 2 228.296 -0.354 20 0 BBADLO CC[N@H+](CCOCCO)Cc1cnn(C)n1 ZINC000390603931 711128544 /nfs/dbraw/zinc/12/85/44/711128544.db2.gz WYDPVLCMCFKIRW-UHFFFAOYSA-N 1 2 228.296 -0.354 20 0 BBADLO Cc1cc(NCCc2nnnn2C)nc[nH+]1 ZINC000390607274 539026486 /nfs/dbraw/zinc/02/64/86/539026486.db2.gz DABMPJVEDVURQB-UHFFFAOYSA-N 1 2 219.252 -0.615 20 0 BBADLO O=C(Cn1cc[nH+]c1)NC[C@H](O)C(F)(F)F ZINC000390625566 711129917 /nfs/dbraw/zinc/12/99/17/711129917.db2.gz JRLGUNJTGITMCY-LURJTMIESA-N 1 2 237.181 -0.078 20 0 BBADLO O=C(Cn1cc[nH+]c1)NC[C@@H](O)C(F)(F)F ZINC000390625567 539026728 /nfs/dbraw/zinc/02/67/28/539026728.db2.gz JRLGUNJTGITMCY-ZCFIWIBFSA-N 1 2 237.181 -0.078 20 0 BBADLO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1cnn(C)n1 ZINC000390634030 711129953 /nfs/dbraw/zinc/12/99/53/711129953.db2.gz LOSJDPHWDYAUKK-APPZFPTMSA-N 1 2 223.280 -0.571 20 0 BBADLO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1cnn(C)n1 ZINC000390634031 711129075 /nfs/dbraw/zinc/12/90/75/711129075.db2.gz LOSJDPHWDYAUKK-CBAPKCEASA-N 1 2 223.280 -0.571 20 0 BBADLO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cnn(C)n1 ZINC000390634032 711129766 /nfs/dbraw/zinc/12/97/66/711129766.db2.gz LOSJDPHWDYAUKK-IONNQARKSA-N 1 2 223.280 -0.571 20 0 BBADLO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cnn(C)n1 ZINC000390634033 711129247 /nfs/dbraw/zinc/12/92/47/711129247.db2.gz LOSJDPHWDYAUKK-VXNVDRBHSA-N 1 2 223.280 -0.571 20 0 BBADLO NC(=O)C1=NO[C@@H](C[NH2+]Cc2cc[nH]n2)C1 ZINC000390799709 711135045 /nfs/dbraw/zinc/13/50/45/711135045.db2.gz XBCSGOFBWGVXIU-SSDOTTSWSA-N 1 2 223.236 -0.871 20 0 BBADLO NC(=O)C1=NO[C@H](C[NH2+]Cc2cc[nH]n2)C1 ZINC000390799710 711134576 /nfs/dbraw/zinc/13/45/76/711134576.db2.gz XBCSGOFBWGVXIU-ZETCQYMHSA-N 1 2 223.236 -0.871 20 0 BBADLO CCN1C[C@H]([NH2+]Cc2ncnn2C)CC1=O ZINC000391528845 398277727 /nfs/dbraw/zinc/27/77/27/398277727.db2.gz WRXMHRKBFNQASA-MRVPVSSYSA-N 1 2 223.280 -0.475 20 0 BBADLO CCN1C[C@@H]([NH2+]Cc2ncnn2C)CC1=O ZINC000391528847 398277702 /nfs/dbraw/zinc/27/77/02/398277702.db2.gz WRXMHRKBFNQASA-QMMMGPOBSA-N 1 2 223.280 -0.475 20 0 BBADLO CCN1C[C@H](Nc2nc(N)nc(C)[nH+]2)CC1=O ZINC000391687579 411859654 /nfs/dbraw/zinc/85/96/54/411859654.db2.gz YVDRBUZUTFKAQV-SSDOTTSWSA-N 1 2 236.279 -0.205 20 0 BBADLO CCN1C[C@H](Nc2nc(C)[nH+]c(N)n2)CC1=O ZINC000391687579 411859651 /nfs/dbraw/zinc/85/96/51/411859651.db2.gz YVDRBUZUTFKAQV-SSDOTTSWSA-N 1 2 236.279 -0.205 20 0 BBADLO CCN1C[C@@H](Nc2nc(N)nc(C)[nH+]2)CC1=O ZINC000391687582 411857555 /nfs/dbraw/zinc/85/75/55/411857555.db2.gz YVDRBUZUTFKAQV-ZETCQYMHSA-N 1 2 236.279 -0.205 20 0 BBADLO CCN1C[C@@H](Nc2nc(C)[nH+]c(N)n2)CC1=O ZINC000391687582 411857554 /nfs/dbraw/zinc/85/75/54/411857554.db2.gz YVDRBUZUTFKAQV-ZETCQYMHSA-N 1 2 236.279 -0.205 20 0 BBADLO CCc1nnc(C[NH2+][C@@H]2COC[C@H]2O)s1 ZINC000391892056 711141754 /nfs/dbraw/zinc/14/17/54/711141754.db2.gz FAGHVFIMSQQRII-RNFRBKRXSA-N 1 2 229.305 -0.050 20 0 BBADLO CCc1nnc(C[NH2+][C@@H]2COC[C@@H]2O)s1 ZINC000391892057 711141988 /nfs/dbraw/zinc/14/19/88/711141988.db2.gz FAGHVFIMSQQRII-RQJHMYQMSA-N 1 2 229.305 -0.050 20 0 BBADLO C[C@H]([NH2+]CCN1CCOCC1)c1ncn(C)n1 ZINC000391961664 386708787 /nfs/dbraw/zinc/70/87/87/386708787.db2.gz OGWWRYSIAJSHMV-JTQLQIEISA-N 1 2 239.323 -0.202 20 0 BBADLO C[C@@H]([NH2+]CCN1CCOCC1)c1ncn(C)n1 ZINC000391961666 386709594 /nfs/dbraw/zinc/70/95/94/386709594.db2.gz OGWWRYSIAJSHMV-SNVBAGLBSA-N 1 2 239.323 -0.202 20 0 BBADLO [NH3+]CC1(C(=O)NCc2n[nH]c(=O)[nH]2)CCCC1 ZINC000392336818 387955172 /nfs/dbraw/zinc/95/51/72/387955172.db2.gz IBEGZSMNXFZAPI-UHFFFAOYSA-N 1 2 239.279 -0.354 20 0 BBADLO CC(C)[C@H](C[NH3+])C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000392346056 387957395 /nfs/dbraw/zinc/95/73/95/387957395.db2.gz NECAOKQEQFHKBK-LURJTMIESA-N 1 2 227.268 -0.643 20 0 BBADLO CC(C)[C@@H](C[NH3+])C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000392346061 387956859 /nfs/dbraw/zinc/95/68/59/387956859.db2.gz NECAOKQEQFHKBK-ZCFIWIBFSA-N 1 2 227.268 -0.643 20 0 BBADLO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000392377817 357149068 /nfs/dbraw/zinc/14/90/68/357149068.db2.gz DTQPXHKCPXNKRH-NTSWFWBYSA-N 1 2 212.253 -0.241 20 0 BBADLO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000392377819 357148909 /nfs/dbraw/zinc/14/89/09/357148909.db2.gz DTQPXHKCPXNKRH-PHDIDXHHSA-N 1 2 212.253 -0.241 20 0 BBADLO CC1(C)[C@H]([NH2+]Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC000392377820 357148647 /nfs/dbraw/zinc/14/86/47/357148647.db2.gz DTQPXHKCPXNKRH-RITPCOANSA-N 1 2 212.253 -0.241 20 0 BBADLO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000392377822 357149158 /nfs/dbraw/zinc/14/91/58/357149158.db2.gz DTQPXHKCPXNKRH-WDSKDSINSA-N 1 2 212.253 -0.241 20 0 BBADLO CN(C)c1nc(NCc2n[nH]c(=O)[nH]2)cc[nH+]1 ZINC000392513229 412200726 /nfs/dbraw/zinc/20/07/26/412200726.db2.gz LQBPYANHNQHODN-UHFFFAOYSA-N 1 2 235.251 -0.022 20 0 BBADLO [NH3+]C1(C(=O)NCc2n[nH]c(=O)[nH]2)CCCCC1 ZINC000392536431 387143661 /nfs/dbraw/zinc/14/36/61/387143661.db2.gz RFCITDNNFSSPJB-UHFFFAOYSA-N 1 2 239.279 -0.212 20 0 BBADLO O=C(NCc1n[nH]c(=O)[nH]1)[C@@H]1CCCC[NH2+]1 ZINC000392547202 387162351 /nfs/dbraw/zinc/16/23/51/387162351.db2.gz VUAVYJXODMPCGP-LURJTMIESA-N 1 2 225.252 -0.731 20 0 BBADLO O=C(NCc1n[nH]c(=O)[nH]1)[C@H]1CCCC[NH2+]1 ZINC000392547208 387160970 /nfs/dbraw/zinc/16/09/70/387160970.db2.gz VUAVYJXODMPCGP-ZCFIWIBFSA-N 1 2 225.252 -0.731 20 0 BBADLO C[C@]1(C(=O)NCc2n[nH]c(=O)[nH]2)CCC[NH2+]1 ZINC000392555808 398333938 /nfs/dbraw/zinc/33/39/38/398333938.db2.gz IGOLORMHMGXYDD-SECBINFHSA-N 1 2 225.252 -0.731 20 0 BBADLO CC(C)(C)[C@H]([NH3+])C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000392559588 387172965 /nfs/dbraw/zinc/17/29/65/387172965.db2.gz DEOCRUSROZVUOM-ZCFIWIBFSA-N 1 2 227.268 -0.500 20 0 BBADLO Cn1nnc(C[NH2+][C@@H]2CCOC2(C)C)n1 ZINC000392960939 357266009 /nfs/dbraw/zinc/26/60/09/357266009.db2.gz QJZDIMRODBQFIL-SSDOTTSWSA-N 1 2 211.269 -0.133 20 0 BBADLO Cn1nnc(C[NH2+][C@H]2CCOC2(C)C)n1 ZINC000392960941 357266325 /nfs/dbraw/zinc/26/63/25/357266325.db2.gz QJZDIMRODBQFIL-ZETCQYMHSA-N 1 2 211.269 -0.133 20 0 BBADLO CCn1ncnc1C[NH2+]CC(=O)NCC1CC1 ZINC000393066283 410292825 /nfs/dbraw/zinc/29/28/25/410292825.db2.gz VAHWZNAJNBREFR-UHFFFAOYSA-N 1 2 237.307 -0.086 20 0 BBADLO COC[C@@](C)(CO)[NH2+]Cc1cnn(C)n1 ZINC000393224766 711675589 /nfs/dbraw/zinc/67/55/89/711675589.db2.gz SDPCULRGWXTQGF-SECBINFHSA-N 1 2 214.269 -0.698 20 0 BBADLO COC[C@](C)(CO)[NH2+]Cc1cnn(C)n1 ZINC000393224773 711675567 /nfs/dbraw/zinc/67/55/67/711675567.db2.gz SDPCULRGWXTQGF-VIFPVBQESA-N 1 2 214.269 -0.698 20 0 BBADLO Cn1ncc(C[NH2+]C(C)(C)CS(C)(=O)=O)n1 ZINC000393340377 711157156 /nfs/dbraw/zinc/15/71/56/711157156.db2.gz YZZUDZVOHUKHEI-UHFFFAOYSA-N 1 2 246.336 -0.272 20 0 BBADLO CO[C@H](CNc1nc(N)nc(C)[nH+]1)C1CC1 ZINC000393485041 410698594 /nfs/dbraw/zinc/69/85/94/410698594.db2.gz KMXDQNSOODFOHD-MRVPVSSYSA-N 1 2 223.280 -0.149 20 0 BBADLO CO[C@H](CNc1nc(C)[nH+]c(N)n1)C1CC1 ZINC000393485041 410698589 /nfs/dbraw/zinc/69/85/89/410698589.db2.gz KMXDQNSOODFOHD-MRVPVSSYSA-N 1 2 223.280 -0.149 20 0 BBADLO CO[C@@H](CNc1nc(N)nc(C)[nH+]1)C1CC1 ZINC000393485043 410698818 /nfs/dbraw/zinc/69/88/18/410698818.db2.gz KMXDQNSOODFOHD-QMMMGPOBSA-N 1 2 223.280 -0.149 20 0 BBADLO CO[C@@H](CNc1nc(C)[nH+]c(N)n1)C1CC1 ZINC000393485043 410698813 /nfs/dbraw/zinc/69/88/13/410698813.db2.gz KMXDQNSOODFOHD-QMMMGPOBSA-N 1 2 223.280 -0.149 20 0 BBADLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC[N+](=O)[O-] ZINC000393546091 711162837 /nfs/dbraw/zinc/16/28/37/711162837.db2.gz GLNFAVNVORHRSP-CPFSXVBKSA-N 1 2 208.283 -0.038 20 0 BBADLO C[C@@H](C[S@](C)=O)[N@H+](C)CC[N+](=O)[O-] ZINC000393546091 711162833 /nfs/dbraw/zinc/16/28/33/711162833.db2.gz GLNFAVNVORHRSP-CPFSXVBKSA-N 1 2 208.283 -0.038 20 0 BBADLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC[N+](=O)[O-] ZINC000393546093 711163195 /nfs/dbraw/zinc/16/31/95/711163195.db2.gz GLNFAVNVORHRSP-FUXBKTLASA-N 1 2 208.283 -0.038 20 0 BBADLO C[C@H](C[S@@](C)=O)[N@H+](C)CC[N+](=O)[O-] ZINC000393546093 711163193 /nfs/dbraw/zinc/16/31/93/711163193.db2.gz GLNFAVNVORHRSP-FUXBKTLASA-N 1 2 208.283 -0.038 20 0 BBADLO C[C@H](C[S@](C)=O)[N@@H+](C)CC[N+](=O)[O-] ZINC000393546095 711163465 /nfs/dbraw/zinc/16/34/65/711163465.db2.gz GLNFAVNVORHRSP-UHLUBPPHSA-N 1 2 208.283 -0.038 20 0 BBADLO C[C@H](C[S@](C)=O)[N@H+](C)CC[N+](=O)[O-] ZINC000393546095 711163463 /nfs/dbraw/zinc/16/34/63/711163463.db2.gz GLNFAVNVORHRSP-UHLUBPPHSA-N 1 2 208.283 -0.038 20 0 BBADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC[N+](=O)[O-] ZINC000393546097 711163048 /nfs/dbraw/zinc/16/30/48/711163048.db2.gz GLNFAVNVORHRSP-WPPNPWJKSA-N 1 2 208.283 -0.038 20 0 BBADLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC[N+](=O)[O-] ZINC000393546097 711163047 /nfs/dbraw/zinc/16/30/47/711163047.db2.gz GLNFAVNVORHRSP-WPPNPWJKSA-N 1 2 208.283 -0.038 20 0 BBADLO CCC[NH+]1CC(NC(=O)c2nnc[nH]2)C1 ZINC000393600817 711165624 /nfs/dbraw/zinc/16/56/24/711165624.db2.gz RXEKBLGHRBSXBI-UHFFFAOYSA-N 1 2 209.253 -0.371 20 0 BBADLO Cc1nc(NCc2cn(C)nn2)cc[nH+]1 ZINC000393612424 582916682 /nfs/dbraw/zinc/91/66/82/582916682.db2.gz FJVXGMLHFHTGQC-UHFFFAOYSA-N 1 2 204.237 -0.052 20 0 BBADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCF)C1 ZINC000393721571 711170233 /nfs/dbraw/zinc/17/02/33/711170233.db2.gz XEFIOIMZQFPCLQ-SSDOTTSWSA-N 1 2 210.274 -0.421 20 0 BBADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CCF)C1 ZINC000393721571 711170230 /nfs/dbraw/zinc/17/02/30/711170230.db2.gz XEFIOIMZQFPCLQ-SSDOTTSWSA-N 1 2 210.274 -0.421 20 0 BBADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CCF)C1 ZINC000393721574 711170754 /nfs/dbraw/zinc/17/07/54/711170754.db2.gz XEFIOIMZQFPCLQ-ZETCQYMHSA-N 1 2 210.274 -0.421 20 0 BBADLO CNS(=O)(=O)[C@H]1CC[N@H+](CCF)C1 ZINC000393721574 711170752 /nfs/dbraw/zinc/17/07/52/711170752.db2.gz XEFIOIMZQFPCLQ-ZETCQYMHSA-N 1 2 210.274 -0.421 20 0 BBADLO COCCONC(=O)CCn1cc[nH+]c1 ZINC000393731907 711676903 /nfs/dbraw/zinc/67/69/03/711676903.db2.gz CDFUKBKNUFVCJL-UHFFFAOYSA-N 1 2 213.237 -0.033 20 0 BBADLO O=C(Cn1cc[nH+]c1)N(CCO)C1CC1 ZINC000393744509 259711130 /nfs/dbraw/zinc/71/11/30/259711130.db2.gz LTHHSKXYCPWBCW-UHFFFAOYSA-N 1 2 209.249 -0.134 20 0 BBADLO COC(C)(C)CNc1nc(N)nc(C)[nH+]1 ZINC000393761356 411860433 /nfs/dbraw/zinc/86/04/33/411860433.db2.gz LYVJJTDSKMXMDP-UHFFFAOYSA-N 1 2 211.269 0.021 20 0 BBADLO COC(C)(C)CNc1nc(C)[nH+]c(N)n1 ZINC000393761356 411860426 /nfs/dbraw/zinc/86/04/26/411860426.db2.gz LYVJJTDSKMXMDP-UHFFFAOYSA-N 1 2 211.269 0.021 20 0 BBADLO CCc1noc(C[N@@H+](CCO)C[C@@H](C)O)n1 ZINC000393768927 582923131 /nfs/dbraw/zinc/92/31/31/582923131.db2.gz FXRXRHVAJDQDKE-MRVPVSSYSA-N 1 2 229.280 -0.193 20 0 BBADLO CCc1noc(C[N@H+](CCO)C[C@@H](C)O)n1 ZINC000393768927 582923130 /nfs/dbraw/zinc/92/31/30/582923130.db2.gz FXRXRHVAJDQDKE-MRVPVSSYSA-N 1 2 229.280 -0.193 20 0 BBADLO CCc1noc(C[N@@H+](CCO)C[C@H](C)O)n1 ZINC000393768928 582922525 /nfs/dbraw/zinc/92/25/25/582922525.db2.gz FXRXRHVAJDQDKE-QMMMGPOBSA-N 1 2 229.280 -0.193 20 0 BBADLO CCc1noc(C[N@H+](CCO)C[C@H](C)O)n1 ZINC000393768928 582922523 /nfs/dbraw/zinc/92/25/23/582922523.db2.gz FXRXRHVAJDQDKE-QMMMGPOBSA-N 1 2 229.280 -0.193 20 0 BBADLO CS(=O)(=O)NCCCNc1cc[nH+]cc1F ZINC000393804015 582925612 /nfs/dbraw/zinc/92/56/12/582925612.db2.gz VIWHPVCDFLUUDE-UHFFFAOYSA-N 1 2 247.295 -0.006 20 0 BBADLO CCN(CC)C(=O)C[NH2+]Cc1cnn(C)n1 ZINC000393807868 710759738 /nfs/dbraw/zinc/75/97/38/710759738.db2.gz QGWNXWWVNSMCOW-UHFFFAOYSA-N 1 2 225.296 -0.227 20 0 BBADLO COC(=O)[C@H]([NH2+]CC1(CO)COC1)C(C)C ZINC000393808357 357301357 /nfs/dbraw/zinc/30/13/57/357301357.db2.gz RRQLXUSNLULVRZ-SECBINFHSA-N 1 2 231.292 -0.218 20 0 BBADLO COC(=O)[C@@H]([NH2+]CC1(CO)COC1)C(C)C ZINC000393808360 357301139 /nfs/dbraw/zinc/30/11/39/357301139.db2.gz RRQLXUSNLULVRZ-VIFPVBQESA-N 1 2 231.292 -0.218 20 0 BBADLO CC[C@@H]1C(=O)NCCN1C(=O)Cn1cc[nH+]c1 ZINC000393850776 357303059 /nfs/dbraw/zinc/30/30/59/357303059.db2.gz WRDFYMCTTCYBJU-SECBINFHSA-N 1 2 236.275 -0.380 20 0 BBADLO CC[C@H]1C(=O)NCCN1C(=O)Cn1cc[nH+]c1 ZINC000393850777 357303245 /nfs/dbraw/zinc/30/32/45/357303245.db2.gz WRDFYMCTTCYBJU-VIFPVBQESA-N 1 2 236.275 -0.380 20 0 BBADLO Cc1cc(NCC(C)(CO)CO)nc[nH+]1 ZINC000393857579 487587002 /nfs/dbraw/zinc/58/70/02/487587002.db2.gz PVYMYTDNOYUWPT-UHFFFAOYSA-N 1 2 211.265 -0.390 20 0 BBADLO Cc1nc(NCC(C)(CO)CO)cc[nH+]1 ZINC000393867997 410764332 /nfs/dbraw/zinc/76/43/32/410764332.db2.gz JZTGJTKNCDROGG-UHFFFAOYSA-N 1 2 211.265 -0.390 20 0 BBADLO CCc1cc(NCC(C)(CO)CO)nc[nH+]1 ZINC000393870451 487587354 /nfs/dbraw/zinc/58/73/54/487587354.db2.gz XDHFDHPAUAWBMT-UHFFFAOYSA-N 1 2 225.292 -0.136 20 0 BBADLO CC(CO)(CO)CNC(=O)CCn1cc[nH+]c1 ZINC000393871881 344000725 /nfs/dbraw/zinc/00/07/25/344000725.db2.gz LPCKOAKHVOJUQH-UHFFFAOYSA-N 1 2 241.291 -0.620 20 0 BBADLO Cc1nnc(CC[NH2+]Cc2cnn(C)n2)[nH]1 ZINC000393972862 711680824 /nfs/dbraw/zinc/68/08/24/711680824.db2.gz SGNMVXPFWMIILT-UHFFFAOYSA-N 1 2 221.268 -0.426 20 0 BBADLO Cc1nc(CC[NH2+]Cc2cnn(C)n2)n[nH]1 ZINC000393972862 711680822 /nfs/dbraw/zinc/68/08/22/711680822.db2.gz SGNMVXPFWMIILT-UHFFFAOYSA-N 1 2 221.268 -0.426 20 0 BBADLO Cc1nc(N)nc(NC[C@H](CO)C(C)C)[nH+]1 ZINC000394034625 411945442 /nfs/dbraw/zinc/94/54/42/411945442.db2.gz KZXRZQRSNXODIY-MRVPVSSYSA-N 1 2 225.296 -0.139 20 0 BBADLO Cc1nc(NC[C@H](CO)C(C)C)nc(N)[nH+]1 ZINC000394034625 411945438 /nfs/dbraw/zinc/94/54/38/411945438.db2.gz KZXRZQRSNXODIY-MRVPVSSYSA-N 1 2 225.296 -0.139 20 0 BBADLO Cc1nc(N)nc(NC[C@@H](CO)C(C)C)[nH+]1 ZINC000394034634 411944195 /nfs/dbraw/zinc/94/41/95/411944195.db2.gz KZXRZQRSNXODIY-QMMMGPOBSA-N 1 2 225.296 -0.139 20 0 BBADLO Cc1nc(NC[C@@H](CO)C(C)C)nc(N)[nH+]1 ZINC000394034634 411944192 /nfs/dbraw/zinc/94/41/92/411944192.db2.gz KZXRZQRSNXODIY-QMMMGPOBSA-N 1 2 225.296 -0.139 20 0 BBADLO Cc1cc(NCCn2cnnc2)nc[nH+]1 ZINC000394445935 410796802 /nfs/dbraw/zinc/79/68/02/410796802.db2.gz MUSSOTRLWCGXFG-UHFFFAOYSA-N 1 2 204.237 -0.089 20 0 BBADLO COCC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000394635352 410814266 /nfs/dbraw/zinc/81/42/66/410814266.db2.gz JRBJXFKGHOBPCD-LLVKDONJSA-N 1 2 242.319 -0.044 20 0 BBADLO COCC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000394635353 410814440 /nfs/dbraw/zinc/81/44/40/410814440.db2.gz JRBJXFKGHOBPCD-NSHDSACASA-N 1 2 242.319 -0.044 20 0 BBADLO CCc1cc(NC[C@@H]2C[NH+]3CCN2CC3)ncn1 ZINC000394679627 583008802 /nfs/dbraw/zinc/00/88/02/583008802.db2.gz BVCDTWNQULXJDJ-GFCCVEGCSA-N 1 2 247.346 -0.127 20 0 BBADLO CCc1cc(NC[C@H]2C[NH+]3CCN2CC3)ncn1 ZINC000394679629 583008310 /nfs/dbraw/zinc/00/83/10/583008310.db2.gz BVCDTWNQULXJDJ-LBPRGKRZSA-N 1 2 247.346 -0.127 20 0 BBADLO Cc1ccc(NC[C@@H]2CN3CC[NH+]2CC3)nn1 ZINC000394702744 487781323 /nfs/dbraw/zinc/78/13/23/487781323.db2.gz QZDFRZHUTIGJEV-LLVKDONJSA-N 1 2 233.319 -0.381 20 0 BBADLO Cc1ccc(NC[C@@H]2C[NH+]3CCN2CC3)nn1 ZINC000394702744 487781320 /nfs/dbraw/zinc/78/13/20/487781320.db2.gz QZDFRZHUTIGJEV-LLVKDONJSA-N 1 2 233.319 -0.381 20 0 BBADLO Cc1ccc(NC[C@H]2CN3CC[NH+]2CC3)nn1 ZINC000394702745 487781348 /nfs/dbraw/zinc/78/13/48/487781348.db2.gz QZDFRZHUTIGJEV-NSHDSACASA-N 1 2 233.319 -0.381 20 0 BBADLO Cc1ccc(NC[C@H]2C[NH+]3CCN2CC3)nn1 ZINC000394702745 487781344 /nfs/dbraw/zinc/78/13/44/487781344.db2.gz QZDFRZHUTIGJEV-NSHDSACASA-N 1 2 233.319 -0.381 20 0 BBADLO Cc1cc(C)nc(NC[C@@H]2C[NH+]3CCN2CC3)n1 ZINC000394709479 412316537 /nfs/dbraw/zinc/31/65/37/412316537.db2.gz UUVUQGOVHKZZDX-GFCCVEGCSA-N 1 2 247.346 0.505 20 0 BBADLO Cc1cc(C)nc(NC[C@H]2C[NH+]3CCN2CC3)n1 ZINC000394709481 412317149 /nfs/dbraw/zinc/31/71/49/412317149.db2.gz UUVUQGOVHKZZDX-LBPRGKRZSA-N 1 2 247.346 0.505 20 0 BBADLO Cc1nsc(NC[C@H]2C[NH2+]CCN2C)n1 ZINC000394739806 357373326 /nfs/dbraw/zinc/37/33/26/357373326.db2.gz LUUBRSSDISAQKD-MRVPVSSYSA-N 1 2 227.337 -0.416 20 0 BBADLO Cc1nsc(NC[C@@H]2C[NH2+]CCN2C)n1 ZINC000394739817 357373385 /nfs/dbraw/zinc/37/33/85/357373385.db2.gz LUUBRSSDISAQKD-QMMMGPOBSA-N 1 2 227.337 -0.416 20 0 BBADLO CCc1nsc(NC[C@H]2C[NH2+]CCN2C)n1 ZINC000394748949 410820508 /nfs/dbraw/zinc/82/05/08/410820508.db2.gz ZXDORSUIODKORV-MRVPVSSYSA-N 1 2 241.364 -0.162 20 0 BBADLO CCc1nsc(NC[C@@H]2C[NH2+]CCN2C)n1 ZINC000394748950 410821692 /nfs/dbraw/zinc/82/16/92/410821692.db2.gz ZXDORSUIODKORV-QMMMGPOBSA-N 1 2 241.364 -0.162 20 0 BBADLO CCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394793387 487809344 /nfs/dbraw/zinc/80/93/44/487809344.db2.gz JYNRJEAHDYICLV-JTQLQIEISA-N 1 2 211.309 -0.098 20 0 BBADLO CCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394793387 487809340 /nfs/dbraw/zinc/80/93/40/487809340.db2.gz JYNRJEAHDYICLV-JTQLQIEISA-N 1 2 211.309 -0.098 20 0 BBADLO CCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394793390 487809407 /nfs/dbraw/zinc/80/94/07/487809407.db2.gz JYNRJEAHDYICLV-SNVBAGLBSA-N 1 2 211.309 -0.098 20 0 BBADLO CCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394793390 487809404 /nfs/dbraw/zinc/80/94/04/487809404.db2.gz JYNRJEAHDYICLV-SNVBAGLBSA-N 1 2 211.309 -0.098 20 0 BBADLO S=C(NC[C@H]1C[NH+]2CCN1CC2)NC1CC1 ZINC000394796086 711198073 /nfs/dbraw/zinc/19/80/73/711198073.db2.gz LMHOVDCEHWBXMJ-JTQLQIEISA-N 1 2 240.376 -0.387 20 0 BBADLO S=C(NC[C@@H]1C[NH+]2CCN1CC2)NC1CC1 ZINC000394796095 711197764 /nfs/dbraw/zinc/19/77/64/711197764.db2.gz LMHOVDCEHWBXMJ-SNVBAGLBSA-N 1 2 240.376 -0.387 20 0 BBADLO CC(C)NC(=S)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000394805272 711198005 /nfs/dbraw/zinc/19/80/05/711198005.db2.gz PKELNZPNEGPILC-SNVBAGLBSA-N 1 2 242.392 -0.141 20 0 BBADLO Fc1cc(NC[C@@H]2C[NH+]3CCN2CC3)ncn1 ZINC000394806247 711197679 /nfs/dbraw/zinc/19/76/79/711197679.db2.gz QABGLOGQGVZXCG-SECBINFHSA-N 1 2 237.282 -0.551 20 0 BBADLO Fc1cc(NC[C@H]2C[NH+]3CCN2CC3)ncn1 ZINC000394806253 711198039 /nfs/dbraw/zinc/19/80/39/711198039.db2.gz QABGLOGQGVZXCG-VIFPVBQESA-N 1 2 237.282 -0.551 20 0 BBADLO CCNC(=S)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000394813861 711197933 /nfs/dbraw/zinc/19/79/33/711197933.db2.gz UKCVXPOKEXJQJQ-SECBINFHSA-N 1 2 228.365 -0.530 20 0 BBADLO CCNC(=S)NC[C@H]1C[NH+]2CCN1CC2 ZINC000394813862 711197824 /nfs/dbraw/zinc/19/78/24/711197824.db2.gz UKCVXPOKEXJQJQ-VIFPVBQESA-N 1 2 228.365 -0.530 20 0 BBADLO CCCNC(=S)NC[C@H]1C[NH+]2CCN1CC2 ZINC000394821969 711690312 /nfs/dbraw/zinc/69/03/12/711690312.db2.gz XSFDYNFLTNXIEQ-JTQLQIEISA-N 1 2 242.392 -0.140 20 0 BBADLO CCCNC(=S)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000394821972 711197856 /nfs/dbraw/zinc/19/78/56/711197856.db2.gz XSFDYNFLTNXIEQ-SNVBAGLBSA-N 1 2 242.392 -0.140 20 0 BBADLO CCNC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394835169 711198912 /nfs/dbraw/zinc/19/89/12/711198912.db2.gz GRTYSZCTYSWCMI-JTQLQIEISA-N 1 2 226.324 -0.305 20 0 BBADLO CCNC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394835169 711198908 /nfs/dbraw/zinc/19/89/08/711198908.db2.gz GRTYSZCTYSWCMI-JTQLQIEISA-N 1 2 226.324 -0.305 20 0 BBADLO CCNC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394835172 711198831 /nfs/dbraw/zinc/19/88/31/711198831.db2.gz GRTYSZCTYSWCMI-SNVBAGLBSA-N 1 2 226.324 -0.305 20 0 BBADLO CCNC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394835172 711198826 /nfs/dbraw/zinc/19/88/26/711198826.db2.gz GRTYSZCTYSWCMI-SNVBAGLBSA-N 1 2 226.324 -0.305 20 0 BBADLO CNc1cc(NCc2cnnn2C)[nH+]cn1 ZINC000394946044 711200268 /nfs/dbraw/zinc/20/02/68/711200268.db2.gz FIDHSOZEMMCUDC-UHFFFAOYSA-N 1 2 219.252 -0.319 20 0 BBADLO CNc1cc(NCc2cnnn2C)nc[nH+]1 ZINC000394946044 711200265 /nfs/dbraw/zinc/20/02/65/711200265.db2.gz FIDHSOZEMMCUDC-UHFFFAOYSA-N 1 2 219.252 -0.319 20 0 BBADLO Cc1nc(N)nc(N[C@@H](C)CC(C)(C)O)[nH+]1 ZINC000395075120 411943126 /nfs/dbraw/zinc/94/31/26/411943126.db2.gz ZYZNZCLTVMWMBZ-LURJTMIESA-N 1 2 225.296 0.146 20 0 BBADLO Cc1nc(N[C@@H](C)CC(C)(C)O)nc(N)[nH+]1 ZINC000395075120 411943120 /nfs/dbraw/zinc/94/31/20/411943120.db2.gz ZYZNZCLTVMWMBZ-LURJTMIESA-N 1 2 225.296 0.146 20 0 BBADLO Cc1nc(N)nc(N[C@H](C)CC(C)(C)O)[nH+]1 ZINC000395075122 411946970 /nfs/dbraw/zinc/94/69/70/411946970.db2.gz ZYZNZCLTVMWMBZ-ZCFIWIBFSA-N 1 2 225.296 0.146 20 0 BBADLO Cc1nc(N[C@H](C)CC(C)(C)O)nc(N)[nH+]1 ZINC000395075122 411946966 /nfs/dbraw/zinc/94/69/66/411946966.db2.gz ZYZNZCLTVMWMBZ-ZCFIWIBFSA-N 1 2 225.296 0.146 20 0 BBADLO CN1C(=O)CC[C@@H]([NH2+]Cc2cocn2)C1=O ZINC000395129754 355580330 /nfs/dbraw/zinc/58/03/30/355580330.db2.gz PROIBPVYCDAHLH-MRVPVSSYSA-N 1 2 223.232 -0.088 20 0 BBADLO CN1C(=O)CC[C@H]([NH2+]Cc2cocn2)C1=O ZINC000395129757 357410025 /nfs/dbraw/zinc/41/00/25/357410025.db2.gz PROIBPVYCDAHLH-QMMMGPOBSA-N 1 2 223.232 -0.088 20 0 BBADLO CO[C@@H]1CN(c2cc(C)[nH+]cn2)C[C@H]1O ZINC000395274159 487847792 /nfs/dbraw/zinc/84/77/92/487847792.db2.gz PBPPWABNZQSPQY-RKDXNWHRSA-N 1 2 209.249 -0.019 20 0 BBADLO CO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC000395331928 357425422 /nfs/dbraw/zinc/42/54/22/357425422.db2.gz ZIYAUAKANALGGZ-RKDXNWHRSA-N 1 2 225.248 -0.899 20 0 BBADLO CCn1ncnc1C[N@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000395347602 388151044 /nfs/dbraw/zinc/15/10/44/388151044.db2.gz JWBMDBRIPJOACL-RKDXNWHRSA-N 1 2 226.280 -0.511 20 0 BBADLO CCn1ncnc1C[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000395347602 388151041 /nfs/dbraw/zinc/15/10/41/388151041.db2.gz JWBMDBRIPJOACL-RKDXNWHRSA-N 1 2 226.280 -0.511 20 0 BBADLO COC(=O)N1CC[NH+](CC(OC)OC)CC1 ZINC000395694875 387311377 /nfs/dbraw/zinc/31/13/77/387311377.db2.gz CWTKIMRNDYBTLI-UHFFFAOYSA-N 1 2 232.280 -0.011 20 0 BBADLO COc1c(N)nc[nH+]c1N1CC(=O)N[C@@H](C)C1 ZINC000395703394 357454158 /nfs/dbraw/zinc/45/41/58/357454158.db2.gz MMOGWMMBJLWRMV-LURJTMIESA-N 1 2 237.263 -0.608 20 0 BBADLO COc1c(N)[nH+]cnc1N1CC(=O)N[C@@H](C)C1 ZINC000395703394 357454155 /nfs/dbraw/zinc/45/41/55/357454155.db2.gz MMOGWMMBJLWRMV-LURJTMIESA-N 1 2 237.263 -0.608 20 0 BBADLO COc1c(N)nc[nH+]c1N1CC(=O)N[C@H](C)C1 ZINC000395703395 357453734 /nfs/dbraw/zinc/45/37/34/357453734.db2.gz MMOGWMMBJLWRMV-ZCFIWIBFSA-N 1 2 237.263 -0.608 20 0 BBADLO COc1c(N)[nH+]cnc1N1CC(=O)N[C@H](C)C1 ZINC000395703395 357453729 /nfs/dbraw/zinc/45/37/29/357453729.db2.gz MMOGWMMBJLWRMV-ZCFIWIBFSA-N 1 2 237.263 -0.608 20 0 BBADLO CCOC(=O)C[N@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000395761520 323241645 /nfs/dbraw/zinc/24/16/45/323241645.db2.gz LYKMXHMCBKREEB-HTQZYQBOSA-N 1 2 203.238 -0.759 20 0 BBADLO CCOC(=O)C[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000395761520 323241643 /nfs/dbraw/zinc/24/16/43/323241643.db2.gz LYKMXHMCBKREEB-HTQZYQBOSA-N 1 2 203.238 -0.759 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000395843632 323243776 /nfs/dbraw/zinc/24/37/76/323243776.db2.gz JJTUDUVKBBYRQT-DJLDLDEBSA-N 1 2 217.265 -0.371 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000395843632 323243771 /nfs/dbraw/zinc/24/37/71/323243771.db2.gz JJTUDUVKBBYRQT-DJLDLDEBSA-N 1 2 217.265 -0.371 20 0 BBADLO CCOC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000395843634 323244245 /nfs/dbraw/zinc/24/42/45/323244245.db2.gz JJTUDUVKBBYRQT-IWSPIJDZSA-N 1 2 217.265 -0.371 20 0 BBADLO CCOC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000395843634 323244243 /nfs/dbraw/zinc/24/42/43/323244243.db2.gz JJTUDUVKBBYRQT-IWSPIJDZSA-N 1 2 217.265 -0.371 20 0 BBADLO Cc1nc(N)nc(NCCC2(CO)CC2)[nH+]1 ZINC000395886657 411942855 /nfs/dbraw/zinc/94/28/55/411942855.db2.gz XNCHDDXWKQBPGB-UHFFFAOYSA-N 1 2 223.280 -0.241 20 0 BBADLO Cc1nc(NCCC2(CO)CC2)nc(N)[nH+]1 ZINC000395886657 411942850 /nfs/dbraw/zinc/94/28/50/411942850.db2.gz XNCHDDXWKQBPGB-UHFFFAOYSA-N 1 2 223.280 -0.241 20 0 BBADLO CO[C@@H]1CN(c2cc(CO)cc[nH+]2)C[C@H]1O ZINC000395990978 362804549 /nfs/dbraw/zinc/80/45/49/362804549.db2.gz IYOLMALTRNCFCT-NXEZZACHSA-N 1 2 224.260 -0.230 20 0 BBADLO CO[C@@H]1C[N@@H+](CC(=O)c2cccn2C)C[C@H]1O ZINC000396000291 323283334 /nfs/dbraw/zinc/28/33/34/323283334.db2.gz LRQDSMTWEPEAQB-VXGBXAGGSA-N 1 2 238.287 -0.101 20 0 BBADLO CO[C@@H]1C[N@H+](CC(=O)c2cccn2C)C[C@H]1O ZINC000396000291 323283331 /nfs/dbraw/zinc/28/33/31/323283331.db2.gz LRQDSMTWEPEAQB-VXGBXAGGSA-N 1 2 238.287 -0.101 20 0 BBADLO COc1c(N)nc[nH+]c1N1C[C@@H](O)[C@H](OC)C1 ZINC000396059557 357469833 /nfs/dbraw/zinc/46/98/33/357469833.db2.gz GSZMJPQPCDDIFP-RNFRBKRXSA-N 1 2 240.263 -0.737 20 0 BBADLO COc1c(N)[nH+]cnc1N1C[C@@H](O)[C@H](OC)C1 ZINC000396059557 357469829 /nfs/dbraw/zinc/46/98/29/357469829.db2.gz GSZMJPQPCDDIFP-RNFRBKRXSA-N 1 2 240.263 -0.737 20 0 BBADLO Cn1nnc(C[NH2+][C@H]2COC(C)(C)C2)n1 ZINC000396474464 357481505 /nfs/dbraw/zinc/48/15/05/357481505.db2.gz QQYRBMVYOBJBCH-SSDOTTSWSA-N 1 2 211.269 -0.133 20 0 BBADLO Cn1nnc(C[NH2+][C@@H]2COC(C)(C)C2)n1 ZINC000396474466 357481622 /nfs/dbraw/zinc/48/16/22/357481622.db2.gz QQYRBMVYOBJBCH-ZETCQYMHSA-N 1 2 211.269 -0.133 20 0 BBADLO O=C(c1ccncn1)N1CC[NH+](CCO)CC1 ZINC000396476525 711220925 /nfs/dbraw/zinc/22/09/25/711220925.db2.gz FITARMLYSPRRCL-UHFFFAOYSA-N 1 2 236.275 -0.773 20 0 BBADLO CCN(C)C(=O)C[N@H+]1CCC2(C1)OCCO2 ZINC000396478184 711222988 /nfs/dbraw/zinc/22/29/88/711222988.db2.gz UHOFZZMJAWUMEQ-UHFFFAOYSA-N 1 2 228.292 -0.087 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1CCC2(C1)OCCO2 ZINC000396478184 711222986 /nfs/dbraw/zinc/22/29/86/711222986.db2.gz UHOFZZMJAWUMEQ-UHFFFAOYSA-N 1 2 228.292 -0.087 20 0 BBADLO Nc1cc[nH+]cc1C(=O)N1CCc2[nH]nnc2C1 ZINC000396827604 410903349 /nfs/dbraw/zinc/90/33/49/410903349.db2.gz DJKQGKXYYKCRLD-UHFFFAOYSA-N 1 2 244.258 -0.189 20 0 BBADLO C[C@@H]([NH2+]C1CC1)C(=O)N1CCc2[nH]nnc2C1 ZINC000396844868 357485534 /nfs/dbraw/zinc/48/55/34/357485534.db2.gz BOJSFWYIZGBBGX-SSDOTTSWSA-N 1 2 235.291 -0.170 20 0 BBADLO C[C@H]([NH2+]C1CC1)C(=O)N1CCc2[nH]nnc2C1 ZINC000396844870 357485388 /nfs/dbraw/zinc/48/53/88/357485388.db2.gz BOJSFWYIZGBBGX-ZETCQYMHSA-N 1 2 235.291 -0.170 20 0 BBADLO CNc1cc(N2CC[C@H](O)[C@@H](CO)C2)[nH+]cn1 ZINC000396856803 711372126 /nfs/dbraw/zinc/37/21/26/711372126.db2.gz QVRBUDURLAQTNF-BDAKNGLRSA-N 1 2 238.291 -0.302 20 0 BBADLO CNc1cc(N2CC[C@H](O)[C@@H](CO)C2)nc[nH+]1 ZINC000396856803 711372123 /nfs/dbraw/zinc/37/21/23/711372123.db2.gz QVRBUDURLAQTNF-BDAKNGLRSA-N 1 2 238.291 -0.302 20 0 BBADLO CNc1cc(N2CC[C@@H](O)[C@H](CO)C2)[nH+]cn1 ZINC000396856805 711371879 /nfs/dbraw/zinc/37/18/79/711371879.db2.gz QVRBUDURLAQTNF-DTWKUNHWSA-N 1 2 238.291 -0.302 20 0 BBADLO CNc1cc(N2CC[C@@H](O)[C@H](CO)C2)nc[nH+]1 ZINC000396856805 711371877 /nfs/dbraw/zinc/37/18/77/711371877.db2.gz QVRBUDURLAQTNF-DTWKUNHWSA-N 1 2 238.291 -0.302 20 0 BBADLO CNc1cc(N2CC[C@H](O)[C@H](CO)C2)[nH+]cn1 ZINC000396856807 711371692 /nfs/dbraw/zinc/37/16/92/711371692.db2.gz QVRBUDURLAQTNF-IUCAKERBSA-N 1 2 238.291 -0.302 20 0 BBADLO CNc1cc(N2CC[C@H](O)[C@H](CO)C2)nc[nH+]1 ZINC000396856807 711371689 /nfs/dbraw/zinc/37/16/89/711371689.db2.gz QVRBUDURLAQTNF-IUCAKERBSA-N 1 2 238.291 -0.302 20 0 BBADLO CNc1cc(N2CC[C@@H](O)[C@@H](CO)C2)[nH+]cn1 ZINC000396856809 711371538 /nfs/dbraw/zinc/37/15/38/711371538.db2.gz QVRBUDURLAQTNF-RKDXNWHRSA-N 1 2 238.291 -0.302 20 0 BBADLO CNc1cc(N2CC[C@@H](O)[C@@H](CO)C2)nc[nH+]1 ZINC000396856809 711371533 /nfs/dbraw/zinc/37/15/33/711371533.db2.gz QVRBUDURLAQTNF-RKDXNWHRSA-N 1 2 238.291 -0.302 20 0 BBADLO N#Cc1cnnc(NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000396897617 412279994 /nfs/dbraw/zinc/27/99/94/412279994.db2.gz ADJVRPCYCPDYLS-LLVKDONJSA-N 1 2 244.302 -0.240 20 0 BBADLO N#Cc1cnnc(NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000396897619 412279521 /nfs/dbraw/zinc/27/95/21/412279521.db2.gz ADJVRPCYCPDYLS-NSHDSACASA-N 1 2 244.302 -0.240 20 0 BBADLO C[N@H+]1CCO[C@@H](CNc2cc(C#N)cnn2)C1 ZINC000396903901 412256814 /nfs/dbraw/zinc/25/68/14/412256814.db2.gz IFAVUYQENOCFIQ-JTQLQIEISA-N 1 2 233.275 0.091 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNc2cc(C#N)cnn2)C1 ZINC000396903901 412256811 /nfs/dbraw/zinc/25/68/11/412256811.db2.gz IFAVUYQENOCFIQ-JTQLQIEISA-N 1 2 233.275 0.091 20 0 BBADLO C[N@H+]1CCO[C@H](CNc2cc(C#N)cnn2)C1 ZINC000396903903 412255631 /nfs/dbraw/zinc/25/56/31/412255631.db2.gz IFAVUYQENOCFIQ-SNVBAGLBSA-N 1 2 233.275 0.091 20 0 BBADLO C[N@@H+]1CCO[C@H](CNc2cc(C#N)cnn2)C1 ZINC000396903903 412255628 /nfs/dbraw/zinc/25/56/28/412255628.db2.gz IFAVUYQENOCFIQ-SNVBAGLBSA-N 1 2 233.275 0.091 20 0 BBADLO CN1CC[N@@H+](C)[C@H](CNc2ccc(C#N)nn2)C1 ZINC000396912100 412252257 /nfs/dbraw/zinc/25/22/57/412252257.db2.gz IOHMLBPOWHVMFX-LLVKDONJSA-N 1 2 246.318 0.006 20 0 BBADLO CN1CC[N@H+](C)[C@H](CNc2ccc(C#N)nn2)C1 ZINC000396912100 412252252 /nfs/dbraw/zinc/25/22/52/412252252.db2.gz IOHMLBPOWHVMFX-LLVKDONJSA-N 1 2 246.318 0.006 20 0 BBADLO CN1CC[N@@H+](C)[C@@H](CNc2ccc(C#N)nn2)C1 ZINC000396912101 412253188 /nfs/dbraw/zinc/25/31/88/412253188.db2.gz IOHMLBPOWHVMFX-NSHDSACASA-N 1 2 246.318 0.006 20 0 BBADLO CN1CC[N@H+](C)[C@@H](CNc2ccc(C#N)nn2)C1 ZINC000396912101 412253186 /nfs/dbraw/zinc/25/31/86/412253186.db2.gz IOHMLBPOWHVMFX-NSHDSACASA-N 1 2 246.318 0.006 20 0 BBADLO N#Cc1cnnc(NCC[NH+]2CCOCC2)c1 ZINC000396917306 412275141 /nfs/dbraw/zinc/27/51/41/412275141.db2.gz VIPUBWQTQHSGQX-UHFFFAOYSA-N 1 2 233.275 0.092 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)Nc1cc(C#N)cnn1 ZINC000396992946 411817529 /nfs/dbraw/zinc/81/75/29/411817529.db2.gz GLMISZWXNFKJCQ-JTQLQIEISA-N 1 2 247.302 0.481 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)Nc1cc(C#N)cnn1 ZINC000396992947 411306414 /nfs/dbraw/zinc/30/64/14/411306414.db2.gz GLMISZWXNFKJCQ-SNVBAGLBSA-N 1 2 247.302 0.481 20 0 BBADLO CN1CC[N@@H+](C)[C@H](CNc2cc(C#N)cnn2)C1 ZINC000397011910 411307100 /nfs/dbraw/zinc/30/71/00/411307100.db2.gz OWWLYWJDLQSUDY-LLVKDONJSA-N 1 2 246.318 0.006 20 0 BBADLO CN1CC[N@H+](C)[C@H](CNc2cc(C#N)cnn2)C1 ZINC000397011910 411307099 /nfs/dbraw/zinc/30/70/99/411307099.db2.gz OWWLYWJDLQSUDY-LLVKDONJSA-N 1 2 246.318 0.006 20 0 BBADLO CN1CC[N@@H+](C)[C@@H](CNc2cc(C#N)cnn2)C1 ZINC000397011911 411307310 /nfs/dbraw/zinc/30/73/10/411307310.db2.gz OWWLYWJDLQSUDY-NSHDSACASA-N 1 2 246.318 0.006 20 0 BBADLO CN1CC[N@H+](C)[C@@H](CNc2cc(C#N)cnn2)C1 ZINC000397011911 411307309 /nfs/dbraw/zinc/30/73/09/411307309.db2.gz OWWLYWJDLQSUDY-NSHDSACASA-N 1 2 246.318 0.006 20 0 BBADLO Cc1nc(N)nc(NC[C@]2(C)CCOC2)[nH+]1 ZINC000397143196 411943789 /nfs/dbraw/zinc/94/37/89/411943789.db2.gz DWIOYHAIWYCXSD-JTQLQIEISA-N 1 2 223.280 0.023 20 0 BBADLO Cc1nc(NC[C@]2(C)CCOC2)nc(N)[nH+]1 ZINC000397143196 411943787 /nfs/dbraw/zinc/94/37/87/411943787.db2.gz DWIOYHAIWYCXSD-JTQLQIEISA-N 1 2 223.280 0.023 20 0 BBADLO Cc1nc(N)nc(NC[C@@]2(C)CCOC2)[nH+]1 ZINC000397143199 411274592 /nfs/dbraw/zinc/27/45/92/411274592.db2.gz DWIOYHAIWYCXSD-SNVBAGLBSA-N 1 2 223.280 0.023 20 0 BBADLO Cc1nc(NC[C@@]2(C)CCOC2)nc(N)[nH+]1 ZINC000397143199 411274590 /nfs/dbraw/zinc/27/45/90/411274590.db2.gz DWIOYHAIWYCXSD-SNVBAGLBSA-N 1 2 223.280 0.023 20 0 BBADLO CNC(=O)NCCNc1[nH+]cnc2c1cnn2C ZINC000397399231 350838131 /nfs/dbraw/zinc/83/81/31/350838131.db2.gz CBQKHWIMMRLQQC-UHFFFAOYSA-N 1 2 249.278 -0.296 20 0 BBADLO CNC(=O)NCCNc1cc[nH+]c(C)n1 ZINC000397454928 488119739 /nfs/dbraw/zinc/11/97/39/488119739.db2.gz IAVVWPSJGYUZTB-UHFFFAOYSA-N 1 2 209.253 -0.452 20 0 BBADLO CCc1cc(NCCNC(=O)NC)nc[nH+]1 ZINC000397459182 488119708 /nfs/dbraw/zinc/11/97/08/488119708.db2.gz PSOYYMKNUAJPGY-UHFFFAOYSA-N 1 2 223.280 -0.198 20 0 BBADLO CNC(=O)NCCNc1cc(C)[nH+]cn1 ZINC000397462906 488118875 /nfs/dbraw/zinc/11/88/75/488118875.db2.gz VFAGAYCRZXYYMF-UHFFFAOYSA-N 1 2 209.253 -0.452 20 0 BBADLO CON(C)C(=O)C[NH2+]Cc1cn(C)cn1 ZINC000397522846 711385188 /nfs/dbraw/zinc/38/51/88/711385188.db2.gz FPVRCABODBVWDC-UHFFFAOYSA-N 1 2 212.253 -0.471 20 0 BBADLO CON(C)C(=O)C[NH2+]Cc1ccn(C)n1 ZINC000397525508 711385805 /nfs/dbraw/zinc/38/58/05/711385805.db2.gz IXEVBEBALRBVQN-UHFFFAOYSA-N 1 2 212.253 -0.471 20 0 BBADLO CON(C)C(=O)C[NH2+]Cc1nccn1C ZINC000397538395 711386474 /nfs/dbraw/zinc/38/64/74/711386474.db2.gz RTIRHHIUPRMYOM-UHFFFAOYSA-N 1 2 212.253 -0.471 20 0 BBADLO Cc1nc(N)nc(NCC2=CCOCC2)[nH+]1 ZINC000397757818 411944357 /nfs/dbraw/zinc/94/43/57/411944357.db2.gz SWDPBGYUBKCUGA-UHFFFAOYSA-N 1 2 221.264 -0.057 20 0 BBADLO Cc1nc(NCC2=CCOCC2)nc(N)[nH+]1 ZINC000397757818 411944353 /nfs/dbraw/zinc/94/43/53/411944353.db2.gz SWDPBGYUBKCUGA-UHFFFAOYSA-N 1 2 221.264 -0.057 20 0 BBADLO Cc1nc(N)nc(NCC[C@@H](C)CCO)[nH+]1 ZINC000397789656 411944870 /nfs/dbraw/zinc/94/48/70/411944870.db2.gz AJXTZXPKHSBHJJ-SSDOTTSWSA-N 1 2 225.296 0.005 20 0 BBADLO Cc1nc(NCC[C@@H](C)CCO)nc(N)[nH+]1 ZINC000397789656 411944865 /nfs/dbraw/zinc/94/48/65/411944865.db2.gz AJXTZXPKHSBHJJ-SSDOTTSWSA-N 1 2 225.296 0.005 20 0 BBADLO Cc1nc(N)nc(NCC[C@H](C)CCO)[nH+]1 ZINC000397789658 411942729 /nfs/dbraw/zinc/94/27/29/411942729.db2.gz AJXTZXPKHSBHJJ-ZETCQYMHSA-N 1 2 225.296 0.005 20 0 BBADLO Cc1nc(NCC[C@H](C)CCO)nc(N)[nH+]1 ZINC000397789658 411942726 /nfs/dbraw/zinc/94/27/26/411942726.db2.gz AJXTZXPKHSBHJJ-ZETCQYMHSA-N 1 2 225.296 0.005 20 0 BBADLO Cc1nc(N)nc(NCCC2(O)CCC2)[nH+]1 ZINC000397829418 411940279 /nfs/dbraw/zinc/94/02/79/411940279.db2.gz KBMBTAOWJZNZBH-UHFFFAOYSA-N 1 2 223.280 -0.099 20 0 BBADLO Cc1nc(NCCC2(O)CCC2)nc(N)[nH+]1 ZINC000397829418 411940275 /nfs/dbraw/zinc/94/02/75/411940275.db2.gz KBMBTAOWJZNZBH-UHFFFAOYSA-N 1 2 223.280 -0.099 20 0 BBADLO C[NH+](C)C1(CNS(=O)(=O)c2ncc[nH]2)CC1 ZINC000397883075 362932734 /nfs/dbraw/zinc/93/27/34/362932734.db2.gz ZWQHOZXCBPNPSQ-UHFFFAOYSA-N 1 2 244.320 -0.218 20 0 BBADLO Cc1nc(N)nc(NC[C@H]2CC[C@@H](C)O2)[nH+]1 ZINC000397920027 411944593 /nfs/dbraw/zinc/94/45/93/411944593.db2.gz MVCTWFVYEULSLR-HTRCEHHLSA-N 1 2 223.280 0.164 20 0 BBADLO Cc1nc(NC[C@H]2CC[C@@H](C)O2)nc(N)[nH+]1 ZINC000397920027 411944586 /nfs/dbraw/zinc/94/45/86/411944586.db2.gz MVCTWFVYEULSLR-HTRCEHHLSA-N 1 2 223.280 0.164 20 0 BBADLO Cc1nc(N)nc(NC[C@H]2CC[C@H](C)O2)[nH+]1 ZINC000397920028 411945290 /nfs/dbraw/zinc/94/52/90/411945290.db2.gz MVCTWFVYEULSLR-POYBYMJQSA-N 1 2 223.280 0.164 20 0 BBADLO Cc1nc(NC[C@H]2CC[C@H](C)O2)nc(N)[nH+]1 ZINC000397920028 411945284 /nfs/dbraw/zinc/94/52/84/411945284.db2.gz MVCTWFVYEULSLR-POYBYMJQSA-N 1 2 223.280 0.164 20 0 BBADLO Cc1nc(N)nc(NC[C@@H]2CC[C@@H](C)O2)[nH+]1 ZINC000397920029 411274640 /nfs/dbraw/zinc/27/46/40/411274640.db2.gz MVCTWFVYEULSLR-SVRRBLITSA-N 1 2 223.280 0.164 20 0 BBADLO Cc1nc(NC[C@@H]2CC[C@@H](C)O2)nc(N)[nH+]1 ZINC000397920029 411274639 /nfs/dbraw/zinc/27/46/39/411274639.db2.gz MVCTWFVYEULSLR-SVRRBLITSA-N 1 2 223.280 0.164 20 0 BBADLO Cc1nc(N)nc(NC[C@@H]2CC[C@H](C)O2)[nH+]1 ZINC000397920030 411274574 /nfs/dbraw/zinc/27/45/74/411274574.db2.gz MVCTWFVYEULSLR-XPUUQOCRSA-N 1 2 223.280 0.164 20 0 BBADLO Cc1nc(NC[C@@H]2CC[C@H](C)O2)nc(N)[nH+]1 ZINC000397920030 411274572 /nfs/dbraw/zinc/27/45/72/411274572.db2.gz MVCTWFVYEULSLR-XPUUQOCRSA-N 1 2 223.280 0.164 20 0 BBADLO CC(C)COC[C@H](O)C[NH2+]Cc1nnn(C)n1 ZINC000398088552 357839914 /nfs/dbraw/zinc/83/99/14/357839914.db2.gz NDPCELJLHFMYEO-SECBINFHSA-N 1 2 243.311 -0.667 20 0 BBADLO CC(C)COC[C@@H](O)C[NH2+]Cc1nnn(C)n1 ZINC000398088554 357839741 /nfs/dbraw/zinc/83/97/41/357839741.db2.gz NDPCELJLHFMYEO-VIFPVBQESA-N 1 2 243.311 -0.667 20 0 BBADLO Cn1nnc(C[NH2+]C[C@H](O)CC(F)(F)F)n1 ZINC000398121088 357844293 /nfs/dbraw/zinc/84/42/93/357844293.db2.gz AUVQEKXANVPPGI-RXMQYKEDSA-N 1 2 239.201 -0.387 20 0 BBADLO Cn1nnc(C[NH2+]C[C@@H](O)CC(F)(F)F)n1 ZINC000398121090 357844590 /nfs/dbraw/zinc/84/45/90/357844590.db2.gz AUVQEKXANVPPGI-YFKPBYRVSA-N 1 2 239.201 -0.387 20 0 BBADLO Cc1cc(NC[C@@H]2CNC(=O)C2)nc[nH+]1 ZINC000398307959 488215624 /nfs/dbraw/zinc/21/56/24/488215624.db2.gz JOTQAQWVZAEUIS-MRVPVSSYSA-N 1 2 206.249 -0.245 20 0 BBADLO Cc1cc(NC[C@H]2CNC(=O)C2)nc[nH+]1 ZINC000398307960 488215538 /nfs/dbraw/zinc/21/55/38/488215538.db2.gz JOTQAQWVZAEUIS-QMMMGPOBSA-N 1 2 206.249 -0.245 20 0 BBADLO CNC(=O)CCCNc1[nH+]cnc(N)c1OC ZINC000398344772 412262526 /nfs/dbraw/zinc/26/25/26/412262526.db2.gz FXPHEYGEYCSNAJ-UHFFFAOYSA-N 1 2 239.279 0.006 20 0 BBADLO CNC(=O)CCCNc1nc[nH+]c(N)c1OC ZINC000398344772 412262521 /nfs/dbraw/zinc/26/25/21/412262521.db2.gz FXPHEYGEYCSNAJ-UHFFFAOYSA-N 1 2 239.279 0.006 20 0 BBADLO COc1c(N)nc[nH+]c1NC[C@@H]1CNC(=O)C1 ZINC000398365924 411683623 /nfs/dbraw/zinc/68/36/23/411683623.db2.gz ZXJPNOFSLVVXJC-LURJTMIESA-N 1 2 237.263 -0.385 20 0 BBADLO COc1c(N)[nH+]cnc1NC[C@@H]1CNC(=O)C1 ZINC000398365924 411683618 /nfs/dbraw/zinc/68/36/18/411683618.db2.gz ZXJPNOFSLVVXJC-LURJTMIESA-N 1 2 237.263 -0.385 20 0 BBADLO COc1c(N)nc[nH+]c1NC[C@H]1CNC(=O)C1 ZINC000398365927 411682840 /nfs/dbraw/zinc/68/28/40/411682840.db2.gz ZXJPNOFSLVVXJC-ZCFIWIBFSA-N 1 2 237.263 -0.385 20 0 BBADLO COc1c(N)[nH+]cnc1NC[C@H]1CNC(=O)C1 ZINC000398365927 411682836 /nfs/dbraw/zinc/68/28/36/411682836.db2.gz ZXJPNOFSLVVXJC-ZCFIWIBFSA-N 1 2 237.263 -0.385 20 0 BBADLO C[N@H+]1CC[C@@H](C(=O)NCc2cnn[nH]2)C1 ZINC000398366966 583129053 /nfs/dbraw/zinc/12/90/53/583129053.db2.gz NZQSLUOJPYWOOB-SSDOTTSWSA-N 1 2 209.253 -0.627 20 0 BBADLO C[N@@H+]1CC[C@@H](C(=O)NCc2cnn[nH]2)C1 ZINC000398366966 583129050 /nfs/dbraw/zinc/12/90/50/583129050.db2.gz NZQSLUOJPYWOOB-SSDOTTSWSA-N 1 2 209.253 -0.627 20 0 BBADLO C[N@H+]1CC[C@H](C(=O)NCc2cnn[nH]2)C1 ZINC000398366967 583129662 /nfs/dbraw/zinc/12/96/62/583129662.db2.gz NZQSLUOJPYWOOB-ZETCQYMHSA-N 1 2 209.253 -0.627 20 0 BBADLO C[N@@H+]1CC[C@H](C(=O)NCc2cnn[nH]2)C1 ZINC000398366967 583129661 /nfs/dbraw/zinc/12/96/61/583129661.db2.gz NZQSLUOJPYWOOB-ZETCQYMHSA-N 1 2 209.253 -0.627 20 0 BBADLO COCC[N@H+]1CC[C@@H](NCc2cn[nH]n2)C1 ZINC000398426115 351150528 /nfs/dbraw/zinc/15/05/28/351150528.db2.gz XOAZWZKSOWLLPC-SECBINFHSA-N 1 2 225.296 -0.385 20 0 BBADLO COCC[N@@H+]1CC[C@@H](NCc2cn[nH]n2)C1 ZINC000398426115 351150524 /nfs/dbraw/zinc/15/05/24/351150524.db2.gz XOAZWZKSOWLLPC-SECBINFHSA-N 1 2 225.296 -0.385 20 0 BBADLO COCCN1CC[C@@H]([NH2+]Cc2cnn[nH]2)C1 ZINC000398426115 351150521 /nfs/dbraw/zinc/15/05/21/351150521.db2.gz XOAZWZKSOWLLPC-SECBINFHSA-N 1 2 225.296 -0.385 20 0 BBADLO COCC[N@H+]1CC[C@H](NCc2cn[nH]n2)C1 ZINC000398426116 351150667 /nfs/dbraw/zinc/15/06/67/351150667.db2.gz XOAZWZKSOWLLPC-VIFPVBQESA-N 1 2 225.296 -0.385 20 0 BBADLO COCC[N@@H+]1CC[C@H](NCc2cn[nH]n2)C1 ZINC000398426116 351150665 /nfs/dbraw/zinc/15/06/65/351150665.db2.gz XOAZWZKSOWLLPC-VIFPVBQESA-N 1 2 225.296 -0.385 20 0 BBADLO COCCN1CC[C@H]([NH2+]Cc2cnn[nH]2)C1 ZINC000398426116 351150663 /nfs/dbraw/zinc/15/06/63/351150663.db2.gz XOAZWZKSOWLLPC-VIFPVBQESA-N 1 2 225.296 -0.385 20 0 BBADLO CC[C@@H](O)CCCNc1nc(N)nc(C)[nH+]1 ZINC000398496120 411881770 /nfs/dbraw/zinc/88/17/70/411881770.db2.gz HYQDNHHGJRLNSM-MRVPVSSYSA-N 1 2 225.296 0.147 20 0 BBADLO CC[C@@H](O)CCCNc1nc(C)[nH+]c(N)n1 ZINC000398496120 411881766 /nfs/dbraw/zinc/88/17/66/411881766.db2.gz HYQDNHHGJRLNSM-MRVPVSSYSA-N 1 2 225.296 0.147 20 0 BBADLO CC[C@H](O)CCCNc1nc(N)nc(C)[nH+]1 ZINC000398496122 411885381 /nfs/dbraw/zinc/88/53/81/411885381.db2.gz HYQDNHHGJRLNSM-QMMMGPOBSA-N 1 2 225.296 0.147 20 0 BBADLO CC[C@H](O)CCCNc1nc(C)[nH+]c(N)n1 ZINC000398496122 411885377 /nfs/dbraw/zinc/88/53/77/411885377.db2.gz HYQDNHHGJRLNSM-QMMMGPOBSA-N 1 2 225.296 0.147 20 0 BBADLO Cc1nc(N)nc(N[C@H](C)CCCCO)[nH+]1 ZINC000398559087 411946285 /nfs/dbraw/zinc/94/62/85/411946285.db2.gz CNNZXECQWXYNRI-SSDOTTSWSA-N 1 2 225.296 0.147 20 0 BBADLO Cc1nc(N[C@H](C)CCCCO)nc(N)[nH+]1 ZINC000398559087 411946283 /nfs/dbraw/zinc/94/62/83/411946283.db2.gz CNNZXECQWXYNRI-SSDOTTSWSA-N 1 2 225.296 0.147 20 0 BBADLO Cc1nc(N)nc(N[C@@H](C)CCCCO)[nH+]1 ZINC000398559089 411944111 /nfs/dbraw/zinc/94/41/11/411944111.db2.gz CNNZXECQWXYNRI-ZETCQYMHSA-N 1 2 225.296 0.147 20 0 BBADLO Cc1nc(N[C@@H](C)CCCCO)nc(N)[nH+]1 ZINC000398559089 411944107 /nfs/dbraw/zinc/94/41/07/411944107.db2.gz CNNZXECQWXYNRI-ZETCQYMHSA-N 1 2 225.296 0.147 20 0 BBADLO Cc1nc(N)nc(NC[C@@H](C)C[C@H](C)O)[nH+]1 ZINC000398609682 411273407 /nfs/dbraw/zinc/27/34/07/411273407.db2.gz YGNOKCKNKZOAGJ-BQBZGAKWSA-N 1 2 225.296 0.003 20 0 BBADLO Cc1nc(NC[C@@H](C)C[C@H](C)O)nc(N)[nH+]1 ZINC000398609682 411273404 /nfs/dbraw/zinc/27/34/04/411273404.db2.gz YGNOKCKNKZOAGJ-BQBZGAKWSA-N 1 2 225.296 0.003 20 0 BBADLO Cc1nc(N)nc(NC[C@@H](C)C[C@@H](C)O)[nH+]1 ZINC000398609683 411272765 /nfs/dbraw/zinc/27/27/65/411272765.db2.gz YGNOKCKNKZOAGJ-NKWVEPMBSA-N 1 2 225.296 0.003 20 0 BBADLO Cc1nc(NC[C@@H](C)C[C@@H](C)O)nc(N)[nH+]1 ZINC000398609683 411272761 /nfs/dbraw/zinc/27/27/61/411272761.db2.gz YGNOKCKNKZOAGJ-NKWVEPMBSA-N 1 2 225.296 0.003 20 0 BBADLO Cc1nc(N)nc(NC[C@H](C)C[C@@H](C)O)[nH+]1 ZINC000398609684 411944164 /nfs/dbraw/zinc/94/41/64/411944164.db2.gz YGNOKCKNKZOAGJ-RNFRBKRXSA-N 1 2 225.296 0.003 20 0 BBADLO Cc1nc(NC[C@H](C)C[C@@H](C)O)nc(N)[nH+]1 ZINC000398609684 411944160 /nfs/dbraw/zinc/94/41/60/411944160.db2.gz YGNOKCKNKZOAGJ-RNFRBKRXSA-N 1 2 225.296 0.003 20 0 BBADLO Cc1nc(N)nc(NC[C@H](C)C[C@H](C)O)[nH+]1 ZINC000398609685 411944338 /nfs/dbraw/zinc/94/43/38/411944338.db2.gz YGNOKCKNKZOAGJ-RQJHMYQMSA-N 1 2 225.296 0.003 20 0 BBADLO Cc1nc(NC[C@H](C)C[C@H](C)O)nc(N)[nH+]1 ZINC000398609685 411944334 /nfs/dbraw/zinc/94/43/34/411944334.db2.gz YGNOKCKNKZOAGJ-RQJHMYQMSA-N 1 2 225.296 0.003 20 0 BBADLO COC[C@@H](O)C[NH+]1CC(OC(F)F)C1 ZINC000398910170 518083251 /nfs/dbraw/zinc/08/32/51/518083251.db2.gz HPTGUTBBDJBYCU-LURJTMIESA-N 1 2 211.208 -0.083 20 0 BBADLO COC[C@H](O)C[NH+]1CC(OC(F)F)C1 ZINC000398910174 262771750 /nfs/dbraw/zinc/77/17/50/262771750.db2.gz HPTGUTBBDJBYCU-ZCFIWIBFSA-N 1 2 211.208 -0.083 20 0 BBADLO [NH3+][C@H](C(=O)N1CCc2[nH]nnc2C1)C1CCC1 ZINC000399148947 357896820 /nfs/dbraw/zinc/89/68/20/357896820.db2.gz YEABTRVVBHBJCI-JTQLQIEISA-N 1 2 235.291 -0.183 20 0 BBADLO [NH3+][C@@H](C(=O)N1CCc2[nH]nnc2C1)C1CCC1 ZINC000399148949 357896898 /nfs/dbraw/zinc/89/68/98/357896898.db2.gz YEABTRVVBHBJCI-SNVBAGLBSA-N 1 2 235.291 -0.183 20 0 BBADLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1nc(N)nc(N)n1 ZINC000399513030 411047006 /nfs/dbraw/zinc/04/70/06/411047006.db2.gz ZZPMGFMQNKPXSV-RNFRBKRXSA-N 1 2 238.295 -0.958 20 0 BBADLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000399513030 411047005 /nfs/dbraw/zinc/04/70/05/411047005.db2.gz ZZPMGFMQNKPXSV-RNFRBKRXSA-N 1 2 238.295 -0.958 20 0 BBADLO CC(C)[C@@H](C(=O)NCc1n[nH]c(=O)[nH]1)[C@@H](C)[NH3+] ZINC000399578826 490097384 /nfs/dbraw/zinc/09/73/84/490097384.db2.gz MUROQDRVYDIYOK-HTRCEHHLSA-N 1 2 241.295 -0.254 20 0 BBADLO CC(C)[C@@H](C(=O)NCc1n[nH]c(=O)[nH]1)[C@H](C)[NH3+] ZINC000399578828 490097573 /nfs/dbraw/zinc/09/75/73/490097573.db2.gz MUROQDRVYDIYOK-POYBYMJQSA-N 1 2 241.295 -0.254 20 0 BBADLO CC(C)[C@H](C(=O)NCc1n[nH]c(=O)[nH]1)[C@@H](C)[NH3+] ZINC000399578830 490097519 /nfs/dbraw/zinc/09/75/19/490097519.db2.gz MUROQDRVYDIYOK-SVRRBLITSA-N 1 2 241.295 -0.254 20 0 BBADLO CC(C)[C@H](C(=O)NCc1n[nH]c(=O)[nH]1)[C@H](C)[NH3+] ZINC000399578831 490097409 /nfs/dbraw/zinc/09/74/09/490097409.db2.gz MUROQDRVYDIYOK-XPUUQOCRSA-N 1 2 241.295 -0.254 20 0 BBADLO Cc1cc(NCCNC(N)=O)c(C#N)c[nH+]1 ZINC000399607084 356984942 /nfs/dbraw/zinc/98/49/42/356984942.db2.gz VINJUNUMXDYFLI-UHFFFAOYSA-N 1 2 219.248 -0.236 20 0 BBADLO COC[C@@H](C)S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000399734126 368529978 /nfs/dbraw/zinc/52/99/78/368529978.db2.gz VADGGOQZQNIUPD-SSDOTTSWSA-N 1 2 233.293 -0.136 20 0 BBADLO COC[C@H](C)S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000399734127 368529583 /nfs/dbraw/zinc/52/95/83/368529583.db2.gz VADGGOQZQNIUPD-ZETCQYMHSA-N 1 2 233.293 -0.136 20 0 BBADLO COC[C@@H](C)S(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000399737609 357033080 /nfs/dbraw/zinc/03/30/80/357033080.db2.gz WJUHEXKKJYQZEX-SSDOTTSWSA-N 1 2 233.293 -0.136 20 0 BBADLO COC[C@@H](C)S(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000399737609 357033076 /nfs/dbraw/zinc/03/30/76/357033076.db2.gz WJUHEXKKJYQZEX-SSDOTTSWSA-N 1 2 233.293 -0.136 20 0 BBADLO COC[C@H](C)S(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000399737610 357033194 /nfs/dbraw/zinc/03/31/94/357033194.db2.gz WJUHEXKKJYQZEX-ZETCQYMHSA-N 1 2 233.293 -0.136 20 0 BBADLO COC[C@H](C)S(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000399737610 357033191 /nfs/dbraw/zinc/03/31/91/357033191.db2.gz WJUHEXKKJYQZEX-ZETCQYMHSA-N 1 2 233.293 -0.136 20 0 BBADLO CCC(C)(C)NC(=O)C[N@H+]1CCOC[C@@H](O)C1 ZINC000399879995 387575426 /nfs/dbraw/zinc/57/54/26/387575426.db2.gz SQOQABZRYWIJLX-JTQLQIEISA-N 1 2 244.335 -0.016 20 0 BBADLO CCC(C)(C)NC(=O)C[N@@H+]1CCOC[C@@H](O)C1 ZINC000399879995 387575422 /nfs/dbraw/zinc/57/54/22/387575422.db2.gz SQOQABZRYWIJLX-JTQLQIEISA-N 1 2 244.335 -0.016 20 0 BBADLO CCC(C)(C)NC(=O)C[N@H+]1CCOC[C@H](O)C1 ZINC000399879998 387575228 /nfs/dbraw/zinc/57/52/28/387575228.db2.gz SQOQABZRYWIJLX-SNVBAGLBSA-N 1 2 244.335 -0.016 20 0 BBADLO CCC(C)(C)NC(=O)C[N@@H+]1CCOC[C@H](O)C1 ZINC000399879998 387575223 /nfs/dbraw/zinc/57/52/23/387575223.db2.gz SQOQABZRYWIJLX-SNVBAGLBSA-N 1 2 244.335 -0.016 20 0 BBADLO Cc1cc(N2CCOC[C@H](O)C2)nc[nH+]1 ZINC000399881290 487496919 /nfs/dbraw/zinc/49/69/19/487496919.db2.gz YNHCSYDOOBFZAU-SECBINFHSA-N 1 2 209.249 -0.017 20 0 BBADLO Cc1cc(N2CCOC[C@@H](O)C2)nc[nH+]1 ZINC000399881292 487497112 /nfs/dbraw/zinc/49/71/12/487497112.db2.gz YNHCSYDOOBFZAU-VIFPVBQESA-N 1 2 209.249 -0.017 20 0 BBADLO CCCCNC(=O)C[N@H+]1CCOC[C@@H](O)C1 ZINC000399892738 387577913 /nfs/dbraw/zinc/57/79/13/387577913.db2.gz ICAHVIGXPLHUOY-JTQLQIEISA-N 1 2 230.308 -0.404 20 0 BBADLO CCCCNC(=O)C[N@@H+]1CCOC[C@@H](O)C1 ZINC000399892738 387577908 /nfs/dbraw/zinc/57/79/08/387577908.db2.gz ICAHVIGXPLHUOY-JTQLQIEISA-N 1 2 230.308 -0.404 20 0 BBADLO CCCCNC(=O)C[N@H+]1CCOC[C@H](O)C1 ZINC000399892739 387577426 /nfs/dbraw/zinc/57/74/26/387577426.db2.gz ICAHVIGXPLHUOY-SNVBAGLBSA-N 1 2 230.308 -0.404 20 0 BBADLO CCCCNC(=O)C[N@@H+]1CCOC[C@H](O)C1 ZINC000399892739 387577423 /nfs/dbraw/zinc/57/74/23/387577423.db2.gz ICAHVIGXPLHUOY-SNVBAGLBSA-N 1 2 230.308 -0.404 20 0 BBADLO COC(=O)[C@@H](C1CC1)[N@H+]1CCOC[C@H](O)C1 ZINC000399895050 387577659 /nfs/dbraw/zinc/57/76/59/387577659.db2.gz ZZPFNSPNLSIRGL-NXEZZACHSA-N 1 2 229.276 -0.369 20 0 BBADLO COC(=O)[C@@H](C1CC1)[N@@H+]1CCOC[C@H](O)C1 ZINC000399895050 387577658 /nfs/dbraw/zinc/57/76/58/387577658.db2.gz ZZPFNSPNLSIRGL-NXEZZACHSA-N 1 2 229.276 -0.369 20 0 BBADLO COC(=O)[C@H](C1CC1)[N@H+]1CCOC[C@@H](O)C1 ZINC000399895051 262847112 /nfs/dbraw/zinc/84/71/12/262847112.db2.gz ZZPFNSPNLSIRGL-UWVGGRQHSA-N 1 2 229.276 -0.369 20 0 BBADLO COC(=O)[C@H](C1CC1)[N@@H+]1CCOC[C@@H](O)C1 ZINC000399895051 262847111 /nfs/dbraw/zinc/84/71/11/262847111.db2.gz ZZPFNSPNLSIRGL-UWVGGRQHSA-N 1 2 229.276 -0.369 20 0 BBADLO COC(=O)[C@@H](C1CC1)[N@H+]1CCOC[C@@H](O)C1 ZINC000399895052 387576886 /nfs/dbraw/zinc/57/68/86/387576886.db2.gz ZZPFNSPNLSIRGL-VHSXEESVSA-N 1 2 229.276 -0.369 20 0 BBADLO COC(=O)[C@@H](C1CC1)[N@@H+]1CCOC[C@@H](O)C1 ZINC000399895052 387576884 /nfs/dbraw/zinc/57/68/84/387576884.db2.gz ZZPFNSPNLSIRGL-VHSXEESVSA-N 1 2 229.276 -0.369 20 0 BBADLO COC(=O)[C@H](C1CC1)[N@H+]1CCOC[C@H](O)C1 ZINC000399895053 387577188 /nfs/dbraw/zinc/57/71/88/387577188.db2.gz ZZPFNSPNLSIRGL-ZJUUUORDSA-N 1 2 229.276 -0.369 20 0 BBADLO COC(=O)[C@H](C1CC1)[N@@H+]1CCOC[C@H](O)C1 ZINC000399895053 387577185 /nfs/dbraw/zinc/57/71/85/387577185.db2.gz ZZPFNSPNLSIRGL-ZJUUUORDSA-N 1 2 229.276 -0.369 20 0 BBADLO O=C(Cn1cc[nH+]c1)N1CCOC[C@H](O)C1 ZINC000399902607 344736893 /nfs/dbraw/zinc/73/68/93/344736893.db2.gz NTNKBDDLUDZXEC-SECBINFHSA-N 1 2 225.248 -0.897 20 0 BBADLO O=C(Cn1cc[nH+]c1)N1CCOC[C@@H](O)C1 ZINC000399902611 344736507 /nfs/dbraw/zinc/73/65/07/344736507.db2.gz NTNKBDDLUDZXEC-VIFPVBQESA-N 1 2 225.248 -0.897 20 0 BBADLO CC[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1O ZINC000400448730 529398931 /nfs/dbraw/zinc/39/89/31/529398931.db2.gz MHVBPPBEXNTVSD-HTQZYQBOSA-N 1 2 211.269 -0.587 20 0 BBADLO CC[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1O ZINC000400448730 529398929 /nfs/dbraw/zinc/39/89/29/529398929.db2.gz MHVBPPBEXNTVSD-HTQZYQBOSA-N 1 2 211.269 -0.587 20 0 BBADLO CC[C@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1O ZINC000400448733 529299527 /nfs/dbraw/zinc/29/95/27/529299527.db2.gz MHVBPPBEXNTVSD-JGVFFNPUSA-N 1 2 211.269 -0.587 20 0 BBADLO CC[C@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1O ZINC000400448733 529299526 /nfs/dbraw/zinc/29/95/26/529299526.db2.gz MHVBPPBEXNTVSD-JGVFFNPUSA-N 1 2 211.269 -0.587 20 0 BBADLO CC[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@@H]1O ZINC000400448737 529399165 /nfs/dbraw/zinc/39/91/65/529399165.db2.gz MHVBPPBEXNTVSD-SFYZADRCSA-N 1 2 211.269 -0.587 20 0 BBADLO CC[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@@H]1O ZINC000400448737 529399163 /nfs/dbraw/zinc/39/91/63/529399163.db2.gz MHVBPPBEXNTVSD-SFYZADRCSA-N 1 2 211.269 -0.587 20 0 BBADLO CC[C@H]1C[N@@H+](Cc2nnn(C)n2)C[C@@H]1O ZINC000400448741 529299122 /nfs/dbraw/zinc/29/91/22/529299122.db2.gz MHVBPPBEXNTVSD-YUMQZZPRSA-N 1 2 211.269 -0.587 20 0 BBADLO CC[C@H]1C[N@H+](Cc2nnn(C)n2)C[C@@H]1O ZINC000400448741 529299121 /nfs/dbraw/zinc/29/91/21/529299121.db2.gz MHVBPPBEXNTVSD-YUMQZZPRSA-N 1 2 211.269 -0.587 20 0 BBADLO COc1cc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)sn1 ZINC000401015382 487998617 /nfs/dbraw/zinc/99/86/17/487998617.db2.gz DBQQXOWZEQRFQO-OCAPTIKFSA-N 1 2 230.289 -0.311 20 0 BBADLO COc1cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)sn1 ZINC000401015382 487998611 /nfs/dbraw/zinc/99/86/11/487998611.db2.gz DBQQXOWZEQRFQO-OCAPTIKFSA-N 1 2 230.289 -0.311 20 0 BBADLO COc1cc(C[NH+]2C[C@H](O)[C@@H](O)C2)sn1 ZINC000401015386 384598688 /nfs/dbraw/zinc/59/86/88/384598688.db2.gz DBQQXOWZEQRFQO-YUMQZZPRSA-N 1 2 230.289 -0.311 20 0 BBADLO COc1cc(C[NH+](CCO)CCO)sn1 ZINC000401044274 488004048 /nfs/dbraw/zinc/00/40/48/488004048.db2.gz SABMTNFMPQFJMR-UHFFFAOYSA-N 1 2 232.305 -0.062 20 0 BBADLO COC(=O)C[N@H+]1CCC[C@](CO)(OC)C1 ZINC000401632014 347433185 /nfs/dbraw/zinc/43/31/85/347433185.db2.gz AHWMSKXCKMNMDS-JTQLQIEISA-N 1 2 217.265 -0.367 20 0 BBADLO COC(=O)C[N@@H+]1CCC[C@](CO)(OC)C1 ZINC000401632014 347433184 /nfs/dbraw/zinc/43/31/84/347433184.db2.gz AHWMSKXCKMNMDS-JTQLQIEISA-N 1 2 217.265 -0.367 20 0 BBADLO COC(=O)C[N@H+]1CCC[C@@](CO)(OC)C1 ZINC000401632015 347433438 /nfs/dbraw/zinc/43/34/38/347433438.db2.gz AHWMSKXCKMNMDS-SNVBAGLBSA-N 1 2 217.265 -0.367 20 0 BBADLO COC(=O)C[N@@H+]1CCC[C@@](CO)(OC)C1 ZINC000401632015 347433434 /nfs/dbraw/zinc/43/34/34/347433434.db2.gz AHWMSKXCKMNMDS-SNVBAGLBSA-N 1 2 217.265 -0.367 20 0 BBADLO Cn1c[nH+]cc1CCNC(=O)c1nnc[nH]1 ZINC000401729226 323118825 /nfs/dbraw/zinc/11/88/25/323118825.db2.gz NMOFGEMUGKMTSC-UHFFFAOYSA-N 1 2 220.236 -0.489 20 0 BBADLO CN(C)C(=O)N1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000401735282 369369360 /nfs/dbraw/zinc/36/93/60/369369360.db2.gz RCOYBZYLXIQHJS-NXEZZACHSA-N 1 2 243.307 -0.955 20 0 BBADLO CN(C)C(=O)N1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000401735290 369370146 /nfs/dbraw/zinc/37/01/46/369370146.db2.gz RCOYBZYLXIQHJS-VHSXEESVSA-N 1 2 243.307 -0.955 20 0 BBADLO Cn1c[nH+]cc1CCNC(=O)C(C)(C)O ZINC000401761584 347786581 /nfs/dbraw/zinc/78/65/81/347786581.db2.gz VLASGVQEOQDPND-UHFFFAOYSA-N 1 2 211.265 -0.150 20 0 BBADLO CO[C@]1(CO)CCC[N@@H+](Cc2ncnn2C)C1 ZINC000401791535 487471508 /nfs/dbraw/zinc/47/15/08/487471508.db2.gz NXVZOWRCJVIIKY-LLVKDONJSA-N 1 2 240.307 -0.212 20 0 BBADLO CO[C@]1(CO)CCC[N@H+](Cc2ncnn2C)C1 ZINC000401791535 487471504 /nfs/dbraw/zinc/47/15/04/487471504.db2.gz NXVZOWRCJVIIKY-LLVKDONJSA-N 1 2 240.307 -0.212 20 0 BBADLO CO[C@@]1(CO)CCC[N@@H+](Cc2ncnn2C)C1 ZINC000401791538 488068133 /nfs/dbraw/zinc/06/81/33/488068133.db2.gz NXVZOWRCJVIIKY-NSHDSACASA-N 1 2 240.307 -0.212 20 0 BBADLO CO[C@@]1(CO)CCC[N@H+](Cc2ncnn2C)C1 ZINC000401791538 488068129 /nfs/dbraw/zinc/06/81/29/488068129.db2.gz NXVZOWRCJVIIKY-NSHDSACASA-N 1 2 240.307 -0.212 20 0 BBADLO COC(=O)C[NH+]1CCC(CO)(OC)CC1 ZINC000401810333 533501965 /nfs/dbraw/zinc/50/19/65/533501965.db2.gz SXLPSFXCGDNCCW-UHFFFAOYSA-N 1 2 217.265 -0.367 20 0 BBADLO CO[C@]1(CO)CCC[N@@H+](Cc2cn(C)nn2)C1 ZINC000401888038 488071859 /nfs/dbraw/zinc/07/18/59/488071859.db2.gz QPHOMIATXHEFKA-LLVKDONJSA-N 1 2 240.307 -0.212 20 0 BBADLO CO[C@]1(CO)CCC[N@H+](Cc2cn(C)nn2)C1 ZINC000401888038 488071854 /nfs/dbraw/zinc/07/18/54/488071854.db2.gz QPHOMIATXHEFKA-LLVKDONJSA-N 1 2 240.307 -0.212 20 0 BBADLO CO[C@@]1(CO)CCC[N@@H+](Cc2cn(C)nn2)C1 ZINC000401888039 488071630 /nfs/dbraw/zinc/07/16/30/488071630.db2.gz QPHOMIATXHEFKA-NSHDSACASA-N 1 2 240.307 -0.212 20 0 BBADLO CO[C@@]1(CO)CCC[N@H+](Cc2cn(C)nn2)C1 ZINC000401888039 488071627 /nfs/dbraw/zinc/07/16/27/488071627.db2.gz QPHOMIATXHEFKA-NSHDSACASA-N 1 2 240.307 -0.212 20 0 BBADLO Cc1nocc1C(=O)N1CC[NH+](CCO)CC1 ZINC000402632501 385061569 /nfs/dbraw/zinc/06/15/69/385061569.db2.gz FRCXQMRFQDQAPH-UHFFFAOYSA-N 1 2 239.275 -0.267 20 0 BBADLO OC[C@@H]1COCC[N@H+]1CCc1cnccn1 ZINC000402934698 384275328 /nfs/dbraw/zinc/27/53/28/384275328.db2.gz URXHXXMJCAVTJG-LLVKDONJSA-N 1 2 223.276 -0.288 20 0 BBADLO OC[C@@H]1COCC[N@@H+]1CCc1cnccn1 ZINC000402934698 384275322 /nfs/dbraw/zinc/27/53/22/384275322.db2.gz URXHXXMJCAVTJG-LLVKDONJSA-N 1 2 223.276 -0.288 20 0 BBADLO Nc1nc(N)nc(C[N@@H+](CCCO)C2CC2)n1 ZINC000404314654 359494233 /nfs/dbraw/zinc/49/42/33/359494233.db2.gz SWOQVQRELYNPFN-UHFFFAOYSA-N 1 2 238.295 -0.956 20 0 BBADLO Nc1nc(N)nc(C[N@H+](CCCO)C2CC2)n1 ZINC000404314654 359494229 /nfs/dbraw/zinc/49/42/29/359494229.db2.gz SWOQVQRELYNPFN-UHFFFAOYSA-N 1 2 238.295 -0.956 20 0 BBADLO CCn1cc(CNc2[nH+]cnc(N)c2OC)nn1 ZINC000404472829 487569789 /nfs/dbraw/zinc/56/97/89/487569789.db2.gz ZPYJJTJNIZWSIF-UHFFFAOYSA-N 1 2 249.278 -0.287 20 0 BBADLO CCn1cc(CNc2nc[nH+]c(N)c2OC)nn1 ZINC000404472829 487569784 /nfs/dbraw/zinc/56/97/84/487569784.db2.gz ZPYJJTJNIZWSIF-UHFFFAOYSA-N 1 2 249.278 -0.287 20 0 BBADLO Cc1nc(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)n[nH]1 ZINC000405320689 411425497 /nfs/dbraw/zinc/42/54/97/411425497.db2.gz RFXZJPAZJULCLY-VHSXEESVSA-N 1 2 237.307 -0.636 20 0 BBADLO Cc1nc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)n[nH]1 ZINC000405320689 411425495 /nfs/dbraw/zinc/42/54/95/411425495.db2.gz RFXZJPAZJULCLY-VHSXEESVSA-N 1 2 237.307 -0.636 20 0 BBADLO Cc1nc(N)nc(NCCN2CCCC2=O)[nH+]1 ZINC000405468661 411940974 /nfs/dbraw/zinc/94/09/74/411940974.db2.gz DIZPAUQPKNHITE-UHFFFAOYSA-N 1 2 236.279 -0.782 20 0 BBADLO Cc1nc(NCCN2CCCC2=O)nc(N)[nH+]1 ZINC000405468661 411940967 /nfs/dbraw/zinc/94/09/67/411940967.db2.gz DIZPAUQPKNHITE-UHFFFAOYSA-N 1 2 236.279 -0.782 20 0 BBADLO Cn1cc[nH+]c1CN1CCNC(=O)CC1 ZINC000407947784 385084286 /nfs/dbraw/zinc/08/42/86/385084286.db2.gz ABEWSGSDIFQZFI-UHFFFAOYSA-N 1 2 208.265 -0.258 20 0 BBADLO Cn1ccc(C[N@H+]2CCNC(=O)CC2)n1 ZINC000407947809 385085214 /nfs/dbraw/zinc/08/52/14/385085214.db2.gz DORPQXRMOSKBLU-UHFFFAOYSA-N 1 2 208.265 -0.258 20 0 BBADLO Cn1ccc(C[N@@H+]2CCNC(=O)CC2)n1 ZINC000407947809 385085211 /nfs/dbraw/zinc/08/52/11/385085211.db2.gz DORPQXRMOSKBLU-UHFFFAOYSA-N 1 2 208.265 -0.258 20 0 BBADLO Cn1cc(C[N@H+]2CCNC(=O)CC2)cn1 ZINC000407947811 385085010 /nfs/dbraw/zinc/08/50/10/385085010.db2.gz DQCDMZBGHZHAKX-UHFFFAOYSA-N 1 2 208.265 -0.258 20 0 BBADLO Cn1cc(C[N@@H+]2CCNC(=O)CC2)cn1 ZINC000407947811 385085005 /nfs/dbraw/zinc/08/50/05/385085005.db2.gz DQCDMZBGHZHAKX-UHFFFAOYSA-N 1 2 208.265 -0.258 20 0 BBADLO Cn1c[nH+]cc1CN1CCNC(=O)CC1 ZINC000407947882 385086135 /nfs/dbraw/zinc/08/61/35/385086135.db2.gz JUEQWAYVUSWMBM-UHFFFAOYSA-N 1 2 208.265 -0.258 20 0 BBADLO Cn1cncc1C[N@H+]1CCNC(=O)CC1 ZINC000407947882 385086129 /nfs/dbraw/zinc/08/61/29/385086129.db2.gz JUEQWAYVUSWMBM-UHFFFAOYSA-N 1 2 208.265 -0.258 20 0 BBADLO Cn1cncc1C[N@@H+]1CCNC(=O)CC1 ZINC000407947882 385086122 /nfs/dbraw/zinc/08/61/22/385086122.db2.gz JUEQWAYVUSWMBM-UHFFFAOYSA-N 1 2 208.265 -0.258 20 0 BBADLO CS(=O)(=O)NCCN1CCn2cc[nH+]c2C1 ZINC000407947970 385089996 /nfs/dbraw/zinc/08/99/96/385089996.db2.gz FMGDROXXBFMMBF-UHFFFAOYSA-N 1 2 244.320 -0.752 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1CCn1cncn1 ZINC000407948260 136207157 /nfs/dbraw/zinc/20/71/57/136207157.db2.gz VOKYFPDIGALVHE-MRVPVSSYSA-N 1 2 209.253 -0.902 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1CCn1cncn1 ZINC000407948260 136207156 /nfs/dbraw/zinc/20/71/56/136207156.db2.gz VOKYFPDIGALVHE-MRVPVSSYSA-N 1 2 209.253 -0.902 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1CCn1cncn1 ZINC000407948265 136207148 /nfs/dbraw/zinc/20/71/48/136207148.db2.gz VOKYFPDIGALVHE-QMMMGPOBSA-N 1 2 209.253 -0.902 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1CCn1cncn1 ZINC000407948265 136207147 /nfs/dbraw/zinc/20/71/47/136207147.db2.gz VOKYFPDIGALVHE-QMMMGPOBSA-N 1 2 209.253 -0.902 20 0 BBADLO CO[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@@H]1OC ZINC000407948291 383952021 /nfs/dbraw/zinc/95/20/21/383952021.db2.gz AMAOVEGPYFOARG-DTORHVGOSA-N 1 2 226.280 -0.339 20 0 BBADLO CO[C@@H]1C[N@H+](Cc2ncnn2C)C[C@@H]1OC ZINC000407948291 383952019 /nfs/dbraw/zinc/95/20/19/383952019.db2.gz AMAOVEGPYFOARG-DTORHVGOSA-N 1 2 226.280 -0.339 20 0 BBADLO CO[C@H]1C[NH+](Cc2ncnn2C)C[C@@H]1OC ZINC000407948296 383951879 /nfs/dbraw/zinc/95/18/79/383951879.db2.gz AMAOVEGPYFOARG-IUCAKERBSA-N 1 2 226.280 -0.339 20 0 BBADLO CO[C@@H]1C[NH+](Cc2ncnn2C)C[C@H]1OC ZINC000407948297 385082521 /nfs/dbraw/zinc/08/25/21/385082521.db2.gz AMAOVEGPYFOARG-RKDXNWHRSA-N 1 2 226.280 -0.339 20 0 BBADLO Cn1nnnc1C[N@@H+](C)C[C@H]1CCCO1 ZINC000407948301 136207293 /nfs/dbraw/zinc/20/72/93/136207293.db2.gz YRBWLBQOAMALDI-MRVPVSSYSA-N 1 2 211.269 -0.179 20 0 BBADLO Cn1nnnc1C[N@H+](C)C[C@H]1CCCO1 ZINC000407948301 136207292 /nfs/dbraw/zinc/20/72/92/136207292.db2.gz YRBWLBQOAMALDI-MRVPVSSYSA-N 1 2 211.269 -0.179 20 0 BBADLO Cc1cc(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)on1 ZINC000407948978 178001007 /nfs/dbraw/zinc/00/10/07/178001007.db2.gz NKFJKHWCIAFTIT-SECBINFHSA-N 1 2 245.304 -0.154 20 0 BBADLO Cc1cc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)on1 ZINC000407948978 178001005 /nfs/dbraw/zinc/00/10/05/178001005.db2.gz NKFJKHWCIAFTIT-SECBINFHSA-N 1 2 245.304 -0.154 20 0 BBADLO Cc1cc(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)on1 ZINC000407948985 178002582 /nfs/dbraw/zinc/00/25/82/178002582.db2.gz NKFJKHWCIAFTIT-VIFPVBQESA-N 1 2 245.304 -0.154 20 0 BBADLO Cc1cc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)on1 ZINC000407948985 178002581 /nfs/dbraw/zinc/00/25/81/178002581.db2.gz NKFJKHWCIAFTIT-VIFPVBQESA-N 1 2 245.304 -0.154 20 0 BBADLO Cc1nc(C)n(C[C@H]2C[N@@H+](CCO)CCO2)n1 ZINC000407948990 385112662 /nfs/dbraw/zinc/11/26/62/385112662.db2.gz CFOCFHBXIQCTPU-LLVKDONJSA-N 1 2 240.307 -0.412 20 0 BBADLO Cc1nc(C)n(C[C@H]2C[N@H+](CCO)CCO2)n1 ZINC000407948990 385112654 /nfs/dbraw/zinc/11/26/54/385112654.db2.gz CFOCFHBXIQCTPU-LLVKDONJSA-N 1 2 240.307 -0.412 20 0 BBADLO Cc1nc(C)n(C[C@@H]2C[N@@H+](CCO)CCO2)n1 ZINC000407948993 385112291 /nfs/dbraw/zinc/11/22/91/385112291.db2.gz CFOCFHBXIQCTPU-NSHDSACASA-N 1 2 240.307 -0.412 20 0 BBADLO Cc1nc(C)n(C[C@@H]2C[N@H+](CCO)CCO2)n1 ZINC000407948993 385112288 /nfs/dbraw/zinc/11/22/88/385112288.db2.gz CFOCFHBXIQCTPU-NSHDSACASA-N 1 2 240.307 -0.412 20 0 BBADLO CC(C)N1CC[C@@H]([N@H+]2CCO[C@@H](CO)C2)C1=O ZINC000407949017 385112419 /nfs/dbraw/zinc/11/24/19/385112419.db2.gz CVWJRDCNOOLQLU-GHMZBOCLSA-N 1 2 242.319 -0.311 20 0 BBADLO CC(C)N1CC[C@@H]([N@@H+]2CCO[C@@H](CO)C2)C1=O ZINC000407949017 385112416 /nfs/dbraw/zinc/11/24/16/385112416.db2.gz CVWJRDCNOOLQLU-GHMZBOCLSA-N 1 2 242.319 -0.311 20 0 BBADLO CC(C)N1CC[C@H]([N@H+]2CCO[C@@H](CO)C2)C1=O ZINC000407949022 385113444 /nfs/dbraw/zinc/11/34/44/385113444.db2.gz CVWJRDCNOOLQLU-MNOVXSKESA-N 1 2 242.319 -0.311 20 0 BBADLO CC(C)N1CC[C@H]([N@@H+]2CCO[C@@H](CO)C2)C1=O ZINC000407949022 385113436 /nfs/dbraw/zinc/11/34/36/385113436.db2.gz CVWJRDCNOOLQLU-MNOVXSKESA-N 1 2 242.319 -0.311 20 0 BBADLO CC(C)N1CC[C@H]([N@H+]2CCO[C@H](CO)C2)C1=O ZINC000407949023 385112939 /nfs/dbraw/zinc/11/29/39/385112939.db2.gz CVWJRDCNOOLQLU-QWRGUYRKSA-N 1 2 242.319 -0.311 20 0 BBADLO CC(C)N1CC[C@H]([N@@H+]2CCO[C@H](CO)C2)C1=O ZINC000407949023 385112933 /nfs/dbraw/zinc/11/29/33/385112933.db2.gz CVWJRDCNOOLQLU-QWRGUYRKSA-N 1 2 242.319 -0.311 20 0 BBADLO CC(C)N1CC[C@@H]([N@H+]2CCO[C@H](CO)C2)C1=O ZINC000407949025 385112895 /nfs/dbraw/zinc/11/28/95/385112895.db2.gz CVWJRDCNOOLQLU-WDEREUQCSA-N 1 2 242.319 -0.311 20 0 BBADLO CC(C)N1CC[C@@H]([N@@H+]2CCO[C@H](CO)C2)C1=O ZINC000407949025 385112887 /nfs/dbraw/zinc/11/28/87/385112887.db2.gz CVWJRDCNOOLQLU-WDEREUQCSA-N 1 2 242.319 -0.311 20 0 BBADLO CO[C@@H]1C[N@@H+](Cc2nnc(C)n2C)C[C@@H]1OC ZINC000407949044 385111106 /nfs/dbraw/zinc/11/11/06/385111106.db2.gz DVOYGBFSIIGZPK-AOOOYVTPSA-N 1 2 240.307 -0.031 20 0 BBADLO CO[C@@H]1C[N@H+](Cc2nnc(C)n2C)C[C@@H]1OC ZINC000407949044 385111102 /nfs/dbraw/zinc/11/11/02/385111102.db2.gz DVOYGBFSIIGZPK-AOOOYVTPSA-N 1 2 240.307 -0.031 20 0 BBADLO CO[C@@H]1C[NH+](Cc2nnc(C)n2C)C[C@H]1OC ZINC000407949046 385112188 /nfs/dbraw/zinc/11/21/88/385112188.db2.gz DVOYGBFSIIGZPK-NXEZZACHSA-N 1 2 240.307 -0.031 20 0 BBADLO CO[C@H]1C[NH+](Cc2nnc(C)n2C)C[C@@H]1OC ZINC000407949047 385113365 /nfs/dbraw/zinc/11/33/65/385113365.db2.gz DVOYGBFSIIGZPK-UWVGGRQHSA-N 1 2 240.307 -0.031 20 0 BBADLO Cn1cc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)cn1 ZINC000407949384 385102210 /nfs/dbraw/zinc/10/22/10/385102210.db2.gz HJPHFDAODCKWJG-JTQLQIEISA-N 1 2 235.291 -0.371 20 0 BBADLO Cn1cc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)cn1 ZINC000407949384 385102207 /nfs/dbraw/zinc/10/22/07/385102207.db2.gz HJPHFDAODCKWJG-JTQLQIEISA-N 1 2 235.291 -0.371 20 0 BBADLO Cn1cc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)cn1 ZINC000407949390 385100724 /nfs/dbraw/zinc/10/07/24/385100724.db2.gz HJPHFDAODCKWJG-SNVBAGLBSA-N 1 2 235.291 -0.371 20 0 BBADLO Cn1cc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)cn1 ZINC000407949390 385100718 /nfs/dbraw/zinc/10/07/18/385100718.db2.gz HJPHFDAODCKWJG-SNVBAGLBSA-N 1 2 235.291 -0.371 20 0 BBADLO O=C1CCCN1CC[N@H+]1CCO[C@H](CO)C1 ZINC000407949669 136208007 /nfs/dbraw/zinc/20/80/07/136208007.db2.gz TYCUBVZKVVCKTP-JTQLQIEISA-N 1 2 228.292 -0.698 20 0 BBADLO O=C1CCCN1CC[N@@H+]1CCO[C@H](CO)C1 ZINC000407949669 136208006 /nfs/dbraw/zinc/20/80/06/136208006.db2.gz TYCUBVZKVVCKTP-JTQLQIEISA-N 1 2 228.292 -0.698 20 0 BBADLO O=C1CCCN1CC[N@H+]1CCO[C@@H](CO)C1 ZINC000407949671 136208016 /nfs/dbraw/zinc/20/80/16/136208016.db2.gz TYCUBVZKVVCKTP-SNVBAGLBSA-N 1 2 228.292 -0.698 20 0 BBADLO O=C1CCCN1CC[N@@H+]1CCO[C@@H](CO)C1 ZINC000407949671 136208015 /nfs/dbraw/zinc/20/80/15/136208015.db2.gz TYCUBVZKVVCKTP-SNVBAGLBSA-N 1 2 228.292 -0.698 20 0 BBADLO CS(=O)(=O)NCC[N@H+]1CCc2n[nH]cc2C1 ZINC000407949981 385100313 /nfs/dbraw/zinc/10/03/13/385100313.db2.gz XPHCWSBCSHQDRB-UHFFFAOYSA-N 1 2 244.320 -0.683 20 0 BBADLO CS(=O)(=O)NCC[N@@H+]1CCc2n[nH]cc2C1 ZINC000407949981 385100309 /nfs/dbraw/zinc/10/03/09/385100309.db2.gz XPHCWSBCSHQDRB-UHFFFAOYSA-N 1 2 244.320 -0.683 20 0 BBADLO CC[N@H+]1CCC[C@@H](NC(=O)CS(C)(=O)=O)C1 ZINC000407953889 385123756 /nfs/dbraw/zinc/12/37/56/385123756.db2.gz DUQFMCWIIPGTTK-SECBINFHSA-N 1 2 248.348 -0.369 20 0 BBADLO CC[N@@H+]1CCC[C@@H](NC(=O)CS(C)(=O)=O)C1 ZINC000407953889 385123751 /nfs/dbraw/zinc/12/37/51/385123751.db2.gz DUQFMCWIIPGTTK-SECBINFHSA-N 1 2 248.348 -0.369 20 0 BBADLO CC[N@H+]1CCC[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC000407953892 385122301 /nfs/dbraw/zinc/12/23/01/385122301.db2.gz DUQFMCWIIPGTTK-VIFPVBQESA-N 1 2 248.348 -0.369 20 0 BBADLO CC[N@@H+]1CCC[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC000407953892 385122291 /nfs/dbraw/zinc/12/22/91/385122291.db2.gz DUQFMCWIIPGTTK-VIFPVBQESA-N 1 2 248.348 -0.369 20 0 BBADLO CS(=O)(=O)CC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000407960393 385145381 /nfs/dbraw/zinc/14/53/81/385145381.db2.gz VXAXISMIYKAOEA-SECBINFHSA-N 1 2 246.332 -0.662 20 0 BBADLO CS(=O)(=O)CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000407960393 385145374 /nfs/dbraw/zinc/14/53/74/385145374.db2.gz VXAXISMIYKAOEA-SECBINFHSA-N 1 2 246.332 -0.662 20 0 BBADLO CS(=O)(=O)CC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000407960396 385148910 /nfs/dbraw/zinc/14/89/10/385148910.db2.gz VXAXISMIYKAOEA-VIFPVBQESA-N 1 2 246.332 -0.662 20 0 BBADLO CS(=O)(=O)CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000407960396 385148905 /nfs/dbraw/zinc/14/89/05/385148905.db2.gz VXAXISMIYKAOEA-VIFPVBQESA-N 1 2 246.332 -0.662 20 0 BBADLO C[C@H]1C[N@@H+](CC(=O)NC(N)=O)[C@@H](C)CO1 ZINC000407962812 385171859 /nfs/dbraw/zinc/17/18/59/385171859.db2.gz BAXGOJMEZLSOCB-BQBZGAKWSA-N 1 2 215.253 -0.710 20 0 BBADLO C[C@H]1C[N@H+](CC(=O)NC(N)=O)[C@@H](C)CO1 ZINC000407962812 385171856 /nfs/dbraw/zinc/17/18/56/385171856.db2.gz BAXGOJMEZLSOCB-BQBZGAKWSA-N 1 2 215.253 -0.710 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)[C@@H](C)CO1 ZINC000407962819 385171340 /nfs/dbraw/zinc/17/13/40/385171340.db2.gz BAXGOJMEZLSOCB-NKWVEPMBSA-N 1 2 215.253 -0.710 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)[C@@H](C)CO1 ZINC000407962819 385171334 /nfs/dbraw/zinc/17/13/34/385171334.db2.gz BAXGOJMEZLSOCB-NKWVEPMBSA-N 1 2 215.253 -0.710 20 0 BBADLO CCNC(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000407965008 170079420 /nfs/dbraw/zinc/07/94/20/170079420.db2.gz URFXDQMOGXHHDE-UHFFFAOYSA-N 1 2 242.323 -0.530 20 0 BBADLO CCN(C(=O)C[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000407967597 385208111 /nfs/dbraw/zinc/20/81/11/385208111.db2.gz SHNDUKKOJCEPDK-SECBINFHSA-N 1 2 248.348 -0.416 20 0 BBADLO CCN(C(=O)C[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000407967599 385207886 /nfs/dbraw/zinc/20/78/86/385207886.db2.gz SHNDUKKOJCEPDK-VIFPVBQESA-N 1 2 248.348 -0.416 20 0 BBADLO CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000407972110 384952794 /nfs/dbraw/zinc/95/27/94/384952794.db2.gz DTMLCLJWRFRHRT-JTQLQIEISA-N 1 2 216.281 -0.842 20 0 BBADLO CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000407972111 385239451 /nfs/dbraw/zinc/23/94/51/385239451.db2.gz DTMLCLJWRFRHRT-SNVBAGLBSA-N 1 2 216.281 -0.842 20 0 BBADLO CC(=O)C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000407973601 133455583 /nfs/dbraw/zinc/45/55/83/133455583.db2.gz QUSHUMCCFCFYBI-PSASIEDQSA-N 1 2 228.292 -0.199 20 0 BBADLO CC(=O)C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000407973601 133455582 /nfs/dbraw/zinc/45/55/82/133455582.db2.gz QUSHUMCCFCFYBI-PSASIEDQSA-N 1 2 228.292 -0.199 20 0 BBADLO CC(=O)C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000407973602 384974310 /nfs/dbraw/zinc/97/43/10/384974310.db2.gz QUSHUMCCFCFYBI-SCZZXKLOSA-N 1 2 228.292 -0.199 20 0 BBADLO CC(=O)C[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000407973602 384974303 /nfs/dbraw/zinc/97/43/03/384974303.db2.gz QUSHUMCCFCFYBI-SCZZXKLOSA-N 1 2 228.292 -0.199 20 0 BBADLO CC(=O)C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000407973603 385251279 /nfs/dbraw/zinc/25/12/79/385251279.db2.gz QUSHUMCCFCFYBI-WCBMZHEXSA-N 1 2 228.292 -0.199 20 0 BBADLO CC(=O)C[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000407973603 385251275 /nfs/dbraw/zinc/25/12/75/385251275.db2.gz QUSHUMCCFCFYBI-WCBMZHEXSA-N 1 2 228.292 -0.199 20 0 BBADLO CC(=O)C[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000407973605 384977985 /nfs/dbraw/zinc/97/79/85/384977985.db2.gz QUSHUMCCFCFYBI-WPRPVWTQSA-N 1 2 228.292 -0.199 20 0 BBADLO CC(=O)C[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000407973605 384977978 /nfs/dbraw/zinc/97/79/78/384977978.db2.gz QUSHUMCCFCFYBI-WPRPVWTQSA-N 1 2 228.292 -0.199 20 0 BBADLO CNC(=O)NC1CN(c2cc(C)[nH+]cn2)C1 ZINC000407978070 385276602 /nfs/dbraw/zinc/27/66/02/385276602.db2.gz WRASBYUFEJZFMY-UHFFFAOYSA-N 1 2 221.264 -0.097 20 0 BBADLO CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000407980129 385281116 /nfs/dbraw/zinc/28/11/16/385281116.db2.gz IRGSOTFFZUGUOY-HTQZYQBOSA-N 1 2 229.280 -0.449 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000407980129 385281110 /nfs/dbraw/zinc/28/11/10/385281110.db2.gz IRGSOTFFZUGUOY-HTQZYQBOSA-N 1 2 229.280 -0.449 20 0 BBADLO CNC(=O)NC(=O)C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000407980130 385280702 /nfs/dbraw/zinc/28/07/02/385280702.db2.gz IRGSOTFFZUGUOY-SFYZADRCSA-N 1 2 229.280 -0.449 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000407980130 385280698 /nfs/dbraw/zinc/28/06/98/385280698.db2.gz IRGSOTFFZUGUOY-SFYZADRCSA-N 1 2 229.280 -0.449 20 0 BBADLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)NC(=O)NC ZINC000407980897 385170578 /nfs/dbraw/zinc/17/05/78/385170578.db2.gz OSCQVMMQNLKMIQ-BDAKNGLRSA-N 1 2 243.307 -0.059 20 0 BBADLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)NC(=O)NC ZINC000407980897 385170570 /nfs/dbraw/zinc/17/05/70/385170570.db2.gz OSCQVMMQNLKMIQ-BDAKNGLRSA-N 1 2 243.307 -0.059 20 0 BBADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)NC(=O)NC ZINC000407980899 171107922 /nfs/dbraw/zinc/10/79/22/171107922.db2.gz OSCQVMMQNLKMIQ-DTWKUNHWSA-N 1 2 243.307 -0.059 20 0 BBADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NC(=O)NC ZINC000407980899 171107921 /nfs/dbraw/zinc/10/79/21/171107921.db2.gz OSCQVMMQNLKMIQ-DTWKUNHWSA-N 1 2 243.307 -0.059 20 0 BBADLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)NC(=O)NC ZINC000407980900 385282759 /nfs/dbraw/zinc/28/27/59/385282759.db2.gz OSCQVMMQNLKMIQ-IUCAKERBSA-N 1 2 243.307 -0.059 20 0 BBADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NC(=O)NC ZINC000407980900 385282753 /nfs/dbraw/zinc/28/27/53/385282753.db2.gz OSCQVMMQNLKMIQ-IUCAKERBSA-N 1 2 243.307 -0.059 20 0 BBADLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)NC(=O)NC ZINC000407980901 343943162 /nfs/dbraw/zinc/94/31/62/343943162.db2.gz OSCQVMMQNLKMIQ-RKDXNWHRSA-N 1 2 243.307 -0.059 20 0 BBADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)NC(=O)NC ZINC000407980901 343943159 /nfs/dbraw/zinc/94/31/59/343943159.db2.gz OSCQVMMQNLKMIQ-RKDXNWHRSA-N 1 2 243.307 -0.059 20 0 BBADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C(C)C)C1 ZINC000407981359 385289481 /nfs/dbraw/zinc/28/94/81/385289481.db2.gz SZSFPIUDTIOVBE-JTQLQIEISA-N 1 2 241.335 -0.031 20 0 BBADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C(C)C)C1 ZINC000407981359 385289479 /nfs/dbraw/zinc/28/94/79/385289479.db2.gz SZSFPIUDTIOVBE-JTQLQIEISA-N 1 2 241.335 -0.031 20 0 BBADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000407981365 385288370 /nfs/dbraw/zinc/28/83/70/385288370.db2.gz SZSFPIUDTIOVBE-SNVBAGLBSA-N 1 2 241.335 -0.031 20 0 BBADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000407981365 385288368 /nfs/dbraw/zinc/28/83/68/385288368.db2.gz SZSFPIUDTIOVBE-SNVBAGLBSA-N 1 2 241.335 -0.031 20 0 BBADLO CC(C)(C)n1ncnc1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000407982495 385292580 /nfs/dbraw/zinc/29/25/80/385292580.db2.gz HHQWVDGAZHRNCL-DTORHVGOSA-N 1 2 240.307 -0.430 20 0 BBADLO CC(C)(C)n1ncnc1C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000407982495 385292574 /nfs/dbraw/zinc/29/25/74/385292574.db2.gz HHQWVDGAZHRNCL-DTORHVGOSA-N 1 2 240.307 -0.430 20 0 BBADLO CC(C)(C)n1ncnc1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000407982500 385291840 /nfs/dbraw/zinc/29/18/40/385291840.db2.gz HHQWVDGAZHRNCL-IUCAKERBSA-N 1 2 240.307 -0.430 20 0 BBADLO CC(C)(C)n1ncnc1C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000407982501 385291026 /nfs/dbraw/zinc/29/10/26/385291026.db2.gz HHQWVDGAZHRNCL-RKDXNWHRSA-N 1 2 240.307 -0.430 20 0 BBADLO Cc1nnc([C@H](C)[N@@H+]2C[C@@H](O)[C@@H](O)C2)s1 ZINC000407984548 136208858 /nfs/dbraw/zinc/20/88/58/136208858.db2.gz ZECAFCKLRKFETB-APQOSEDMSA-N 1 2 229.305 -0.055 20 0 BBADLO Cc1nnc([C@H](C)[N@H+]2C[C@@H](O)[C@@H](O)C2)s1 ZINC000407984548 136208857 /nfs/dbraw/zinc/20/88/57/136208857.db2.gz ZECAFCKLRKFETB-APQOSEDMSA-N 1 2 229.305 -0.055 20 0 BBADLO Cc1nnc([C@H](C)[NH+]2C[C@H](O)[C@@H](O)C2)s1 ZINC000407984551 136208873 /nfs/dbraw/zinc/20/88/73/136208873.db2.gz ZECAFCKLRKFETB-GEVIPFJHSA-N 1 2 229.305 -0.055 20 0 BBADLO Cc1nnc([C@@H](C)[N@@H+]2C[C@@H](O)[C@@H](O)C2)s1 ZINC000407984552 136208883 /nfs/dbraw/zinc/20/88/83/136208883.db2.gz ZECAFCKLRKFETB-NJUXHZRNSA-N 1 2 229.305 -0.055 20 0 BBADLO Cc1nnc([C@@H](C)[N@H+]2C[C@@H](O)[C@@H](O)C2)s1 ZINC000407984552 136208882 /nfs/dbraw/zinc/20/88/82/136208882.db2.gz ZECAFCKLRKFETB-NJUXHZRNSA-N 1 2 229.305 -0.055 20 0 BBADLO Cc1nnc([C@H](C)[NH+]2C[C@@H](O)[C@H](O)C2)s1 ZINC000407984553 136208852 /nfs/dbraw/zinc/20/88/52/136208852.db2.gz ZECAFCKLRKFETB-UIISKDMLSA-N 1 2 229.305 -0.055 20 0 BBADLO CCn1nncc1C(=O)N1CC[NH+](C)CC1 ZINC000407987340 397801126 /nfs/dbraw/zinc/80/11/26/397801126.db2.gz XVKPHPAVMFJNEW-UHFFFAOYSA-N 1 2 223.280 -0.314 20 0 BBADLO CNS(=O)(=O)CCC[N@H+]1CCC(=O)[C@H](C)C1 ZINC000407987462 397800913 /nfs/dbraw/zinc/80/09/13/397800913.db2.gz XWYRCZRYQOHIED-SECBINFHSA-N 1 2 248.348 -0.163 20 0 BBADLO CNS(=O)(=O)CCC[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000407987462 397800911 /nfs/dbraw/zinc/80/09/11/397800911.db2.gz XWYRCZRYQOHIED-SECBINFHSA-N 1 2 248.348 -0.163 20 0 BBADLO CNS(=O)(=O)CCC[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000407987463 397800924 /nfs/dbraw/zinc/80/09/24/397800924.db2.gz XWYRCZRYQOHIED-VIFPVBQESA-N 1 2 248.348 -0.163 20 0 BBADLO CNS(=O)(=O)CCC[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000407987463 397800921 /nfs/dbraw/zinc/80/09/21/397800921.db2.gz XWYRCZRYQOHIED-VIFPVBQESA-N 1 2 248.348 -0.163 20 0 BBADLO C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)CCC1=O ZINC000407987498 397801386 /nfs/dbraw/zinc/80/13/86/397801386.db2.gz YMWWVFFKDJRZJY-MRVPVSSYSA-N 1 2 239.275 -0.551 20 0 BBADLO C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)CCC1=O ZINC000407987498 397801381 /nfs/dbraw/zinc/80/13/81/397801381.db2.gz YMWWVFFKDJRZJY-MRVPVSSYSA-N 1 2 239.275 -0.551 20 0 BBADLO C[C@H]1C[N@@H+](CCN2C(=O)CNC2=O)CCC1=O ZINC000407987499 397800705 /nfs/dbraw/zinc/80/07/05/397800705.db2.gz YMWWVFFKDJRZJY-QMMMGPOBSA-N 1 2 239.275 -0.551 20 0 BBADLO C[C@H]1C[N@H+](CCN2C(=O)CNC2=O)CCC1=O ZINC000407987499 397800702 /nfs/dbraw/zinc/80/07/02/397800702.db2.gz YMWWVFFKDJRZJY-QMMMGPOBSA-N 1 2 239.275 -0.551 20 0 BBADLO NC(=O)[C@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC000407990419 385313063 /nfs/dbraw/zinc/31/30/63/385313063.db2.gz OELJAYPWFQMVGB-MRVPVSSYSA-N 1 2 211.265 -0.832 20 0 BBADLO NC(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC000407990419 385313057 /nfs/dbraw/zinc/31/30/57/385313057.db2.gz OELJAYPWFQMVGB-MRVPVSSYSA-N 1 2 211.265 -0.832 20 0 BBADLO NC(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC000407990423 383883771 /nfs/dbraw/zinc/88/37/71/383883771.db2.gz OELJAYPWFQMVGB-QMMMGPOBSA-N 1 2 211.265 -0.832 20 0 BBADLO NC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC000407990423 383883768 /nfs/dbraw/zinc/88/37/68/383883768.db2.gz OELJAYPWFQMVGB-QMMMGPOBSA-N 1 2 211.265 -0.832 20 0 BBADLO Cn1nnnc1C[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000407993855 385332781 /nfs/dbraw/zinc/33/27/81/385332781.db2.gz VHQFEDJTVLIYGJ-BDAKNGLRSA-N 1 2 225.296 -0.197 20 0 BBADLO Cn1nnnc1C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000407993855 385332773 /nfs/dbraw/zinc/33/27/73/385332773.db2.gz VHQFEDJTVLIYGJ-BDAKNGLRSA-N 1 2 225.296 -0.197 20 0 BBADLO Cn1nnnc1C[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000407993856 385332158 /nfs/dbraw/zinc/33/21/58/385332158.db2.gz VHQFEDJTVLIYGJ-DTWKUNHWSA-N 1 2 225.296 -0.197 20 0 BBADLO Cn1nnnc1C[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000407993856 385332152 /nfs/dbraw/zinc/33/21/52/385332152.db2.gz VHQFEDJTVLIYGJ-DTWKUNHWSA-N 1 2 225.296 -0.197 20 0 BBADLO Cn1nnnc1C[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000407993857 385331141 /nfs/dbraw/zinc/33/11/41/385331141.db2.gz VHQFEDJTVLIYGJ-IUCAKERBSA-N 1 2 225.296 -0.197 20 0 BBADLO Cn1nnnc1C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000407993857 385331137 /nfs/dbraw/zinc/33/11/37/385331137.db2.gz VHQFEDJTVLIYGJ-IUCAKERBSA-N 1 2 225.296 -0.197 20 0 BBADLO Cn1nnnc1C[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000407993858 385331525 /nfs/dbraw/zinc/33/15/25/385331525.db2.gz VHQFEDJTVLIYGJ-RKDXNWHRSA-N 1 2 225.296 -0.197 20 0 BBADLO Cn1nnnc1C[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000407993858 385331520 /nfs/dbraw/zinc/33/15/20/385331520.db2.gz VHQFEDJTVLIYGJ-RKDXNWHRSA-N 1 2 225.296 -0.197 20 0 BBADLO NS(=O)(=O)[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000407994579 385333733 /nfs/dbraw/zinc/33/37/33/385333733.db2.gz CTXBOMZRQZRNQW-MRVPVSSYSA-N 1 2 227.289 -0.051 20 0 BBADLO NS(=O)(=O)[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000407994581 385333885 /nfs/dbraw/zinc/33/38/85/385333885.db2.gz CTXBOMZRQZRNQW-QMMMGPOBSA-N 1 2 227.289 -0.051 20 0 BBADLO CC(C)(CNC(=O)CO)[NH+]1CCOCC1 ZINC000407994869 385331642 /nfs/dbraw/zinc/33/16/42/385331642.db2.gz DYMWMJBVIVZAKH-UHFFFAOYSA-N 1 2 216.281 -0.794 20 0 BBADLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@@H+](C[C@@H](C)O)C1 ZINC000407994993 385331967 /nfs/dbraw/zinc/33/19/67/385331967.db2.gz FZEQTISDJSLCEF-HLTSFMKQSA-N 1 2 226.280 -0.053 20 0 BBADLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@H+](C[C@@H](C)O)C1 ZINC000407994993 385331964 /nfs/dbraw/zinc/33/19/64/385331964.db2.gz FZEQTISDJSLCEF-HLTSFMKQSA-N 1 2 226.280 -0.053 20 0 BBADLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@@H+](C[C@H](C)O)C1 ZINC000407994996 398138326 /nfs/dbraw/zinc/13/83/26/398138326.db2.gz FZEQTISDJSLCEF-YIZRAAEISA-N 1 2 226.280 -0.053 20 0 BBADLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@H+](C[C@H](C)O)C1 ZINC000407994996 398138324 /nfs/dbraw/zinc/13/83/24/398138324.db2.gz FZEQTISDJSLCEF-YIZRAAEISA-N 1 2 226.280 -0.053 20 0 BBADLO Cc1[nH]c(C(=O)NCC2(O)CCOCC2)c[nH+]1 ZINC000407997479 385342472 /nfs/dbraw/zinc/34/24/72/385342472.db2.gz OZCNDTQVDDFNRU-UHFFFAOYSA-N 1 2 239.275 -0.011 20 0 BBADLO Cc1[nH]c(C(=O)NC[C@@]2(O)CCOC2)c[nH+]1 ZINC000407998827 385347446 /nfs/dbraw/zinc/34/74/46/385347446.db2.gz SYTRFBREBIWPRG-JTQLQIEISA-N 1 2 225.248 -0.401 20 0 BBADLO Cc1[nH]c(C(=O)NC[C@]2(O)CCOC2)c[nH+]1 ZINC000407998836 385346599 /nfs/dbraw/zinc/34/65/99/385346599.db2.gz SYTRFBREBIWPRG-SNVBAGLBSA-N 1 2 225.248 -0.401 20 0 BBADLO Cc1[nH]c(C(=O)NC[C@@H]2COCCO2)c[nH+]1 ZINC000407999808 385348521 /nfs/dbraw/zinc/34/85/21/385348521.db2.gz XJPLNWLYZLIYCK-MRVPVSSYSA-N 1 2 225.248 -0.137 20 0 BBADLO Cc1[nH]c(C(=O)NC[C@H]2COCCO2)c[nH+]1 ZINC000407999809 385349137 /nfs/dbraw/zinc/34/91/37/385349137.db2.gz XJPLNWLYZLIYCK-QMMMGPOBSA-N 1 2 225.248 -0.137 20 0 BBADLO C[C@@H](C(=O)N1CCC(O)CC1)[NH+]1CCOCC1 ZINC000408000470 385351038 /nfs/dbraw/zinc/35/10/38/385351038.db2.gz BMCJZHPAJKBYHJ-JTQLQIEISA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H](C(=O)N1CCC(O)CC1)[NH+]1CCOCC1 ZINC000408000471 385350950 /nfs/dbraw/zinc/35/09/50/385350950.db2.gz BMCJZHPAJKBYHJ-SNVBAGLBSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H](C(=O)N1CC[C@@H](O)C1)[NH+]1CCOCC1 ZINC000408000862 385356354 /nfs/dbraw/zinc/35/63/54/385356354.db2.gz JKQKBSOVMZQLNM-NXEZZACHSA-N 1 2 228.292 -0.700 20 0 BBADLO C[C@@H](C(=O)N1CC[C@H](O)C1)[NH+]1CCOCC1 ZINC000408000863 384149028 /nfs/dbraw/zinc/14/90/28/384149028.db2.gz JKQKBSOVMZQLNM-UWVGGRQHSA-N 1 2 228.292 -0.700 20 0 BBADLO C[C@@H](C(=O)N1CC[C@@H](O)C1)[NH+]1CCOCC1 ZINC000408000864 385357359 /nfs/dbraw/zinc/35/73/59/385357359.db2.gz JKQKBSOVMZQLNM-VHSXEESVSA-N 1 2 228.292 -0.700 20 0 BBADLO C[C@H](C(=O)N1CC[C@H](O)C1)[NH+]1CCOCC1 ZINC000408000865 385355965 /nfs/dbraw/zinc/35/59/65/385355965.db2.gz JKQKBSOVMZQLNM-ZJUUUORDSA-N 1 2 228.292 -0.700 20 0 BBADLO CC[NH+]1CCN(C(=O)C(=O)NCC2CC2)CC1 ZINC000408003634 398147320 /nfs/dbraw/zinc/14/73/20/398147320.db2.gz IOZUMWAOKORORS-UHFFFAOYSA-N 1 2 239.319 -0.323 20 0 BBADLO CC(=O)N1CC[NH+](CCNC(=O)N(C)C)CC1 ZINC000408005836 385370721 /nfs/dbraw/zinc/37/07/21/385370721.db2.gz VQQSMJWVOXEDJX-UHFFFAOYSA-N 1 2 242.323 -0.578 20 0 BBADLO C[C@H](C(=O)N1CC[C@@H](CO)C1)[NH+]1CCOCC1 ZINC000408008212 136208920 /nfs/dbraw/zinc/20/89/20/136208920.db2.gz DABCGNDAALSRTA-GHMZBOCLSA-N 1 2 242.319 -0.452 20 0 BBADLO C[C@H](C(=O)N1CC[C@H](CO)C1)[NH+]1CCOCC1 ZINC000408008214 136209015 /nfs/dbraw/zinc/20/90/15/136209015.db2.gz DABCGNDAALSRTA-MNOVXSKESA-N 1 2 242.319 -0.452 20 0 BBADLO C[C@@H](C(=O)N1CC[C@H](CO)C1)[NH+]1CCOCC1 ZINC000408008216 136208950 /nfs/dbraw/zinc/20/89/50/136208950.db2.gz DABCGNDAALSRTA-QWRGUYRKSA-N 1 2 242.319 -0.452 20 0 BBADLO C[C@@H](C(=O)N1CC[C@@H](CO)C1)[NH+]1CCOCC1 ZINC000408008300 136208972 /nfs/dbraw/zinc/20/89/72/136208972.db2.gz DABCGNDAALSRTA-WDEREUQCSA-N 1 2 242.319 -0.452 20 0 BBADLO C[N@@H+](CC(=O)NC(C)(C)C)[C@@H]1CCNC1=O ZINC000408010190 385387932 /nfs/dbraw/zinc/38/79/32/385387932.db2.gz OKNBUPDNJCXSRV-MRVPVSSYSA-N 1 2 227.308 -0.279 20 0 BBADLO C[N@H+](CC(=O)NC(C)(C)C)[C@@H]1CCNC1=O ZINC000408010190 385387926 /nfs/dbraw/zinc/38/79/26/385387926.db2.gz OKNBUPDNJCXSRV-MRVPVSSYSA-N 1 2 227.308 -0.279 20 0 BBADLO C[N@@H+](CC(=O)NC(C)(C)C)[C@H]1CCNC1=O ZINC000408010456 385388425 /nfs/dbraw/zinc/38/84/25/385388425.db2.gz OKNBUPDNJCXSRV-QMMMGPOBSA-N 1 2 227.308 -0.279 20 0 BBADLO C[N@H+](CC(=O)NC(C)(C)C)[C@H]1CCNC1=O ZINC000408010456 385388423 /nfs/dbraw/zinc/38/84/23/385388423.db2.gz OKNBUPDNJCXSRV-QMMMGPOBSA-N 1 2 227.308 -0.279 20 0 BBADLO C[C@H](C(=O)N1CCC[C@@H]1CO)[NH+]1CCOCC1 ZINC000408010663 385391307 /nfs/dbraw/zinc/39/13/07/385391307.db2.gz LQMKAELYWNARIA-GHMZBOCLSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@@H](C(=O)N1CCC[C@@H]1CO)[NH+]1CCOCC1 ZINC000408010664 385390681 /nfs/dbraw/zinc/39/06/81/385390681.db2.gz LQMKAELYWNARIA-WDEREUQCSA-N 1 2 242.319 -0.310 20 0 BBADLO NC(=O)C[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000408011112 385396086 /nfs/dbraw/zinc/39/60/86/385396086.db2.gz SEDJDYXHNRZTOB-LURJTMIESA-N 1 2 226.236 -0.560 20 0 BBADLO NC(=O)C[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000408011112 385396085 /nfs/dbraw/zinc/39/60/85/385396085.db2.gz SEDJDYXHNRZTOB-LURJTMIESA-N 1 2 226.236 -0.560 20 0 BBADLO NC(=O)C[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000408011112 385396084 /nfs/dbraw/zinc/39/60/84/385396084.db2.gz SEDJDYXHNRZTOB-LURJTMIESA-N 1 2 226.236 -0.560 20 0 BBADLO NC(=O)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000408011112 385396083 /nfs/dbraw/zinc/39/60/83/385396083.db2.gz SEDJDYXHNRZTOB-LURJTMIESA-N 1 2 226.236 -0.560 20 0 BBADLO NC(=O)C[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000408011118 385395224 /nfs/dbraw/zinc/39/52/24/385395224.db2.gz SEDJDYXHNRZTOB-ZCFIWIBFSA-N 1 2 226.236 -0.560 20 0 BBADLO NC(=O)C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000408011118 385395222 /nfs/dbraw/zinc/39/52/22/385395222.db2.gz SEDJDYXHNRZTOB-ZCFIWIBFSA-N 1 2 226.236 -0.560 20 0 BBADLO NC(=O)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000408011118 385395218 /nfs/dbraw/zinc/39/52/18/385395218.db2.gz SEDJDYXHNRZTOB-ZCFIWIBFSA-N 1 2 226.236 -0.560 20 0 BBADLO NC(=O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000408011118 385395213 /nfs/dbraw/zinc/39/52/13/385395213.db2.gz SEDJDYXHNRZTOB-ZCFIWIBFSA-N 1 2 226.236 -0.560 20 0 BBADLO O=C1N=NC([C@@H]2CCC[N@H+](CCO)C2)O1 ZINC000408011521 385396878 /nfs/dbraw/zinc/39/68/78/385396878.db2.gz XNONOGKYQGUQJF-SSDOTTSWSA-N 1 2 213.237 -0.053 20 0 BBADLO O=C1N=NC([C@@H]2CCC[N@@H+](CCO)C2)O1 ZINC000408011521 385396873 /nfs/dbraw/zinc/39/68/73/385396873.db2.gz XNONOGKYQGUQJF-SSDOTTSWSA-N 1 2 213.237 -0.053 20 0 BBADLO O=C1N=NC([C@H]2CCC[N@H+](CCO)C2)O1 ZINC000408011522 385396947 /nfs/dbraw/zinc/39/69/47/385396947.db2.gz XNONOGKYQGUQJF-ZETCQYMHSA-N 1 2 213.237 -0.053 20 0 BBADLO O=C1N=NC([C@H]2CCC[N@@H+](CCO)C2)O1 ZINC000408011522 385396944 /nfs/dbraw/zinc/39/69/44/385396944.db2.gz XNONOGKYQGUQJF-ZETCQYMHSA-N 1 2 213.237 -0.053 20 0 BBADLO CNC(=O)CSCC(=O)N1CC[NH+](C)CC1 ZINC000408014751 385403989 /nfs/dbraw/zinc/40/39/89/385403989.db2.gz RYDCOJUFTJXNRS-UHFFFAOYSA-N 1 2 245.348 -0.760 20 0 BBADLO CC[C@]1(C)COCC[N@H+]1CC(=O)NC(=O)NC ZINC000408016908 385410364 /nfs/dbraw/zinc/41/03/64/385410364.db2.gz JQWSEYZGRPNTMF-LLVKDONJSA-N 1 2 243.307 -0.057 20 0 BBADLO CC[C@]1(C)COCC[N@@H+]1CC(=O)NC(=O)NC ZINC000408016908 385410360 /nfs/dbraw/zinc/41/03/60/385410360.db2.gz JQWSEYZGRPNTMF-LLVKDONJSA-N 1 2 243.307 -0.057 20 0 BBADLO CC[C@@]1(C)COCC[N@H+]1CC(=O)NC(=O)NC ZINC000408016909 385410178 /nfs/dbraw/zinc/41/01/78/385410178.db2.gz JQWSEYZGRPNTMF-NSHDSACASA-N 1 2 243.307 -0.057 20 0 BBADLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)NC(=O)NC ZINC000408016909 385410172 /nfs/dbraw/zinc/41/01/72/385410172.db2.gz JQWSEYZGRPNTMF-NSHDSACASA-N 1 2 243.307 -0.057 20 0 BBADLO CC[C@@]1(C)COCC[N@H+]1CC(=O)NC(N)=O ZINC000408018562 171204542 /nfs/dbraw/zinc/20/45/42/171204542.db2.gz TVDAILLLDRRIAB-JTQLQIEISA-N 1 2 229.280 -0.318 20 0 BBADLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)NC(N)=O ZINC000408018562 171204541 /nfs/dbraw/zinc/20/45/41/171204541.db2.gz TVDAILLLDRRIAB-JTQLQIEISA-N 1 2 229.280 -0.318 20 0 BBADLO CC[C@]1(C)COCC[N@H+]1CC(=O)NC(N)=O ZINC000408018563 385414185 /nfs/dbraw/zinc/41/41/85/385414185.db2.gz TVDAILLLDRRIAB-SNVBAGLBSA-N 1 2 229.280 -0.318 20 0 BBADLO CC[C@]1(C)COCC[N@@H+]1CC(=O)NC(N)=O ZINC000408018563 385414181 /nfs/dbraw/zinc/41/41/81/385414181.db2.gz TVDAILLLDRRIAB-SNVBAGLBSA-N 1 2 229.280 -0.318 20 0 BBADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCc2n[nH]cc2C1 ZINC000408019455 385413237 /nfs/dbraw/zinc/41/32/37/385413237.db2.gz GKBVRWLJFPNUBL-LURJTMIESA-N 1 2 237.263 -0.649 20 0 BBADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCc2n[nH]cc2C1 ZINC000408019455 385413234 /nfs/dbraw/zinc/41/32/34/385413234.db2.gz GKBVRWLJFPNUBL-LURJTMIESA-N 1 2 237.263 -0.649 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CCc2n[nH]cc2C1 ZINC000408019457 385413956 /nfs/dbraw/zinc/41/39/56/385413956.db2.gz GKBVRWLJFPNUBL-ZCFIWIBFSA-N 1 2 237.263 -0.649 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCc2n[nH]cc2C1 ZINC000408019457 385413952 /nfs/dbraw/zinc/41/39/52/385413952.db2.gz GKBVRWLJFPNUBL-ZCFIWIBFSA-N 1 2 237.263 -0.649 20 0 BBADLO CC(=O)N[C@H]1CCC[N@H+](Cc2cn(C)nn2)C1 ZINC000408020147 259314854 /nfs/dbraw/zinc/31/48/54/259314854.db2.gz BCZBSZPXDKRHMU-JTQLQIEISA-N 1 2 237.307 -0.084 20 0 BBADLO CC(=O)N[C@H]1CCC[N@@H+](Cc2cn(C)nn2)C1 ZINC000408020147 259314852 /nfs/dbraw/zinc/31/48/52/259314852.db2.gz BCZBSZPXDKRHMU-JTQLQIEISA-N 1 2 237.307 -0.084 20 0 BBADLO CC(=O)N[C@@H]1CCC[N@H+](Cc2cn(C)nn2)C1 ZINC000408020152 259314805 /nfs/dbraw/zinc/31/48/05/259314805.db2.gz BCZBSZPXDKRHMU-SNVBAGLBSA-N 1 2 237.307 -0.084 20 0 BBADLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cn(C)nn2)C1 ZINC000408020152 259314803 /nfs/dbraw/zinc/31/48/03/259314803.db2.gz BCZBSZPXDKRHMU-SNVBAGLBSA-N 1 2 237.307 -0.084 20 0 BBADLO CO[C@@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC000408020960 385419948 /nfs/dbraw/zinc/41/99/48/385419948.db2.gz KMIMPBLQSMSRJM-MRVPVSSYSA-N 1 2 211.269 -0.179 20 0 BBADLO CO[C@@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC000408020960 385419946 /nfs/dbraw/zinc/41/99/46/385419946.db2.gz KMIMPBLQSMSRJM-MRVPVSSYSA-N 1 2 211.269 -0.179 20 0 BBADLO CO[C@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC000408021134 136209138 /nfs/dbraw/zinc/20/91/38/136209138.db2.gz KMIMPBLQSMSRJM-QMMMGPOBSA-N 1 2 211.269 -0.179 20 0 BBADLO CO[C@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC000408021134 136209137 /nfs/dbraw/zinc/20/91/37/136209137.db2.gz KMIMPBLQSMSRJM-QMMMGPOBSA-N 1 2 211.269 -0.179 20 0 BBADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cn(C)nn1 ZINC000408021866 385420576 /nfs/dbraw/zinc/42/05/76/385420576.db2.gz JRQRKCKEYUWCOT-SECBINFHSA-N 1 2 223.280 -0.475 20 0 BBADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cn(C)nn1 ZINC000408021866 385420572 /nfs/dbraw/zinc/42/05/72/385420572.db2.gz JRQRKCKEYUWCOT-SECBINFHSA-N 1 2 223.280 -0.475 20 0 BBADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cn(C)nn1 ZINC000408021868 385420596 /nfs/dbraw/zinc/42/05/96/385420596.db2.gz JRQRKCKEYUWCOT-VIFPVBQESA-N 1 2 223.280 -0.475 20 0 BBADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cn(C)nn1 ZINC000408021868 385420592 /nfs/dbraw/zinc/42/05/92/385420592.db2.gz JRQRKCKEYUWCOT-VIFPVBQESA-N 1 2 223.280 -0.475 20 0 BBADLO C[NH+]1CCN(C(=O)c2ccc(C(N)=O)cn2)CC1 ZINC000408022330 385422202 /nfs/dbraw/zinc/42/22/02/385422202.db2.gz LXNJJBATCAFBNY-UHFFFAOYSA-N 1 2 248.286 -0.432 20 0 BBADLO Cn1c[nH+]cc1CN1CCN(C(=O)CO)CC1 ZINC000408023297 487655978 /nfs/dbraw/zinc/65/59/78/487655978.db2.gz RJQYEMRCMLYMKP-UHFFFAOYSA-N 1 2 238.291 -0.943 20 0 BBADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cn(C)nn1 ZINC000408024164 343965153 /nfs/dbraw/zinc/96/51/53/343965153.db2.gz XVXDXNVEYJIYCH-JTQLQIEISA-N 1 2 237.307 -0.132 20 0 BBADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cn(C)nn1 ZINC000408024164 343965150 /nfs/dbraw/zinc/96/51/50/343965150.db2.gz XVXDXNVEYJIYCH-JTQLQIEISA-N 1 2 237.307 -0.132 20 0 BBADLO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1cn(C)nn1 ZINC000408024165 343965328 /nfs/dbraw/zinc/96/53/28/343965328.db2.gz XVXDXNVEYJIYCH-SNVBAGLBSA-N 1 2 237.307 -0.132 20 0 BBADLO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1cn(C)nn1 ZINC000408024165 343965327 /nfs/dbraw/zinc/96/53/27/343965327.db2.gz XVXDXNVEYJIYCH-SNVBAGLBSA-N 1 2 237.307 -0.132 20 0 BBADLO C[C@H](C(=O)N(C)CC(N)=O)[NH+]1CCSCC1 ZINC000408026752 385429215 /nfs/dbraw/zinc/42/92/15/385429215.db2.gz GPYDLPAXOIRMJH-MRVPVSSYSA-N 1 2 245.348 -0.633 20 0 BBADLO C[C@@H](C(=O)N(C)CC(N)=O)[NH+]1CCSCC1 ZINC000408026757 397823612 /nfs/dbraw/zinc/82/36/12/397823612.db2.gz GPYDLPAXOIRMJH-QMMMGPOBSA-N 1 2 245.348 -0.633 20 0 BBADLO CNC(=O)C[N@H+]1C[C@H](COC)OC(C)(C)C1 ZINC000408027726 384173456 /nfs/dbraw/zinc/17/34/56/384173456.db2.gz BFZWXWKUSKKRKQ-SECBINFHSA-N 1 2 230.308 -0.142 20 0 BBADLO CNC(=O)C[N@@H+]1C[C@H](COC)OC(C)(C)C1 ZINC000408027726 384173454 /nfs/dbraw/zinc/17/34/54/384173454.db2.gz BFZWXWKUSKKRKQ-SECBINFHSA-N 1 2 230.308 -0.142 20 0 BBADLO CNC(=O)C[N@H+]1C[C@@H](COC)OC(C)(C)C1 ZINC000408027727 384173803 /nfs/dbraw/zinc/17/38/03/384173803.db2.gz BFZWXWKUSKKRKQ-VIFPVBQESA-N 1 2 230.308 -0.142 20 0 BBADLO CNC(=O)C[N@@H+]1C[C@@H](COC)OC(C)(C)C1 ZINC000408027727 384173799 /nfs/dbraw/zinc/17/37/99/384173799.db2.gz BFZWXWKUSKKRKQ-VIFPVBQESA-N 1 2 230.308 -0.142 20 0 BBADLO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C2CC2)C1=O ZINC000408029548 385445993 /nfs/dbraw/zinc/44/59/93/385445993.db2.gz CTUIJYRVHAIXQC-SECBINFHSA-N 1 2 225.292 -0.573 20 0 BBADLO CNC(=O)C[N@H+](C)[C@@H]1CCN(C2CC2)C1=O ZINC000408029548 385445989 /nfs/dbraw/zinc/44/59/89/385445989.db2.gz CTUIJYRVHAIXQC-SECBINFHSA-N 1 2 225.292 -0.573 20 0 BBADLO CNC(=O)C[N@@H+](C)[C@H]1CCN(C2CC2)C1=O ZINC000408029551 385446043 /nfs/dbraw/zinc/44/60/43/385446043.db2.gz CTUIJYRVHAIXQC-VIFPVBQESA-N 1 2 225.292 -0.573 20 0 BBADLO CNC(=O)C[N@H+](C)[C@H]1CCN(C2CC2)C1=O ZINC000408029551 385446036 /nfs/dbraw/zinc/44/60/36/385446036.db2.gz CTUIJYRVHAIXQC-VIFPVBQESA-N 1 2 225.292 -0.573 20 0 BBADLO COC[C@H]1C[N@@H+](CC(N)=O)CC(C)(C)O1 ZINC000408029649 384175764 /nfs/dbraw/zinc/17/57/64/384175764.db2.gz IKNZYXBKEZAYOS-MRVPVSSYSA-N 1 2 216.281 -0.403 20 0 BBADLO COC[C@H]1C[N@H+](CC(N)=O)CC(C)(C)O1 ZINC000408029649 384175761 /nfs/dbraw/zinc/17/57/61/384175761.db2.gz IKNZYXBKEZAYOS-MRVPVSSYSA-N 1 2 216.281 -0.403 20 0 BBADLO COC[C@@H]1C[N@@H+](CC(N)=O)CC(C)(C)O1 ZINC000408029651 384174862 /nfs/dbraw/zinc/17/48/62/384174862.db2.gz IKNZYXBKEZAYOS-QMMMGPOBSA-N 1 2 216.281 -0.403 20 0 BBADLO COC[C@@H]1C[N@H+](CC(N)=O)CC(C)(C)O1 ZINC000408029651 384174860 /nfs/dbraw/zinc/17/48/60/384174860.db2.gz IKNZYXBKEZAYOS-QMMMGPOBSA-N 1 2 216.281 -0.403 20 0 BBADLO CNC(=O)CNC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000408029660 385447014 /nfs/dbraw/zinc/44/70/14/385447014.db2.gz VRZRMMCNOAUATH-MRVPVSSYSA-N 1 2 245.348 -0.714 20 0 BBADLO CNC(=O)CNC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000408029662 384196790 /nfs/dbraw/zinc/19/67/90/384196790.db2.gz VRZRMMCNOAUATH-QMMMGPOBSA-N 1 2 245.348 -0.714 20 0 BBADLO COC[C@@H]1C[N@H+]([C@H](C)C(N)=O)CC(C)(C)O1 ZINC000408030525 385452979 /nfs/dbraw/zinc/45/29/79/385452979.db2.gz LHSSZECTSZAXQC-BDAKNGLRSA-N 1 2 230.308 -0.014 20 0 BBADLO COC[C@@H]1C[N@@H+]([C@H](C)C(N)=O)CC(C)(C)O1 ZINC000408030525 385452976 /nfs/dbraw/zinc/45/29/76/385452976.db2.gz LHSSZECTSZAXQC-BDAKNGLRSA-N 1 2 230.308 -0.014 20 0 BBADLO COC[C@H]1C[N@H+]([C@@H](C)C(N)=O)CC(C)(C)O1 ZINC000408030528 385453585 /nfs/dbraw/zinc/45/35/85/385453585.db2.gz LHSSZECTSZAXQC-DTWKUNHWSA-N 1 2 230.308 -0.014 20 0 BBADLO COC[C@H]1C[N@@H+]([C@@H](C)C(N)=O)CC(C)(C)O1 ZINC000408030528 385453583 /nfs/dbraw/zinc/45/35/83/385453583.db2.gz LHSSZECTSZAXQC-DTWKUNHWSA-N 1 2 230.308 -0.014 20 0 BBADLO COC[C@@H]1C[N@H+]([C@@H](C)C(N)=O)CC(C)(C)O1 ZINC000408030529 385453668 /nfs/dbraw/zinc/45/36/68/385453668.db2.gz LHSSZECTSZAXQC-IUCAKERBSA-N 1 2 230.308 -0.014 20 0 BBADLO COC[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)CC(C)(C)O1 ZINC000408030529 385453663 /nfs/dbraw/zinc/45/36/63/385453663.db2.gz LHSSZECTSZAXQC-IUCAKERBSA-N 1 2 230.308 -0.014 20 0 BBADLO COC[C@H]1C[N@H+]([C@H](C)C(N)=O)CC(C)(C)O1 ZINC000408030531 385453744 /nfs/dbraw/zinc/45/37/44/385453744.db2.gz LHSSZECTSZAXQC-RKDXNWHRSA-N 1 2 230.308 -0.014 20 0 BBADLO COC[C@H]1C[N@@H+]([C@H](C)C(N)=O)CC(C)(C)O1 ZINC000408030531 385453740 /nfs/dbraw/zinc/45/37/40/385453740.db2.gz LHSSZECTSZAXQC-RKDXNWHRSA-N 1 2 230.308 -0.014 20 0 BBADLO CC[N@@H+](CC(=O)N(C)C)[C@@H]1CCNC1=O ZINC000408031059 385480492 /nfs/dbraw/zinc/48/04/92/385480492.db2.gz KKNKWCKMNSPVDH-MRVPVSSYSA-N 1 2 213.281 -0.715 20 0 BBADLO CC[N@H+](CC(=O)N(C)C)[C@@H]1CCNC1=O ZINC000408031059 385480489 /nfs/dbraw/zinc/48/04/89/385480489.db2.gz KKNKWCKMNSPVDH-MRVPVSSYSA-N 1 2 213.281 -0.715 20 0 BBADLO CC[N@@H+](CC(=O)N(C)C)[C@H]1CCNC1=O ZINC000408031063 385481922 /nfs/dbraw/zinc/48/19/22/385481922.db2.gz KKNKWCKMNSPVDH-QMMMGPOBSA-N 1 2 213.281 -0.715 20 0 BBADLO CC[N@H+](CC(=O)N(C)C)[C@H]1CCNC1=O ZINC000408031063 385481919 /nfs/dbraw/zinc/48/19/19/385481919.db2.gz KKNKWCKMNSPVDH-QMMMGPOBSA-N 1 2 213.281 -0.715 20 0 BBADLO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(C)C)C1=O ZINC000408032344 136272719 /nfs/dbraw/zinc/27/27/19/136272719.db2.gz VLSZAETURIXGSW-SECBINFHSA-N 1 2 227.308 -0.327 20 0 BBADLO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(C)C)C1=O ZINC000408032344 136272718 /nfs/dbraw/zinc/27/27/18/136272718.db2.gz VLSZAETURIXGSW-SECBINFHSA-N 1 2 227.308 -0.327 20 0 BBADLO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(C)C)C1=O ZINC000408032345 136272689 /nfs/dbraw/zinc/27/26/89/136272689.db2.gz VLSZAETURIXGSW-VIFPVBQESA-N 1 2 227.308 -0.327 20 0 BBADLO CNC(=O)C[N@H+](C)[C@H]1CCN(C(C)C)C1=O ZINC000408032345 136272688 /nfs/dbraw/zinc/27/26/88/136272688.db2.gz VLSZAETURIXGSW-VIFPVBQESA-N 1 2 227.308 -0.327 20 0 BBADLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@@H+](CCO)C1 ZINC000408034486 384268901 /nfs/dbraw/zinc/26/89/01/384268901.db2.gz FLEOIZHLEFAREE-BDAKNGLRSA-N 1 2 226.280 -0.133 20 0 BBADLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@H+](CCO)C1 ZINC000408034486 384268897 /nfs/dbraw/zinc/26/88/97/384268897.db2.gz FLEOIZHLEFAREE-BDAKNGLRSA-N 1 2 226.280 -0.133 20 0 BBADLO Cc1noc([C@H]2C[N@H+](CCO)CCN2C)n1 ZINC000408034637 385546451 /nfs/dbraw/zinc/54/64/51/385546451.db2.gz HBZKERDWWHMCFB-SECBINFHSA-N 1 2 226.280 -0.341 20 0 BBADLO Cc1noc([C@H]2C[N@@H+](CCO)CCN2C)n1 ZINC000408034637 385546449 /nfs/dbraw/zinc/54/64/49/385546449.db2.gz HBZKERDWWHMCFB-SECBINFHSA-N 1 2 226.280 -0.341 20 0 BBADLO Cc1noc([C@@H]2C[N@H+](CCO)CCN2C)n1 ZINC000408034638 385547208 /nfs/dbraw/zinc/54/72/08/385547208.db2.gz HBZKERDWWHMCFB-VIFPVBQESA-N 1 2 226.280 -0.341 20 0 BBADLO Cc1noc([C@@H]2C[N@@H+](CCO)CCN2C)n1 ZINC000408034638 385547205 /nfs/dbraw/zinc/54/72/05/385547205.db2.gz HBZKERDWWHMCFB-VIFPVBQESA-N 1 2 226.280 -0.341 20 0 BBADLO CCOC(=O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408034803 385550990 /nfs/dbraw/zinc/55/09/90/385550990.db2.gz HLXUADPHWXKMEB-BDAKNGLRSA-N 1 2 241.291 -0.353 20 0 BBADLO CCOC(=O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408034803 385550984 /nfs/dbraw/zinc/55/09/84/385550984.db2.gz HLXUADPHWXKMEB-BDAKNGLRSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@H]1OCCN(Cc2c[nH+]cn2C)[C@@H]1C(N)=O ZINC000408037826 384324831 /nfs/dbraw/zinc/32/48/31/384324831.db2.gz HZCVUVSVKUVMIH-SCZZXKLOSA-N 1 2 238.291 -0.505 20 0 BBADLO C[C@H]1OCCN(Cc2[nH+]ccn2C)[C@@H]1C(N)=O ZINC000408037890 384620233 /nfs/dbraw/zinc/62/02/33/384620233.db2.gz IZRACUBOBCLCJU-SCZZXKLOSA-N 1 2 238.291 -0.505 20 0 BBADLO C[C@H]1OCC[N@@H+](CC[C@@H]2CCOC2)[C@@H]1C(N)=O ZINC000408038397 384621451 /nfs/dbraw/zinc/62/14/51/384621451.db2.gz MCHGGAWRHSHATI-MXWKQRLJSA-N 1 2 242.319 -0.012 20 0 BBADLO C[C@H]1OCC[N@H+](CC[C@@H]2CCOC2)[C@@H]1C(N)=O ZINC000408038397 384621444 /nfs/dbraw/zinc/62/14/44/384621444.db2.gz MCHGGAWRHSHATI-MXWKQRLJSA-N 1 2 242.319 -0.012 20 0 BBADLO C[C@H]1OCC[N@@H+](CC[C@H]2CCOC2)[C@@H]1C(N)=O ZINC000408038398 384173259 /nfs/dbraw/zinc/17/32/59/384173259.db2.gz MCHGGAWRHSHATI-VWYCJHECSA-N 1 2 242.319 -0.012 20 0 BBADLO C[C@H]1OCC[N@H+](CC[C@H]2CCOC2)[C@@H]1C(N)=O ZINC000408038398 384173252 /nfs/dbraw/zinc/17/32/52/384173252.db2.gz MCHGGAWRHSHATI-VWYCJHECSA-N 1 2 242.319 -0.012 20 0 BBADLO CO[C@H]1C[C@@H](C(=O)Nc2n[nH]c(C)n2)[N@@H+](C)C1 ZINC000408039546 384653623 /nfs/dbraw/zinc/65/36/23/384653623.db2.gz YUSDKZLDKSHGIY-YUMQZZPRSA-N 1 2 239.279 -0.229 20 0 BBADLO CO[C@H]1C[C@@H](C(=O)Nc2n[nH]c(C)n2)[N@H+](C)C1 ZINC000408039546 384653618 /nfs/dbraw/zinc/65/36/18/384653618.db2.gz YUSDKZLDKSHGIY-YUMQZZPRSA-N 1 2 239.279 -0.229 20 0 BBADLO CO[C@H]1C[C@@H](C(=O)Nc2nnc(C)[nH]2)[N@@H+](C)C1 ZINC000408039546 384653612 /nfs/dbraw/zinc/65/36/12/384653612.db2.gz YUSDKZLDKSHGIY-YUMQZZPRSA-N 1 2 239.279 -0.229 20 0 BBADLO CO[C@H]1C[C@@H](C(=O)Nc2nnc(C)[nH]2)[N@H+](C)C1 ZINC000408039546 384653608 /nfs/dbraw/zinc/65/36/08/384653608.db2.gz YUSDKZLDKSHGIY-YUMQZZPRSA-N 1 2 239.279 -0.229 20 0 BBADLO O=C(Nc1cc[nH+]cc1O)[C@H]1COCCO1 ZINC000408040203 136273153 /nfs/dbraw/zinc/27/31/53/136273153.db2.gz 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/nfs/dbraw/zinc/83/48/98/397834898.db2.gz NNIMBGYYLFFJGH-HBNTYKKESA-N 1 2 242.319 -0.276 20 0 BBADLO NC(=O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408044396 397834895 /nfs/dbraw/zinc/83/48/95/397834895.db2.gz NNIMBGYYLFFJGH-HBNTYKKESA-N 1 2 242.319 -0.276 20 0 BBADLO NC(=O)C[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408044397 397834773 /nfs/dbraw/zinc/83/47/73/397834773.db2.gz NNIMBGYYLFFJGH-MXWKQRLJSA-N 1 2 242.319 -0.276 20 0 BBADLO NC(=O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408044397 397834770 /nfs/dbraw/zinc/83/47/70/397834770.db2.gz NNIMBGYYLFFJGH-MXWKQRLJSA-N 1 2 242.319 -0.276 20 0 BBADLO C[C@@H](O)CCN(C)C(=O)[C@H]1COCC[N@H+]1C ZINC000408044541 384181229 /nfs/dbraw/zinc/18/12/29/384181229.db2.gz VQWRWWMFVORZCE-NXEZZACHSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@@H](O)CCN(C)C(=O)[C@H]1COCC[N@@H+]1C ZINC000408044541 384181227 /nfs/dbraw/zinc/18/12/27/384181227.db2.gz VQWRWWMFVORZCE-NXEZZACHSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@H](O)CCN(C)C(=O)[C@@H]1COCC[N@H+]1C ZINC000408044542 384750492 /nfs/dbraw/zinc/75/04/92/384750492.db2.gz VQWRWWMFVORZCE-UWVGGRQHSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@H](O)CCN(C)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000408044542 384750490 /nfs/dbraw/zinc/75/04/90/384750490.db2.gz VQWRWWMFVORZCE-UWVGGRQHSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@H](O)CCN(C)C(=O)[C@H]1COCC[N@H+]1C ZINC000408044543 384750092 /nfs/dbraw/zinc/75/00/92/384750092.db2.gz VQWRWWMFVORZCE-VHSXEESVSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@H](O)CCN(C)C(=O)[C@H]1COCC[N@@H+]1C ZINC000408044543 384750087 /nfs/dbraw/zinc/75/00/87/384750087.db2.gz VQWRWWMFVORZCE-VHSXEESVSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@@H](O)CCN(C)C(=O)[C@@H]1COCC[N@H+]1C ZINC000408044544 384751291 /nfs/dbraw/zinc/75/12/91/384751291.db2.gz VQWRWWMFVORZCE-ZJUUUORDSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@@H](O)CCN(C)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000408044544 384751285 /nfs/dbraw/zinc/75/12/85/384751285.db2.gz VQWRWWMFVORZCE-ZJUUUORDSA-N 1 2 230.308 -0.454 20 0 BBADLO CSCC[N@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000408045223 384415732 /nfs/dbraw/zinc/41/57/32/384415732.db2.gz DYOGKPFUGFWDAG-SFYZADRCSA-N 1 2 218.322 -0.076 20 0 BBADLO CSCC[N@@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000408045223 384415727 /nfs/dbraw/zinc/41/57/27/384415727.db2.gz DYOGKPFUGFWDAG-SFYZADRCSA-N 1 2 218.322 -0.076 20 0 BBADLO CO[C@H](C)C[N@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000408045228 384922465 /nfs/dbraw/zinc/92/24/65/384922465.db2.gz DYSCJLJJFMANMG-HLTSFMKQSA-N 1 2 216.281 -0.404 20 0 BBADLO CO[C@H](C)C[N@@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000408045228 384922458 /nfs/dbraw/zinc/92/24/58/384922458.db2.gz DYSCJLJJFMANMG-HLTSFMKQSA-N 1 2 216.281 -0.404 20 0 BBADLO CO[C@@H](C)C[N@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000408045234 384923152 /nfs/dbraw/zinc/92/31/52/384923152.db2.gz DYSCJLJJFMANMG-YIZRAAEISA-N 1 2 216.281 -0.404 20 0 BBADLO CO[C@@H](C)C[N@@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000408045234 384923148 /nfs/dbraw/zinc/92/31/48/384923148.db2.gz DYSCJLJJFMANMG-YIZRAAEISA-N 1 2 216.281 -0.404 20 0 BBADLO Cc1nc(C[N@@H+]2C[C@@H](C)[C@H](C(N)=O)C2)no1 ZINC000408046026 385034763 /nfs/dbraw/zinc/03/47/63/385034763.db2.gz ANBRFIRJXVPNPA-HTRCEHHLSA-N 1 2 224.264 -0.069 20 0 BBADLO Cc1nc(C[N@H+]2C[C@@H](C)[C@H](C(N)=O)C2)no1 ZINC000408046026 385034759 /nfs/dbraw/zinc/03/47/59/385034759.db2.gz ANBRFIRJXVPNPA-HTRCEHHLSA-N 1 2 224.264 -0.069 20 0 BBADLO NC(=O)[C@]1(O)CCC[N@@H+](Cc2ccon2)C1 ZINC000408046377 385068452 /nfs/dbraw/zinc/06/84/52/385068452.db2.gz BVJPWBSUWHOYDH-JTQLQIEISA-N 1 2 225.248 -0.513 20 0 BBADLO NC(=O)[C@]1(O)CCC[N@H+](Cc2ccon2)C1 ZINC000408046377 385068449 /nfs/dbraw/zinc/06/84/49/385068449.db2.gz BVJPWBSUWHOYDH-JTQLQIEISA-N 1 2 225.248 -0.513 20 0 BBADLO NC(=O)[C@@]1(O)CCC[N@@H+](Cc2ccon2)C1 ZINC000408046380 385080096 /nfs/dbraw/zinc/08/00/96/385080096.db2.gz BVJPWBSUWHOYDH-SNVBAGLBSA-N 1 2 225.248 -0.513 20 0 BBADLO NC(=O)[C@@]1(O)CCC[N@H+](Cc2ccon2)C1 ZINC000408046380 385080090 /nfs/dbraw/zinc/08/00/90/385080090.db2.gz BVJPWBSUWHOYDH-SNVBAGLBSA-N 1 2 225.248 -0.513 20 0 BBADLO C[C@H]1OCC[N@@H+](CCC(=O)N(C)C)[C@@H]1C(N)=O ZINC000408047292 385163872 /nfs/dbraw/zinc/16/38/72/385163872.db2.gz PHXHUYOHQPUATK-SCZZXKLOSA-N 1 2 243.307 -0.961 20 0 BBADLO C[C@H]1OCC[N@H+](CCC(=O)N(C)C)[C@@H]1C(N)=O ZINC000408047292 385163869 /nfs/dbraw/zinc/16/38/69/385163869.db2.gz PHXHUYOHQPUATK-SCZZXKLOSA-N 1 2 243.307 -0.961 20 0 BBADLO C[C@H]1OCC[N@@H+](C[C@H]2CCOC2)[C@@H]1C(N)=O ZINC000408047459 385173190 /nfs/dbraw/zinc/17/31/90/385173190.db2.gz QFCHNACTQOHQIX-BBBLOLIVSA-N 1 2 228.292 -0.403 20 0 BBADLO C[C@H]1OCC[N@H+](C[C@H]2CCOC2)[C@@H]1C(N)=O ZINC000408047459 385173185 /nfs/dbraw/zinc/17/31/85/385173185.db2.gz QFCHNACTQOHQIX-BBBLOLIVSA-N 1 2 228.292 -0.403 20 0 BBADLO C[C@H]1OCC[N@@H+](C[C@@H]2CCOC2)[C@@H]1C(N)=O ZINC000408047461 384430112 /nfs/dbraw/zinc/43/01/12/384430112.db2.gz QFCHNACTQOHQIX-UTLUCORTSA-N 1 2 228.292 -0.403 20 0 BBADLO C[C@H]1OCC[N@H+](C[C@@H]2CCOC2)[C@@H]1C(N)=O ZINC000408047461 384430102 /nfs/dbraw/zinc/43/01/02/384430102.db2.gz QFCHNACTQOHQIX-UTLUCORTSA-N 1 2 228.292 -0.403 20 0 BBADLO C[C@H]1OCC[N@@H+](C[C@H]2CCCO2)[C@@H]1C(N)=O ZINC000408047542 385175523 /nfs/dbraw/zinc/17/55/23/385175523.db2.gz RAKYBSLNTTXKRT-BBBLOLIVSA-N 1 2 228.292 -0.260 20 0 BBADLO C[C@H]1OCC[N@H+](C[C@H]2CCCO2)[C@@H]1C(N)=O ZINC000408047542 385175519 /nfs/dbraw/zinc/17/55/19/385175519.db2.gz RAKYBSLNTTXKRT-BBBLOLIVSA-N 1 2 228.292 -0.260 20 0 BBADLO C[C@H]1OCC[N@@H+](C[C@@H]2CCCO2)[C@@H]1C(N)=O ZINC000408047543 385175104 /nfs/dbraw/zinc/17/51/04/385175104.db2.gz RAKYBSLNTTXKRT-UTLUCORTSA-N 1 2 228.292 -0.260 20 0 BBADLO C[C@H]1OCC[N@H+](C[C@@H]2CCCO2)[C@@H]1C(N)=O ZINC000408047543 385175090 /nfs/dbraw/zinc/17/50/90/385175090.db2.gz RAKYBSLNTTXKRT-UTLUCORTSA-N 1 2 228.292 -0.260 20 0 BBADLO C[C@H]1OCC[N@@H+](CCC(C)(C)O)[C@@H]1C(N)=O ZINC000408047751 384181762 /nfs/dbraw/zinc/18/17/62/384181762.db2.gz SFIHKWPEUYZTQG-BDAKNGLRSA-N 1 2 230.308 -0.278 20 0 BBADLO C[C@H]1OCC[N@H+](CCC(C)(C)O)[C@@H]1C(N)=O ZINC000408047751 384181758 /nfs/dbraw/zinc/18/17/58/384181758.db2.gz SFIHKWPEUYZTQG-BDAKNGLRSA-N 1 2 230.308 -0.278 20 0 BBADLO C[C@H]1OCC[N@@H+](CCCF)[C@@H]1C(N)=O ZINC000408047916 385178495 /nfs/dbraw/zinc/17/84/95/385178495.db2.gz UAUDKLLYHKSVPN-SFYZADRCSA-N 1 2 204.245 -0.079 20 0 BBADLO C[C@H]1OCC[N@H+](CCCF)[C@@H]1C(N)=O ZINC000408047916 385178490 /nfs/dbraw/zinc/17/84/90/385178490.db2.gz UAUDKLLYHKSVPN-SFYZADRCSA-N 1 2 204.245 -0.079 20 0 BBADLO C[C@@H]1CCC[N@@H+](Cc2nnnn2C)[C@H]1CO ZINC000408047987 384181455 /nfs/dbraw/zinc/18/14/55/384181455.db2.gz UNQNJDUOKDNWII-BDAKNGLRSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@@H]1CCC[N@H+](Cc2nnnn2C)[C@H]1CO ZINC000408047987 384181452 /nfs/dbraw/zinc/18/14/52/384181452.db2.gz UNQNJDUOKDNWII-BDAKNGLRSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@H]1CCC[N@@H+](Cc2nnnn2C)[C@@H]1CO ZINC000408047989 397840499 /nfs/dbraw/zinc/84/04/99/397840499.db2.gz UNQNJDUOKDNWII-DTWKUNHWSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@H]1CCC[N@H+](Cc2nnnn2C)[C@@H]1CO ZINC000408047989 397840497 /nfs/dbraw/zinc/84/04/97/397840497.db2.gz UNQNJDUOKDNWII-DTWKUNHWSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@H]1CCC[N@@H+](Cc2nnnn2C)[C@H]1CO ZINC000408047991 397839958 /nfs/dbraw/zinc/83/99/58/397839958.db2.gz UNQNJDUOKDNWII-IUCAKERBSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@H]1CCC[N@H+](Cc2nnnn2C)[C@H]1CO ZINC000408047991 397839953 /nfs/dbraw/zinc/83/99/53/397839953.db2.gz UNQNJDUOKDNWII-IUCAKERBSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@@H]1CCC[N@@H+](Cc2nnnn2C)[C@@H]1CO ZINC000408047992 397840340 /nfs/dbraw/zinc/84/03/40/397840340.db2.gz UNQNJDUOKDNWII-RKDXNWHRSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@@H]1CCC[N@H+](Cc2nnnn2C)[C@@H]1CO ZINC000408047992 397840336 /nfs/dbraw/zinc/84/03/36/397840336.db2.gz UNQNJDUOKDNWII-RKDXNWHRSA-N 1 2 225.296 -0.197 20 0 BBADLO CC[N@H+]1CCCN(C(=O)CS(C)(=O)=O)CC1 ZINC000408048768 385179266 /nfs/dbraw/zinc/17/92/66/385179266.db2.gz PPMPWGXVQVAJHG-UHFFFAOYSA-N 1 2 248.348 -0.415 20 0 BBADLO CC[N@@H+]1CCCN(C(=O)CS(C)(=O)=O)CC1 ZINC000408048768 385179261 /nfs/dbraw/zinc/17/92/61/385179261.db2.gz PPMPWGXVQVAJHG-UHFFFAOYSA-N 1 2 248.348 -0.415 20 0 BBADLO Cn1nnnc1C[N@H+]1CCC[C@@](C)(O)C1 ZINC000408052278 385266394 /nfs/dbraw/zinc/26/63/94/385266394.db2.gz ARDGLKSTYJAIOE-SECBINFHSA-N 1 2 211.269 -0.443 20 0 BBADLO Cn1nnnc1C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000408052278 385266384 /nfs/dbraw/zinc/26/63/84/385266384.db2.gz ARDGLKSTYJAIOE-SECBINFHSA-N 1 2 211.269 -0.443 20 0 BBADLO Cn1nnnc1C[N@H+]1CCC[C@](C)(O)C1 ZINC000408052280 385267298 /nfs/dbraw/zinc/26/72/98/385267298.db2.gz ARDGLKSTYJAIOE-VIFPVBQESA-N 1 2 211.269 -0.443 20 0 BBADLO Cn1nnnc1C[N@@H+]1CCC[C@](C)(O)C1 ZINC000408052280 385267293 /nfs/dbraw/zinc/26/72/93/385267293.db2.gz ARDGLKSTYJAIOE-VIFPVBQESA-N 1 2 211.269 -0.443 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](F)C[C@H]2CO)C1 ZINC000408052331 536433764 /nfs/dbraw/zinc/43/37/64/536433764.db2.gz LFAUUSDMOINLCL-LPEHRKFASA-N 1 2 246.282 -0.752 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](F)C[C@H]2CO)C1 ZINC000408052331 536433760 /nfs/dbraw/zinc/43/37/60/536433760.db2.gz LFAUUSDMOINLCL-LPEHRKFASA-N 1 2 246.282 -0.752 20 0 BBADLO CS(=O)(=O)CC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000408054483 385277347 /nfs/dbraw/zinc/27/73/47/385277347.db2.gz MCIKRHGZNDTBDJ-MRVPVSSYSA-N 1 2 246.332 -0.616 20 0 BBADLO CS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000408054483 385277344 /nfs/dbraw/zinc/27/73/44/385277344.db2.gz MCIKRHGZNDTBDJ-MRVPVSSYSA-N 1 2 246.332 -0.616 20 0 BBADLO CS(=O)(=O)CC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000408054484 385277100 /nfs/dbraw/zinc/27/71/00/385277100.db2.gz MCIKRHGZNDTBDJ-QMMMGPOBSA-N 1 2 246.332 -0.616 20 0 BBADLO CS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000408054484 385277098 /nfs/dbraw/zinc/27/70/98/385277098.db2.gz MCIKRHGZNDTBDJ-QMMMGPOBSA-N 1 2 246.332 -0.616 20 0 BBADLO CN(CCCO)C(=O)[C@H]1COCC[N@H+]1C ZINC000408057902 385342044 /nfs/dbraw/zinc/34/20/44/385342044.db2.gz BKYNDCAYWKMNCL-SECBINFHSA-N 1 2 216.281 -0.842 20 0 BBADLO CN(CCCO)C(=O)[C@H]1COCC[N@@H+]1C ZINC000408057902 385342041 /nfs/dbraw/zinc/34/20/41/385342041.db2.gz BKYNDCAYWKMNCL-SECBINFHSA-N 1 2 216.281 -0.842 20 0 BBADLO CN(CCCO)C(=O)[C@@H]1COCC[N@H+]1C ZINC000408057903 385342390 /nfs/dbraw/zinc/34/23/90/385342390.db2.gz BKYNDCAYWKMNCL-VIFPVBQESA-N 1 2 216.281 -0.842 20 0 BBADLO CN(CCCO)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000408057903 385342387 /nfs/dbraw/zinc/34/23/87/385342387.db2.gz BKYNDCAYWKMNCL-VIFPVBQESA-N 1 2 216.281 -0.842 20 0 BBADLO C[C@@H](O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000408058316 133469010 /nfs/dbraw/zinc/46/90/10/133469010.db2.gz AFKRFGCFSGZTGL-NXEZZACHSA-N 1 2 228.292 -0.700 20 0 BBADLO C[C@H](O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000408058317 385347856 /nfs/dbraw/zinc/34/78/56/385347856.db2.gz AFKRFGCFSGZTGL-UWVGGRQHSA-N 1 2 228.292 -0.700 20 0 BBADLO C[C@H](O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000408058318 385348882 /nfs/dbraw/zinc/34/88/82/385348882.db2.gz AFKRFGCFSGZTGL-VHSXEESVSA-N 1 2 228.292 -0.700 20 0 BBADLO C[C@@H](O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000408058319 385347565 /nfs/dbraw/zinc/34/75/65/385347565.db2.gz AFKRFGCFSGZTGL-ZJUUUORDSA-N 1 2 228.292 -0.700 20 0 BBADLO CC(C)(O)C[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000408058933 385367221 /nfs/dbraw/zinc/36/72/21/385367221.db2.gz DZEGLNGNZMONTR-UHFFFAOYSA-N 1 2 212.253 -0.430 20 0 BBADLO CC(C)(O)C[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000408058933 385367216 /nfs/dbraw/zinc/36/72/16/385367216.db2.gz DZEGLNGNZMONTR-UHFFFAOYSA-N 1 2 212.253 -0.430 20 0 BBADLO CC(=O)N[C@H]1CCC[N@H+](Cc2cnnn2C)C1 ZINC000408059618 385385263 /nfs/dbraw/zinc/38/52/63/385385263.db2.gz AEGBZNKBIZXSKD-JTQLQIEISA-N 1 2 237.307 -0.084 20 0 BBADLO CC(=O)N[C@H]1CCC[N@@H+](Cc2cnnn2C)C1 ZINC000408059618 385385260 /nfs/dbraw/zinc/38/52/60/385385260.db2.gz AEGBZNKBIZXSKD-JTQLQIEISA-N 1 2 237.307 -0.084 20 0 BBADLO CC(=O)N[C@@H]1CCC[N@H+](Cc2cnnn2C)C1 ZINC000408059619 385386200 /nfs/dbraw/zinc/38/62/00/385386200.db2.gz AEGBZNKBIZXSKD-SNVBAGLBSA-N 1 2 237.307 -0.084 20 0 BBADLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cnnn2C)C1 ZINC000408059619 385386198 /nfs/dbraw/zinc/38/61/98/385386198.db2.gz AEGBZNKBIZXSKD-SNVBAGLBSA-N 1 2 237.307 -0.084 20 0 BBADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cnnn1C ZINC000408059662 385386173 /nfs/dbraw/zinc/38/61/73/385386173.db2.gz BKZYPISJIGVWGW-JTQLQIEISA-N 1 2 237.307 -0.132 20 0 BBADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cnnn1C ZINC000408059662 385386171 /nfs/dbraw/zinc/38/61/71/385386171.db2.gz BKZYPISJIGVWGW-JTQLQIEISA-N 1 2 237.307 -0.132 20 0 BBADLO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1cnnn1C ZINC000408059663 385386084 /nfs/dbraw/zinc/38/60/84/385386084.db2.gz BKZYPISJIGVWGW-SNVBAGLBSA-N 1 2 237.307 -0.132 20 0 BBADLO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1cnnn1C ZINC000408059663 385386082 /nfs/dbraw/zinc/38/60/82/385386082.db2.gz BKZYPISJIGVWGW-SNVBAGLBSA-N 1 2 237.307 -0.132 20 0 BBADLO O=C(Cn1cc[nH+]c1)N1C[C@@H](F)C[C@H]1CO ZINC000408060268 133469554 /nfs/dbraw/zinc/46/95/54/133469554.db2.gz DARKJBCNEXPFET-IUCAKERBSA-N 1 2 227.239 -0.186 20 0 BBADLO Cn1nnc2cc(C[N@H+]3CCNC(=O)C3)ccc21 ZINC000408061318 384581837 /nfs/dbraw/zinc/58/18/37/384581837.db2.gz JLDNUCRAGCHIJJ-UHFFFAOYSA-N 1 2 245.286 -0.100 20 0 BBADLO Cn1nnc2cc(C[N@@H+]3CCNC(=O)C3)ccc21 ZINC000408061318 384581829 /nfs/dbraw/zinc/58/18/29/384581829.db2.gz JLDNUCRAGCHIJJ-UHFFFAOYSA-N 1 2 245.286 -0.100 20 0 BBADLO Cn1cncc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000408064747 385535154 /nfs/dbraw/zinc/53/51/54/385535154.db2.gz XIHITVVYNLSZTP-SECBINFHSA-N 1 2 208.265 -0.130 20 0 BBADLO Cn1cncc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000408064747 385535150 /nfs/dbraw/zinc/53/51/50/385535150.db2.gz XIHITVVYNLSZTP-SECBINFHSA-N 1 2 208.265 -0.130 20 0 BBADLO Cn1cncc1C[N@H+]1CCC[C@H]1C(N)=O ZINC000408064748 384662447 /nfs/dbraw/zinc/66/24/47/384662447.db2.gz XIHITVVYNLSZTP-VIFPVBQESA-N 1 2 208.265 -0.130 20 0 BBADLO Cn1cncc1C[N@@H+]1CCC[C@H]1C(N)=O ZINC000408064748 384662440 /nfs/dbraw/zinc/66/24/40/384662440.db2.gz XIHITVVYNLSZTP-VIFPVBQESA-N 1 2 208.265 -0.130 20 0 BBADLO CCC[NH+]1CCN(S(=O)(=O)NC)CC1 ZINC000408066668 534930321 /nfs/dbraw/zinc/93/03/21/534930321.db2.gz BASGITYFUIDLDC-UHFFFAOYSA-N 1 2 221.326 -0.522 20 0 BBADLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC000408066975 134385244 /nfs/dbraw/zinc/38/52/44/134385244.db2.gz HVKQOGTVHVBBGD-SECBINFHSA-N 1 2 225.292 -0.571 20 0 BBADLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC000408066975 134385243 /nfs/dbraw/zinc/38/52/43/134385243.db2.gz HVKQOGTVHVBBGD-SECBINFHSA-N 1 2 225.292 -0.571 20 0 BBADLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC000408066976 134384651 /nfs/dbraw/zinc/38/46/51/134384651.db2.gz HVKQOGTVHVBBGD-VIFPVBQESA-N 1 2 225.292 -0.571 20 0 BBADLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC000408066976 134384650 /nfs/dbraw/zinc/38/46/50/134384650.db2.gz HVKQOGTVHVBBGD-VIFPVBQESA-N 1 2 225.292 -0.571 20 0 BBADLO Cc1n[nH]c(C)c1C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000408069143 134384693 /nfs/dbraw/zinc/38/46/93/134384693.db2.gz ANEDLYGEOSSWQY-JTQLQIEISA-N 1 2 238.291 -0.287 20 0 BBADLO Cc1n[nH]c(C)c1C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000408069143 134384691 /nfs/dbraw/zinc/38/46/91/134384691.db2.gz ANEDLYGEOSSWQY-JTQLQIEISA-N 1 2 238.291 -0.287 20 0 BBADLO Cc1n[nH]c(C)c1C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000408069144 134384798 /nfs/dbraw/zinc/38/47/98/134384798.db2.gz ANEDLYGEOSSWQY-SNVBAGLBSA-N 1 2 238.291 -0.287 20 0 BBADLO Cc1n[nH]c(C)c1C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000408069144 134384797 /nfs/dbraw/zinc/38/47/97/134384797.db2.gz ANEDLYGEOSSWQY-SNVBAGLBSA-N 1 2 238.291 -0.287 20 0 BBADLO Cc1n[nH]cc1C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000408070118 134386394 /nfs/dbraw/zinc/38/63/94/134386394.db2.gz FKRJKGABZVVKKA-SECBINFHSA-N 1 2 224.264 -0.596 20 0 BBADLO Cc1n[nH]cc1C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000408070118 134386393 /nfs/dbraw/zinc/38/63/93/134386393.db2.gz FKRJKGABZVVKKA-SECBINFHSA-N 1 2 224.264 -0.596 20 0 BBADLO Cc1n[nH]cc1C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000408070120 134385928 /nfs/dbraw/zinc/38/59/28/134385928.db2.gz FKRJKGABZVVKKA-VIFPVBQESA-N 1 2 224.264 -0.596 20 0 BBADLO Cc1n[nH]cc1C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000408070120 134385926 /nfs/dbraw/zinc/38/59/26/134385926.db2.gz FKRJKGABZVVKKA-VIFPVBQESA-N 1 2 224.264 -0.596 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000408070414 134386412 /nfs/dbraw/zinc/38/64/12/134386412.db2.gz GHDGDTAZDDKVJT-BWZBUEFSSA-N 1 2 203.238 -0.761 20 0 BBADLO COC(=O)[C@@H](C)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000408070414 134386411 /nfs/dbraw/zinc/38/64/11/134386411.db2.gz GHDGDTAZDDKVJT-BWZBUEFSSA-N 1 2 203.238 -0.761 20 0 BBADLO COC(=O)[C@H](C)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000408070416 536625477 /nfs/dbraw/zinc/62/54/77/536625477.db2.gz GHDGDTAZDDKVJT-XLPZGREQSA-N 1 2 203.238 -0.761 20 0 BBADLO COC(=O)[C@H](C)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000408070416 536625469 /nfs/dbraw/zinc/62/54/69/536625469.db2.gz GHDGDTAZDDKVJT-XLPZGREQSA-N 1 2 203.238 -0.761 20 0 BBADLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000408070632 134386350 /nfs/dbraw/zinc/38/63/50/134386350.db2.gz GOYSJLOBWNVNMK-JTQLQIEISA-N 1 2 238.291 -0.585 20 0 BBADLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000408070632 134386349 /nfs/dbraw/zinc/38/63/49/134386349.db2.gz GOYSJLOBWNVNMK-JTQLQIEISA-N 1 2 238.291 -0.585 20 0 BBADLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000408070633 134386232 /nfs/dbraw/zinc/38/62/32/134386232.db2.gz GOYSJLOBWNVNMK-SNVBAGLBSA-N 1 2 238.291 -0.585 20 0 BBADLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000408070633 134386230 /nfs/dbraw/zinc/38/62/30/134386230.db2.gz GOYSJLOBWNVNMK-SNVBAGLBSA-N 1 2 238.291 -0.585 20 0 BBADLO C[N@@H+](CCCS(C)(=O)=O)[C@@H]1COC[C@H]1O ZINC000408070649 134386166 /nfs/dbraw/zinc/38/61/66/134386166.db2.gz GWYLJMRNYHFCBZ-RKDXNWHRSA-N 1 2 237.321 -0.887 20 0 BBADLO C[N@H+](CCCS(C)(=O)=O)[C@@H]1COC[C@H]1O ZINC000408070649 134386164 /nfs/dbraw/zinc/38/61/64/134386164.db2.gz GWYLJMRNYHFCBZ-RKDXNWHRSA-N 1 2 237.321 -0.887 20 0 BBADLO CCN(C)C(=O)C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000408070954 535714798 /nfs/dbraw/zinc/71/47/98/535714798.db2.gz IIVNMITZGIYWJW-RKDXNWHRSA-N 1 2 216.281 -0.844 20 0 BBADLO CCN(C)C(=O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000408070954 535714796 /nfs/dbraw/zinc/71/47/96/535714796.db2.gz IIVNMITZGIYWJW-RKDXNWHRSA-N 1 2 216.281 -0.844 20 0 BBADLO CC(C)N(C)C(=O)C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000408070995 534963943 /nfs/dbraw/zinc/96/39/43/534963943.db2.gz JBAYAVMIRKGEQC-NXEZZACHSA-N 1 2 230.308 -0.455 20 0 BBADLO CC(C)N(C)C(=O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000408070995 534963936 /nfs/dbraw/zinc/96/39/36/534963936.db2.gz JBAYAVMIRKGEQC-NXEZZACHSA-N 1 2 230.308 -0.455 20 0 BBADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cnnn1C ZINC000408075242 136210162 /nfs/dbraw/zinc/21/01/62/136210162.db2.gz YNWSILKKKSJXIW-SECBINFHSA-N 1 2 223.280 -0.475 20 0 BBADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cnnn1C ZINC000408075242 136210161 /nfs/dbraw/zinc/21/01/61/136210161.db2.gz YNWSILKKKSJXIW-SECBINFHSA-N 1 2 223.280 -0.475 20 0 BBADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cnnn1C ZINC000408075243 136210113 /nfs/dbraw/zinc/21/01/13/136210113.db2.gz YNWSILKKKSJXIW-VIFPVBQESA-N 1 2 223.280 -0.475 20 0 BBADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cnnn1C ZINC000408075243 136210112 /nfs/dbraw/zinc/21/01/12/136210112.db2.gz YNWSILKKKSJXIW-VIFPVBQESA-N 1 2 223.280 -0.475 20 0 BBADLO COC(=O)C1(O)CC[NH+](CC(=O)N(C)C)CC1 ZINC000408078213 134388754 /nfs/dbraw/zinc/38/87/54/134388754.db2.gz GMHUQNFMHLDVEW-UHFFFAOYSA-N 1 2 244.291 -0.926 20 0 BBADLO CC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCOC2)CCO1 ZINC000408078455 534478243 /nfs/dbraw/zinc/47/82/43/534478243.db2.gz CAROFKDUIUXPDH-GHMZBOCLSA-N 1 2 228.292 -0.388 20 0 BBADLO CC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCOC2)CCO1 ZINC000408078455 534478238 /nfs/dbraw/zinc/47/82/38/534478238.db2.gz CAROFKDUIUXPDH-GHMZBOCLSA-N 1 2 228.292 -0.388 20 0 BBADLO CC(=O)NC[C@H]1C[N@H+]([C@@H]2CCOC2)CCO1 ZINC000408078456 134388323 /nfs/dbraw/zinc/38/83/23/134388323.db2.gz CAROFKDUIUXPDH-MNOVXSKESA-N 1 2 228.292 -0.388 20 0 BBADLO CC(=O)NC[C@H]1C[N@@H+]([C@@H]2CCOC2)CCO1 ZINC000408078456 134388321 /nfs/dbraw/zinc/38/83/21/134388321.db2.gz CAROFKDUIUXPDH-MNOVXSKESA-N 1 2 228.292 -0.388 20 0 BBADLO CC(=O)NC[C@H]1C[N@H+]([C@H]2CCOC2)CCO1 ZINC000408078457 134388565 /nfs/dbraw/zinc/38/85/65/134388565.db2.gz CAROFKDUIUXPDH-QWRGUYRKSA-N 1 2 228.292 -0.388 20 0 BBADLO CC(=O)NC[C@H]1C[N@@H+]([C@H]2CCOC2)CCO1 ZINC000408078457 134388563 /nfs/dbraw/zinc/38/85/63/134388563.db2.gz CAROFKDUIUXPDH-QWRGUYRKSA-N 1 2 228.292 -0.388 20 0 BBADLO CC(=O)NC[C@@H]1C[N@H+]([C@H]2CCOC2)CCO1 ZINC000408078458 534476699 /nfs/dbraw/zinc/47/66/99/534476699.db2.gz CAROFKDUIUXPDH-WDEREUQCSA-N 1 2 228.292 -0.388 20 0 BBADLO CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCOC2)CCO1 ZINC000408078458 534476688 /nfs/dbraw/zinc/47/66/88/534476688.db2.gz CAROFKDUIUXPDH-WDEREUQCSA-N 1 2 228.292 -0.388 20 0 BBADLO C[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H](C(N)=O)O1 ZINC000408078940 134388287 /nfs/dbraw/zinc/38/82/87/134388287.db2.gz DTADUUAJWXXYLK-PSASIEDQSA-N 1 2 238.291 -0.505 20 0 BBADLO C[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H](C(N)=O)O1 ZINC000408078942 134388326 /nfs/dbraw/zinc/38/83/26/134388326.db2.gz DTADUUAJWXXYLK-SCZZXKLOSA-N 1 2 238.291 -0.505 20 0 BBADLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)NC(N)=O ZINC000408081190 171112346 /nfs/dbraw/zinc/11/23/46/171112346.db2.gz DJOUQEWZRYKSPY-HTQZYQBOSA-N 1 2 229.280 -0.319 20 0 BBADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)NC(N)=O ZINC000408081190 171112344 /nfs/dbraw/zinc/11/23/44/171112344.db2.gz DJOUQEWZRYKSPY-HTQZYQBOSA-N 1 2 229.280 -0.319 20 0 BBADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)NC(N)=O ZINC000408081191 171109359 /nfs/dbraw/zinc/10/93/59/171109359.db2.gz DJOUQEWZRYKSPY-JGVFFNPUSA-N 1 2 229.280 -0.319 20 0 BBADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NC(N)=O ZINC000408081191 171109357 /nfs/dbraw/zinc/10/93/57/171109357.db2.gz DJOUQEWZRYKSPY-JGVFFNPUSA-N 1 2 229.280 -0.319 20 0 BBADLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)NC(N)=O ZINC000408081193 385779207 /nfs/dbraw/zinc/77/92/07/385779207.db2.gz DJOUQEWZRYKSPY-SFYZADRCSA-N 1 2 229.280 -0.319 20 0 BBADLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)NC(N)=O ZINC000408081193 385779203 /nfs/dbraw/zinc/77/92/03/385779203.db2.gz DJOUQEWZRYKSPY-SFYZADRCSA-N 1 2 229.280 -0.319 20 0 BBADLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)NC(N)=O ZINC000408081194 385779576 /nfs/dbraw/zinc/77/95/76/385779576.db2.gz DJOUQEWZRYKSPY-YUMQZZPRSA-N 1 2 229.280 -0.319 20 0 BBADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NC(N)=O ZINC000408081194 385779571 /nfs/dbraw/zinc/77/95/71/385779571.db2.gz DJOUQEWZRYKSPY-YUMQZZPRSA-N 1 2 229.280 -0.319 20 0 BBADLO CN(C)c1cnc(C(=O)N2CC[NH+](C)CC2)cn1 ZINC000408081225 173074327 /nfs/dbraw/zinc/07/43/27/173074327.db2.gz RNRAZOFYYAGREV-UHFFFAOYSA-N 1 2 249.318 -0.070 20 0 BBADLO C[C@H]1C[C@@H](O)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000408082306 134389576 /nfs/dbraw/zinc/38/95/76/134389576.db2.gz WVKGLJZRAOGMIH-DCAQKATOSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@H]1C[C@@H](O)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000408082306 134389574 /nfs/dbraw/zinc/38/95/74/134389574.db2.gz WVKGLJZRAOGMIH-DCAQKATOSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@H]1C[C@@H](O)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000408082308 134389565 /nfs/dbraw/zinc/38/95/65/134389565.db2.gz WVKGLJZRAOGMIH-GARJFASQSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@H]1C[C@@H](O)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000408082308 134389563 /nfs/dbraw/zinc/38/95/63/134389563.db2.gz WVKGLJZRAOGMIH-GARJFASQSA-N 1 2 242.319 -0.311 20 0 BBADLO Cn1ccc(C[N@H+]2CC[C@@H](NC(N)=O)C2)n1 ZINC000408083397 136210367 /nfs/dbraw/zinc/21/03/67/136210367.db2.gz VWJZVSKAVAWTNT-MRVPVSSYSA-N 1 2 223.280 -0.337 20 0 BBADLO Cn1ccc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)n1 ZINC000408083397 136210366 /nfs/dbraw/zinc/21/03/66/136210366.db2.gz VWJZVSKAVAWTNT-MRVPVSSYSA-N 1 2 223.280 -0.337 20 0 BBADLO Cn1ccc(C[N@H+]2CC[C@H](NC(N)=O)C2)n1 ZINC000408083398 136210224 /nfs/dbraw/zinc/21/02/24/136210224.db2.gz VWJZVSKAVAWTNT-QMMMGPOBSA-N 1 2 223.280 -0.337 20 0 BBADLO Cn1ccc(C[N@@H+]2CC[C@H](NC(N)=O)C2)n1 ZINC000408083398 136210223 /nfs/dbraw/zinc/21/02/23/136210223.db2.gz VWJZVSKAVAWTNT-QMMMGPOBSA-N 1 2 223.280 -0.337 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCOC1 ZINC000408083647 136210227 /nfs/dbraw/zinc/21/02/27/136210227.db2.gz XXWAOFDZQLGFFH-GHMZBOCLSA-N 1 2 242.319 -0.140 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCOC1 ZINC000408083647 136210226 /nfs/dbraw/zinc/21/02/26/136210226.db2.gz XXWAOFDZQLGFFH-GHMZBOCLSA-N 1 2 242.319 -0.140 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCOC1 ZINC000408083649 136210382 /nfs/dbraw/zinc/21/03/82/136210382.db2.gz XXWAOFDZQLGFFH-MNOVXSKESA-N 1 2 242.319 -0.140 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCOC1 ZINC000408083649 136210381 /nfs/dbraw/zinc/21/03/81/136210381.db2.gz XXWAOFDZQLGFFH-MNOVXSKESA-N 1 2 242.319 -0.140 20 0 BBADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCOC1 ZINC000408083651 136210279 /nfs/dbraw/zinc/21/02/79/136210279.db2.gz XXWAOFDZQLGFFH-QWRGUYRKSA-N 1 2 242.319 -0.140 20 0 BBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCOC1 ZINC000408083651 136210278 /nfs/dbraw/zinc/21/02/78/136210278.db2.gz XXWAOFDZQLGFFH-QWRGUYRKSA-N 1 2 242.319 -0.140 20 0 BBADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCOC1 ZINC000408083653 136210305 /nfs/dbraw/zinc/21/03/05/136210305.db2.gz XXWAOFDZQLGFFH-WDEREUQCSA-N 1 2 242.319 -0.140 20 0 BBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCOC1 ZINC000408083653 136210304 /nfs/dbraw/zinc/21/03/04/136210304.db2.gz XXWAOFDZQLGFFH-WDEREUQCSA-N 1 2 242.319 -0.140 20 0 BBADLO C[C@@H]1CC[N@@H+](Cc2nnnn2C)C[C@H]1O ZINC000408088901 134389774 /nfs/dbraw/zinc/38/97/74/134389774.db2.gz HPFQGMQFEATCQI-HTQZYQBOSA-N 1 2 211.269 -0.587 20 0 BBADLO C[C@@H]1CC[N@H+](Cc2nnnn2C)C[C@H]1O ZINC000408088901 134389772 /nfs/dbraw/zinc/38/97/72/134389772.db2.gz HPFQGMQFEATCQI-HTQZYQBOSA-N 1 2 211.269 -0.587 20 0 BBADLO C[C@H]1CC[N@@H+](Cc2nnnn2C)C[C@H]1O ZINC000408088902 134390290 /nfs/dbraw/zinc/39/02/90/134390290.db2.gz HPFQGMQFEATCQI-JGVFFNPUSA-N 1 2 211.269 -0.587 20 0 BBADLO C[C@H]1CC[N@H+](Cc2nnnn2C)C[C@H]1O ZINC000408088902 134390289 /nfs/dbraw/zinc/39/02/89/134390289.db2.gz HPFQGMQFEATCQI-JGVFFNPUSA-N 1 2 211.269 -0.587 20 0 BBADLO C[C@@H]1CC[N@@H+](Cc2nnnn2C)C[C@@H]1O ZINC000408088904 134390322 /nfs/dbraw/zinc/39/03/22/134390322.db2.gz HPFQGMQFEATCQI-SFYZADRCSA-N 1 2 211.269 -0.587 20 0 BBADLO C[C@@H]1CC[N@H+](Cc2nnnn2C)C[C@@H]1O ZINC000408088904 134390319 /nfs/dbraw/zinc/39/03/19/134390319.db2.gz HPFQGMQFEATCQI-SFYZADRCSA-N 1 2 211.269 -0.587 20 0 BBADLO C[C@H]1CC[N@@H+](Cc2nnnn2C)C[C@@H]1O ZINC000408088905 134389822 /nfs/dbraw/zinc/38/98/22/134389822.db2.gz HPFQGMQFEATCQI-YUMQZZPRSA-N 1 2 211.269 -0.587 20 0 BBADLO C[C@H]1CC[N@H+](Cc2nnnn2C)C[C@@H]1O ZINC000408088905 134389821 /nfs/dbraw/zinc/38/98/21/134389821.db2.gz HPFQGMQFEATCQI-YUMQZZPRSA-N 1 2 211.269 -0.587 20 0 BBADLO O=C(N1CC[NH+](CCO)CC1)C1(O)CCCC1 ZINC000408094578 136210450 /nfs/dbraw/zinc/21/04/50/136210450.db2.gz SUYPAUIGRMHPDW-UHFFFAOYSA-N 1 2 242.319 -0.572 20 0 BBADLO Cn1cc[nH+]c1CN1CCSC[C@@H]1C(N)=O ZINC000408097014 385412210 /nfs/dbraw/zinc/41/22/10/385412210.db2.gz IPFLSUKYMGYCLF-MRVPVSSYSA-N 1 2 240.332 -0.177 20 0 BBADLO Cn1cc[nH+]c1CN1CCSC[C@H]1C(N)=O ZINC000408097015 385412951 /nfs/dbraw/zinc/41/29/51/385412951.db2.gz IPFLSUKYMGYCLF-QMMMGPOBSA-N 1 2 240.332 -0.177 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000408098212 171243902 /nfs/dbraw/zinc/24/39/02/171243902.db2.gz BZAOBTBVENAZJM-HTQZYQBOSA-N 1 2 249.336 -0.997 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000408098212 171243900 /nfs/dbraw/zinc/24/39/00/171243900.db2.gz BZAOBTBVENAZJM-HTQZYQBOSA-N 1 2 249.336 -0.997 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000408098213 171245154 /nfs/dbraw/zinc/24/51/54/171245154.db2.gz BZAOBTBVENAZJM-JGVFFNPUSA-N 1 2 249.336 -0.997 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000408098213 171245152 /nfs/dbraw/zinc/24/51/52/171245152.db2.gz BZAOBTBVENAZJM-JGVFFNPUSA-N 1 2 249.336 -0.997 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000408098214 385419332 /nfs/dbraw/zinc/41/93/32/385419332.db2.gz BZAOBTBVENAZJM-SFYZADRCSA-N 1 2 249.336 -0.997 20 0 BBADLO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000408098214 385419330 /nfs/dbraw/zinc/41/93/30/385419330.db2.gz BZAOBTBVENAZJM-SFYZADRCSA-N 1 2 249.336 -0.997 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000408098215 385419401 /nfs/dbraw/zinc/41/94/01/385419401.db2.gz BZAOBTBVENAZJM-YUMQZZPRSA-N 1 2 249.336 -0.997 20 0 BBADLO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000408098215 385419398 /nfs/dbraw/zinc/41/93/98/385419398.db2.gz BZAOBTBVENAZJM-YUMQZZPRSA-N 1 2 249.336 -0.997 20 0 BBADLO CCC[N@@H+](C)CC(=O)N1CCS(=O)(=O)CC1 ZINC000408098873 343714024 /nfs/dbraw/zinc/71/40/24/343714024.db2.gz HXILTANXQVQEQN-UHFFFAOYSA-N 1 2 248.348 -0.415 20 0 BBADLO CCC[N@H+](C)CC(=O)N1CCS(=O)(=O)CC1 ZINC000408098873 343714022 /nfs/dbraw/zinc/71/40/22/343714022.db2.gz HXILTANXQVQEQN-UHFFFAOYSA-N 1 2 248.348 -0.415 20 0 BBADLO Cn1c[nH+]cc1CN1CCSC[C@@H]1C(N)=O ZINC000408099137 385419167 /nfs/dbraw/zinc/41/91/67/385419167.db2.gz XWFGBHMCPTZONG-SECBINFHSA-N 1 2 240.332 -0.177 20 0 BBADLO Cn1c[nH+]cc1CN1CCSC[C@H]1C(N)=O ZINC000408099140 385419589 /nfs/dbraw/zinc/41/95/89/385419589.db2.gz XWFGBHMCPTZONG-VIFPVBQESA-N 1 2 240.332 -0.177 20 0 BBADLO Cc1nnc(CN2CC[NH+](CCO)CC2)s1 ZINC000408099388 343715284 /nfs/dbraw/zinc/71/52/84/343715284.db2.gz ZFEVPUXSNPXJDY-UHFFFAOYSA-N 1 2 242.348 -0.044 20 0 BBADLO CCN(C)C(=O)C[N@H+]1CCC[C@@H]1C(N)=O ZINC000408099654 343715830 /nfs/dbraw/zinc/71/58/30/343715830.db2.gz XOHDERKFTZNRRL-MRVPVSSYSA-N 1 2 213.281 -0.586 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000408099654 343715829 /nfs/dbraw/zinc/71/58/29/343715829.db2.gz XOHDERKFTZNRRL-MRVPVSSYSA-N 1 2 213.281 -0.586 20 0 BBADLO CCN(C)C(=O)C[N@H+]1CCC[C@H]1C(N)=O ZINC000408099655 344042419 /nfs/dbraw/zinc/04/24/19/344042419.db2.gz XOHDERKFTZNRRL-QMMMGPOBSA-N 1 2 213.281 -0.586 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000408099655 344042418 /nfs/dbraw/zinc/04/24/18/344042418.db2.gz XOHDERKFTZNRRL-QMMMGPOBSA-N 1 2 213.281 -0.586 20 0 BBADLO C[N@@H+](C[C@@H](O)C(F)(F)F)[C@H]1CCNC1=O ZINC000408100185 536418147 /nfs/dbraw/zinc/41/81/47/536418147.db2.gz QVSAUIKNRMEQQN-NTSWFWBYSA-N 1 2 226.198 -0.270 20 0 BBADLO C[N@H+](C[C@@H](O)C(F)(F)F)[C@H]1CCNC1=O ZINC000408100185 536418144 /nfs/dbraw/zinc/41/81/44/536418144.db2.gz QVSAUIKNRMEQQN-NTSWFWBYSA-N 1 2 226.198 -0.270 20 0 BBADLO C[N@@H+](C[C@@H](O)C(F)(F)F)[C@@H]1CCNC1=O ZINC000408100186 536417639 /nfs/dbraw/zinc/41/76/39/536417639.db2.gz QVSAUIKNRMEQQN-PHDIDXHHSA-N 1 2 226.198 -0.270 20 0 BBADLO C[N@H+](C[C@@H](O)C(F)(F)F)[C@@H]1CCNC1=O ZINC000408100186 536417636 /nfs/dbraw/zinc/41/76/36/536417636.db2.gz QVSAUIKNRMEQQN-PHDIDXHHSA-N 1 2 226.198 -0.270 20 0 BBADLO C[N@@H+](C[C@H](O)C(F)(F)F)[C@@H]1CCNC1=O ZINC000408100187 136210651 /nfs/dbraw/zinc/21/06/51/136210651.db2.gz QVSAUIKNRMEQQN-RITPCOANSA-N 1 2 226.198 -0.270 20 0 BBADLO C[N@H+](C[C@H](O)C(F)(F)F)[C@@H]1CCNC1=O ZINC000408100187 136210650 /nfs/dbraw/zinc/21/06/50/136210650.db2.gz QVSAUIKNRMEQQN-RITPCOANSA-N 1 2 226.198 -0.270 20 0 BBADLO C[N@@H+](C[C@H](O)C(F)(F)F)[C@H]1CCNC1=O ZINC000408100188 136210523 /nfs/dbraw/zinc/21/05/23/136210523.db2.gz QVSAUIKNRMEQQN-WDSKDSINSA-N 1 2 226.198 -0.270 20 0 BBADLO C[N@H+](C[C@H](O)C(F)(F)F)[C@H]1CCNC1=O ZINC000408100188 136210522 /nfs/dbraw/zinc/21/05/22/136210522.db2.gz QVSAUIKNRMEQQN-WDSKDSINSA-N 1 2 226.198 -0.270 20 0 BBADLO CCN(C)C(=O)C[N@H+]1CCNC(=O)[C@H]1C(C)C ZINC000408105336 535718343 /nfs/dbraw/zinc/71/83/43/535718343.db2.gz HHZJADJVEXEUMM-LLVKDONJSA-N 1 2 241.335 -0.079 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000408105336 535718337 /nfs/dbraw/zinc/71/83/37/535718337.db2.gz HHZJADJVEXEUMM-LLVKDONJSA-N 1 2 241.335 -0.079 20 0 BBADLO CCN(C)C(=O)C[N@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000408105337 535717795 /nfs/dbraw/zinc/71/77/95/535717795.db2.gz HHZJADJVEXEUMM-NSHDSACASA-N 1 2 241.335 -0.079 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000408105337 535717792 /nfs/dbraw/zinc/71/77/92/535717792.db2.gz HHZJADJVEXEUMM-NSHDSACASA-N 1 2 241.335 -0.079 20 0 BBADLO Cn1nnnc1C[N@H+]1CCCC[C@@H]1CCO ZINC000408117822 136210728 /nfs/dbraw/zinc/21/07/28/136210728.db2.gz IMUXXKQWUUJFJD-SECBINFHSA-N 1 2 225.296 -0.053 20 0 BBADLO Cn1nnnc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000408117822 136210727 /nfs/dbraw/zinc/21/07/27/136210727.db2.gz IMUXXKQWUUJFJD-SECBINFHSA-N 1 2 225.296 -0.053 20 0 BBADLO Cn1nnnc1C[N@H+]1CCCC[C@H]1CCO ZINC000408117823 136210823 /nfs/dbraw/zinc/21/08/23/136210823.db2.gz IMUXXKQWUUJFJD-VIFPVBQESA-N 1 2 225.296 -0.053 20 0 BBADLO Cn1nnnc1C[N@@H+]1CCCC[C@H]1CCO ZINC000408117823 136210822 /nfs/dbraw/zinc/21/08/22/136210822.db2.gz IMUXXKQWUUJFJD-VIFPVBQESA-N 1 2 225.296 -0.053 20 0 BBADLO NC(=O)C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000408120827 136210861 /nfs/dbraw/zinc/21/08/61/136210861.db2.gz IZDPDVJALVHOOX-CAHLUQPWSA-N 1 2 226.198 -0.141 20 0 BBADLO NC(=O)C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000408120827 136210860 /nfs/dbraw/zinc/21/08/60/136210860.db2.gz IZDPDVJALVHOOX-CAHLUQPWSA-N 1 2 226.198 -0.141 20 0 BBADLO NC(=O)C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000408120828 136210883 /nfs/dbraw/zinc/21/08/83/136210883.db2.gz IZDPDVJALVHOOX-IYSWYEEDSA-N 1 2 226.198 -0.141 20 0 BBADLO NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000408120828 136210882 /nfs/dbraw/zinc/21/08/82/136210882.db2.gz IZDPDVJALVHOOX-IYSWYEEDSA-N 1 2 226.198 -0.141 20 0 BBADLO Cc1cc(N2CCO[C@@H](C(N)=O)C2)nc[nH+]1 ZINC000408123011 134397395 /nfs/dbraw/zinc/39/73/95/134397395.db2.gz CQXRJAYIXRZHOV-MRVPVSSYSA-N 1 2 222.248 -0.524 20 0 BBADLO Cc1cc(N2CCO[C@H](C(N)=O)C2)nc[nH+]1 ZINC000408123013 134397841 /nfs/dbraw/zinc/39/78/41/134397841.db2.gz CQXRJAYIXRZHOV-QMMMGPOBSA-N 1 2 222.248 -0.524 20 0 BBADLO C[C@H]1NC(=O)N(CC[NH+]2CCOCC2)C1=O ZINC000408125055 134397947 /nfs/dbraw/zinc/39/79/47/134397947.db2.gz VIJMNZMIVJSOEL-MRVPVSSYSA-N 1 2 227.264 -0.741 20 0 BBADLO C[C@@H]1NC(=O)N(CC[NH+]2CCOCC2)C1=O ZINC000408125056 134397438 /nfs/dbraw/zinc/39/74/38/134397438.db2.gz VIJMNZMIVJSOEL-QMMMGPOBSA-N 1 2 227.264 -0.741 20 0 BBADLO C[C@@H](O)C1CC[NH+](Cc2nnnn2C)CC1 ZINC000408127539 397928203 /nfs/dbraw/zinc/92/82/03/397928203.db2.gz FIZUVUBRKRBVCW-MRVPVSSYSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@H](O)C1CC[NH+](Cc2nnnn2C)CC1 ZINC000408127541 397927870 /nfs/dbraw/zinc/92/78/70/397927870.db2.gz FIZUVUBRKRBVCW-QMMMGPOBSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@@H]1NC(=O)N(CC[N@H+]2CCO[C@H](C)C2)C1=O ZINC000408127972 385557069 /nfs/dbraw/zinc/55/70/69/385557069.db2.gz IISVLGGGSBFZBJ-BDAKNGLRSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@@H]1NC(=O)N(CC[N@@H+]2CCO[C@H](C)C2)C1=O ZINC000408127972 385557066 /nfs/dbraw/zinc/55/70/66/385557066.db2.gz IISVLGGGSBFZBJ-BDAKNGLRSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@H]1NC(=O)N(CC[N@H+]2CCO[C@@H](C)C2)C1=O ZINC000408127973 385558070 /nfs/dbraw/zinc/55/80/70/385558070.db2.gz IISVLGGGSBFZBJ-DTWKUNHWSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@H]1NC(=O)N(CC[N@@H+]2CCO[C@@H](C)C2)C1=O ZINC000408127973 385558067 /nfs/dbraw/zinc/55/80/67/385558067.db2.gz IISVLGGGSBFZBJ-DTWKUNHWSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@@H]1NC(=O)N(CC[N@H+]2CCO[C@@H](C)C2)C1=O ZINC000408127974 385557455 /nfs/dbraw/zinc/55/74/55/385557455.db2.gz IISVLGGGSBFZBJ-IUCAKERBSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@@H]1NC(=O)N(CC[N@@H+]2CCO[C@@H](C)C2)C1=O ZINC000408127974 385557453 /nfs/dbraw/zinc/55/74/53/385557453.db2.gz IISVLGGGSBFZBJ-IUCAKERBSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@H]1NC(=O)N(CC[N@H+]2CCO[C@H](C)C2)C1=O ZINC000408127975 385557808 /nfs/dbraw/zinc/55/78/08/385557808.db2.gz IISVLGGGSBFZBJ-RKDXNWHRSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@H]1NC(=O)N(CC[N@@H+]2CCO[C@H](C)C2)C1=O ZINC000408127975 385557804 /nfs/dbraw/zinc/55/78/04/385557804.db2.gz IISVLGGGSBFZBJ-RKDXNWHRSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@@H]1NC(=O)N(CC[N@H+]2CCOC[C@H]2C)C1=O ZINC000408128277 385557281 /nfs/dbraw/zinc/55/72/81/385557281.db2.gz MPJPESYXJGEEPL-BDAKNGLRSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@@H]1NC(=O)N(CC[N@@H+]2CCOC[C@H]2C)C1=O ZINC000408128277 385557278 /nfs/dbraw/zinc/55/72/78/385557278.db2.gz MPJPESYXJGEEPL-BDAKNGLRSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@H]1NC(=O)N(CC[N@H+]2CCOC[C@@H]2C)C1=O ZINC000408128279 385557474 /nfs/dbraw/zinc/55/74/74/385557474.db2.gz MPJPESYXJGEEPL-DTWKUNHWSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@H]1NC(=O)N(CC[N@@H+]2CCOC[C@@H]2C)C1=O ZINC000408128279 385557471 /nfs/dbraw/zinc/55/74/71/385557471.db2.gz MPJPESYXJGEEPL-DTWKUNHWSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@@H]1NC(=O)N(CC[N@H+]2CCOC[C@@H]2C)C1=O ZINC000408128281 385557625 /nfs/dbraw/zinc/55/76/25/385557625.db2.gz MPJPESYXJGEEPL-IUCAKERBSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@@H]1NC(=O)N(CC[N@@H+]2CCOC[C@@H]2C)C1=O ZINC000408128281 385557620 /nfs/dbraw/zinc/55/76/20/385557620.db2.gz MPJPESYXJGEEPL-IUCAKERBSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@H]1NC(=O)N(CC[N@H+]2CCOC[C@H]2C)C1=O ZINC000408128283 385557157 /nfs/dbraw/zinc/55/71/57/385557157.db2.gz MPJPESYXJGEEPL-RKDXNWHRSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@H]1NC(=O)N(CC[N@@H+]2CCOC[C@H]2C)C1=O ZINC000408128283 385557154 /nfs/dbraw/zinc/55/71/54/385557154.db2.gz MPJPESYXJGEEPL-RKDXNWHRSA-N 1 2 241.291 -0.353 20 0 BBADLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000408131725 344156851 /nfs/dbraw/zinc/15/68/51/344156851.db2.gz HXFJIRPELNEGFS-MRVPVSSYSA-N 1 2 223.280 -0.222 20 0 BBADLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000408131725 344156848 /nfs/dbraw/zinc/15/68/48/344156848.db2.gz HXFJIRPELNEGFS-MRVPVSSYSA-N 1 2 223.280 -0.222 20 0 BBADLO Cc1nnc([C@@H]2CCC[N@@H+](CC(N)=O)C2)[nH]1 ZINC000408131725 344156846 /nfs/dbraw/zinc/15/68/46/344156846.db2.gz HXFJIRPELNEGFS-MRVPVSSYSA-N 1 2 223.280 -0.222 20 0 BBADLO Cc1nnc([C@@H]2CCC[N@H+](CC(N)=O)C2)[nH]1 ZINC000408131725 344156843 /nfs/dbraw/zinc/15/68/43/344156843.db2.gz HXFJIRPELNEGFS-MRVPVSSYSA-N 1 2 223.280 -0.222 20 0 BBADLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000408131726 344156914 /nfs/dbraw/zinc/15/69/14/344156914.db2.gz HXFJIRPELNEGFS-QMMMGPOBSA-N 1 2 223.280 -0.222 20 0 BBADLO Cc1n[nH]c([C@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000408131726 344156911 /nfs/dbraw/zinc/15/69/11/344156911.db2.gz HXFJIRPELNEGFS-QMMMGPOBSA-N 1 2 223.280 -0.222 20 0 BBADLO Cc1nnc([C@H]2CCC[N@@H+](CC(N)=O)C2)[nH]1 ZINC000408131726 344156910 /nfs/dbraw/zinc/15/69/10/344156910.db2.gz HXFJIRPELNEGFS-QMMMGPOBSA-N 1 2 223.280 -0.222 20 0 BBADLO Cc1nnc([C@H]2CCC[N@H+](CC(N)=O)C2)[nH]1 ZINC000408131726 344156907 /nfs/dbraw/zinc/15/69/07/344156907.db2.gz HXFJIRPELNEGFS-QMMMGPOBSA-N 1 2 223.280 -0.222 20 0 BBADLO CC(C)[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)CCO1 ZINC000408137737 385560247 /nfs/dbraw/zinc/56/02/47/385560247.db2.gz HRCAXDCCBBXZNU-BDAKNGLRSA-N 1 2 243.307 -0.073 20 0 BBADLO CC(C)[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)CCO1 ZINC000408137737 385560243 /nfs/dbraw/zinc/56/02/43/385560243.db2.gz HRCAXDCCBBXZNU-BDAKNGLRSA-N 1 2 243.307 -0.073 20 0 BBADLO CC(C)[C@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)CCO1 ZINC000408137738 385560584 /nfs/dbraw/zinc/56/05/84/385560584.db2.gz HRCAXDCCBBXZNU-DTWKUNHWSA-N 1 2 243.307 -0.073 20 0 BBADLO CC(C)[C@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)CCO1 ZINC000408137738 385560579 /nfs/dbraw/zinc/56/05/79/385560579.db2.gz HRCAXDCCBBXZNU-DTWKUNHWSA-N 1 2 243.307 -0.073 20 0 BBADLO CC(C)[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)CCO1 ZINC000408137739 385559986 /nfs/dbraw/zinc/55/99/86/385559986.db2.gz HRCAXDCCBBXZNU-IUCAKERBSA-N 1 2 243.307 -0.073 20 0 BBADLO CC(C)[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)CCO1 ZINC000408137739 385559983 /nfs/dbraw/zinc/55/99/83/385559983.db2.gz HRCAXDCCBBXZNU-IUCAKERBSA-N 1 2 243.307 -0.073 20 0 BBADLO CC(C)[C@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)CCO1 ZINC000408137740 385560049 /nfs/dbraw/zinc/56/00/49/385560049.db2.gz HRCAXDCCBBXZNU-RKDXNWHRSA-N 1 2 243.307 -0.073 20 0 BBADLO CC(C)[C@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)CCO1 ZINC000408137740 385560047 /nfs/dbraw/zinc/56/00/47/385560047.db2.gz HRCAXDCCBBXZNU-RKDXNWHRSA-N 1 2 243.307 -0.073 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)NC(C)(C)CO)C1 ZINC000408139494 397934013 /nfs/dbraw/zinc/93/40/13/397934013.db2.gz NXOOKSAIFMVRJL-MRVPVSSYSA-N 1 2 216.281 -0.796 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)NC(C)(C)CO)C1 ZINC000408139494 397934008 /nfs/dbraw/zinc/93/40/08/397934008.db2.gz NXOOKSAIFMVRJL-MRVPVSSYSA-N 1 2 216.281 -0.796 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)NC(C)(C)CO)C1 ZINC000408139495 397934000 /nfs/dbraw/zinc/93/40/00/397934000.db2.gz NXOOKSAIFMVRJL-QMMMGPOBSA-N 1 2 216.281 -0.796 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)NC(C)(C)CO)C1 ZINC000408139495 397933996 /nfs/dbraw/zinc/93/39/96/397933996.db2.gz NXOOKSAIFMVRJL-QMMMGPOBSA-N 1 2 216.281 -0.796 20 0 BBADLO CC(C)[C@H]1C[N@@H+](CC(=O)NC(N)=O)CCO1 ZINC000408139698 397934074 /nfs/dbraw/zinc/93/40/74/397934074.db2.gz PDRFGSIZZYJFDK-MRVPVSSYSA-N 1 2 229.280 -0.462 20 0 BBADLO CC(C)[C@H]1C[N@H+](CC(=O)NC(N)=O)CCO1 ZINC000408139698 397934071 /nfs/dbraw/zinc/93/40/71/397934071.db2.gz PDRFGSIZZYJFDK-MRVPVSSYSA-N 1 2 229.280 -0.462 20 0 BBADLO CC(C)[C@@H]1C[N@@H+](CC(=O)NC(N)=O)CCO1 ZINC000408139700 397933832 /nfs/dbraw/zinc/93/38/32/397933832.db2.gz PDRFGSIZZYJFDK-QMMMGPOBSA-N 1 2 229.280 -0.462 20 0 BBADLO CC(C)[C@@H]1C[N@H+](CC(=O)NC(N)=O)CCO1 ZINC000408139700 397933829 /nfs/dbraw/zinc/93/38/29/397933829.db2.gz PDRFGSIZZYJFDK-QMMMGPOBSA-N 1 2 229.280 -0.462 20 0 BBADLO CNC(=O)NC(=O)C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000408140357 397933205 /nfs/dbraw/zinc/93/32/05/397933205.db2.gz RNEFPCNOURRYGZ-SECBINFHSA-N 1 2 243.307 -0.201 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000408140357 397933201 /nfs/dbraw/zinc/93/32/01/397933201.db2.gz RNEFPCNOURRYGZ-SECBINFHSA-N 1 2 243.307 -0.201 20 0 BBADLO CNC(=O)NC(=O)C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000408140358 397933929 /nfs/dbraw/zinc/93/39/29/397933929.db2.gz RNEFPCNOURRYGZ-VIFPVBQESA-N 1 2 243.307 -0.201 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000408140358 397933926 /nfs/dbraw/zinc/93/39/26/397933926.db2.gz RNEFPCNOURRYGZ-VIFPVBQESA-N 1 2 243.307 -0.201 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)NC(C)(C)CCO)C1 ZINC000408141050 173099666 /nfs/dbraw/zinc/09/96/66/173099666.db2.gz UWXYBSUWZJLCAR-SECBINFHSA-N 1 2 230.308 -0.406 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)NC(C)(C)CCO)C1 ZINC000408141050 173099665 /nfs/dbraw/zinc/09/96/65/173099665.db2.gz UWXYBSUWZJLCAR-SECBINFHSA-N 1 2 230.308 -0.406 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)NC(C)(C)CCO)C1 ZINC000408141051 173107769 /nfs/dbraw/zinc/10/77/69/173107769.db2.gz UWXYBSUWZJLCAR-VIFPVBQESA-N 1 2 230.308 -0.406 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)NC(C)(C)CCO)C1 ZINC000408141051 173107768 /nfs/dbraw/zinc/10/77/68/173107768.db2.gz UWXYBSUWZJLCAR-VIFPVBQESA-N 1 2 230.308 -0.406 20 0 BBADLO CN(C)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000408144988 172379064 /nfs/dbraw/zinc/37/90/64/172379064.db2.gz FDTBDILTDABSJB-UHFFFAOYSA-N 1 2 228.296 -0.921 20 0 BBADLO CN(C)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000408144988 172379063 /nfs/dbraw/zinc/37/90/63/172379063.db2.gz FDTBDILTDABSJB-UHFFFAOYSA-N 1 2 228.296 -0.921 20 0 BBADLO CC(C)NS(=O)(=O)N1CCn2cc[nH+]c2C1 ZINC000408145209 344159773 /nfs/dbraw/zinc/15/97/73/344159773.db2.gz GJUHSGIFZKORTF-UHFFFAOYSA-N 1 2 244.320 -0.059 20 0 BBADLO Cc1cc(N2CC[C@@H](S(N)(=O)=O)C2)nc[nH+]1 ZINC000408147707 134407139 /nfs/dbraw/zinc/40/71/39/134407139.db2.gz HVTOSWWJEFLGNK-MRVPVSSYSA-N 1 2 242.304 -0.348 20 0 BBADLO Cc1cc(N2CC[C@H](S(N)(=O)=O)C2)nc[nH+]1 ZINC000408147708 385564705 /nfs/dbraw/zinc/56/47/05/385564705.db2.gz HVTOSWWJEFLGNK-QMMMGPOBSA-N 1 2 242.304 -0.348 20 0 BBADLO Cn1[nH]c(C[N@@H+]2CCCC[C@@H]2CCO)nc1=O ZINC000408148951 384379384 /nfs/dbraw/zinc/37/93/84/384379384.db2.gz ISORRRMTKYAXPN-SECBINFHSA-N 1 2 240.307 -0.155 20 0 BBADLO Cn1[nH]c(C[N@H+]2CCCC[C@H]2CCO)nc1=O ZINC000408148952 487802564 /nfs/dbraw/zinc/80/25/64/487802564.db2.gz ISORRRMTKYAXPN-VIFPVBQESA-N 1 2 240.307 -0.155 20 0 BBADLO Cn1[nH]c(C[N@@H+]2CCCC[C@H]2CCO)nc1=O ZINC000408148952 487802562 /nfs/dbraw/zinc/80/25/62/487802562.db2.gz ISORRRMTKYAXPN-VIFPVBQESA-N 1 2 240.307 -0.155 20 0 BBADLO C[C@H](CS(C)(=O)=O)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000408153001 384741777 /nfs/dbraw/zinc/74/17/77/384741777.db2.gz HLLSZVYSSWDOJX-BDAKNGLRSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@H](CS(C)(=O)=O)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000408153001 384741770 /nfs/dbraw/zinc/74/17/70/384741770.db2.gz HLLSZVYSSWDOJX-BDAKNGLRSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@@H](CS(C)(=O)=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC000408153002 384741061 /nfs/dbraw/zinc/74/10/61/384741061.db2.gz HLLSZVYSSWDOJX-DTWKUNHWSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@@H](CS(C)(=O)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000408153002 384741053 /nfs/dbraw/zinc/74/10/53/384741053.db2.gz HLLSZVYSSWDOJX-DTWKUNHWSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@@H](CS(C)(=O)=O)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000408153003 384742686 /nfs/dbraw/zinc/74/26/86/384742686.db2.gz HLLSZVYSSWDOJX-IUCAKERBSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@@H](CS(C)(=O)=O)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000408153003 384742676 /nfs/dbraw/zinc/74/26/76/384742676.db2.gz HLLSZVYSSWDOJX-IUCAKERBSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@H](CS(C)(=O)=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC000408153004 384742630 /nfs/dbraw/zinc/74/26/30/384742630.db2.gz HLLSZVYSSWDOJX-RKDXNWHRSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@H](CS(C)(=O)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000408153004 384742624 /nfs/dbraw/zinc/74/26/24/384742624.db2.gz HLLSZVYSSWDOJX-RKDXNWHRSA-N 1 2 248.348 -0.370 20 0 BBADLO Cn1nnnc1C[NH+]1CCC(CO)CC1 ZINC000408156932 397951713 /nfs/dbraw/zinc/95/17/13/397951713.db2.gz FAMZVZLHZPIJTE-UHFFFAOYSA-N 1 2 211.269 -0.586 20 0 BBADLO COC1CC[NH+](Cc2nnnn2C)CC1 ZINC000408156957 397951612 /nfs/dbraw/zinc/95/16/12/397951612.db2.gz FJFLDNZNDPJWBU-UHFFFAOYSA-N 1 2 211.269 -0.179 20 0 BBADLO CS(=O)(=O)CC(=O)N1CC[NH+]2CCC1CC2 ZINC000408158786 385576133 /nfs/dbraw/zinc/57/61/33/385576133.db2.gz DCBFAAXVGFGHKV-UHFFFAOYSA-N 1 2 246.332 -0.662 20 0 BBADLO Cn1nnnc1CN1CCn2cc[nH+]c2C1 ZINC000408162283 385580760 /nfs/dbraw/zinc/58/07/60/385580760.db2.gz VHGZHELUMPKVMY-UHFFFAOYSA-N 1 2 219.252 -0.578 20 0 BBADLO COC1(C(=O)N2CC[NH+](CCO)CC2)CCC1 ZINC000408170400 384095680 /nfs/dbraw/zinc/09/56/80/384095680.db2.gz DEGUFUSOXUCRRX-UHFFFAOYSA-N 1 2 242.319 -0.308 20 0 BBADLO CNC(=O)[C@@H]1CN(Cc2c[nH+]cn2C)CCO1 ZINC000408171526 385604854 /nfs/dbraw/zinc/60/48/54/385604854.db2.gz KLVDGJCQDXPDIF-JTQLQIEISA-N 1 2 238.291 -0.633 20 0 BBADLO CNC(=O)[C@H]1CN(Cc2c[nH+]cn2C)CCO1 ZINC000408171527 385603124 /nfs/dbraw/zinc/60/31/24/385603124.db2.gz KLVDGJCQDXPDIF-SNVBAGLBSA-N 1 2 238.291 -0.633 20 0 BBADLO CNC(=O)[C@@H]1C[N@@H+](Cc2c[nH]nc2C)CCO1 ZINC000408172242 385604455 /nfs/dbraw/zinc/60/44/55/385604455.db2.gz UIEAKEFCTURCTE-JTQLQIEISA-N 1 2 238.291 -0.335 20 0 BBADLO CNC(=O)[C@@H]1C[N@H+](Cc2c[nH]nc2C)CCO1 ZINC000408172242 385604452 /nfs/dbraw/zinc/60/44/52/385604452.db2.gz UIEAKEFCTURCTE-JTQLQIEISA-N 1 2 238.291 -0.335 20 0 BBADLO CNC(=O)[C@H]1C[N@@H+](Cc2c[nH]nc2C)CCO1 ZINC000408172243 385603912 /nfs/dbraw/zinc/60/39/12/385603912.db2.gz UIEAKEFCTURCTE-SNVBAGLBSA-N 1 2 238.291 -0.335 20 0 BBADLO CNC(=O)[C@H]1C[N@H+](Cc2c[nH]nc2C)CCO1 ZINC000408172243 385603902 /nfs/dbraw/zinc/60/39/02/385603902.db2.gz UIEAKEFCTURCTE-SNVBAGLBSA-N 1 2 238.291 -0.335 20 0 BBADLO CC[C@](C)(CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000408173404 385604114 /nfs/dbraw/zinc/60/41/14/385604114.db2.gz KMQCRACNLVRRIG-GXSJLCMTSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@](C)(CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000408173404 385604104 /nfs/dbraw/zinc/60/41/04/385604104.db2.gz KMQCRACNLVRRIG-GXSJLCMTSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@@](C)(CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000408173405 385602849 /nfs/dbraw/zinc/60/28/49/385602849.db2.gz KMQCRACNLVRRIG-KOLCDFICSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@@](C)(CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000408173405 385602840 /nfs/dbraw/zinc/60/28/40/385602840.db2.gz KMQCRACNLVRRIG-KOLCDFICSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@](C)(CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000408173406 385602930 /nfs/dbraw/zinc/60/29/30/385602930.db2.gz KMQCRACNLVRRIG-MWLCHTKSSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@](C)(CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000408173406 385602925 /nfs/dbraw/zinc/60/29/25/385602925.db2.gz KMQCRACNLVRRIG-MWLCHTKSSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@@](C)(CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000408173407 385603152 /nfs/dbraw/zinc/60/31/52/385603152.db2.gz KMQCRACNLVRRIG-ONGXEEELSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@@](C)(CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000408173407 385603147 /nfs/dbraw/zinc/60/31/47/385603147.db2.gz KMQCRACNLVRRIG-ONGXEEELSA-N 1 2 230.308 -0.406 20 0 BBADLO Cc1noc(C[N@H+](C)[C@]2(CO)CCOC2)n1 ZINC000408173683 385607000 /nfs/dbraw/zinc/60/70/00/385607000.db2.gz MQFBFUIFTGYXMA-JTQLQIEISA-N 1 2 227.264 -0.039 20 0 BBADLO Cc1noc(C[N@@H+](C)[C@]2(CO)CCOC2)n1 ZINC000408173683 385606995 /nfs/dbraw/zinc/60/69/95/385606995.db2.gz MQFBFUIFTGYXMA-JTQLQIEISA-N 1 2 227.264 -0.039 20 0 BBADLO Cc1noc(C[N@H+](C)[C@@]2(CO)CCOC2)n1 ZINC000408173685 384162992 /nfs/dbraw/zinc/16/29/92/384162992.db2.gz MQFBFUIFTGYXMA-SNVBAGLBSA-N 1 2 227.264 -0.039 20 0 BBADLO Cc1noc(C[N@@H+](C)[C@@]2(CO)CCOC2)n1 ZINC000408173685 384162988 /nfs/dbraw/zinc/16/29/88/384162988.db2.gz MQFBFUIFTGYXMA-SNVBAGLBSA-N 1 2 227.264 -0.039 20 0 BBADLO C[C@@H](O)C(C)(C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000408175239 384181783 /nfs/dbraw/zinc/18/17/83/384181783.db2.gz YHKVPWBOQPFJOP-BDAKNGLRSA-N 1 2 230.308 -0.407 20 0 BBADLO C[C@@H](O)C(C)(C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000408175239 384181780 /nfs/dbraw/zinc/18/17/80/384181780.db2.gz YHKVPWBOQPFJOP-BDAKNGLRSA-N 1 2 230.308 -0.407 20 0 BBADLO C[C@H](O)C(C)(C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000408175240 385610778 /nfs/dbraw/zinc/61/07/78/385610778.db2.gz YHKVPWBOQPFJOP-DTWKUNHWSA-N 1 2 230.308 -0.407 20 0 BBADLO C[C@H](O)C(C)(C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000408175240 385610769 /nfs/dbraw/zinc/61/07/69/385610769.db2.gz YHKVPWBOQPFJOP-DTWKUNHWSA-N 1 2 230.308 -0.407 20 0 BBADLO C[C@H](O)C(C)(C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000408175241 385609729 /nfs/dbraw/zinc/60/97/29/385609729.db2.gz YHKVPWBOQPFJOP-IUCAKERBSA-N 1 2 230.308 -0.407 20 0 BBADLO C[C@H](O)C(C)(C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000408175241 385609724 /nfs/dbraw/zinc/60/97/24/385609724.db2.gz YHKVPWBOQPFJOP-IUCAKERBSA-N 1 2 230.308 -0.407 20 0 BBADLO C[C@@H](O)C(C)(C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000408175242 385609964 /nfs/dbraw/zinc/60/99/64/385609964.db2.gz YHKVPWBOQPFJOP-RKDXNWHRSA-N 1 2 230.308 -0.407 20 0 BBADLO C[C@@H](O)C(C)(C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000408175242 385609963 /nfs/dbraw/zinc/60/99/63/385609963.db2.gz YHKVPWBOQPFJOP-RKDXNWHRSA-N 1 2 230.308 -0.407 20 0 BBADLO O=C(C[N@@H+]1CCSC[C@H]1CO)NC1CC1 ZINC000408181140 566353825 /nfs/dbraw/zinc/35/38/25/566353825.db2.gz BDLWBLFXCYSRSA-SECBINFHSA-N 1 2 230.333 -0.325 20 0 BBADLO O=C(C[N@H+]1CCSC[C@H]1CO)NC1CC1 ZINC000408181140 566353817 /nfs/dbraw/zinc/35/38/17/566353817.db2.gz BDLWBLFXCYSRSA-SECBINFHSA-N 1 2 230.333 -0.325 20 0 BBADLO O=C(C[N@@H+]1CCSC[C@@H]1CO)NC1CC1 ZINC000408181141 566354175 /nfs/dbraw/zinc/35/41/75/566354175.db2.gz BDLWBLFXCYSRSA-VIFPVBQESA-N 1 2 230.333 -0.325 20 0 BBADLO O=C(C[N@H+]1CCSC[C@@H]1CO)NC1CC1 ZINC000408181141 566354172 /nfs/dbraw/zinc/35/41/72/566354172.db2.gz BDLWBLFXCYSRSA-VIFPVBQESA-N 1 2 230.333 -0.325 20 0 BBADLO COC(=O)[C@](C)(O)C[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000408182642 384419596 /nfs/dbraw/zinc/41/95/96/384419596.db2.gz MJLCWYCKMBEERP-DOZZXWOPSA-N 1 2 249.332 -0.637 20 0 BBADLO COC(=O)[C@](C)(O)C[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000408182642 384419589 /nfs/dbraw/zinc/41/95/89/384419589.db2.gz MJLCWYCKMBEERP-DOZZXWOPSA-N 1 2 249.332 -0.637 20 0 BBADLO COC(=O)[C@](C)(O)C[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000408182643 384418449 /nfs/dbraw/zinc/41/84/49/384418449.db2.gz MJLCWYCKMBEERP-FUXNSRLFSA-N 1 2 249.332 -0.637 20 0 BBADLO COC(=O)[C@](C)(O)C[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000408182643 384418442 /nfs/dbraw/zinc/41/84/42/384418442.db2.gz MJLCWYCKMBEERP-FUXNSRLFSA-N 1 2 249.332 -0.637 20 0 BBADLO COC(=O)[C@](C)(O)C[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000408182644 385630375 /nfs/dbraw/zinc/63/03/75/385630375.db2.gz MJLCWYCKMBEERP-GXEAXYKVSA-N 1 2 249.332 -0.637 20 0 BBADLO COC(=O)[C@](C)(O)C[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000408182644 385630372 /nfs/dbraw/zinc/63/03/72/385630372.db2.gz MJLCWYCKMBEERP-GXEAXYKVSA-N 1 2 249.332 -0.637 20 0 BBADLO COC(=O)[C@](C)(O)C[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000408182645 385630448 /nfs/dbraw/zinc/63/04/48/385630448.db2.gz MJLCWYCKMBEERP-XDBGJTNISA-N 1 2 249.332 -0.637 20 0 BBADLO COC(=O)[C@](C)(O)C[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000408182645 385630443 /nfs/dbraw/zinc/63/04/43/385630443.db2.gz MJLCWYCKMBEERP-XDBGJTNISA-N 1 2 249.332 -0.637 20 0 BBADLO CC(C)NC(=O)C[N@H+]1CCSC[C@H]1CO ZINC000408183080 397989936 /nfs/dbraw/zinc/98/99/36/397989936.db2.gz OCIAZPGMSMYUHY-SECBINFHSA-N 1 2 232.349 -0.079 20 0 BBADLO CC(C)NC(=O)C[N@@H+]1CCSC[C@H]1CO ZINC000408183080 397989933 /nfs/dbraw/zinc/98/99/33/397989933.db2.gz OCIAZPGMSMYUHY-SECBINFHSA-N 1 2 232.349 -0.079 20 0 BBADLO CC(C)NC(=O)C[N@H+]1CCSC[C@@H]1CO ZINC000408183081 397989959 /nfs/dbraw/zinc/98/99/59/397989959.db2.gz OCIAZPGMSMYUHY-VIFPVBQESA-N 1 2 232.349 -0.079 20 0 BBADLO CC(C)NC(=O)C[N@@H+]1CCSC[C@@H]1CO ZINC000408183081 397989957 /nfs/dbraw/zinc/98/99/57/397989957.db2.gz OCIAZPGMSMYUHY-VIFPVBQESA-N 1 2 232.349 -0.079 20 0 BBADLO CCNC(=O)C[N@H+]1CCSC[C@H]1CO ZINC000408184704 385637173 /nfs/dbraw/zinc/63/71/73/385637173.db2.gz ZFWQEXKFKLBFKD-MRVPVSSYSA-N 1 2 218.322 -0.468 20 0 BBADLO CCNC(=O)C[N@@H+]1CCSC[C@H]1CO ZINC000408184704 385637169 /nfs/dbraw/zinc/63/71/69/385637169.db2.gz ZFWQEXKFKLBFKD-MRVPVSSYSA-N 1 2 218.322 -0.468 20 0 BBADLO CCNC(=O)C[N@H+]1CCSC[C@@H]1CO ZINC000408184705 385638000 /nfs/dbraw/zinc/63/80/00/385638000.db2.gz ZFWQEXKFKLBFKD-QMMMGPOBSA-N 1 2 218.322 -0.468 20 0 BBADLO CCNC(=O)C[N@@H+]1CCSC[C@@H]1CO ZINC000408184705 385637998 /nfs/dbraw/zinc/63/79/98/385637998.db2.gz ZFWQEXKFKLBFKD-QMMMGPOBSA-N 1 2 218.322 -0.468 20 0 BBADLO C[C@H](C[S@@](C)=O)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000408189610 385656834 /nfs/dbraw/zinc/65/68/34/385656834.db2.gz PHQIWIKKVZTWOT-ABFUHYCJSA-N 1 2 248.348 -0.800 20 0 BBADLO C[C@H](C[S@@](C)=O)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000408189610 385656832 /nfs/dbraw/zinc/65/68/32/385656832.db2.gz PHQIWIKKVZTWOT-ABFUHYCJSA-N 1 2 248.348 -0.800 20 0 BBADLO C[C@H](C[S@](C)=O)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000408189611 385656140 /nfs/dbraw/zinc/65/61/40/385656140.db2.gz PHQIWIKKVZTWOT-GLSBUQGYSA-N 1 2 248.348 -0.800 20 0 BBADLO C[C@H](C[S@](C)=O)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000408189611 385656133 /nfs/dbraw/zinc/65/61/33/385656133.db2.gz PHQIWIKKVZTWOT-GLSBUQGYSA-N 1 2 248.348 -0.800 20 0 BBADLO C[C@H](C[S@](C)=O)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000408189612 385656123 /nfs/dbraw/zinc/65/61/23/385656123.db2.gz PHQIWIKKVZTWOT-LGZSNQIQSA-N 1 2 248.348 -0.800 20 0 BBADLO C[C@H](C[S@](C)=O)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000408189612 385656117 /nfs/dbraw/zinc/65/61/17/385656117.db2.gz PHQIWIKKVZTWOT-LGZSNQIQSA-N 1 2 248.348 -0.800 20 0 BBADLO C[C@H](C[S@@](C)=O)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000408189613 385656092 /nfs/dbraw/zinc/65/60/92/385656092.db2.gz PHQIWIKKVZTWOT-YNEJBJPTSA-N 1 2 248.348 -0.800 20 0 BBADLO C[C@H](C[S@@](C)=O)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000408189613 385656087 /nfs/dbraw/zinc/65/60/87/385656087.db2.gz PHQIWIKKVZTWOT-YNEJBJPTSA-N 1 2 248.348 -0.800 20 0 BBADLO Cc1nc(N(C)C)nc(N2CC(CO)C2)[nH+]1 ZINC000408191450 385663375 /nfs/dbraw/zinc/66/33/75/385663375.db2.gz HSNSDXGHKRVKTI-UHFFFAOYSA-N 1 2 223.280 -0.325 20 0 BBADLO Cc1nc(N2CC(CO)C2)nc(N(C)C)[nH+]1 ZINC000408191450 385663373 /nfs/dbraw/zinc/66/33/73/385663373.db2.gz HSNSDXGHKRVKTI-UHFFFAOYSA-N 1 2 223.280 -0.325 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C1(O)CCC1 ZINC000408192844 410089131 /nfs/dbraw/zinc/08/91/31/410089131.db2.gz ACEWBTDKEQKMJL-JTQLQIEISA-N 1 2 242.319 -0.262 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C1(O)CCC1 ZINC000408192845 385674520 /nfs/dbraw/zinc/67/45/20/385674520.db2.gz ACEWBTDKEQKMJL-SNVBAGLBSA-N 1 2 242.319 -0.262 20 0 BBADLO CO[C@@H]1CCC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC000408195054 384567822 /nfs/dbraw/zinc/56/78/22/384567822.db2.gz KITWUQZPIIHXGS-MRVPVSSYSA-N 1 2 226.280 -0.281 20 0 BBADLO CO[C@@H]1CCC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC000408195054 384567814 /nfs/dbraw/zinc/56/78/14/384567814.db2.gz KITWUQZPIIHXGS-MRVPVSSYSA-N 1 2 226.280 -0.281 20 0 BBADLO CO[C@H]1CCC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC000408195056 385590625 /nfs/dbraw/zinc/59/06/25/385590625.db2.gz KITWUQZPIIHXGS-QMMMGPOBSA-N 1 2 226.280 -0.281 20 0 BBADLO CO[C@H]1CCC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC000408195056 385590619 /nfs/dbraw/zinc/59/06/19/385590619.db2.gz KITWUQZPIIHXGS-QMMMGPOBSA-N 1 2 226.280 -0.281 20 0 BBADLO O=C(NCC[NH+]1CCOCC1)C1(O)CCC1 ZINC000408195062 385590472 /nfs/dbraw/zinc/59/04/72/385590472.db2.gz KJKXXKURRDEPFM-UHFFFAOYSA-N 1 2 228.292 -0.650 20 0 BBADLO C[C@@H](CNC(=O)C1(O)CCC1)[NH+]1CCOCC1 ZINC000408195613 398023552 /nfs/dbraw/zinc/02/35/52/398023552.db2.gz RQJVNOZRIGBFMG-JTQLQIEISA-N 1 2 242.319 -0.262 20 0 BBADLO C[C@H](CNC(=O)C1(O)CCC1)[NH+]1CCOCC1 ZINC000408195614 398023010 /nfs/dbraw/zinc/02/30/10/398023010.db2.gz RQJVNOZRIGBFMG-SNVBAGLBSA-N 1 2 242.319 -0.262 20 0 BBADLO C[N@H+]1CCc2ncnc(N3CC(CO)C3)c2C1 ZINC000408196353 385602682 /nfs/dbraw/zinc/60/26/82/385602682.db2.gz BOBJHCRLTLKZKV-UHFFFAOYSA-N 1 2 234.303 -0.107 20 0 BBADLO C[N@@H+]1CCc2ncnc(N3CC(CO)C3)c2C1 ZINC000408196353 385602678 /nfs/dbraw/zinc/60/26/78/385602678.db2.gz BOBJHCRLTLKZKV-UHFFFAOYSA-N 1 2 234.303 -0.107 20 0 BBADLO CC(=O)[C@](C)(O)C[N@H+]1CCO[C@@H](CO)C1 ZINC000408196733 398030069 /nfs/dbraw/zinc/03/00/69/398030069.db2.gz FFQXSXFCAGUPSD-NXEZZACHSA-N 1 2 217.265 -0.981 20 0 BBADLO CC(=O)[C@](C)(O)C[N@@H+]1CCO[C@@H](CO)C1 ZINC000408196733 398030066 /nfs/dbraw/zinc/03/00/66/398030066.db2.gz FFQXSXFCAGUPSD-NXEZZACHSA-N 1 2 217.265 -0.981 20 0 BBADLO CC(=O)[C@@](C)(O)C[N@H+]1CCO[C@H](CO)C1 ZINC000408196734 398030009 /nfs/dbraw/zinc/03/00/09/398030009.db2.gz FFQXSXFCAGUPSD-UWVGGRQHSA-N 1 2 217.265 -0.981 20 0 BBADLO CC(=O)[C@@](C)(O)C[N@@H+]1CCO[C@H](CO)C1 ZINC000408196734 398030005 /nfs/dbraw/zinc/03/00/05/398030005.db2.gz FFQXSXFCAGUPSD-UWVGGRQHSA-N 1 2 217.265 -0.981 20 0 BBADLO CC(=O)[C@](C)(O)C[N@H+]1CCO[C@H](CO)C1 ZINC000408196735 398029998 /nfs/dbraw/zinc/02/99/98/398029998.db2.gz FFQXSXFCAGUPSD-VHSXEESVSA-N 1 2 217.265 -0.981 20 0 BBADLO CC(=O)[C@](C)(O)C[N@@H+]1CCO[C@H](CO)C1 ZINC000408196735 398029995 /nfs/dbraw/zinc/02/99/95/398029995.db2.gz FFQXSXFCAGUPSD-VHSXEESVSA-N 1 2 217.265 -0.981 20 0 BBADLO CC(=O)[C@@](C)(O)C[N@H+]1CCO[C@@H](CO)C1 ZINC000408196736 398030176 /nfs/dbraw/zinc/03/01/76/398030176.db2.gz FFQXSXFCAGUPSD-ZJUUUORDSA-N 1 2 217.265 -0.981 20 0 BBADLO CC(=O)[C@@](C)(O)C[N@@H+]1CCO[C@@H](CO)C1 ZINC000408196736 398030175 /nfs/dbraw/zinc/03/01/75/398030175.db2.gz FFQXSXFCAGUPSD-ZJUUUORDSA-N 1 2 217.265 -0.981 20 0 BBADLO CC(=O)N1CC[NH+](C[C@@](C)(O)C(C)=O)CC1 ZINC000408197660 385607765 /nfs/dbraw/zinc/60/77/65/385607765.db2.gz JHEGBSFKKODGOF-LLVKDONJSA-N 1 2 228.292 -0.510 20 0 BBADLO CC(=O)N1CC[NH+](C[C@](C)(O)C(C)=O)CC1 ZINC000408197662 384591229 /nfs/dbraw/zinc/59/12/29/384591229.db2.gz JHEGBSFKKODGOF-NSHDSACASA-N 1 2 228.292 -0.510 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)NC(C)(C)CC(N)=O)C1 ZINC000408203585 385639916 /nfs/dbraw/zinc/63/99/16/385639916.db2.gz DGEGCOWVBMYPIF-MRVPVSSYSA-N 1 2 243.307 -0.913 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)NC(C)(C)CC(N)=O)C1 ZINC000408203585 385639910 /nfs/dbraw/zinc/63/99/10/385639910.db2.gz DGEGCOWVBMYPIF-MRVPVSSYSA-N 1 2 243.307 -0.913 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)NC(C)(C)CC(N)=O)C1 ZINC000408203586 385639666 /nfs/dbraw/zinc/63/96/66/385639666.db2.gz DGEGCOWVBMYPIF-QMMMGPOBSA-N 1 2 243.307 -0.913 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)NC(C)(C)CC(N)=O)C1 ZINC000408203586 385639662 /nfs/dbraw/zinc/63/96/62/385639662.db2.gz DGEGCOWVBMYPIF-QMMMGPOBSA-N 1 2 243.307 -0.913 20 0 BBADLO COCCS(=O)(=O)N1CCn2cc[nH+]c2C1 ZINC000408205371 344246369 /nfs/dbraw/zinc/24/63/69/344246369.db2.gz XODZQNLCEWMIAQ-UHFFFAOYSA-N 1 2 245.304 -0.325 20 0 BBADLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)no2)C1 ZINC000408209656 385674814 /nfs/dbraw/zinc/67/48/14/385674814.db2.gz VGDPBFKJDPTYET-MRVPVSSYSA-N 1 2 239.279 -0.119 20 0 BBADLO CNC(=O)N[C@@H]1CC[N@H+](Cc2nc(C)no2)C1 ZINC000408209656 385674808 /nfs/dbraw/zinc/67/48/08/385674808.db2.gz VGDPBFKJDPTYET-MRVPVSSYSA-N 1 2 239.279 -0.119 20 0 BBADLO CNC(=O)N[C@H]1CC[N@@H+](Cc2nc(C)no2)C1 ZINC000408209657 385675067 /nfs/dbraw/zinc/67/50/67/385675067.db2.gz VGDPBFKJDPTYET-QMMMGPOBSA-N 1 2 239.279 -0.119 20 0 BBADLO CNC(=O)N[C@H]1CC[N@H+](Cc2nc(C)no2)C1 ZINC000408209657 385675061 /nfs/dbraw/zinc/67/50/61/385675061.db2.gz VGDPBFKJDPTYET-QMMMGPOBSA-N 1 2 239.279 -0.119 20 0 BBADLO Cn1nnnc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000408214138 344249827 /nfs/dbraw/zinc/24/98/27/344249827.db2.gz LSLDJYSFICCGQW-MRVPVSSYSA-N 1 2 211.269 -0.586 20 0 BBADLO Cn1nnnc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000408214138 344249826 /nfs/dbraw/zinc/24/98/26/344249826.db2.gz LSLDJYSFICCGQW-MRVPVSSYSA-N 1 2 211.269 -0.586 20 0 BBADLO Cn1nnnc1C[N@H+]1CCC[C@H](CO)C1 ZINC000408214139 344249786 /nfs/dbraw/zinc/24/97/86/344249786.db2.gz LSLDJYSFICCGQW-QMMMGPOBSA-N 1 2 211.269 -0.586 20 0 BBADLO Cn1nnnc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000408214139 344249785 /nfs/dbraw/zinc/24/97/85/344249785.db2.gz LSLDJYSFICCGQW-QMMMGPOBSA-N 1 2 211.269 -0.586 20 0 BBADLO C[C@H](C(=O)N(C)C1CC(O)C1)[NH+]1CCOCC1 ZINC000408216631 344252508 /nfs/dbraw/zinc/25/25/08/344252508.db2.gz CTCXQXIRIWNRKK-KPPDAEKUSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H](C(=O)N(C)C1CC(O)C1)[NH+]1CCOCC1 ZINC000408216634 344252771 /nfs/dbraw/zinc/25/27/71/344252771.db2.gz CTCXQXIRIWNRKK-WHXUTIOJSA-N 1 2 242.319 -0.311 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)C1CC(O)C1 ZINC000408217156 344252987 /nfs/dbraw/zinc/25/29/87/344252987.db2.gz DWALYYVOZVTUGI-ILDUYXDCSA-N 1 2 242.319 -0.311 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)C1CC(O)C1 ZINC000408217156 344252984 /nfs/dbraw/zinc/25/29/84/344252984.db2.gz DWALYYVOZVTUGI-ILDUYXDCSA-N 1 2 242.319 -0.311 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)C1CC(O)C1 ZINC000408217158 344253016 /nfs/dbraw/zinc/25/30/16/344253016.db2.gz DWALYYVOZVTUGI-VQXHTEKXSA-N 1 2 242.319 -0.311 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)C1CC(O)C1 ZINC000408217158 344253014 /nfs/dbraw/zinc/25/30/14/344253014.db2.gz DWALYYVOZVTUGI-VQXHTEKXSA-N 1 2 242.319 -0.311 20 0 BBADLO Cc1[nH]c(C(=O)NC2(CO)CCOCC2)c[nH+]1 ZINC000408220882 344682864 /nfs/dbraw/zinc/68/28/64/344682864.db2.gz AMTZKICTYBWKAW-UHFFFAOYSA-N 1 2 239.275 -0.011 20 0 BBADLO CC1(S(=O)(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000408223118 344262137 /nfs/dbraw/zinc/26/21/37/344262137.db2.gz CUSWDEZCBZRLLJ-UHFFFAOYSA-N 1 2 248.348 -0.521 20 0 BBADLO Cn1nnnc1C[NH+]1CCC(C)(CO)CC1 ZINC000408225964 411301122 /nfs/dbraw/zinc/30/11/22/411301122.db2.gz YJIUJWUKHLZXEM-UHFFFAOYSA-N 1 2 225.296 -0.196 20 0 BBADLO C[N@H+]1CCO[C@@H]2CN(C(=O)CC(C)(C)O)C[C@@H]21 ZINC000408226842 136212506 /nfs/dbraw/zinc/21/25/06/136212506.db2.gz SYHQOKGGMGLGFV-VHSXEESVSA-N 1 2 242.319 -0.311 20 0 BBADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CC(C)(C)O)C[C@@H]21 ZINC000408226842 136212505 /nfs/dbraw/zinc/21/25/05/136212505.db2.gz SYHQOKGGMGLGFV-VHSXEESVSA-N 1 2 242.319 -0.311 20 0 BBADLO Cc1nc(N2CC[C@@H](S(N)(=O)=O)C2)cc[nH+]1 ZINC000408239911 344861229 /nfs/dbraw/zinc/86/12/29/344861229.db2.gz GRDCVHNOSYHVTI-MRVPVSSYSA-N 1 2 242.304 -0.348 20 0 BBADLO Cc1nc(N2CC[C@H](S(N)(=O)=O)C2)cc[nH+]1 ZINC000408239912 344860983 /nfs/dbraw/zinc/86/09/83/344860983.db2.gz GRDCVHNOSYHVTI-QMMMGPOBSA-N 1 2 242.304 -0.348 20 0 BBADLO Cc1nc(N2CCO[C@@H](C(N)=O)C2)cc[nH+]1 ZINC000408241312 180194962 /nfs/dbraw/zinc/19/49/62/180194962.db2.gz VMNOLTRRBHDCBY-MRVPVSSYSA-N 1 2 222.248 -0.524 20 0 BBADLO Cc1nc(N2CCO[C@H](C(N)=O)C2)cc[nH+]1 ZINC000408241314 180194018 /nfs/dbraw/zinc/19/40/18/180194018.db2.gz VMNOLTRRBHDCBY-QMMMGPOBSA-N 1 2 222.248 -0.524 20 0 BBADLO C[NH+]1CCN(C(=O)C2(O)CCOCC2)CC1 ZINC000408242205 173064069 /nfs/dbraw/zinc/06/40/69/173064069.db2.gz RGKKULGSZWNLPU-UHFFFAOYSA-N 1 2 228.292 -0.698 20 0 BBADLO Cc1c(NC(=O)[C@@H]2C[N@@H+](C)CCO2)cnn1C ZINC000408250647 344272936 /nfs/dbraw/zinc/27/29/36/344272936.db2.gz PPEVMUPBDTXAOO-JTQLQIEISA-N 1 2 238.291 -0.002 20 0 BBADLO Cc1c(NC(=O)[C@@H]2C[N@H+](C)CCO2)cnn1C ZINC000408250647 344272934 /nfs/dbraw/zinc/27/29/34/344272934.db2.gz PPEVMUPBDTXAOO-JTQLQIEISA-N 1 2 238.291 -0.002 20 0 BBADLO Cc1c(NC(=O)[C@H]2C[N@@H+](C)CCO2)cnn1C ZINC000408250648 344919546 /nfs/dbraw/zinc/91/95/46/344919546.db2.gz PPEVMUPBDTXAOO-SNVBAGLBSA-N 1 2 238.291 -0.002 20 0 BBADLO Cc1c(NC(=O)[C@H]2C[N@H+](C)CCO2)cnn1C ZINC000408250648 344919541 /nfs/dbraw/zinc/91/95/41/344919541.db2.gz PPEVMUPBDTXAOO-SNVBAGLBSA-N 1 2 238.291 -0.002 20 0 BBADLO CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)OC)C1 ZINC000408255712 173291764 /nfs/dbraw/zinc/29/17/64/173291764.db2.gz ITQVYGZBHBMTSS-HTQZYQBOSA-N 1 2 229.280 -0.449 20 0 BBADLO CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)OC)C1 ZINC000408255712 173291763 /nfs/dbraw/zinc/29/17/63/173291763.db2.gz ITQVYGZBHBMTSS-HTQZYQBOSA-N 1 2 229.280 -0.449 20 0 BBADLO CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)OC)C1 ZINC000408255713 173291813 /nfs/dbraw/zinc/29/18/13/173291813.db2.gz ITQVYGZBHBMTSS-JGVFFNPUSA-N 1 2 229.280 -0.449 20 0 BBADLO CNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)OC)C1 ZINC000408255713 173291812 /nfs/dbraw/zinc/29/18/12/173291812.db2.gz ITQVYGZBHBMTSS-JGVFFNPUSA-N 1 2 229.280 -0.449 20 0 BBADLO CNC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)OC)C1 ZINC000408255715 173292250 /nfs/dbraw/zinc/29/22/50/173292250.db2.gz ITQVYGZBHBMTSS-SFYZADRCSA-N 1 2 229.280 -0.449 20 0 BBADLO CNC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)OC)C1 ZINC000408255715 173292249 /nfs/dbraw/zinc/29/22/49/173292249.db2.gz ITQVYGZBHBMTSS-SFYZADRCSA-N 1 2 229.280 -0.449 20 0 BBADLO CNC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)OC)C1 ZINC000408255716 173292407 /nfs/dbraw/zinc/29/24/07/173292407.db2.gz ITQVYGZBHBMTSS-YUMQZZPRSA-N 1 2 229.280 -0.449 20 0 BBADLO CNC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)OC)C1 ZINC000408255716 173292406 /nfs/dbraw/zinc/29/24/06/173292406.db2.gz ITQVYGZBHBMTSS-YUMQZZPRSA-N 1 2 229.280 -0.449 20 0 BBADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000408258507 344954249 /nfs/dbraw/zinc/95/42/49/344954249.db2.gz XTXHKXVYQOAEMW-MRVPVSSYSA-N 1 2 228.296 -0.874 20 0 BBADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000408258507 344954248 /nfs/dbraw/zinc/95/42/48/344954248.db2.gz XTXHKXVYQOAEMW-MRVPVSSYSA-N 1 2 228.296 -0.874 20 0 BBADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)NC)C1 ZINC000408258508 344954053 /nfs/dbraw/zinc/95/40/53/344954053.db2.gz XTXHKXVYQOAEMW-QMMMGPOBSA-N 1 2 228.296 -0.874 20 0 BBADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)NC)C1 ZINC000408258508 344954050 /nfs/dbraw/zinc/95/40/50/344954050.db2.gz XTXHKXVYQOAEMW-QMMMGPOBSA-N 1 2 228.296 -0.874 20 0 BBADLO COCC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000408259109 385893729 /nfs/dbraw/zinc/89/37/29/385893729.db2.gz GGZSGKGUJLHBSL-UHFFFAOYSA-N 1 2 243.307 -0.959 20 0 BBADLO CCN(C)S(=O)(=O)N1CCn2cc[nH+]c2C1 ZINC000408259843 344958093 /nfs/dbraw/zinc/95/80/93/344958093.db2.gz AQSWOLMMKVLBNT-UHFFFAOYSA-N 1 2 244.320 -0.105 20 0 BBADLO COC(=O)C1(C[N@H+]2CCNC(=O)C2)CC1 ZINC000408262143 344965103 /nfs/dbraw/zinc/96/51/03/344965103.db2.gz GQHTXGQXXMCWCD-UHFFFAOYSA-N 1 2 212.249 -0.629 20 0 BBADLO COC(=O)C1(C[N@@H+]2CCNC(=O)C2)CC1 ZINC000408262143 344965101 /nfs/dbraw/zinc/96/51/01/344965101.db2.gz GQHTXGQXXMCWCD-UHFFFAOYSA-N 1 2 212.249 -0.629 20 0 BBADLO COC(=O)C(C)(C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000408265530 344982239 /nfs/dbraw/zinc/98/22/39/344982239.db2.gz RUFIPSGTMHYDAV-MRVPVSSYSA-N 1 2 244.291 -0.615 20 0 BBADLO COC(=O)C(C)(C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000408265530 344982236 /nfs/dbraw/zinc/98/22/36/344982236.db2.gz RUFIPSGTMHYDAV-MRVPVSSYSA-N 1 2 244.291 -0.615 20 0 BBADLO COC(=O)C(C)(C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000408265531 344982067 /nfs/dbraw/zinc/98/20/67/344982067.db2.gz RUFIPSGTMHYDAV-QMMMGPOBSA-N 1 2 244.291 -0.615 20 0 BBADLO COC(=O)C(C)(C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000408265531 344982063 /nfs/dbraw/zinc/98/20/63/344982063.db2.gz RUFIPSGTMHYDAV-QMMMGPOBSA-N 1 2 244.291 -0.615 20 0 BBADLO COCC(C)(C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000408268925 344402661 /nfs/dbraw/zinc/40/26/61/344402661.db2.gz FSMKUJIXNHLREC-SECBINFHSA-N 1 2 230.308 -0.142 20 0 BBADLO COCC(C)(C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000408268925 344402658 /nfs/dbraw/zinc/40/26/58/344402658.db2.gz FSMKUJIXNHLREC-SECBINFHSA-N 1 2 230.308 -0.142 20 0 BBADLO COCC(C)(C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000408268926 344992831 /nfs/dbraw/zinc/99/28/31/344992831.db2.gz FSMKUJIXNHLREC-VIFPVBQESA-N 1 2 230.308 -0.142 20 0 BBADLO COCC(C)(C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000408268926 344992830 /nfs/dbraw/zinc/99/28/30/344992830.db2.gz FSMKUJIXNHLREC-VIFPVBQESA-N 1 2 230.308 -0.142 20 0 BBADLO COC(=O)[C@@H]1CC[N@H+]([C@H](C)c2nnnn2C)C1 ZINC000408270244 344402180 /nfs/dbraw/zinc/40/21/80/344402180.db2.gz PBLPKNDJERFYSS-HTQZYQBOSA-N 1 2 239.279 -0.234 20 0 BBADLO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)c2nnnn2C)C1 ZINC000408270244 344402177 /nfs/dbraw/zinc/40/21/77/344402177.db2.gz PBLPKNDJERFYSS-HTQZYQBOSA-N 1 2 239.279 -0.234 20 0 BBADLO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)c2nnnn2C)C1 ZINC000408270246 344402415 /nfs/dbraw/zinc/40/24/15/344402415.db2.gz PBLPKNDJERFYSS-JGVFFNPUSA-N 1 2 239.279 -0.234 20 0 BBADLO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)c2nnnn2C)C1 ZINC000408270246 344402412 /nfs/dbraw/zinc/40/24/12/344402412.db2.gz PBLPKNDJERFYSS-JGVFFNPUSA-N 1 2 239.279 -0.234 20 0 BBADLO COC(=O)[C@H]1CC[N@H+]([C@H](C)c2nnnn2C)C1 ZINC000408270247 344997931 /nfs/dbraw/zinc/99/79/31/344997931.db2.gz PBLPKNDJERFYSS-SFYZADRCSA-N 1 2 239.279 -0.234 20 0 BBADLO COC(=O)[C@H]1CC[N@@H+]([C@H](C)c2nnnn2C)C1 ZINC000408270247 344997929 /nfs/dbraw/zinc/99/79/29/344997929.db2.gz PBLPKNDJERFYSS-SFYZADRCSA-N 1 2 239.279 -0.234 20 0 BBADLO COC(=O)[C@H]1CC[N@H+]([C@@H](C)c2nnnn2C)C1 ZINC000408270249 344402516 /nfs/dbraw/zinc/40/25/16/344402516.db2.gz PBLPKNDJERFYSS-YUMQZZPRSA-N 1 2 239.279 -0.234 20 0 BBADLO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)c2nnnn2C)C1 ZINC000408270249 344402514 /nfs/dbraw/zinc/40/25/14/344402514.db2.gz PBLPKNDJERFYSS-YUMQZZPRSA-N 1 2 239.279 -0.234 20 0 BBADLO Cc1nc(N(C)C)nc(N2CC(C)(O)C2)[nH+]1 ZINC000408270565 344403139 /nfs/dbraw/zinc/40/31/39/344403139.db2.gz WLAVNWNPSAKWLV-UHFFFAOYSA-N 1 2 223.280 -0.183 20 0 BBADLO Cc1nc(N2CC(C)(O)C2)nc(N(C)C)[nH+]1 ZINC000408270565 344403137 /nfs/dbraw/zinc/40/31/37/344403137.db2.gz WLAVNWNPSAKWLV-UHFFFAOYSA-N 1 2 223.280 -0.183 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+]1CC[C@](C)(O)C1 ZINC000408272887 385907059 /nfs/dbraw/zinc/90/70/59/385907059.db2.gz KPHHUSFQGPXSQX-APPZFPTMSA-N 1 2 211.269 -0.272 20 0 BBADLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@](C)(O)C1 ZINC000408272887 385907055 /nfs/dbraw/zinc/90/70/55/385907055.db2.gz KPHHUSFQGPXSQX-APPZFPTMSA-N 1 2 211.269 -0.272 20 0 BBADLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@](C)(O)C1 ZINC000408272888 344422544 /nfs/dbraw/zinc/42/25/44/344422544.db2.gz KPHHUSFQGPXSQX-CBAPKCEASA-N 1 2 211.269 -0.272 20 0 BBADLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@](C)(O)C1 ZINC000408272888 344422542 /nfs/dbraw/zinc/42/25/42/344422542.db2.gz KPHHUSFQGPXSQX-CBAPKCEASA-N 1 2 211.269 -0.272 20 0 BBADLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@@](C)(O)C1 ZINC000408272889 344422524 /nfs/dbraw/zinc/42/25/24/344422524.db2.gz KPHHUSFQGPXSQX-IONNQARKSA-N 1 2 211.269 -0.272 20 0 BBADLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@@](C)(O)C1 ZINC000408272889 344422522 /nfs/dbraw/zinc/42/25/22/344422522.db2.gz KPHHUSFQGPXSQX-IONNQARKSA-N 1 2 211.269 -0.272 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+]1CC[C@@](C)(O)C1 ZINC000408272890 385906393 /nfs/dbraw/zinc/90/63/93/385906393.db2.gz KPHHUSFQGPXSQX-VXNVDRBHSA-N 1 2 211.269 -0.272 20 0 BBADLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@@](C)(O)C1 ZINC000408272890 385906390 /nfs/dbraw/zinc/90/63/90/385906390.db2.gz KPHHUSFQGPXSQX-VXNVDRBHSA-N 1 2 211.269 -0.272 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000408273048 385908641 /nfs/dbraw/zinc/90/86/41/385908641.db2.gz MWPXCHVHHPJMIP-HLTSFMKQSA-N 1 2 225.296 -0.026 20 0 BBADLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000408273048 385908637 /nfs/dbraw/zinc/90/86/37/385908637.db2.gz MWPXCHVHHPJMIP-HLTSFMKQSA-N 1 2 225.296 -0.026 20 0 BBADLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000408273049 384574188 /nfs/dbraw/zinc/57/41/88/384574188.db2.gz MWPXCHVHHPJMIP-HRDYMLBCSA-N 1 2 225.296 -0.026 20 0 BBADLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000408273049 384574184 /nfs/dbraw/zinc/57/41/84/384574184.db2.gz MWPXCHVHHPJMIP-HRDYMLBCSA-N 1 2 225.296 -0.026 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000408273050 385908928 /nfs/dbraw/zinc/90/89/28/385908928.db2.gz MWPXCHVHHPJMIP-IWSPIJDZSA-N 1 2 225.296 -0.026 20 0 BBADLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000408273050 385908922 /nfs/dbraw/zinc/90/89/22/385908922.db2.gz MWPXCHVHHPJMIP-IWSPIJDZSA-N 1 2 225.296 -0.026 20 0 BBADLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000408273051 385908943 /nfs/dbraw/zinc/90/89/43/385908943.db2.gz MWPXCHVHHPJMIP-VGMNWLOBSA-N 1 2 225.296 -0.026 20 0 BBADLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000408273051 385908938 /nfs/dbraw/zinc/90/89/38/385908938.db2.gz MWPXCHVHHPJMIP-VGMNWLOBSA-N 1 2 225.296 -0.026 20 0 BBADLO C[C@H](c1nnnn1C)[N@@H+](C)C1CC(O)C1 ZINC000408273121 345007449 /nfs/dbraw/zinc/00/74/49/345007449.db2.gz NVMDZJDXYLRRDS-JECWYVHBSA-N 1 2 211.269 -0.274 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+](C)C1CC(O)C1 ZINC000408273121 345007448 /nfs/dbraw/zinc/00/74/48/345007448.db2.gz NVMDZJDXYLRRDS-JECWYVHBSA-N 1 2 211.269 -0.274 20 0 BBADLO C[C@@H](c1nnnn1C)[N@@H+](C)C1CC(O)C1 ZINC000408273122 345007390 /nfs/dbraw/zinc/00/73/90/345007390.db2.gz NVMDZJDXYLRRDS-KKMMWDRVSA-N 1 2 211.269 -0.274 20 0 BBADLO C[C@@H](c1nnnn1C)[N@H+](C)C1CC(O)C1 ZINC000408273122 345007389 /nfs/dbraw/zinc/00/73/89/345007389.db2.gz NVMDZJDXYLRRDS-KKMMWDRVSA-N 1 2 211.269 -0.274 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000408273835 345010038 /nfs/dbraw/zinc/01/00/38/345010038.db2.gz TXOCLXRZXQBFTE-HLTSFMKQSA-N 1 2 225.296 -0.026 20 0 BBADLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000408273835 345010035 /nfs/dbraw/zinc/01/00/35/345010035.db2.gz TXOCLXRZXQBFTE-HLTSFMKQSA-N 1 2 225.296 -0.026 20 0 BBADLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000408273836 345009926 /nfs/dbraw/zinc/00/99/26/345009926.db2.gz TXOCLXRZXQBFTE-HRDYMLBCSA-N 1 2 225.296 -0.026 20 0 BBADLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000408273836 345009925 /nfs/dbraw/zinc/00/99/25/345009925.db2.gz TXOCLXRZXQBFTE-HRDYMLBCSA-N 1 2 225.296 -0.026 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000408273837 345010142 /nfs/dbraw/zinc/01/01/42/345010142.db2.gz TXOCLXRZXQBFTE-IWSPIJDZSA-N 1 2 225.296 -0.026 20 0 BBADLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000408273837 345010139 /nfs/dbraw/zinc/01/01/39/345010139.db2.gz TXOCLXRZXQBFTE-IWSPIJDZSA-N 1 2 225.296 -0.026 20 0 BBADLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000408273839 385911716 /nfs/dbraw/zinc/91/17/16/385911716.db2.gz TXOCLXRZXQBFTE-VGMNWLOBSA-N 1 2 225.296 -0.026 20 0 BBADLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000408273839 385911709 /nfs/dbraw/zinc/91/17/09/385911709.db2.gz TXOCLXRZXQBFTE-VGMNWLOBSA-N 1 2 225.296 -0.026 20 0 BBADLO C[C@H](c1nnnn1C)N1CCn2cc[nH+]c2C1 ZINC000408274809 345014862 /nfs/dbraw/zinc/01/48/62/345014862.db2.gz OZXMEDROPQOTEY-MRVPVSSYSA-N 1 2 233.279 -0.017 20 0 BBADLO C[C@@H](c1nnnn1C)N1CCn2cc[nH+]c2C1 ZINC000408274810 345014626 /nfs/dbraw/zinc/01/46/26/345014626.db2.gz OZXMEDROPQOTEY-QMMMGPOBSA-N 1 2 233.279 -0.017 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000408276281 345017928 /nfs/dbraw/zinc/01/79/28/345017928.db2.gz GJHCWQDZTVETOD-FXPVBKGRSA-N 1 2 228.292 -0.260 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000408276281 345017924 /nfs/dbraw/zinc/01/79/24/345017924.db2.gz GJHCWQDZTVETOD-FXPVBKGRSA-N 1 2 228.292 -0.260 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000408276282 345018024 /nfs/dbraw/zinc/01/80/24/345018024.db2.gz GJHCWQDZTVETOD-KKZNHRDASA-N 1 2 228.292 -0.260 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000408276282 345018021 /nfs/dbraw/zinc/01/80/21/345018021.db2.gz GJHCWQDZTVETOD-KKZNHRDASA-N 1 2 228.292 -0.260 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000408276283 344425494 /nfs/dbraw/zinc/42/54/94/344425494.db2.gz GJHCWQDZTVETOD-WCABBAIRSA-N 1 2 228.292 -0.260 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000408276283 344425491 /nfs/dbraw/zinc/42/54/91/344425491.db2.gz GJHCWQDZTVETOD-WCABBAIRSA-N 1 2 228.292 -0.260 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000408276284 345018141 /nfs/dbraw/zinc/01/81/41/345018141.db2.gz GJHCWQDZTVETOD-YWVKMMECSA-N 1 2 228.292 -0.260 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000408276284 345018139 /nfs/dbraw/zinc/01/81/39/345018139.db2.gz GJHCWQDZTVETOD-YWVKMMECSA-N 1 2 228.292 -0.260 20 0 BBADLO C[C@H]1OCC[C@@]12C[N@@H+](CC(N)=O)CCO2 ZINC000408276731 345018628 /nfs/dbraw/zinc/01/86/28/345018628.db2.gz LBUMORPVYOLPFW-PSASIEDQSA-N 1 2 214.265 -0.649 20 0 BBADLO C[C@H]1OCC[C@@]12C[N@H+](CC(N)=O)CCO2 ZINC000408276731 345018626 /nfs/dbraw/zinc/01/86/26/345018626.db2.gz LBUMORPVYOLPFW-PSASIEDQSA-N 1 2 214.265 -0.649 20 0 BBADLO C[C@H]1OCC[C@]12C[N@@H+](CC(N)=O)CCO2 ZINC000408276732 345018618 /nfs/dbraw/zinc/01/86/18/345018618.db2.gz LBUMORPVYOLPFW-SCZZXKLOSA-N 1 2 214.265 -0.649 20 0 BBADLO C[C@H]1OCC[C@]12C[N@H+](CC(N)=O)CCO2 ZINC000408276732 345018617 /nfs/dbraw/zinc/01/86/17/345018617.db2.gz LBUMORPVYOLPFW-SCZZXKLOSA-N 1 2 214.265 -0.649 20 0 BBADLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(N)=O)CCO2 ZINC000408276733 345018700 /nfs/dbraw/zinc/01/87/00/345018700.db2.gz LBUMORPVYOLPFW-WCBMZHEXSA-N 1 2 214.265 -0.649 20 0 BBADLO C[C@@H]1OCC[C@@]12C[N@H+](CC(N)=O)CCO2 ZINC000408276733 345018696 /nfs/dbraw/zinc/01/86/96/345018696.db2.gz LBUMORPVYOLPFW-WCBMZHEXSA-N 1 2 214.265 -0.649 20 0 BBADLO C[C@@H]1OCC[C@]12C[N@@H+](CC(N)=O)CCO2 ZINC000408276734 345018642 /nfs/dbraw/zinc/01/86/42/345018642.db2.gz LBUMORPVYOLPFW-WPRPVWTQSA-N 1 2 214.265 -0.649 20 0 BBADLO C[C@@H]1OCC[C@]12C[N@H+](CC(N)=O)CCO2 ZINC000408276734 345018638 /nfs/dbraw/zinc/01/86/38/345018638.db2.gz LBUMORPVYOLPFW-WPRPVWTQSA-N 1 2 214.265 -0.649 20 0 BBADLO Cn1cc[nH+]c1[C@H]1CN(CC(N)=O)CCN1C ZINC000408280847 344439038 /nfs/dbraw/zinc/43/90/38/344439038.db2.gz KRCWXQSWZUQIRC-SECBINFHSA-N 1 2 237.307 -0.806 20 0 BBADLO Cn1cc[nH+]c1[C@@H]1CN(CC(N)=O)CCN1C ZINC000408280848 345031276 /nfs/dbraw/zinc/03/12/76/345031276.db2.gz KRCWXQSWZUQIRC-VIFPVBQESA-N 1 2 237.307 -0.806 20 0 BBADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CC(C)(C)O)C1 ZINC000408284835 345045151 /nfs/dbraw/zinc/04/51/51/345045151.db2.gz BCUZCVTUOQBBEE-JTQLQIEISA-N 1 2 243.351 -0.491 20 0 BBADLO CN1CC[N@H+](C)[C@@H](CNC(=O)CC(C)(C)O)C1 ZINC000408284835 345045150 /nfs/dbraw/zinc/04/51/50/345045150.db2.gz BCUZCVTUOQBBEE-JTQLQIEISA-N 1 2 243.351 -0.491 20 0 BBADLO CN1CC[N@@H+](C)[C@H](CNC(=O)CC(C)(C)O)C1 ZINC000408284837 345044970 /nfs/dbraw/zinc/04/49/70/345044970.db2.gz BCUZCVTUOQBBEE-SNVBAGLBSA-N 1 2 243.351 -0.491 20 0 BBADLO CN1CC[N@H+](C)[C@H](CNC(=O)CC(C)(C)O)C1 ZINC000408284837 345044967 /nfs/dbraw/zinc/04/49/67/345044967.db2.gz BCUZCVTUOQBBEE-SNVBAGLBSA-N 1 2 243.351 -0.491 20 0 BBADLO C[N@H+]1CCO[C@H](CNC(=O)CC(C)(C)O)C1 ZINC000408285252 345045791 /nfs/dbraw/zinc/04/57/91/345045791.db2.gz FVHMOTQWLXQSNZ-SECBINFHSA-N 1 2 230.308 -0.406 20 0 BBADLO C[N@@H+]1CCO[C@H](CNC(=O)CC(C)(C)O)C1 ZINC000408285252 345045790 /nfs/dbraw/zinc/04/57/90/345045790.db2.gz FVHMOTQWLXQSNZ-SECBINFHSA-N 1 2 230.308 -0.406 20 0 BBADLO C[N@H+]1CCO[C@@H](CNC(=O)CC(C)(C)O)C1 ZINC000408285253 345045726 /nfs/dbraw/zinc/04/57/26/345045726.db2.gz FVHMOTQWLXQSNZ-VIFPVBQESA-N 1 2 230.308 -0.406 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNC(=O)CC(C)(C)O)C1 ZINC000408285253 345045725 /nfs/dbraw/zinc/04/57/25/345045725.db2.gz FVHMOTQWLXQSNZ-VIFPVBQESA-N 1 2 230.308 -0.406 20 0 BBADLO C[C@H](C(=O)N1C[C@@H](O)C[C@@H]1C)[NH+]1CCOCC1 ZINC000408291749 345059197 /nfs/dbraw/zinc/05/91/97/345059197.db2.gz AEDQJUDYBJDRHQ-AXFHLTTASA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@H](C(=O)N1C[C@H](O)C[C@H]1C)[NH+]1CCOCC1 ZINC000408291750 345059480 /nfs/dbraw/zinc/05/94/80/345059480.db2.gz AEDQJUDYBJDRHQ-GMTAPVOTSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@H](C(=O)N1C[C@H](O)C[C@@H]1C)[NH+]1CCOCC1 ZINC000408291751 345059788 /nfs/dbraw/zinc/05/97/88/345059788.db2.gz AEDQJUDYBJDRHQ-HBNTYKKESA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@H](C(=O)N1C[C@@H](O)C[C@H]1C)[NH+]1CCOCC1 ZINC000408291752 134681763 /nfs/dbraw/zinc/68/17/63/134681763.db2.gz AEDQJUDYBJDRHQ-MXWKQRLJSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000408294155 345066005 /nfs/dbraw/zinc/06/60/05/345066005.db2.gz KUECQUAWBDQDGF-BBBLOLIVSA-N 1 2 228.292 -0.701 20 0 BBADLO C[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000408294155 345066002 /nfs/dbraw/zinc/06/60/02/345066002.db2.gz KUECQUAWBDQDGF-BBBLOLIVSA-N 1 2 228.292 -0.701 20 0 BBADLO C[C@@H]1C[C@H](O)CN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000408294156 345066178 /nfs/dbraw/zinc/06/61/78/345066178.db2.gz KUECQUAWBDQDGF-KXUCPTDWSA-N 1 2 228.292 -0.701 20 0 BBADLO C[C@@H]1C[C@H](O)CN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000408294156 345066175 /nfs/dbraw/zinc/06/61/75/345066175.db2.gz KUECQUAWBDQDGF-KXUCPTDWSA-N 1 2 228.292 -0.701 20 0 BBADLO C[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000408294157 345066344 /nfs/dbraw/zinc/06/63/44/345066344.db2.gz KUECQUAWBDQDGF-OPRDCNLKSA-N 1 2 228.292 -0.701 20 0 BBADLO C[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000408294157 345066343 /nfs/dbraw/zinc/06/63/43/345066343.db2.gz KUECQUAWBDQDGF-OPRDCNLKSA-N 1 2 228.292 -0.701 20 0 BBADLO C[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000408294158 345066222 /nfs/dbraw/zinc/06/62/22/345066222.db2.gz KUECQUAWBDQDGF-UTLUCORTSA-N 1 2 228.292 -0.701 20 0 BBADLO C[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000408294158 345066219 /nfs/dbraw/zinc/06/62/19/345066219.db2.gz KUECQUAWBDQDGF-UTLUCORTSA-N 1 2 228.292 -0.701 20 0 BBADLO CC(C)[C@@](C)(O)C(=O)N1CC[NH+](CCO)CC1 ZINC000408296790 134688819 /nfs/dbraw/zinc/68/88/19/134688819.db2.gz GEDINDWVBORTRB-GFCCVEGCSA-N 1 2 244.335 -0.470 20 0 BBADLO CC(C)[C@](C)(O)C(=O)N1CC[NH+](CCO)CC1 ZINC000408296791 344468786 /nfs/dbraw/zinc/46/87/86/344468786.db2.gz GEDINDWVBORTRB-LBPRGKRZSA-N 1 2 244.335 -0.470 20 0 BBADLO CC(C)[C@@](C)(O)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000408298523 345077129 /nfs/dbraw/zinc/07/71/29/345077129.db2.gz ORNAHIBGRRUEFB-CMPLNLGQSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@@](C)(O)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000408298523 345077128 /nfs/dbraw/zinc/07/71/28/345077128.db2.gz ORNAHIBGRRUEFB-CMPLNLGQSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@](C)(O)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000408298524 344470697 /nfs/dbraw/zinc/47/06/97/344470697.db2.gz ORNAHIBGRRUEFB-JQWIXIFHSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@](C)(O)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000408298524 344470695 /nfs/dbraw/zinc/47/06/95/344470695.db2.gz ORNAHIBGRRUEFB-JQWIXIFHSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@](C)(O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000408298525 344470687 /nfs/dbraw/zinc/47/06/87/344470687.db2.gz ORNAHIBGRRUEFB-PWSUYJOCSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@](C)(O)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000408298525 344470685 /nfs/dbraw/zinc/47/06/85/344470685.db2.gz ORNAHIBGRRUEFB-PWSUYJOCSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@@](C)(O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000408298526 344470627 /nfs/dbraw/zinc/47/06/27/344470627.db2.gz ORNAHIBGRRUEFB-ZYHUDNBSSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@@](C)(O)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000408298526 344470625 /nfs/dbraw/zinc/47/06/25/344470625.db2.gz ORNAHIBGRRUEFB-ZYHUDNBSSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)(O)CC[N@H+]1CCN2C(=O)N=NC2C1 ZINC000408307819 345104245 /nfs/dbraw/zinc/10/42/45/345104245.db2.gz FTJKKGQMYUJLKY-UHFFFAOYSA-N 1 2 226.280 -0.040 20 0 BBADLO CC(C)(O)CC[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000408307819 345104243 /nfs/dbraw/zinc/10/42/43/345104243.db2.gz FTJKKGQMYUJLKY-UHFFFAOYSA-N 1 2 226.280 -0.040 20 0 BBADLO COCC[NH+]1CCN(C(=O)C2(O)CCC2)CC1 ZINC000408313590 344486759 /nfs/dbraw/zinc/48/67/59/344486759.db2.gz KQLZUTAKTWKDDZ-UHFFFAOYSA-N 1 2 242.319 -0.308 20 0 BBADLO C[C@H]1COCC[N@H+]1CCNC(=O)C1(O)CCC1 ZINC000408313811 345124517 /nfs/dbraw/zinc/12/45/17/345124517.db2.gz NDXQOBJOJLORAH-JTQLQIEISA-N 1 2 242.319 -0.262 20 0 BBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C1(O)CCC1 ZINC000408313811 345124513 /nfs/dbraw/zinc/12/45/13/345124513.db2.gz NDXQOBJOJLORAH-JTQLQIEISA-N 1 2 242.319 -0.262 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C1(O)CCC1 ZINC000408313812 345124839 /nfs/dbraw/zinc/12/48/39/345124839.db2.gz NDXQOBJOJLORAH-SNVBAGLBSA-N 1 2 242.319 -0.262 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C1(O)CCC1 ZINC000408313812 345124838 /nfs/dbraw/zinc/12/48/38/345124838.db2.gz NDXQOBJOJLORAH-SNVBAGLBSA-N 1 2 242.319 -0.262 20 0 BBADLO Cn1cc[nH+]c1CNC(=O)C1(O)CCC1 ZINC000408313836 344486922 /nfs/dbraw/zinc/48/69/22/344486922.db2.gz NLJUOBAGNGDOEI-UHFFFAOYSA-N 1 2 209.249 -0.049 20 0 BBADLO CN(CC[NH+]1CCOCC1)C(=O)C1(O)CCC1 ZINC000408314706 344488091 /nfs/dbraw/zinc/48/80/91/344488091.db2.gz WHVRNUYUQVYLNC-UHFFFAOYSA-N 1 2 242.319 -0.308 20 0 BBADLO CNC(=O)NC(=O)C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000408320175 345145958 /nfs/dbraw/zinc/14/59/58/345145958.db2.gz NLDGVPLBGZSAFV-MRVPVSSYSA-N 1 2 243.307 -0.059 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000408320175 345145955 /nfs/dbraw/zinc/14/59/55/345145955.db2.gz NLDGVPLBGZSAFV-MRVPVSSYSA-N 1 2 243.307 -0.059 20 0 BBADLO CNC(=O)NC(=O)C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000408320176 345145574 /nfs/dbraw/zinc/14/55/74/345145574.db2.gz NLDGVPLBGZSAFV-QMMMGPOBSA-N 1 2 243.307 -0.059 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000408320176 345145572 /nfs/dbraw/zinc/14/55/72/345145572.db2.gz NLDGVPLBGZSAFV-QMMMGPOBSA-N 1 2 243.307 -0.059 20 0 BBADLO C[C@H]1[N@@H+](CC(=O)NC(N)=O)CCOC1(C)C ZINC000408322272 344502189 /nfs/dbraw/zinc/50/21/89/344502189.db2.gz SEGOGZDLCVTRIZ-SSDOTTSWSA-N 1 2 229.280 -0.319 20 0 BBADLO C[C@H]1[N@H+](CC(=O)NC(N)=O)CCOC1(C)C ZINC000408322272 344502188 /nfs/dbraw/zinc/50/21/88/344502188.db2.gz SEGOGZDLCVTRIZ-SSDOTTSWSA-N 1 2 229.280 -0.319 20 0 BBADLO C[C@@H]1[N@@H+](CC(=O)NC(N)=O)CCOC1(C)C ZINC000408322274 345150104 /nfs/dbraw/zinc/15/01/04/345150104.db2.gz SEGOGZDLCVTRIZ-ZETCQYMHSA-N 1 2 229.280 -0.319 20 0 BBADLO C[C@@H]1[N@H+](CC(=O)NC(N)=O)CCOC1(C)C ZINC000408322274 345150101 /nfs/dbraw/zinc/15/01/01/345150101.db2.gz SEGOGZDLCVTRIZ-ZETCQYMHSA-N 1 2 229.280 -0.319 20 0 BBADLO C[C@@H](C(=O)N1CC[C@@](C)(O)C1)[NH+]1CCOCC1 ZINC000408328174 134722341 /nfs/dbraw/zinc/72/23/41/134722341.db2.gz FWPNPDQLMSAVFL-CMPLNLGQSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@@H](C(=O)N1CC[C@](C)(O)C1)[NH+]1CCOCC1 ZINC000408328175 344508768 /nfs/dbraw/zinc/50/87/68/344508768.db2.gz FWPNPDQLMSAVFL-JQWIXIFHSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H](C(=O)N1CC[C@](C)(O)C1)[NH+]1CCOCC1 ZINC000408328176 345175745 /nfs/dbraw/zinc/17/57/45/345175745.db2.gz FWPNPDQLMSAVFL-PWSUYJOCSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H](C(=O)N1CC[C@@](C)(O)C1)[NH+]1CCOCC1 ZINC000408328177 345175497 /nfs/dbraw/zinc/17/54/97/345175497.db2.gz FWPNPDQLMSAVFL-ZYHUDNBSSA-N 1 2 242.319 -0.310 20 0 BBADLO Cc1nc(N(C)C)nc(N2CC[C@@H](O)C2)[nH+]1 ZINC000408329783 345191840 /nfs/dbraw/zinc/19/18/40/345191840.db2.gz NYUGLUNPSFEROJ-MRVPVSSYSA-N 1 2 223.280 -0.183 20 0 BBADLO Cc1nc(N2CC[C@@H](O)C2)nc(N(C)C)[nH+]1 ZINC000408329783 345191834 /nfs/dbraw/zinc/19/18/34/345191834.db2.gz NYUGLUNPSFEROJ-MRVPVSSYSA-N 1 2 223.280 -0.183 20 0 BBADLO Cc1nc(N(C)C)nc(N2CC[C@H](O)C2)[nH+]1 ZINC000408329784 345192186 /nfs/dbraw/zinc/19/21/86/345192186.db2.gz NYUGLUNPSFEROJ-QMMMGPOBSA-N 1 2 223.280 -0.183 20 0 BBADLO Cc1nc(N2CC[C@H](O)C2)nc(N(C)C)[nH+]1 ZINC000408329784 345192184 /nfs/dbraw/zinc/19/21/84/345192184.db2.gz NYUGLUNPSFEROJ-QMMMGPOBSA-N 1 2 223.280 -0.183 20 0 BBADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@@]2(CCOC2)O1 ZINC000408347721 398129783 /nfs/dbraw/zinc/12/97/83/398129783.db2.gz AKLBWLOZXOMYLC-PSASIEDQSA-N 1 2 214.265 -0.649 20 0 BBADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@@]2(CCOC2)O1 ZINC000408347721 398129780 /nfs/dbraw/zinc/12/97/80/398129780.db2.gz AKLBWLOZXOMYLC-PSASIEDQSA-N 1 2 214.265 -0.649 20 0 BBADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@]2(CCOC2)O1 ZINC000408347722 398129772 /nfs/dbraw/zinc/12/97/72/398129772.db2.gz AKLBWLOZXOMYLC-SCZZXKLOSA-N 1 2 214.265 -0.649 20 0 BBADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@]2(CCOC2)O1 ZINC000408347722 398129769 /nfs/dbraw/zinc/12/97/69/398129769.db2.gz AKLBWLOZXOMYLC-SCZZXKLOSA-N 1 2 214.265 -0.649 20 0 BBADLO C[C@H]1C[N@@H+](CC(N)=O)C[C@@]2(CCOC2)O1 ZINC000408347723 398129970 /nfs/dbraw/zinc/12/99/70/398129970.db2.gz AKLBWLOZXOMYLC-WCBMZHEXSA-N 1 2 214.265 -0.649 20 0 BBADLO C[C@H]1C[N@H+](CC(N)=O)C[C@@]2(CCOC2)O1 ZINC000408347723 398129967 /nfs/dbraw/zinc/12/99/67/398129967.db2.gz AKLBWLOZXOMYLC-WCBMZHEXSA-N 1 2 214.265 -0.649 20 0 BBADLO C[C@H]1C[N@@H+](CC(N)=O)C[C@]2(CCOC2)O1 ZINC000408347724 398129759 /nfs/dbraw/zinc/12/97/59/398129759.db2.gz AKLBWLOZXOMYLC-WPRPVWTQSA-N 1 2 214.265 -0.649 20 0 BBADLO C[C@H]1C[N@H+](CC(N)=O)C[C@]2(CCOC2)O1 ZINC000408347724 398129756 /nfs/dbraw/zinc/12/97/56/398129756.db2.gz AKLBWLOZXOMYLC-WPRPVWTQSA-N 1 2 214.265 -0.649 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000408348419 386169431 /nfs/dbraw/zinc/16/94/31/386169431.db2.gz HCYWZWAQRVHZBX-FXPVBKGRSA-N 1 2 228.292 -0.260 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000408348419 386169428 /nfs/dbraw/zinc/16/94/28/386169428.db2.gz HCYWZWAQRVHZBX-FXPVBKGRSA-N 1 2 228.292 -0.260 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000408348420 386167963 /nfs/dbraw/zinc/16/79/63/386167963.db2.gz HCYWZWAQRVHZBX-KKZNHRDASA-N 1 2 228.292 -0.260 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000408348420 386167959 /nfs/dbraw/zinc/16/79/59/386167959.db2.gz HCYWZWAQRVHZBX-KKZNHRDASA-N 1 2 228.292 -0.260 20 0 BBADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000408348421 386168873 /nfs/dbraw/zinc/16/88/73/386168873.db2.gz HCYWZWAQRVHZBX-WCABBAIRSA-N 1 2 228.292 -0.260 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000408348421 386168870 /nfs/dbraw/zinc/16/88/70/386168870.db2.gz HCYWZWAQRVHZBX-WCABBAIRSA-N 1 2 228.292 -0.260 20 0 BBADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000408348422 386167736 /nfs/dbraw/zinc/16/77/36/386167736.db2.gz HCYWZWAQRVHZBX-YWVKMMECSA-N 1 2 228.292 -0.260 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000408348422 386167732 /nfs/dbraw/zinc/16/77/32/386167732.db2.gz HCYWZWAQRVHZBX-YWVKMMECSA-N 1 2 228.292 -0.260 20 0 BBADLO Cc1nc(N(C)C)nc(N2CCNC(=O)C2)[nH+]1 ZINC000408358107 386213088 /nfs/dbraw/zinc/21/30/88/386213088.db2.gz MREGOKUBUCDESI-UHFFFAOYSA-N 1 2 236.279 -0.818 20 0 BBADLO Cc1nc(N2CCNC(=O)C2)nc(N(C)C)[nH+]1 ZINC000408358107 386213084 /nfs/dbraw/zinc/21/30/84/386213084.db2.gz MREGOKUBUCDESI-UHFFFAOYSA-N 1 2 236.279 -0.818 20 0 BBADLO CNC(=O)NC(=O)C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000408359415 385019798 /nfs/dbraw/zinc/01/97/98/385019798.db2.gz MDOXNAMWJVLVOM-QMMMGPOBSA-N 1 2 243.307 -0.059 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000408359415 385019790 /nfs/dbraw/zinc/01/97/90/385019790.db2.gz MDOXNAMWJVLVOM-QMMMGPOBSA-N 1 2 243.307 -0.059 20 0 BBADLO CO[C@@H]1C[NH+]([C@@H](C)c2nnnn2C)C[C@H]1OC ZINC000408359430 386219295 /nfs/dbraw/zinc/21/92/95/386219295.db2.gz MKMRQASXSHNSQR-DJLDLDEBSA-N 1 2 241.295 -0.383 20 0 BBADLO CO[C@@H]1C[N@H+]([C@H](C)c2nnnn2C)C[C@@H]1OC ZINC000408359431 386220404 /nfs/dbraw/zinc/22/04/04/386220404.db2.gz MKMRQASXSHNSQR-HLTSFMKQSA-N 1 2 241.295 -0.383 20 0 BBADLO CO[C@@H]1C[N@@H+]([C@H](C)c2nnnn2C)C[C@@H]1OC ZINC000408359431 386220396 /nfs/dbraw/zinc/22/03/96/386220396.db2.gz MKMRQASXSHNSQR-HLTSFMKQSA-N 1 2 241.295 -0.383 20 0 BBADLO CO[C@@H]1C[NH+]([C@H](C)c2nnnn2C)C[C@H]1OC ZINC000408359432 386219456 /nfs/dbraw/zinc/21/94/56/386219456.db2.gz MKMRQASXSHNSQR-IWSPIJDZSA-N 1 2 241.295 -0.383 20 0 BBADLO CO[C@@H]1C[N@H+]([C@@H](C)c2nnnn2C)C[C@@H]1OC ZINC000408359433 386220515 /nfs/dbraw/zinc/22/05/15/386220515.db2.gz MKMRQASXSHNSQR-XHNCKOQMSA-N 1 2 241.295 -0.383 20 0 BBADLO CO[C@@H]1C[N@@H+]([C@@H](C)c2nnnn2C)C[C@@H]1OC ZINC000408359433 386220509 /nfs/dbraw/zinc/22/05/09/386220509.db2.gz MKMRQASXSHNSQR-XHNCKOQMSA-N 1 2 241.295 -0.383 20 0 BBADLO C[C@H]1COC(C)(C)C[N@H+]1CC(=O)NC(N)=O ZINC000408359913 386224350 /nfs/dbraw/zinc/22/43/50/386224350.db2.gz QSMDMJRZBGPPSY-ZETCQYMHSA-N 1 2 229.280 -0.319 20 0 BBADLO C[C@H]1COC(C)(C)C[N@@H+]1CC(=O)NC(N)=O ZINC000408359913 386224343 /nfs/dbraw/zinc/22/43/43/386224343.db2.gz QSMDMJRZBGPPSY-ZETCQYMHSA-N 1 2 229.280 -0.319 20 0 BBADLO C[C@@H]1C[C@H](C[N@H+]2CCOC[C@@H]2C(N)=O)CCO1 ZINC000408360615 386223141 /nfs/dbraw/zinc/22/31/41/386223141.db2.gz WKEMFOYZXPVNNU-GMTAPVOTSA-N 1 2 242.319 -0.012 20 0 BBADLO C[C@@H]1C[C@H](C[N@@H+]2CCOC[C@@H]2C(N)=O)CCO1 ZINC000408360615 386223136 /nfs/dbraw/zinc/22/31/36/386223136.db2.gz WKEMFOYZXPVNNU-GMTAPVOTSA-N 1 2 242.319 -0.012 20 0 BBADLO C[C@@H]1C[C@H](C[N@H+]2CCOC[C@H]2C(N)=O)CCO1 ZINC000408360616 386222445 /nfs/dbraw/zinc/22/24/45/386222445.db2.gz WKEMFOYZXPVNNU-MXWKQRLJSA-N 1 2 242.319 -0.012 20 0 BBADLO C[C@@H]1C[C@H](C[N@@H+]2CCOC[C@H]2C(N)=O)CCO1 ZINC000408360616 386222441 /nfs/dbraw/zinc/22/24/41/386222441.db2.gz WKEMFOYZXPVNNU-MXWKQRLJSA-N 1 2 242.319 -0.012 20 0 BBADLO C[C@@H]1C[C@@H](C[N@H+]2CCOC[C@@H]2C(N)=O)CCO1 ZINC000408360617 386223084 /nfs/dbraw/zinc/22/30/84/386223084.db2.gz WKEMFOYZXPVNNU-OUAUKWLOSA-N 1 2 242.319 -0.012 20 0 BBADLO C[C@@H]1C[C@@H](C[N@@H+]2CCOC[C@@H]2C(N)=O)CCO1 ZINC000408360617 386223078 /nfs/dbraw/zinc/22/30/78/386223078.db2.gz WKEMFOYZXPVNNU-OUAUKWLOSA-N 1 2 242.319 -0.012 20 0 BBADLO C[C@@H]1C[C@@H](C[N@H+]2CCOC[C@H]2C(N)=O)CCO1 ZINC000408360618 386223042 /nfs/dbraw/zinc/22/30/42/386223042.db2.gz WKEMFOYZXPVNNU-VWYCJHECSA-N 1 2 242.319 -0.012 20 0 BBADLO C[C@@H]1C[C@@H](C[N@@H+]2CCOC[C@H]2C(N)=O)CCO1 ZINC000408360618 386223035 /nfs/dbraw/zinc/22/30/35/386223035.db2.gz WKEMFOYZXPVNNU-VWYCJHECSA-N 1 2 242.319 -0.012 20 0 BBADLO CCCNS(=O)(=O)N1CCn2cc[nH+]c2C1 ZINC000408361525 386237710 /nfs/dbraw/zinc/23/77/10/386237710.db2.gz HCVBLAQUSHFSHR-UHFFFAOYSA-N 1 2 244.320 -0.057 20 0 BBADLO CNC(=O)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000408365509 386388516 /nfs/dbraw/zinc/38/85/16/386388516.db2.gz JEPCFQNSCVOYCL-UHFFFAOYSA-N 1 2 222.235 -0.176 20 0 BBADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](CO)C1 ZINC000408369618 398134003 /nfs/dbraw/zinc/13/40/03/398134003.db2.gz ZSKIOKMBDFRJEL-GHMZBOCLSA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CO)C1 ZINC000408369618 398133999 /nfs/dbraw/zinc/13/39/99/398133999.db2.gz ZSKIOKMBDFRJEL-GHMZBOCLSA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCO[C@H](CO)C1 ZINC000408369619 385048255 /nfs/dbraw/zinc/04/82/55/385048255.db2.gz ZSKIOKMBDFRJEL-MNOVXSKESA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](CO)C1 ZINC000408369619 385048247 /nfs/dbraw/zinc/04/82/47/385048247.db2.gz ZSKIOKMBDFRJEL-MNOVXSKESA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCO[C@H](CO)C1 ZINC000408369620 398134081 /nfs/dbraw/zinc/13/40/81/398134081.db2.gz ZSKIOKMBDFRJEL-QWRGUYRKSA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCO[C@H](CO)C1 ZINC000408369620 398134078 /nfs/dbraw/zinc/13/40/78/398134078.db2.gz ZSKIOKMBDFRJEL-QWRGUYRKSA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCO[C@@H](CO)C1 ZINC000408369621 385049422 /nfs/dbraw/zinc/04/94/22/385049422.db2.gz ZSKIOKMBDFRJEL-WDEREUQCSA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](CO)C1 ZINC000408369621 385049419 /nfs/dbraw/zinc/04/94/19/385049419.db2.gz ZSKIOKMBDFRJEL-WDEREUQCSA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)[C@@](C)(CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000408369920 386436263 /nfs/dbraw/zinc/43/62/63/386436263.db2.gz DQNQKULXRSUPTE-CMPLNLGQSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@@](C)(CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000408369920 386436257 /nfs/dbraw/zinc/43/62/57/386436257.db2.gz DQNQKULXRSUPTE-CMPLNLGQSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@](C)(CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000408369921 386436779 /nfs/dbraw/zinc/43/67/79/386436779.db2.gz DQNQKULXRSUPTE-JQWIXIFHSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@](C)(CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000408369921 386436776 /nfs/dbraw/zinc/43/67/76/386436776.db2.gz DQNQKULXRSUPTE-JQWIXIFHSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@](C)(CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000408369922 386436233 /nfs/dbraw/zinc/43/62/33/386436233.db2.gz DQNQKULXRSUPTE-PWSUYJOCSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@](C)(CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000408369922 386436228 /nfs/dbraw/zinc/43/62/28/386436228.db2.gz DQNQKULXRSUPTE-PWSUYJOCSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@@](C)(CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000408369923 386435605 /nfs/dbraw/zinc/43/56/05/386435605.db2.gz DQNQKULXRSUPTE-ZYHUDNBSSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@@](C)(CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000408369923 386435603 /nfs/dbraw/zinc/43/56/03/386435603.db2.gz DQNQKULXRSUPTE-ZYHUDNBSSA-N 1 2 244.335 -0.160 20 0 BBADLO C[C@H](C(=O)N1CCC[C@H]1CO)[NH+]1CCOCC1 ZINC000408370484 386464869 /nfs/dbraw/zinc/46/48/69/386464869.db2.gz LQMKAELYWNARIA-MNOVXSKESA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@@H](C(=O)N1CCC[C@H]1CO)[NH+]1CCOCC1 ZINC000408370485 386465198 /nfs/dbraw/zinc/46/51/98/386465198.db2.gz LQMKAELYWNARIA-QWRGUYRKSA-N 1 2 242.319 -0.310 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]2CO)C1 ZINC000408370886 386491633 /nfs/dbraw/zinc/49/16/33/386491633.db2.gz QYRFUIBNFLWIBG-UWVGGRQHSA-N 1 2 228.292 -0.700 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]2CO)C1 ZINC000408370886 386491626 /nfs/dbraw/zinc/49/16/26/386491626.db2.gz QYRFUIBNFLWIBG-UWVGGRQHSA-N 1 2 228.292 -0.700 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2CO)C1 ZINC000408370887 386491952 /nfs/dbraw/zinc/49/19/52/386491952.db2.gz QYRFUIBNFLWIBG-VHSXEESVSA-N 1 2 228.292 -0.700 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2CO)C1 ZINC000408370887 386491950 /nfs/dbraw/zinc/49/19/50/386491950.db2.gz QYRFUIBNFLWIBG-VHSXEESVSA-N 1 2 228.292 -0.700 20 0 BBADLO C[C@@H]1CN(C(=O)c2cnc[nH]2)CC[N@H+]1CCO ZINC000408372962 386595039 /nfs/dbraw/zinc/59/50/39/386595039.db2.gz DWRZNNFPUKJQJB-SECBINFHSA-N 1 2 238.291 -0.452 20 0 BBADLO C[C@@H]1CN(C(=O)c2cnc[nH]2)CC[N@@H+]1CCO ZINC000408372962 386595035 /nfs/dbraw/zinc/59/50/35/386595035.db2.gz DWRZNNFPUKJQJB-SECBINFHSA-N 1 2 238.291 -0.452 20 0 BBADLO C[C@H]1CN(C(=O)c2cnc[nH]2)CC[N@H+]1CCO ZINC000408372963 386594908 /nfs/dbraw/zinc/59/49/08/386594908.db2.gz DWRZNNFPUKJQJB-VIFPVBQESA-N 1 2 238.291 -0.452 20 0 BBADLO C[C@H]1CN(C(=O)c2cnc[nH]2)CC[N@@H+]1CCO ZINC000408372963 386594906 /nfs/dbraw/zinc/59/49/06/386594906.db2.gz DWRZNNFPUKJQJB-VIFPVBQESA-N 1 2 238.291 -0.452 20 0 BBADLO CC(C)c1nnc(C[N@H+]2C[C@@H](O)C[C@H]2CO)[nH]1 ZINC000408377487 385760207 /nfs/dbraw/zinc/76/02/07/385760207.db2.gz XIHKPBZLQLJCQT-IUCAKERBSA-N 1 2 240.307 -0.144 20 0 BBADLO CC(C)c1nnc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)[nH]1 ZINC000408377487 385760205 /nfs/dbraw/zinc/76/02/05/385760205.db2.gz XIHKPBZLQLJCQT-IUCAKERBSA-N 1 2 240.307 -0.144 20 0 BBADLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1nnnn1C ZINC000408382468 385073219 /nfs/dbraw/zinc/07/32/19/385073219.db2.gz RGOYYTSMRHMOPL-AYMMMOKOSA-N 1 2 225.296 -0.056 20 0 BBADLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1nnnn1C ZINC000408382468 385073210 /nfs/dbraw/zinc/07/32/10/385073210.db2.gz RGOYYTSMRHMOPL-AYMMMOKOSA-N 1 2 225.296 -0.056 20 0 BBADLO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1nnnn1C ZINC000408382470 133480803 /nfs/dbraw/zinc/48/08/03/133480803.db2.gz RGOYYTSMRHMOPL-HTQZYQBOSA-N 1 2 225.296 -0.056 20 0 BBADLO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1nnnn1C ZINC000408382471 133481150 /nfs/dbraw/zinc/48/11/50/133481150.db2.gz RGOYYTSMRHMOPL-YUMQZZPRSA-N 1 2 225.296 -0.056 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000408396285 171244429 /nfs/dbraw/zinc/24/44/29/171244429.db2.gz SVECMXYWQHIYJI-IQMYEBEASA-N 1 2 232.349 -0.049 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000408396285 171244427 /nfs/dbraw/zinc/24/44/27/171244427.db2.gz SVECMXYWQHIYJI-IQMYEBEASA-N 1 2 232.349 -0.049 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000408396286 171244875 /nfs/dbraw/zinc/24/48/75/171244875.db2.gz SVECMXYWQHIYJI-KEMUVXCRSA-N 1 2 232.349 -0.049 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000408396286 171244874 /nfs/dbraw/zinc/24/48/74/171244874.db2.gz SVECMXYWQHIYJI-KEMUVXCRSA-N 1 2 232.349 -0.049 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000408396287 171245217 /nfs/dbraw/zinc/24/52/17/171245217.db2.gz SVECMXYWQHIYJI-QQXLSSBLSA-N 1 2 232.349 -0.049 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000408396287 171245216 /nfs/dbraw/zinc/24/52/16/171245216.db2.gz SVECMXYWQHIYJI-QQXLSSBLSA-N 1 2 232.349 -0.049 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000408396288 171245711 /nfs/dbraw/zinc/24/57/11/171245711.db2.gz SVECMXYWQHIYJI-XWRVAKJBSA-N 1 2 232.349 -0.049 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000408396288 171245710 /nfs/dbraw/zinc/24/57/10/171245710.db2.gz SVECMXYWQHIYJI-XWRVAKJBSA-N 1 2 232.349 -0.049 20 0 BBADLO Cn1cc[nH+]c1[C@H]1CN(C(=O)CO)CCN1C ZINC000408396579 133482395 /nfs/dbraw/zinc/48/23/95/133482395.db2.gz ZONVBIKSAUSPDF-SECBINFHSA-N 1 2 238.291 -0.773 20 0 BBADLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)CO)CCN1C ZINC000408396581 133482294 /nfs/dbraw/zinc/48/22/94/133482294.db2.gz ZONVBIKSAUSPDF-VIFPVBQESA-N 1 2 238.291 -0.773 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)N1C[C@@H](O)[C@@H](O)C1 ZINC000408397354 385953209 /nfs/dbraw/zinc/95/32/09/385953209.db2.gz UJWNGXSOGONPDR-AOOOYVTPSA-N 1 2 237.259 -0.619 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)N1C[C@@H](O)[C@H](O)C1 ZINC000408397355 385953950 /nfs/dbraw/zinc/95/39/50/385953950.db2.gz UJWNGXSOGONPDR-NXEZZACHSA-N 1 2 237.259 -0.619 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)N1C[C@H](O)[C@@H](O)C1 ZINC000408397356 385951711 /nfs/dbraw/zinc/95/17/11/385951711.db2.gz UJWNGXSOGONPDR-UWVGGRQHSA-N 1 2 237.259 -0.619 20 0 BBADLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCOC[C@H]1C ZINC000408401678 386196030 /nfs/dbraw/zinc/19/60/30/386196030.db2.gz GIVGUXJBJDFJQO-BDAKNGLRSA-N 1 2 243.307 -0.059 20 0 BBADLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCOC[C@H]1C ZINC000408401678 386196026 /nfs/dbraw/zinc/19/60/26/386196026.db2.gz GIVGUXJBJDFJQO-BDAKNGLRSA-N 1 2 243.307 -0.059 20 0 BBADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCOC[C@@H]1C ZINC000408401679 386194617 /nfs/dbraw/zinc/19/46/17/386194617.db2.gz GIVGUXJBJDFJQO-DTWKUNHWSA-N 1 2 243.307 -0.059 20 0 BBADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCOC[C@@H]1C ZINC000408401679 386194615 /nfs/dbraw/zinc/19/46/15/386194615.db2.gz GIVGUXJBJDFJQO-DTWKUNHWSA-N 1 2 243.307 -0.059 20 0 BBADLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCOC[C@@H]1C ZINC000408401680 386195044 /nfs/dbraw/zinc/19/50/44/386195044.db2.gz GIVGUXJBJDFJQO-IUCAKERBSA-N 1 2 243.307 -0.059 20 0 BBADLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCOC[C@@H]1C ZINC000408401680 386195041 /nfs/dbraw/zinc/19/50/41/386195041.db2.gz GIVGUXJBJDFJQO-IUCAKERBSA-N 1 2 243.307 -0.059 20 0 BBADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCOC[C@H]1C ZINC000408401681 386195933 /nfs/dbraw/zinc/19/59/33/386195933.db2.gz GIVGUXJBJDFJQO-RKDXNWHRSA-N 1 2 243.307 -0.059 20 0 BBADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCOC[C@H]1C ZINC000408401681 386195929 /nfs/dbraw/zinc/19/59/29/386195929.db2.gz GIVGUXJBJDFJQO-RKDXNWHRSA-N 1 2 243.307 -0.059 20 0 BBADLO C[C@H]1C[C@H](O)CN1c1nc2c(cnn2C)c(N)[nH+]1 ZINC000408404999 386324781 /nfs/dbraw/zinc/32/47/81/386324781.db2.gz KSAQSHPBGPCSAU-BQBZGAKWSA-N 1 2 248.290 -0.095 20 0 BBADLO C[C@H]1C[C@@H](O)CN1c1nc2c(cnn2C)c(N)[nH+]1 ZINC000408405001 386325465 /nfs/dbraw/zinc/32/54/65/386325465.db2.gz KSAQSHPBGPCSAU-NKWVEPMBSA-N 1 2 248.290 -0.095 20 0 BBADLO C[C@@H]1C[C@@H](O)CN1c1nc2c(cnn2C)c(N)[nH+]1 ZINC000408405004 386326801 /nfs/dbraw/zinc/32/68/01/386326801.db2.gz KSAQSHPBGPCSAU-RNFRBKRXSA-N 1 2 248.290 -0.095 20 0 BBADLO C[C@@H]1C[C@H](O)CN1c1nc2c(cnn2C)c(N)[nH+]1 ZINC000408405007 386326545 /nfs/dbraw/zinc/32/65/45/386326545.db2.gz KSAQSHPBGPCSAU-RQJHMYQMSA-N 1 2 248.290 -0.095 20 0 BBADLO Cn1ncc2c1nc(N1CC[C@@H](O)C1)[nH+]c2N ZINC000408405167 385142282 /nfs/dbraw/zinc/14/22/82/385142282.db2.gz LLGYQQZAPHHZKU-ZCFIWIBFSA-N 1 2 234.263 -0.484 20 0 BBADLO Cn1ncc2c1nc(N1CC[C@@H](CO)C1)[nH+]c2N ZINC000408407934 386409224 /nfs/dbraw/zinc/40/92/24/386409224.db2.gz XJSOBFFXSLSRNB-SSDOTTSWSA-N 1 2 248.290 -0.236 20 0 BBADLO Cn1ncc2c1nc(N1CC[C@H](CO)C1)[nH+]c2N ZINC000408407938 386404724 /nfs/dbraw/zinc/40/47/24/386404724.db2.gz XJSOBFFXSLSRNB-ZETCQYMHSA-N 1 2 248.290 -0.236 20 0 BBADLO C[C@@H]1C[C@@H](C(=O)NCC[NH+]2CCOCC2)CO1 ZINC000408418820 385197922 /nfs/dbraw/zinc/19/79/22/385197922.db2.gz CPDRQQGBXYWDCV-GHMZBOCLSA-N 1 2 242.319 -0.140 20 0 BBADLO C[C@@H]1C[C@H](C(=O)NCC[NH+]2CCOCC2)CO1 ZINC000408418821 386561614 /nfs/dbraw/zinc/56/16/14/386561614.db2.gz CPDRQQGBXYWDCV-MNOVXSKESA-N 1 2 242.319 -0.140 20 0 BBADLO C[C@H]1C[C@H](C(=O)NCC[NH+]2CCOCC2)CO1 ZINC000408418822 386560027 /nfs/dbraw/zinc/56/00/27/386560027.db2.gz CPDRQQGBXYWDCV-QWRGUYRKSA-N 1 2 242.319 -0.140 20 0 BBADLO C[C@H]1C[C@@H](C(=O)NCC[NH+]2CCOCC2)CO1 ZINC000408418823 386561430 /nfs/dbraw/zinc/56/14/30/386561430.db2.gz CPDRQQGBXYWDCV-WDEREUQCSA-N 1 2 242.319 -0.140 20 0 BBADLO Cn1ncc2c1nc(N1CCC(O)CC1)[nH+]c2N ZINC000408420686 386564107 /nfs/dbraw/zinc/56/41/07/386564107.db2.gz YZNAIDPZZBGYLF-UHFFFAOYSA-N 1 2 248.290 -0.093 20 0 BBADLO Cn1ncc2c1nc(N1CC[C@H](O)C1)[nH+]c2N ZINC000408421547 386568470 /nfs/dbraw/zinc/56/84/70/386568470.db2.gz LLGYQQZAPHHZKU-LURJTMIESA-N 1 2 234.263 -0.484 20 0 BBADLO CC[C@@H](F)C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000408421951 385212247 /nfs/dbraw/zinc/21/22/47/385212247.db2.gz CYRJPPSEBDQWLO-HTQZYQBOSA-N 1 2 204.245 -0.079 20 0 BBADLO CC[C@@H](F)C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000408421951 385212242 /nfs/dbraw/zinc/21/22/42/385212242.db2.gz CYRJPPSEBDQWLO-HTQZYQBOSA-N 1 2 204.245 -0.079 20 0 BBADLO CC[C@H](F)C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000408421952 386567799 /nfs/dbraw/zinc/56/77/99/386567799.db2.gz CYRJPPSEBDQWLO-JGVFFNPUSA-N 1 2 204.245 -0.079 20 0 BBADLO CC[C@H](F)C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000408421952 386567797 /nfs/dbraw/zinc/56/77/97/386567797.db2.gz CYRJPPSEBDQWLO-JGVFFNPUSA-N 1 2 204.245 -0.079 20 0 BBADLO CC[C@@H](F)C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000408421953 386568053 /nfs/dbraw/zinc/56/80/53/386568053.db2.gz CYRJPPSEBDQWLO-SFYZADRCSA-N 1 2 204.245 -0.079 20 0 BBADLO CC[C@@H](F)C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000408421953 386568051 /nfs/dbraw/zinc/56/80/51/386568051.db2.gz CYRJPPSEBDQWLO-SFYZADRCSA-N 1 2 204.245 -0.079 20 0 BBADLO CC[C@H](F)C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000408421954 386567833 /nfs/dbraw/zinc/56/78/33/386567833.db2.gz CYRJPPSEBDQWLO-YUMQZZPRSA-N 1 2 204.245 -0.079 20 0 BBADLO CC[C@H](F)C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000408421954 386567830 /nfs/dbraw/zinc/56/78/30/386567830.db2.gz CYRJPPSEBDQWLO-YUMQZZPRSA-N 1 2 204.245 -0.079 20 0 BBADLO Cn1nnnc1C[NH2+]C1(C(N)=O)CCCCC1 ZINC000408421970 386569142 /nfs/dbraw/zinc/56/91/42/386569142.db2.gz DHUINJBAAUPRFN-UHFFFAOYSA-N 1 2 238.295 -0.512 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)N(CCO)C2CCC2)C1 ZINC000408422044 386567733 /nfs/dbraw/zinc/56/77/33/386567733.db2.gz PBIREMIDHAUILY-LLVKDONJSA-N 1 2 242.319 -0.310 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)N(CCO)C2CCC2)C1 ZINC000408422044 386567730 /nfs/dbraw/zinc/56/77/30/386567730.db2.gz PBIREMIDHAUILY-LLVKDONJSA-N 1 2 242.319 -0.310 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)N(CCO)C2CCC2)C1 ZINC000408422045 386567677 /nfs/dbraw/zinc/56/76/77/386567677.db2.gz PBIREMIDHAUILY-NSHDSACASA-N 1 2 242.319 -0.310 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)N(CCO)C2CCC2)C1 ZINC000408422045 386567674 /nfs/dbraw/zinc/56/76/74/386567674.db2.gz PBIREMIDHAUILY-NSHDSACASA-N 1 2 242.319 -0.310 20 0 BBADLO C[NH+](C)CC(=O)NC1(c2nn[nH]n2)CCCC1 ZINC000408425178 386576439 /nfs/dbraw/zinc/57/64/39/386576439.db2.gz FFFLTKORDAWNIQ-UHFFFAOYSA-N 1 2 238.295 -0.353 20 0 BBADLO C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H]1CO ZINC000408427176 386578976 /nfs/dbraw/zinc/57/89/76/386578976.db2.gz MTMOCODILPWYTL-GMTAPVOTSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@@H]1CO ZINC000408427176 386578971 /nfs/dbraw/zinc/57/89/71/386578971.db2.gz MTMOCODILPWYTL-GMTAPVOTSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H]1CO ZINC000408427178 386579019 /nfs/dbraw/zinc/57/90/19/386579019.db2.gz MTMOCODILPWYTL-MXWKQRLJSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H]1CO ZINC000408427178 386579013 /nfs/dbraw/zinc/57/90/13/386579013.db2.gz MTMOCODILPWYTL-MXWKQRLJSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1CO ZINC000408427179 386579098 /nfs/dbraw/zinc/57/90/98/386579098.db2.gz MTMOCODILPWYTL-OUAUKWLOSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1CO ZINC000408427179 386579096 /nfs/dbraw/zinc/57/90/96/386579096.db2.gz MTMOCODILPWYTL-OUAUKWLOSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1CO ZINC000408427180 386579126 /nfs/dbraw/zinc/57/91/26/386579126.db2.gz MTMOCODILPWYTL-VWYCJHECSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1CO ZINC000408427180 386579123 /nfs/dbraw/zinc/57/91/23/386579123.db2.gz MTMOCODILPWYTL-VWYCJHECSA-N 1 2 242.319 -0.454 20 0 BBADLO CCc1noc([C@H](C)[N@@H+]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000408442562 386765177 /nfs/dbraw/zinc/76/51/77/386765177.db2.gz MCMRXYQSLKDJCH-BIIVOSGPSA-N 1 2 227.264 -0.270 20 0 BBADLO CCc1noc([C@H](C)[N@H+]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000408442562 386765174 /nfs/dbraw/zinc/76/51/74/386765174.db2.gz MCMRXYQSLKDJCH-BIIVOSGPSA-N 1 2 227.264 -0.270 20 0 BBADLO CCc1noc([C@H](C)[NH+]2C[C@H](O)[C@@H](O)C2)n1 ZINC000408442565 386765946 /nfs/dbraw/zinc/76/59/46/386765946.db2.gz MCMRXYQSLKDJCH-FXQIFTODSA-N 1 2 227.264 -0.270 20 0 BBADLO CCc1noc([C@@H](C)[N@@H+]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000408442567 386765220 /nfs/dbraw/zinc/76/52/20/386765220.db2.gz MCMRXYQSLKDJCH-PRJMDXOYSA-N 1 2 227.264 -0.270 20 0 BBADLO CCc1noc([C@@H](C)[N@H+]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000408442567 386765212 /nfs/dbraw/zinc/76/52/12/386765212.db2.gz MCMRXYQSLKDJCH-PRJMDXOYSA-N 1 2 227.264 -0.270 20 0 BBADLO CCc1noc([C@H](C)[NH+]2C[C@@H](O)[C@H](O)C2)n1 ZINC000408442568 133493409 /nfs/dbraw/zinc/49/34/09/133493409.db2.gz MCMRXYQSLKDJCH-XLPZGREQSA-N 1 2 227.264 -0.270 20 0 BBADLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000408444962 386799392 /nfs/dbraw/zinc/79/93/92/386799392.db2.gz WWFTVXBRVYIELK-CNUIFLNQSA-N 1 2 239.279 -0.894 20 0 BBADLO C[C@@H](c1nnnn1C1CC1)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000408444962 386799388 /nfs/dbraw/zinc/79/93/88/386799388.db2.gz WWFTVXBRVYIELK-CNUIFLNQSA-N 1 2 239.279 -0.894 20 0 BBADLO C[C@H](c1nnnn1C1CC1)[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000408444965 386792032 /nfs/dbraw/zinc/79/20/32/386792032.db2.gz WWFTVXBRVYIELK-FTLITQJKSA-N 1 2 239.279 -0.894 20 0 BBADLO C[C@H](c1nnnn1C1CC1)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000408444967 386793415 /nfs/dbraw/zinc/79/34/15/386793415.db2.gz WWFTVXBRVYIELK-VDAHYXPESA-N 1 2 239.279 -0.894 20 0 BBADLO C[C@H](c1nnnn1C1CC1)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000408444967 386793407 /nfs/dbraw/zinc/79/34/07/386793407.db2.gz WWFTVXBRVYIELK-VDAHYXPESA-N 1 2 239.279 -0.894 20 0 BBADLO C[C@H](c1nnnn1C1CC1)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000408444970 385307415 /nfs/dbraw/zinc/30/74/15/385307415.db2.gz WWFTVXBRVYIELK-YEPSODPASA-N 1 2 239.279 -0.894 20 0 BBADLO CC[C@](C)(O)C[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000408445089 386792724 /nfs/dbraw/zinc/79/27/24/386792724.db2.gz XNXHEQQDVSLKJV-JTQLQIEISA-N 1 2 226.280 -0.040 20 0 BBADLO CC[C@](C)(O)C[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000408445089 386792715 /nfs/dbraw/zinc/79/27/15/386792715.db2.gz XNXHEQQDVSLKJV-JTQLQIEISA-N 1 2 226.280 -0.040 20 0 BBADLO CC[C@@](C)(O)C[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000408445092 386793358 /nfs/dbraw/zinc/79/33/58/386793358.db2.gz XNXHEQQDVSLKJV-SNVBAGLBSA-N 1 2 226.280 -0.040 20 0 BBADLO CC[C@@](C)(O)C[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000408445092 386793353 /nfs/dbraw/zinc/79/33/53/386793353.db2.gz XNXHEQQDVSLKJV-SNVBAGLBSA-N 1 2 226.280 -0.040 20 0 BBADLO C[C@@H]1C[N@@H+](CC(N)=O)CC2(CCOCC2)O1 ZINC000408449091 385323538 /nfs/dbraw/zinc/32/35/38/385323538.db2.gz ADKOHFCPDWTLPV-SECBINFHSA-N 1 2 228.292 -0.258 20 0 BBADLO C[C@@H]1C[N@H+](CC(N)=O)CC2(CCOCC2)O1 ZINC000408449091 385323532 /nfs/dbraw/zinc/32/35/32/385323532.db2.gz ADKOHFCPDWTLPV-SECBINFHSA-N 1 2 228.292 -0.258 20 0 BBADLO C[C@H]1C[N@@H+](CC(N)=O)CC2(CCOCC2)O1 ZINC000408449092 386841105 /nfs/dbraw/zinc/84/11/05/386841105.db2.gz ADKOHFCPDWTLPV-VIFPVBQESA-N 1 2 228.292 -0.258 20 0 BBADLO C[C@H]1C[N@H+](CC(N)=O)CC2(CCOCC2)O1 ZINC000408449092 386841095 /nfs/dbraw/zinc/84/10/95/386841095.db2.gz ADKOHFCPDWTLPV-VIFPVBQESA-N 1 2 228.292 -0.258 20 0 BBADLO CC(C)(C)[C@H]1C[N@@H+](CC(=O)NC(N)=O)CCO1 ZINC000408453682 385669740 /nfs/dbraw/zinc/66/97/40/385669740.db2.gz VIRFTAZPFGWBIH-MRVPVSSYSA-N 1 2 243.307 -0.072 20 0 BBADLO CC(C)(C)[C@H]1C[N@H+](CC(=O)NC(N)=O)CCO1 ZINC000408453682 385669732 /nfs/dbraw/zinc/66/97/32/385669732.db2.gz VIRFTAZPFGWBIH-MRVPVSSYSA-N 1 2 243.307 -0.072 20 0 BBADLO CC(C)(C)[C@@H]1C[N@@H+](CC(=O)NC(N)=O)CCO1 ZINC000408453683 385668439 /nfs/dbraw/zinc/66/84/39/385668439.db2.gz VIRFTAZPFGWBIH-QMMMGPOBSA-N 1 2 243.307 -0.072 20 0 BBADLO CC(C)(C)[C@@H]1C[N@H+](CC(=O)NC(N)=O)CCO1 ZINC000408453683 385668434 /nfs/dbraw/zinc/66/84/34/385668434.db2.gz VIRFTAZPFGWBIH-QMMMGPOBSA-N 1 2 243.307 -0.072 20 0 BBADLO CC(C)[N@@H+](CCNS(C)(=O)=O)C1COC1 ZINC000408456165 385347610 /nfs/dbraw/zinc/34/76/10/385347610.db2.gz GLTYASCHUORXTK-UHFFFAOYSA-N 1 2 236.337 -0.355 20 0 BBADLO CC(C)[N@H+](CCNS(C)(=O)=O)C1COC1 ZINC000408456165 385347607 /nfs/dbraw/zinc/34/76/07/385347607.db2.gz GLTYASCHUORXTK-UHFFFAOYSA-N 1 2 236.337 -0.355 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+](C(C)C)C1COC1 ZINC000408456298 385694394 /nfs/dbraw/zinc/69/43/94/385694394.db2.gz HKMLEBDNNAGBJP-UHFFFAOYSA-N 1 2 229.280 -0.449 20 0 BBADLO CNC(=O)NC(=O)C[N@H+](C(C)C)C1COC1 ZINC000408456298 385694384 /nfs/dbraw/zinc/69/43/84/385694384.db2.gz HKMLEBDNNAGBJP-UHFFFAOYSA-N 1 2 229.280 -0.449 20 0 BBADLO CC(=O)[C@](C)(O)C[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000408459007 385725324 /nfs/dbraw/zinc/72/53/24/385725324.db2.gz WITHXFXLVWBRDP-GFCCVEGCSA-N 1 2 240.303 -0.367 20 0 BBADLO CC(=O)[C@](C)(O)C[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000408459007 385725318 /nfs/dbraw/zinc/72/53/18/385725318.db2.gz WITHXFXLVWBRDP-GFCCVEGCSA-N 1 2 240.303 -0.367 20 0 BBADLO CC(=O)[C@@](C)(O)C[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000408459009 385725205 /nfs/dbraw/zinc/72/52/05/385725205.db2.gz WITHXFXLVWBRDP-LBPRGKRZSA-N 1 2 240.303 -0.367 20 0 BBADLO CC(=O)[C@@](C)(O)C[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000408459009 385725202 /nfs/dbraw/zinc/72/52/02/385725202.db2.gz WITHXFXLVWBRDP-LBPRGKRZSA-N 1 2 240.303 -0.367 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N[C@H]1C[C@@H](O)C1 ZINC000408471975 345329798 /nfs/dbraw/zinc/32/97/98/345329798.db2.gz UBIBETKRKNYLOA-AEJSXWLSSA-N 1 2 228.292 -0.653 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@H]1C[C@@H](O)C1 ZINC000408471975 345329796 /nfs/dbraw/zinc/32/97/96/345329796.db2.gz UBIBETKRKNYLOA-AEJSXWLSSA-N 1 2 228.292 -0.653 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H](O)C1 ZINC000408471976 345329692 /nfs/dbraw/zinc/32/96/92/345329692.db2.gz UBIBETKRKNYLOA-KXUCPTDWSA-N 1 2 228.292 -0.653 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H](O)C1 ZINC000408471976 345329690 /nfs/dbraw/zinc/32/96/90/345329690.db2.gz UBIBETKRKNYLOA-KXUCPTDWSA-N 1 2 228.292 -0.653 20 0 BBADLO CCCNC(=O)[C@H](C)[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000412062624 191256861 /nfs/dbraw/zinc/25/68/61/191256861.db2.gz CAGAYLFAMZETHH-AXFHLTTASA-N 1 2 244.335 -0.017 20 0 BBADLO CCCNC(=O)[C@H](C)[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000412062624 191256857 /nfs/dbraw/zinc/25/68/57/191256857.db2.gz CAGAYLFAMZETHH-AXFHLTTASA-N 1 2 244.335 -0.017 20 0 BBADLO CCCNC(=O)[C@H](C)[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412062630 191257283 /nfs/dbraw/zinc/25/72/83/191257283.db2.gz CAGAYLFAMZETHH-DCAQKATOSA-N 1 2 244.335 -0.017 20 0 BBADLO CCCNC(=O)[C@H](C)[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412062630 191257279 /nfs/dbraw/zinc/25/72/79/191257279.db2.gz CAGAYLFAMZETHH-DCAQKATOSA-N 1 2 244.335 -0.017 20 0 BBADLO CCCNC(=O)[C@H](C)[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412062631 191257170 /nfs/dbraw/zinc/25/71/70/191257170.db2.gz CAGAYLFAMZETHH-GARJFASQSA-N 1 2 244.335 -0.017 20 0 BBADLO CCCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412062631 191257168 /nfs/dbraw/zinc/25/71/68/191257168.db2.gz CAGAYLFAMZETHH-GARJFASQSA-N 1 2 244.335 -0.017 20 0 BBADLO CCCNC(=O)[C@H](C)[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000412062633 191257677 /nfs/dbraw/zinc/25/76/77/191257677.db2.gz CAGAYLFAMZETHH-HBNTYKKESA-N 1 2 244.335 -0.017 20 0 BBADLO CCCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000412062633 191257675 /nfs/dbraw/zinc/25/76/75/191257675.db2.gz CAGAYLFAMZETHH-HBNTYKKESA-N 1 2 244.335 -0.017 20 0 BBADLO COC(=O)C[N@H+]1CCSC[C@H](C(=O)OC)C1 ZINC000412075207 191253311 /nfs/dbraw/zinc/25/33/11/191253311.db2.gz MHPGXAAEBAQMHC-MRVPVSSYSA-N 1 2 247.316 -0.003 20 0 BBADLO COC(=O)C[N@@H+]1CCSC[C@H](C(=O)OC)C1 ZINC000412075207 191253310 /nfs/dbraw/zinc/25/33/10/191253310.db2.gz MHPGXAAEBAQMHC-MRVPVSSYSA-N 1 2 247.316 -0.003 20 0 BBADLO COC(=O)C[N@H+]1CCSC[C@@H](C(=O)OC)C1 ZINC000412075224 191253546 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CCN(C)C(=O)C[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412104034 191261551 /nfs/dbraw/zinc/26/15/51/191261551.db2.gz ZSOYRCVWQSAUFV-UWVGGRQHSA-N 1 2 230.308 -0.454 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412104034 191261550 /nfs/dbraw/zinc/26/15/50/191261550.db2.gz ZSOYRCVWQSAUFV-UWVGGRQHSA-N 1 2 230.308 -0.454 20 0 BBADLO CCN(C)C(=O)C[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412104035 191261958 /nfs/dbraw/zinc/26/19/58/191261958.db2.gz ZSOYRCVWQSAUFV-VHSXEESVSA-N 1 2 230.308 -0.454 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412104035 191261956 /nfs/dbraw/zinc/26/19/56/191261956.db2.gz ZSOYRCVWQSAUFV-VHSXEESVSA-N 1 2 230.308 -0.454 20 0 BBADLO CCN(C)C(=O)C[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000412104036 191262241 /nfs/dbraw/zinc/26/22/41/191262241.db2.gz ZSOYRCVWQSAUFV-ZJUUUORDSA-N 1 2 230.308 -0.454 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000412104036 191262239 /nfs/dbraw/zinc/26/22/39/191262239.db2.gz ZSOYRCVWQSAUFV-ZJUUUORDSA-N 1 2 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OQVTWUMBIUEJBV-VHSXEESVSA-N 1 2 241.291 -0.030 20 0 BBADLO CCC[C@H](O)[C@@H](CO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000412533678 191293116 /nfs/dbraw/zinc/29/31/16/191293116.db2.gz OQVTWUMBIUEJBV-ZJUUUORDSA-N 1 2 241.291 -0.030 20 0 BBADLO CN(CC(N)=O)c1cc(NC2CC2)nc[nH+]1 ZINC000413054786 191350939 /nfs/dbraw/zinc/35/09/39/191350939.db2.gz OSJUUPZFRLQJGP-UHFFFAOYSA-N 1 2 221.264 -0.028 20 0 BBADLO CN(CC(N)=O)c1cc(NC2CC2)[nH+]cn1 ZINC000413054786 191350937 /nfs/dbraw/zinc/35/09/37/191350937.db2.gz OSJUUPZFRLQJGP-UHFFFAOYSA-N 1 2 221.264 -0.028 20 0 BBADLO OCC(CO)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413159349 191363600 /nfs/dbraw/zinc/36/36/00/191363600.db2.gz CAJDRXWISGPVRD-UHFFFAOYSA-N 1 2 224.264 -0.184 20 0 BBADLO OCC(CO)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413159349 191363599 /nfs/dbraw/zinc/36/35/99/191363599.db2.gz CAJDRXWISGPVRD-UHFFFAOYSA-N 1 2 224.264 -0.184 20 0 BBADLO OC[C@H](O)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413190699 191362291 /nfs/dbraw/zinc/36/22/91/191362291.db2.gz FEPUOGBOTIFCFU-MRVPVSSYSA-N 1 2 224.264 -0.184 20 0 BBADLO OC[C@H](O)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413190699 191362289 /nfs/dbraw/zinc/36/22/89/191362289.db2.gz FEPUOGBOTIFCFU-MRVPVSSYSA-N 1 2 224.264 -0.184 20 0 BBADLO OC[C@@H](O)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413190702 191361943 /nfs/dbraw/zinc/36/19/43/191361943.db2.gz FEPUOGBOTIFCFU-QMMMGPOBSA-N 1 2 224.264 -0.184 20 0 BBADLO OC[C@@H](O)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413190702 191361942 /nfs/dbraw/zinc/36/19/42/191361942.db2.gz FEPUOGBOTIFCFU-QMMMGPOBSA-N 1 2 224.264 -0.184 20 0 BBADLO Cc1nc(N[C@@H]2CCC[C@H]2O)nc(N(C)C)[nH+]1 ZINC000413375431 411769411 /nfs/dbraw/zinc/76/94/11/411769411.db2.gz SXKIYLNGAYGOKQ-RKDXNWHRSA-N 1 2 237.307 0.571 20 0 BBADLO Cc1nc(N(C)C)nc(N[C@@H]2CCC[C@H]2O)[nH+]1 ZINC000413375431 411769407 /nfs/dbraw/zinc/76/94/07/411769407.db2.gz SXKIYLNGAYGOKQ-RKDXNWHRSA-N 1 2 237.307 0.571 20 0 BBADLO C[C@@H](O)[C@@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000413444043 411833419 /nfs/dbraw/zinc/83/34/19/411833419.db2.gz FNBNEDRXCVJLEP-VXNVDRBHSA-N 1 2 223.276 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243.307 -0.959 20 0 BBADLO CC[C@@H](O)CNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000420626950 411732075 /nfs/dbraw/zinc/73/20/75/411732075.db2.gz MRJGAPBDXJEDNO-DTWKUNHWSA-N 1 2 240.307 0.452 20 0 BBADLO CC[C@@H](O)CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000420626950 411732071 /nfs/dbraw/zinc/73/20/71/411732071.db2.gz MRJGAPBDXJEDNO-DTWKUNHWSA-N 1 2 240.307 0.452 20 0 BBADLO CC[C@@H](O)CNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000420626951 411732694 /nfs/dbraw/zinc/73/26/94/411732694.db2.gz MRJGAPBDXJEDNO-RKDXNWHRSA-N 1 2 240.307 0.452 20 0 BBADLO CC[C@@H](O)CNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000420626951 411732692 /nfs/dbraw/zinc/73/26/92/411732692.db2.gz MRJGAPBDXJEDNO-RKDXNWHRSA-N 1 2 240.307 0.452 20 0 BBADLO C[C@@H](O)[C@@H](CO)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000424061820 387474904 /nfs/dbraw/zinc/47/49/04/387474904.db2.gz TZXUNNULWIETPR-PSASIEDQSA-N 1 2 249.270 -0.194 20 0 BBADLO O=C(NCC[NH+]1CCOCC1)N[C@@H]1CC[C@H]1O ZINC000424064590 387473372 /nfs/dbraw/zinc/47/33/72/387473372.db2.gz OUHPBKQHSOMCMF-NXEZZACHSA-N 1 2 243.307 -0.859 20 0 BBADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1CC[C@H]1O ZINC000424065218 387476118 /nfs/dbraw/zinc/47/61/18/387476118.db2.gz LJCPLBYCIQQYHD-RKDXNWHRSA-N 1 2 224.264 -0.294 20 0 BBADLO COC[C@H](O)C[NH+]1CC(O)(C(F)F)C1 ZINC000424131354 206032245 /nfs/dbraw/zinc/03/22/45/206032245.db2.gz GKJJHVPOWZPFOD-ZCFIWIBFSA-N 1 2 211.208 -0.695 20 0 BBADLO O[C@@H](Cn1cccn1)C[NH+]1CC(O)(C(F)F)C1 ZINC000424134966 387649036 /nfs/dbraw/zinc/64/90/36/387649036.db2.gz LKAYJSYPBOJPFG-MRVPVSSYSA-N 1 2 247.245 -0.444 20 0 BBADLO O[C@H](Cn1cccn1)C[NH+]1CC(O)(C(F)F)C1 ZINC000424134967 387648630 /nfs/dbraw/zinc/64/86/30/387648630.db2.gz LKAYJSYPBOJPFG-QMMMGPOBSA-N 1 2 247.245 -0.444 20 0 BBADLO COC(=O)C1(C)C[NH+](C[C@@H](C)S(C)(=O)=O)C1 ZINC000424138113 387667234 /nfs/dbraw/zinc/66/72/34/387667234.db2.gz TWXAJVGAEDACFX-MRVPVSSYSA-N 1 2 249.332 -0.086 20 0 BBADLO COC(=O)C1(C)C[NH+](C[C@H](C)S(C)(=O)=O)C1 ZINC000424138143 387670745 /nfs/dbraw/zinc/67/07/45/387670745.db2.gz TWXAJVGAEDACFX-QMMMGPOBSA-N 1 2 249.332 -0.086 20 0 BBADLO CCOC[C@H](O)C[NH+]1CC(O)(C(F)F)C1 ZINC000424142593 387734380 /nfs/dbraw/zinc/73/43/80/387734380.db2.gz VGVCXZUKIWDNSU-SSDOTTSWSA-N 1 2 225.235 -0.304 20 0 BBADLO CCOC[C@@H](O)C[NH+]1CC(O)(C(F)F)C1 ZINC000424142598 387735763 /nfs/dbraw/zinc/73/57/63/387735763.db2.gz VGVCXZUKIWDNSU-ZETCQYMHSA-N 1 2 225.235 -0.304 20 0 BBADLO CCc1ncc(NC(=O)[C@H]2COCC[NH2+]2)cn1 ZINC000424169579 387865351 /nfs/dbraw/zinc/86/53/51/387865351.db2.gz AEVUTBOAWSZDGA-SECBINFHSA-N 1 2 236.275 -0.034 20 0 BBADLO CCc1ncc(NC(=O)[C@@H]2COCC[NH2+]2)cn1 ZINC000424169582 387864440 /nfs/dbraw/zinc/86/44/40/387864440.db2.gz AEVUTBOAWSZDGA-VIFPVBQESA-N 1 2 236.275 -0.034 20 0 BBADLO COCC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424170028 200875461 /nfs/dbraw/zinc/87/54/61/200875461.db2.gz KAWNPLXTFRQGNA-SSDOTTSWSA-N 1 2 222.235 -0.006 20 0 BBADLO COCC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424170035 387864298 /nfs/dbraw/zinc/86/42/98/387864298.db2.gz KAWNPLXTFRQGNA-ZETCQYMHSA-N 1 2 222.235 -0.006 20 0 BBADLO Cc1c[nH+]c(CNc2n[nH]c(N(C)C)n2)n1C ZINC000424180231 411737538 /nfs/dbraw/zinc/73/75/38/411737538.db2.gz NMOYUWPSOFEFSW-UHFFFAOYSA-N 1 2 235.295 0.525 20 0 BBADLO Cc1c[nH+]c(CNc2nc(N(C)C)n[nH]2)n1C ZINC000424180231 411737533 /nfs/dbraw/zinc/73/75/33/411737533.db2.gz NMOYUWPSOFEFSW-UHFFFAOYSA-N 1 2 235.295 0.525 20 0 BBADLO CNc1ccc(NC(=O)[C@H]2COCC[NH2+]2)cn1 ZINC000424180856 412313360 /nfs/dbraw/zinc/31/33/60/412313360.db2.gz WPEOMNVSXHWFSZ-SECBINFHSA-N 1 2 236.275 0.050 20 0 BBADLO CNc1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cn1 ZINC000424180858 412311945 /nfs/dbraw/zinc/31/19/45/412311945.db2.gz WPEOMNVSXHWFSZ-VIFPVBQESA-N 1 2 236.275 0.050 20 0 BBADLO CN(C(=O)[C@H]1COCC[NH2+]1)c1ccn(C)n1 ZINC000424183261 387897882 /nfs/dbraw/zinc/89/78/82/387897882.db2.gz BERSOYWVZCSYDK-MRVPVSSYSA-N 1 2 224.264 -0.629 20 0 BBADLO CN(C(=O)[C@@H]1COCC[NH2+]1)c1ccn(C)n1 ZINC000424183262 387898083 /nfs/dbraw/zinc/89/80/83/387898083.db2.gz BERSOYWVZCSYDK-QMMMGPOBSA-N 1 2 224.264 -0.629 20 0 BBADLO C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)c1ccn(C)n1 ZINC000424183650 387897894 /nfs/dbraw/zinc/89/78/94/387897894.db2.gz BRIBNBJEHDJIHJ-SCZZXKLOSA-N 1 2 238.291 -0.240 20 0 BBADLO O=C(Nc1ccc2nncn2c1)[C@H]1COCC[NH2+]1 ZINC000424184440 387896610 /nfs/dbraw/zinc/89/66/10/387896610.db2.gz XKMNWWLGSVCXFH-SECBINFHSA-N 1 2 247.258 -0.344 20 0 BBADLO O=C(Nc1ccc2nncn2c1)[C@@H]1COCC[NH2+]1 ZINC000424184441 200881112 /nfs/dbraw/zinc/88/11/12/200881112.db2.gz XKMNWWLGSVCXFH-VIFPVBQESA-N 1 2 247.258 -0.344 20 0 BBADLO Cc1nnc(NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)n1C ZINC000424193514 206035575 /nfs/dbraw/zinc/03/55/75/206035575.db2.gz UULPCCLTZIAZRJ-SVRRBLITSA-N 1 2 239.279 -0.561 20 0 BBADLO C[C@]1(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)C[C@H]1F ZINC000424735071 387263242 /nfs/dbraw/zinc/26/32/42/387263242.db2.gz KSXLPIAFISDYIY-FOGDFJRCSA-N 1 2 241.310 -0.150 20 0 BBADLO C[C@]1(C(=O)NC[C@H]2C[NH+]3CCN2CC3)C[C@@H]1F ZINC000424735072 387263682 /nfs/dbraw/zinc/26/36/82/387263682.db2.gz KSXLPIAFISDYIY-NHCYSSNCSA-N 1 2 241.310 -0.150 20 0 BBADLO C[C@]1(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)C[C@@H]1F ZINC000424735073 387263918 /nfs/dbraw/zinc/26/39/18/387263918.db2.gz KSXLPIAFISDYIY-SCVCMEIPSA-N 1 2 241.310 -0.150 20 0 BBADLO C[C@]1(C(=O)NC[C@H]2C[NH+]3CCN2CC3)C[C@H]1F ZINC000424735074 200956354 /nfs/dbraw/zinc/95/63/54/200956354.db2.gz KSXLPIAFISDYIY-UMNHJUIQSA-N 1 2 241.310 -0.150 20 0 BBADLO CC(C)(C(=O)N[C@@H]1CC[C@H]1O)[NH+]1CCOCC1 ZINC000425039597 192069787 /nfs/dbraw/zinc/06/97/87/192069787.db2.gz BWCFVMSOTIWZSQ-NXEZZACHSA-N 1 2 242.319 -0.263 20 0 BBADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CC[C@H]1O ZINC000425045946 192071486 /nfs/dbraw/zinc/07/14/86/192071486.db2.gz LEVKRTRHGVAQPO-RKDXNWHRSA-N 1 2 209.249 -0.087 20 0 BBADLO COC(=O)C1(C)C[NH+](Cc2cnnn2C)C1 ZINC000425372164 387011460 /nfs/dbraw/zinc/01/14/60/387011460.db2.gz IMVGDSQHRIYPKX-UHFFFAOYSA-N 1 2 224.264 -0.190 20 0 BBADLO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425411147 385988262 /nfs/dbraw/zinc/98/82/62/385988262.db2.gz XURSRWHFFGUTJM-MRVPVSSYSA-N 1 2 227.308 -0.197 20 0 BBADLO C[N@H+](CC(N)=O)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425411147 385988259 /nfs/dbraw/zinc/98/82/59/385988259.db2.gz XURSRWHFFGUTJM-MRVPVSSYSA-N 1 2 227.308 -0.197 20 0 BBADLO C[N@@H+](CC(N)=O)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425411148 385988739 /nfs/dbraw/zinc/98/87/39/385988739.db2.gz XURSRWHFFGUTJM-QMMMGPOBSA-N 1 2 227.308 -0.197 20 0 BBADLO C[N@H+](CC(N)=O)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425411148 385988733 /nfs/dbraw/zinc/98/87/33/385988733.db2.gz XURSRWHFFGUTJM-QMMMGPOBSA-N 1 2 227.308 -0.197 20 0 BBADLO CCC(=O)N1CC[N@@H+](C[C@H]2COCCO2)C1 ZINC000425505049 386285376 /nfs/dbraw/zinc/28/53/76/386285376.db2.gz AHTFSKNHMBGZLP-JTQLQIEISA-N 1 2 228.292 -0.087 20 0 BBADLO CCC(=O)N1CC[N@H+](C[C@H]2COCCO2)C1 ZINC000425505049 386285369 /nfs/dbraw/zinc/28/53/69/386285369.db2.gz AHTFSKNHMBGZLP-JTQLQIEISA-N 1 2 228.292 -0.087 20 0 BBADLO CCC(=O)N1CC[N@@H+](C[C@@H]2COCCO2)C1 ZINC000425505051 386285720 /nfs/dbraw/zinc/28/57/20/386285720.db2.gz AHTFSKNHMBGZLP-SNVBAGLBSA-N 1 2 228.292 -0.087 20 0 BBADLO CCC(=O)N1CC[N@H+](C[C@@H]2COCCO2)C1 ZINC000425505051 386285715 /nfs/dbraw/zinc/28/57/15/386285715.db2.gz AHTFSKNHMBGZLP-SNVBAGLBSA-N 1 2 228.292 -0.087 20 0 BBADLO CCC(=O)N1CC[N@@H+](C[C@@H](O)COC)C1 ZINC000425506069 386285778 /nfs/dbraw/zinc/28/57/78/386285778.db2.gz CQQGIYXFARCGBI-SECBINFHSA-N 1 2 216.281 -0.495 20 0 BBADLO CCC(=O)N1CC[N@H+](C[C@@H](O)COC)C1 ZINC000425506069 386285772 /nfs/dbraw/zinc/28/57/72/386285772.db2.gz CQQGIYXFARCGBI-SECBINFHSA-N 1 2 216.281 -0.495 20 0 BBADLO CCC(=O)N1CC[N@@H+](C[C@H](O)COC)C1 ZINC000425506070 386284603 /nfs/dbraw/zinc/28/46/03/386284603.db2.gz CQQGIYXFARCGBI-VIFPVBQESA-N 1 2 216.281 -0.495 20 0 BBADLO CCC(=O)N1CC[N@H+](C[C@H](O)COC)C1 ZINC000425506070 386284596 /nfs/dbraw/zinc/28/45/96/386284596.db2.gz CQQGIYXFARCGBI-VIFPVBQESA-N 1 2 216.281 -0.495 20 0 BBADLO CCC(=O)N1CC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000425516845 386290601 /nfs/dbraw/zinc/29/06/01/386290601.db2.gz JYTZZJASEFCPBP-UHFFFAOYSA-N 1 2 242.279 -0.917 20 0 BBADLO CCC(=O)N1CC[N@H+](CCC(=O)NC(N)=O)C1 ZINC000425516845 386290590 /nfs/dbraw/zinc/29/05/90/386290590.db2.gz JYTZZJASEFCPBP-UHFFFAOYSA-N 1 2 242.279 -0.917 20 0 BBADLO CCC(=O)N1CC[N@@H+](C[C@@](C)(O)C(C)=O)C1 ZINC000425518655 386309501 /nfs/dbraw/zinc/30/95/01/386309501.db2.gz ZPWICTNQJRHIJF-LLVKDONJSA-N 1 2 228.292 -0.162 20 0 BBADLO CCC(=O)N1CC[N@H+](C[C@@](C)(O)C(C)=O)C1 ZINC000425518655 386309497 /nfs/dbraw/zinc/30/94/97/386309497.db2.gz ZPWICTNQJRHIJF-LLVKDONJSA-N 1 2 228.292 -0.162 20 0 BBADLO CCC(=O)N1CC[N@@H+](C[C@](C)(O)C(C)=O)C1 ZINC000425518656 386308305 /nfs/dbraw/zinc/30/83/05/386308305.db2.gz ZPWICTNQJRHIJF-NSHDSACASA-N 1 2 228.292 -0.162 20 0 BBADLO CCC(=O)N1CC[N@H+](C[C@](C)(O)C(C)=O)C1 ZINC000425518656 386308300 /nfs/dbraw/zinc/30/83/00/386308300.db2.gz ZPWICTNQJRHIJF-NSHDSACASA-N 1 2 228.292 -0.162 20 0 BBADLO CCOC[C@@H](O)C[N@H+]1CCN(C(=O)CC)C1 ZINC000425519948 386322999 /nfs/dbraw/zinc/32/29/99/386322999.db2.gz PUEFSAOKYAPPHF-JTQLQIEISA-N 1 2 230.308 -0.105 20 0 BBADLO CCOC[C@@H](O)C[N@@H+]1CCN(C(=O)CC)C1 ZINC000425519948 386322993 /nfs/dbraw/zinc/32/29/93/386322993.db2.gz PUEFSAOKYAPPHF-JTQLQIEISA-N 1 2 230.308 -0.105 20 0 BBADLO CCOC[C@H](O)C[N@H+]1CCN(C(=O)CC)C1 ZINC000425519949 386321168 /nfs/dbraw/zinc/32/11/68/386321168.db2.gz PUEFSAOKYAPPHF-SNVBAGLBSA-N 1 2 230.308 -0.105 20 0 BBADLO CCOC[C@H](O)C[N@@H+]1CCN(C(=O)CC)C1 ZINC000425519949 386321159 /nfs/dbraw/zinc/32/11/59/386321159.db2.gz PUEFSAOKYAPPHF-SNVBAGLBSA-N 1 2 230.308 -0.105 20 0 BBADLO CCC(=O)N1CCN(CC[NH+]2CCOCC2)C1 ZINC000425520334 386321541 /nfs/dbraw/zinc/32/15/41/386321541.db2.gz QNQCVCLCSKUDBB-UHFFFAOYSA-N 1 2 241.335 -0.170 20 0 BBADLO CCC(=O)N1CC[N@@H+](CCOCCO)C1 ZINC000425520389 386321725 /nfs/dbraw/zinc/32/17/25/386321725.db2.gz QZTBPMLYUADXLL-UHFFFAOYSA-N 1 2 216.281 -0.493 20 0 BBADLO CCC(=O)N1CC[N@H+](CCOCCO)C1 ZINC000425520389 386321721 /nfs/dbraw/zinc/32/17/21/386321721.db2.gz QZTBPMLYUADXLL-UHFFFAOYSA-N 1 2 216.281 -0.493 20 0 BBADLO CCC(=O)N1CC[N@@H+](CCC(=O)NC)C1 ZINC000425521004 386321638 /nfs/dbraw/zinc/32/16/38/386321638.db2.gz RVRWZBVRAZRSBM-UHFFFAOYSA-N 1 2 213.281 -0.366 20 0 BBADLO CCC(=O)N1CC[N@H+](CCC(=O)NC)C1 ZINC000425521004 386321634 /nfs/dbraw/zinc/32/16/34/386321634.db2.gz RVRWZBVRAZRSBM-UHFFFAOYSA-N 1 2 213.281 -0.366 20 0 BBADLO CCC(=O)N1CC[N@@H+](CCC(=O)N(C)C)C1 ZINC000425522472 386325623 /nfs/dbraw/zinc/32/56/23/386325623.db2.gz WDWCTXRUZAQXPX-UHFFFAOYSA-N 1 2 227.308 -0.024 20 0 BBADLO CCC(=O)N1CC[N@H+](CCC(=O)N(C)C)C1 ZINC000425522472 386325615 /nfs/dbraw/zinc/32/56/15/386325615.db2.gz WDWCTXRUZAQXPX-UHFFFAOYSA-N 1 2 227.308 -0.024 20 0 BBADLO COC(=O)C[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425546769 386584001 /nfs/dbraw/zinc/58/40/01/386584001.db2.gz LINQZUXASFJOAQ-SSDOTTSWSA-N 1 2 210.237 -0.233 20 0 BBADLO COC(=O)C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425546769 386583997 /nfs/dbraw/zinc/58/39/97/386583997.db2.gz LINQZUXASFJOAQ-SSDOTTSWSA-N 1 2 210.237 -0.233 20 0 BBADLO COC(=O)C[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425546777 386582632 /nfs/dbraw/zinc/58/26/32/386582632.db2.gz LINQZUXASFJOAQ-ZETCQYMHSA-N 1 2 210.237 -0.233 20 0 BBADLO COC(=O)C[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425546777 386582628 /nfs/dbraw/zinc/58/26/28/386582628.db2.gz LINQZUXASFJOAQ-ZETCQYMHSA-N 1 2 210.237 -0.233 20 0 BBADLO CC[C@]1(O)CC[N@@H+](Cc2nc(N)nc(N)n2)C1 ZINC000425926423 386695620 /nfs/dbraw/zinc/69/56/20/386695620.db2.gz WECKANFVKRTLAW-JTQLQIEISA-N 1 2 238.295 -0.956 20 0 BBADLO CC[C@]1(O)CC[N@H+](Cc2nc(N)nc(N)n2)C1 ZINC000425926423 386695612 /nfs/dbraw/zinc/69/56/12/386695612.db2.gz WECKANFVKRTLAW-JTQLQIEISA-N 1 2 238.295 -0.956 20 0 BBADLO CC[C@@]1(O)CC[N@@H+](Cc2nc(N)nc(N)n2)C1 ZINC000425926449 386695034 /nfs/dbraw/zinc/69/50/34/386695034.db2.gz WECKANFVKRTLAW-SNVBAGLBSA-N 1 2 238.295 -0.956 20 0 BBADLO CC[C@@]1(O)CC[N@H+](Cc2nc(N)nc(N)n2)C1 ZINC000425926449 386695026 /nfs/dbraw/zinc/69/50/26/386695026.db2.gz WECKANFVKRTLAW-SNVBAGLBSA-N 1 2 238.295 -0.956 20 0 BBADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCN1CCCC1=O ZINC000426134847 387538703 /nfs/dbraw/zinc/53/87/03/387538703.db2.gz XTRJESSHHYVZEX-JTQLQIEISA-N 1 2 239.319 -0.229 20 0 BBADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCN1CCCC1=O ZINC000426134847 387538698 /nfs/dbraw/zinc/53/86/98/387538698.db2.gz XTRJESSHHYVZEX-JTQLQIEISA-N 1 2 239.319 -0.229 20 0 BBADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCN1CCCC1=O ZINC000426134848 387540464 /nfs/dbraw/zinc/54/04/64/387540464.db2.gz XTRJESSHHYVZEX-SNVBAGLBSA-N 1 2 239.319 -0.229 20 0 BBADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCN1CCCC1=O ZINC000426134848 387540461 /nfs/dbraw/zinc/54/04/61/387540461.db2.gz XTRJESSHHYVZEX-SNVBAGLBSA-N 1 2 239.319 -0.229 20 0 BBADLO C[C@@H]1C(=O)N(C)CCN1CC[NH+]1CCOCC1 ZINC000426142121 387540289 /nfs/dbraw/zinc/54/02/89/387540289.db2.gz UVZCCGCQUCZTJZ-LLVKDONJSA-N 1 2 241.335 -0.519 20 0 BBADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCN1CCOCC1 ZINC000426142121 387540284 /nfs/dbraw/zinc/54/02/84/387540284.db2.gz UVZCCGCQUCZTJZ-LLVKDONJSA-N 1 2 241.335 -0.519 20 0 BBADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCN1CCOCC1 ZINC000426142121 387540279 /nfs/dbraw/zinc/54/02/79/387540279.db2.gz UVZCCGCQUCZTJZ-LLVKDONJSA-N 1 2 241.335 -0.519 20 0 BBADLO C[C@H]1C(=O)N(C)CCN1CC[NH+]1CCOCC1 ZINC000426142122 387542479 /nfs/dbraw/zinc/54/24/79/387542479.db2.gz UVZCCGCQUCZTJZ-NSHDSACASA-N 1 2 241.335 -0.519 20 0 BBADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCN1CCOCC1 ZINC000426142122 387542475 /nfs/dbraw/zinc/54/24/75/387542475.db2.gz UVZCCGCQUCZTJZ-NSHDSACASA-N 1 2 241.335 -0.519 20 0 BBADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCN1CCOCC1 ZINC000426142122 387542471 /nfs/dbraw/zinc/54/24/71/387542471.db2.gz UVZCCGCQUCZTJZ-NSHDSACASA-N 1 2 241.335 -0.519 20 0 BBADLO CNC(=O)CC[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000426153389 387543147 /nfs/dbraw/zinc/54/31/47/387543147.db2.gz MJLYGVHSUGOGER-UHFFFAOYSA-N 1 2 241.335 -0.077 20 0 BBADLO CNC(=O)CC[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000426153389 387543142 /nfs/dbraw/zinc/54/31/42/387543142.db2.gz MJLYGVHSUGOGER-UHFFFAOYSA-N 1 2 241.335 -0.077 20 0 BBADLO C[C@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)CC[C@@H]1O ZINC000426153598 191022960 /nfs/dbraw/zinc/02/29/60/191022960.db2.gz NQWXFSDSUNQINC-BQBZGAKWSA-N 1 2 212.253 -0.287 20 0 BBADLO C[C@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)CC[C@@H]1O ZINC000426153598 191022958 /nfs/dbraw/zinc/02/29/58/191022958.db2.gz NQWXFSDSUNQINC-BQBZGAKWSA-N 1 2 212.253 -0.287 20 0 BBADLO C[C@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)CC[C@H]1O ZINC000426153599 191022907 /nfs/dbraw/zinc/02/29/07/191022907.db2.gz NQWXFSDSUNQINC-NKWVEPMBSA-N 1 2 212.253 -0.287 20 0 BBADLO C[C@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)CC[C@H]1O ZINC000426153599 191022906 /nfs/dbraw/zinc/02/29/06/191022906.db2.gz NQWXFSDSUNQINC-NKWVEPMBSA-N 1 2 212.253 -0.287 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)CC[C@H]1O ZINC000426153600 191023139 /nfs/dbraw/zinc/02/31/39/191023139.db2.gz NQWXFSDSUNQINC-RNFRBKRXSA-N 1 2 212.253 -0.287 20 0 BBADLO C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)CC[C@H]1O ZINC000426153600 191023136 /nfs/dbraw/zinc/02/31/36/191023136.db2.gz NQWXFSDSUNQINC-RNFRBKRXSA-N 1 2 212.253 -0.287 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)CC[C@@H]1O ZINC000426153601 191023203 /nfs/dbraw/zinc/02/32/03/191023203.db2.gz NQWXFSDSUNQINC-RQJHMYQMSA-N 1 2 212.253 -0.287 20 0 BBADLO C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)CC[C@@H]1O ZINC000426153601 191023200 /nfs/dbraw/zinc/02/32/00/191023200.db2.gz NQWXFSDSUNQINC-RQJHMYQMSA-N 1 2 212.253 -0.287 20 0 BBADLO CCOC[C@H](O)C[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000426165178 387544844 /nfs/dbraw/zinc/54/48/44/387544844.db2.gz GZZXFJCOETZADS-NXEZZACHSA-N 1 2 230.308 -0.454 20 0 BBADLO CCOC[C@H](O)C[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000426165178 387544841 /nfs/dbraw/zinc/54/48/41/387544841.db2.gz GZZXFJCOETZADS-NXEZZACHSA-N 1 2 230.308 -0.454 20 0 BBADLO CCOC[C@@H](O)C[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000426165179 387544552 /nfs/dbraw/zinc/54/45/52/387544552.db2.gz GZZXFJCOETZADS-UWVGGRQHSA-N 1 2 230.308 -0.454 20 0 BBADLO CCOC[C@@H](O)C[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000426165179 387544547 /nfs/dbraw/zinc/54/45/47/387544547.db2.gz GZZXFJCOETZADS-UWVGGRQHSA-N 1 2 230.308 -0.454 20 0 BBADLO CCOC[C@H](O)C[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000426165180 387546696 /nfs/dbraw/zinc/54/66/96/387546696.db2.gz GZZXFJCOETZADS-VHSXEESVSA-N 1 2 230.308 -0.454 20 0 BBADLO CCOC[C@H](O)C[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000426165180 387546694 /nfs/dbraw/zinc/54/66/94/387546694.db2.gz GZZXFJCOETZADS-VHSXEESVSA-N 1 2 230.308 -0.454 20 0 BBADLO CCOC[C@@H](O)C[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000426165181 387547279 /nfs/dbraw/zinc/54/72/79/387547279.db2.gz GZZXFJCOETZADS-ZJUUUORDSA-N 1 2 230.308 -0.454 20 0 BBADLO CCOC[C@@H](O)C[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000426165181 387547270 /nfs/dbraw/zinc/54/72/70/387547270.db2.gz GZZXFJCOETZADS-ZJUUUORDSA-N 1 2 230.308 -0.454 20 0 BBADLO O=c1[nH]nc(C[N@@H+]2CCC[C@@H]2CCO)[nH]1 ZINC000426265626 387553377 /nfs/dbraw/zinc/55/33/77/387553377.db2.gz VLQCQPMPJCQNEP-SSDOTTSWSA-N 1 2 212.253 -0.143 20 0 BBADLO O=c1[nH]nc(C[N@H+]2CCC[C@@H]2CCO)[nH]1 ZINC000426265626 387553374 /nfs/dbraw/zinc/55/33/74/387553374.db2.gz VLQCQPMPJCQNEP-SSDOTTSWSA-N 1 2 212.253 -0.143 20 0 BBADLO O=c1[nH]nc(C[N@@H+]2CCC[C@H]2CCO)[nH]1 ZINC000426265627 387552745 /nfs/dbraw/zinc/55/27/45/387552745.db2.gz VLQCQPMPJCQNEP-ZETCQYMHSA-N 1 2 212.253 -0.143 20 0 BBADLO O=c1[nH]nc(C[N@H+]2CCC[C@H]2CCO)[nH]1 ZINC000426265627 387552741 /nfs/dbraw/zinc/55/27/41/387552741.db2.gz VLQCQPMPJCQNEP-ZETCQYMHSA-N 1 2 212.253 -0.143 20 0 BBADLO C[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)CC[N@H+]1CCO ZINC000426455691 387568312 /nfs/dbraw/zinc/56/83/12/387568312.db2.gz CTVUNDYLKACARV-MRVPVSSYSA-N 1 2 241.295 -0.991 20 0 BBADLO C[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)CC[N@@H+]1CCO ZINC000426455691 387568308 /nfs/dbraw/zinc/56/83/08/387568308.db2.gz CTVUNDYLKACARV-MRVPVSSYSA-N 1 2 241.295 -0.991 20 0 BBADLO C[C@H]1CN(Cc2n[nH]c(=O)[nH]2)CC[N@H+]1CCO ZINC000426455693 387568627 /nfs/dbraw/zinc/56/86/27/387568627.db2.gz CTVUNDYLKACARV-QMMMGPOBSA-N 1 2 241.295 -0.991 20 0 BBADLO C[C@H]1CN(Cc2n[nH]c(=O)[nH]2)CC[N@@H+]1CCO ZINC000426455693 387568623 /nfs/dbraw/zinc/56/86/23/387568623.db2.gz CTVUNDYLKACARV-QMMMGPOBSA-N 1 2 241.295 -0.991 20 0 BBADLO CCOC(=O)CC(=O)NCc1c[nH+]cn1C ZINC000426482487 387573063 /nfs/dbraw/zinc/57/30/63/387573063.db2.gz LKCDUOXKNYYLMD-UHFFFAOYSA-N 1 2 225.248 -0.011 20 0 BBADLO O=C(Nc1nn[nH]n1)[C@H]1CCC[N@H+]1C1CC1 ZINC000426872929 191047220 /nfs/dbraw/zinc/04/72/20/191047220.db2.gz BRRNMEQBVUVTOU-SSDOTTSWSA-N 1 2 222.252 -0.235 20 0 BBADLO O=C(Nc1nn[nH]n1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426872929 191047217 /nfs/dbraw/zinc/04/72/17/191047217.db2.gz BRRNMEQBVUVTOU-SSDOTTSWSA-N 1 2 222.252 -0.235 20 0 BBADLO O=C(Nc1nn[nH]n1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000426872930 191047309 /nfs/dbraw/zinc/04/73/09/191047309.db2.gz BRRNMEQBVUVTOU-ZETCQYMHSA-N 1 2 222.252 -0.235 20 0 BBADLO O=C(Nc1nn[nH]n1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426872930 191047307 /nfs/dbraw/zinc/04/73/07/191047307.db2.gz BRRNMEQBVUVTOU-ZETCQYMHSA-N 1 2 222.252 -0.235 20 0 BBADLO CN(CC[NH+]1CCOCC1)C(=O)C(C)(C)O ZINC000427450546 191074372 /nfs/dbraw/zinc/07/43/72/191074372.db2.gz UJXVRDODXRTCFN-UHFFFAOYSA-N 1 2 230.308 -0.452 20 0 BBADLO CC(C)(O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000427458662 191075811 /nfs/dbraw/zinc/07/58/11/191075811.db2.gz IKKQNRJTZSVDOI-UHFFFAOYSA-N 1 2 244.335 -0.016 20 0 BBADLO CC(C)(O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000427458662 191075810 /nfs/dbraw/zinc/07/58/10/191075810.db2.gz IKKQNRJTZSVDOI-UHFFFAOYSA-N 1 2 244.335 -0.016 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(C)(C)O ZINC000427462139 191075833 /nfs/dbraw/zinc/07/58/33/191075833.db2.gz INJUYUCDSGXEJE-SECBINFHSA-N 1 2 230.308 -0.406 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)O ZINC000427462139 191075831 /nfs/dbraw/zinc/07/58/31/191075831.db2.gz INJUYUCDSGXEJE-SECBINFHSA-N 1 2 230.308 -0.406 20 0 BBADLO C[C@H]1COCC[N@H+]1CCNC(=O)C(C)(C)O ZINC000427462140 191076261 /nfs/dbraw/zinc/07/62/61/191076261.db2.gz INJUYUCDSGXEJE-VIFPVBQESA-N 1 2 230.308 -0.406 20 0 BBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)O ZINC000427462140 191076258 /nfs/dbraw/zinc/07/62/58/191076258.db2.gz INJUYUCDSGXEJE-VIFPVBQESA-N 1 2 230.308 -0.406 20 0 BBADLO CC(C)(O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000427499814 191077966 /nfs/dbraw/zinc/07/79/66/191077966.db2.gz OPIGZUGJUIVALZ-UHFFFAOYSA-N 1 2 209.249 -0.004 20 0 BBADLO C[N@H+]1CCO[C@H]2CN(C(=O)C(C)(C)O)C[C@H]21 ZINC000427621353 384847930 /nfs/dbraw/zinc/84/79/30/384847930.db2.gz NDSHEYGQPRUEJW-BDAKNGLRSA-N 1 2 228.292 -0.701 20 0 BBADLO C[N@@H+]1CCO[C@H]2CN(C(=O)C(C)(C)O)C[C@H]21 ZINC000427621353 384847925 /nfs/dbraw/zinc/84/79/25/384847925.db2.gz NDSHEYGQPRUEJW-BDAKNGLRSA-N 1 2 228.292 -0.701 20 0 BBADLO CC[C@@H]1C[N@@H+](CCNC(=O)CO)CCO1 ZINC000427757053 191091358 /nfs/dbraw/zinc/09/13/58/191091358.db2.gz AMZRADWHERIGLM-SECBINFHSA-N 1 2 216.281 -0.794 20 0 BBADLO CC[C@@H]1C[N@H+](CCNC(=O)CO)CCO1 ZINC000427757053 191091355 /nfs/dbraw/zinc/09/13/55/191091355.db2.gz AMZRADWHERIGLM-SECBINFHSA-N 1 2 216.281 -0.794 20 0 BBADLO CC[C@H]1C[N@@H+](CCNC(=O)CO)CCO1 ZINC000427757059 191091598 /nfs/dbraw/zinc/09/15/98/191091598.db2.gz AMZRADWHERIGLM-VIFPVBQESA-N 1 2 216.281 -0.794 20 0 BBADLO CC[C@H]1C[N@H+](CCNC(=O)CO)CCO1 ZINC000427757059 191091597 /nfs/dbraw/zinc/09/15/97/191091597.db2.gz AMZRADWHERIGLM-VIFPVBQESA-N 1 2 216.281 -0.794 20 0 BBADLO CCOCC[NH+]1CCN(C(=O)C(C)(C)O)CC1 ZINC000427825910 191092561 /nfs/dbraw/zinc/09/25/61/191092561.db2.gz MMFAZXLCWFYHIC-UHFFFAOYSA-N 1 2 244.335 -0.062 20 0 BBADLO COCC[NH+]1CCN(C(=O)C(C)(C)O)CC1 ZINC000427832670 385227720 /nfs/dbraw/zinc/22/77/20/385227720.db2.gz DSHVNSFWNCKPJR-UHFFFAOYSA-N 1 2 230.308 -0.452 20 0 BBADLO O=C(CC(=O)NCC1CC1)NCc1[nH]cc[nH+]1 ZINC000427848017 191096176 /nfs/dbraw/zinc/09/61/76/191096176.db2.gz DUUZJXJDBVPKTN-UHFFFAOYSA-N 1 2 236.275 -0.058 20 0 BBADLO C[C@@]1(C(=O)NCc2[nH]cc[nH+]2)CCCNC1=O ZINC000427856926 191096334 /nfs/dbraw/zinc/09/63/34/191096334.db2.gz XTAVGBRJMXMWPD-LLVKDONJSA-N 1 2 236.275 -0.058 20 0 BBADLO C[C@]1(C(=O)NCc2[nH]cc[nH+]2)CCCNC1=O ZINC000427856986 191096026 /nfs/dbraw/zinc/09/60/26/191096026.db2.gz XTAVGBRJMXMWPD-NSHDSACASA-N 1 2 236.275 -0.058 20 0 BBADLO O=C(CC(=O)NCC1CC1)NCc1c[nH]c[nH+]1 ZINC000427858282 191096366 /nfs/dbraw/zinc/09/63/66/191096366.db2.gz KYXJEOWDEBFIJV-UHFFFAOYSA-N 1 2 236.275 -0.058 20 0 BBADLO O=C(CC(=O)NCC1CC1)NCc1c[nH+]c[nH]1 ZINC000427858282 191096364 /nfs/dbraw/zinc/09/63/64/191096364.db2.gz KYXJEOWDEBFIJV-UHFFFAOYSA-N 1 2 236.275 -0.058 20 0 BBADLO CC[C@@H]1C[N@@H+](CCNC(=O)[C@@H](C)O)CCO1 ZINC000428057997 386521511 /nfs/dbraw/zinc/52/15/11/386521511.db2.gz WYLLACSUCRJAIU-NXEZZACHSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@@H]1C[N@H+](CCNC(=O)[C@@H](C)O)CCO1 ZINC000428057997 386521505 /nfs/dbraw/zinc/52/15/05/386521505.db2.gz WYLLACSUCRJAIU-NXEZZACHSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@H]1C[N@@H+](CCNC(=O)[C@H](C)O)CCO1 ZINC000428057998 386521665 /nfs/dbraw/zinc/52/16/65/386521665.db2.gz WYLLACSUCRJAIU-UWVGGRQHSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@H]1C[N@H+](CCNC(=O)[C@H](C)O)CCO1 ZINC000428057998 386521659 /nfs/dbraw/zinc/52/16/59/386521659.db2.gz WYLLACSUCRJAIU-UWVGGRQHSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@@H]1C[N@@H+](CCNC(=O)[C@H](C)O)CCO1 ZINC000428057999 386522089 /nfs/dbraw/zinc/52/20/89/386522089.db2.gz WYLLACSUCRJAIU-VHSXEESVSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@@H]1C[N@H+](CCNC(=O)[C@H](C)O)CCO1 ZINC000428057999 386522082 /nfs/dbraw/zinc/52/20/82/386522082.db2.gz WYLLACSUCRJAIU-VHSXEESVSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@H]1C[N@@H+](CCNC(=O)[C@@H](C)O)CCO1 ZINC000428058000 386522229 /nfs/dbraw/zinc/52/22/29/386522229.db2.gz WYLLACSUCRJAIU-ZJUUUORDSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@H]1C[N@H+](CCNC(=O)[C@@H](C)O)CCO1 ZINC000428058000 386522217 /nfs/dbraw/zinc/52/22/17/386522217.db2.gz WYLLACSUCRJAIU-ZJUUUORDSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@@H]1C[N@@H+](CCNC(=O)CC(N)=O)CCO1 ZINC000428077364 386886918 /nfs/dbraw/zinc/88/69/18/386886918.db2.gz LDGOLXNCXNMVAO-SECBINFHSA-N 1 2 243.307 -0.911 20 0 BBADLO CC[C@@H]1C[N@H+](CCNC(=O)CC(N)=O)CCO1 ZINC000428077364 386886914 /nfs/dbraw/zinc/88/69/14/386886914.db2.gz LDGOLXNCXNMVAO-SECBINFHSA-N 1 2 243.307 -0.911 20 0 BBADLO CC[C@H]1C[N@@H+](CCNC(=O)CC(N)=O)CCO1 ZINC000428077367 386886669 /nfs/dbraw/zinc/88/66/69/386886669.db2.gz LDGOLXNCXNMVAO-VIFPVBQESA-N 1 2 243.307 -0.911 20 0 BBADLO CC[C@H]1C[N@H+](CCNC(=O)CC(N)=O)CCO1 ZINC000428077367 386886667 /nfs/dbraw/zinc/88/66/67/386886667.db2.gz LDGOLXNCXNMVAO-VIFPVBQESA-N 1 2 243.307 -0.911 20 0 BBADLO CC[C@H]1C[N@@H+](CCNC(=O)C(C)(C)O)CCO1 ZINC000428078490 386886787 /nfs/dbraw/zinc/88/67/87/386886787.db2.gz MYHUMPPEQNHRBK-JTQLQIEISA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@H]1C[N@H+](CCNC(=O)C(C)(C)O)CCO1 ZINC000428078490 386886776 /nfs/dbraw/zinc/88/67/76/386886776.db2.gz MYHUMPPEQNHRBK-JTQLQIEISA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)O)CCO1 ZINC000428078491 386885552 /nfs/dbraw/zinc/88/55/52/386885552.db2.gz MYHUMPPEQNHRBK-SNVBAGLBSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@@H]1C[N@H+](CCNC(=O)C(C)(C)O)CCO1 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Cc1nnc(C[N@@H+](C)[C@@]2(CO)CCOC2)[nH]1 ZINC000428343455 201010174 /nfs/dbraw/zinc/01/01/74/201010174.db2.gz GQKYDANOHRGXEF-SNVBAGLBSA-N 1 2 226.280 -0.304 20 0 BBADLO CNC(=O)C[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000428346699 201009024 /nfs/dbraw/zinc/00/90/24/201009024.db2.gz ORFBFGMEULFULW-UHFFFAOYSA-N 1 2 237.307 -0.280 20 0 BBADLO CNC(=O)C[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000428346699 201009022 /nfs/dbraw/zinc/00/90/22/201009022.db2.gz ORFBFGMEULFULW-UHFFFAOYSA-N 1 2 237.307 -0.280 20 0 BBADLO Cc1cc(C[NH+]2CCN(CC(N)=O)CC2)ncn1 ZINC000428387344 201014100 /nfs/dbraw/zinc/01/41/00/201014100.db2.gz KPXNIRQTCHZJJG-UHFFFAOYSA-N 1 2 249.318 -0.612 20 0 BBADLO Cc1nnc(C[N@H+]2CCN3CCOC[C@@H]3C2)[nH]1 ZINC000428429041 201015583 /nfs/dbraw/zinc/01/55/83/201015583.db2.gz BGHUDINQVKYJIY-JTQLQIEISA-N 1 2 237.307 -0.370 20 0 BBADLO Cc1nnc(C[N@@H+]2CCN3CCOC[C@@H]3C2)[nH]1 ZINC000428429041 201015581 /nfs/dbraw/zinc/01/55/81/201015581.db2.gz BGHUDINQVKYJIY-JTQLQIEISA-N 1 2 237.307 -0.370 20 0 BBADLO Cc1nnc(C[N@H+]2CCN3CCOC[C@H]3C2)[nH]1 ZINC000428429042 201016603 /nfs/dbraw/zinc/01/66/03/201016603.db2.gz BGHUDINQVKYJIY-SNVBAGLBSA-N 1 2 237.307 -0.370 20 0 BBADLO Cc1nnc(C[N@@H+]2CCN3CCOC[C@H]3C2)[nH]1 ZINC000428429042 201016600 /nfs/dbraw/zinc/01/66/00/201016600.db2.gz BGHUDINQVKYJIY-SNVBAGLBSA-N 1 2 237.307 -0.370 20 0 BBADLO Cc1nc(CN2CC[N@@H+](CCO)[C@H](C)C2)n[nH]1 ZINC000428434279 201014813 /nfs/dbraw/zinc/01/48/13/201014813.db2.gz KMNDWFRCIFOCFL-SECBINFHSA-N 1 2 239.323 -0.388 20 0 BBADLO Cc1nc(CN2CC[N@H+](CCO)[C@H](C)C2)n[nH]1 ZINC000428434279 201014810 /nfs/dbraw/zinc/01/48/10/201014810.db2.gz KMNDWFRCIFOCFL-SECBINFHSA-N 1 2 239.323 -0.388 20 0 BBADLO Cc1nc(CN2CC[N@@H+](CCO)[C@@H](C)C2)n[nH]1 ZINC000428434280 201016423 /nfs/dbraw/zinc/01/64/23/201016423.db2.gz KMNDWFRCIFOCFL-VIFPVBQESA-N 1 2 239.323 -0.388 20 0 BBADLO Cc1nc(CN2CC[N@H+](CCO)[C@@H](C)C2)n[nH]1 ZINC000428434280 201016421 /nfs/dbraw/zinc/01/64/21/201016421.db2.gz KMNDWFRCIFOCFL-VIFPVBQESA-N 1 2 239.323 -0.388 20 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BBADLO CNC(=O)C[N@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000428437535 201016246 /nfs/dbraw/zinc/01/62/46/201016246.db2.gz FDIOPLFVQOZQLJ-RKDXNWHRSA-N 1 2 216.281 -0.796 20 0 BBADLO CNC(=O)C[N@@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000428437535 201016243 /nfs/dbraw/zinc/01/62/43/201016243.db2.gz FDIOPLFVQOZQLJ-RKDXNWHRSA-N 1 2 216.281 -0.796 20 0 BBADLO CNC(=O)C[N@@H+](C)Cc1cc(C)ncn1 ZINC000428440543 201017352 /nfs/dbraw/zinc/01/73/52/201017352.db2.gz FBPLLCWJEFUWOW-UHFFFAOYSA-N 1 2 208.265 -0.037 20 0 BBADLO CNC(=O)C[N@H+](C)Cc1cc(C)ncn1 ZINC000428440543 201017349 /nfs/dbraw/zinc/01/73/49/201017349.db2.gz FBPLLCWJEFUWOW-UHFFFAOYSA-N 1 2 208.265 -0.037 20 0 BBADLO Cc1nnc(C[N@H+]2CCc3nn[nH]c3C2)[nH]1 ZINC000428478444 201024298 /nfs/dbraw/zinc/02/42/98/201024298.db2.gz CEFIEOBBZJBFTE-UHFFFAOYSA-N 1 2 219.252 -0.210 20 0 BBADLO Cc1nnc(C[N@@H+]2CCc3nn[nH]c3C2)[nH]1 ZINC000428478444 201024297 /nfs/dbraw/zinc/02/42/97/201024297.db2.gz CEFIEOBBZJBFTE-UHFFFAOYSA-N 1 2 219.252 -0.210 20 0 BBADLO Cc1nnc(C[N@H+](C[C@@H](C)O)[C@H](C)CO)[nH]1 ZINC000428482953 201023663 /nfs/dbraw/zinc/02/36/63/201023663.db2.gz PKACBPBSJHLRAI-HTQZYQBOSA-N 1 2 228.296 -0.323 20 0 BBADLO Cc1nnc(C[N@@H+](C[C@@H](C)O)[C@H](C)CO)[nH]1 ZINC000428482953 201023661 /nfs/dbraw/zinc/02/36/61/201023661.db2.gz PKACBPBSJHLRAI-HTQZYQBOSA-N 1 2 228.296 -0.323 20 0 BBADLO Cc1nnc(C[N@H+](C[C@@H](C)O)[C@@H](C)CO)[nH]1 ZINC000428482955 201024566 /nfs/dbraw/zinc/02/45/66/201024566.db2.gz PKACBPBSJHLRAI-JGVFFNPUSA-N 1 2 228.296 -0.323 20 0 BBADLO Cc1nnc(C[N@@H+](C[C@@H](C)O)[C@@H](C)CO)[nH]1 ZINC000428482955 201024565 /nfs/dbraw/zinc/02/45/65/201024565.db2.gz PKACBPBSJHLRAI-JGVFFNPUSA-N 1 2 228.296 -0.323 20 0 BBADLO Cc1nnc(C[N@H+](C[C@H](C)O)[C@H](C)CO)[nH]1 ZINC000428482957 201024212 /nfs/dbraw/zinc/02/42/12/201024212.db2.gz PKACBPBSJHLRAI-SFYZADRCSA-N 1 2 228.296 -0.323 20 0 BBADLO Cc1nnc(C[N@@H+](C[C@H](C)O)[C@H](C)CO)[nH]1 ZINC000428482957 201024209 /nfs/dbraw/zinc/02/42/09/201024209.db2.gz PKACBPBSJHLRAI-SFYZADRCSA-N 1 2 228.296 -0.323 20 0 BBADLO Cc1nnc(C[N@H+](C[C@H](C)O)[C@@H](C)CO)[nH]1 ZINC000428482959 201025446 /nfs/dbraw/zinc/02/54/46/201025446.db2.gz PKACBPBSJHLRAI-YUMQZZPRSA-N 1 2 228.296 -0.323 20 0 BBADLO Cc1nnc(C[N@@H+](C[C@H](C)O)[C@@H](C)CO)[nH]1 ZINC000428482959 201025444 /nfs/dbraw/zinc/02/54/44/201025444.db2.gz PKACBPBSJHLRAI-YUMQZZPRSA-N 1 2 228.296 -0.323 20 0 BBADLO C[C@H](O)C[NH+]1CCN(C(=O)c2cnc[nH]2)CC1 ZINC000428490717 201025221 /nfs/dbraw/zinc/02/52/21/201025221.db2.gz OJPYOAMFOQUTNJ-VIFPVBQESA-N 1 2 238.291 -0.452 20 0 BBADLO COCCC[N@@H+](CCO)Cc1nnc(C)[nH]1 ZINC000428503326 201026257 /nfs/dbraw/zinc/02/62/57/201026257.db2.gz NIADFFALQIZQBM-UHFFFAOYSA-N 1 2 228.296 -0.056 20 0 BBADLO COCCC[N@H+](CCO)Cc1nnc(C)[nH]1 ZINC000428503326 201026255 /nfs/dbraw/zinc/02/62/55/201026255.db2.gz NIADFFALQIZQBM-UHFFFAOYSA-N 1 2 228.296 -0.056 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2CCO)C1 ZINC000428621313 201030951 /nfs/dbraw/zinc/03/09/51/201030951.db2.gz QTPSRMPKIUGWHX-GHMZBOCLSA-N 1 2 242.319 -0.310 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2CCO)C1 ZINC000428621313 201030948 /nfs/dbraw/zinc/03/09/48/201030948.db2.gz QTPSRMPKIUGWHX-GHMZBOCLSA-N 1 2 242.319 -0.310 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2CCO)C1 ZINC000428621316 201030849 /nfs/dbraw/zinc/03/08/49/201030849.db2.gz QTPSRMPKIUGWHX-MNOVXSKESA-N 1 2 242.319 -0.310 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2CCO)C1 ZINC000428621316 201030847 /nfs/dbraw/zinc/03/08/47/201030847.db2.gz QTPSRMPKIUGWHX-MNOVXSKESA-N 1 2 242.319 -0.310 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]2CCO)C1 ZINC000428621318 201031268 /nfs/dbraw/zinc/03/12/68/201031268.db2.gz QTPSRMPKIUGWHX-QWRGUYRKSA-N 1 2 242.319 -0.310 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]2CCO)C1 ZINC000428621318 201031263 /nfs/dbraw/zinc/03/12/63/201031263.db2.gz QTPSRMPKIUGWHX-QWRGUYRKSA-N 1 2 242.319 -0.310 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2CCO)C1 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CCC[N@H+](CC(N)=O)CC(=O)NC1CC1 ZINC000429122895 201071255 /nfs/dbraw/zinc/07/12/55/201071255.db2.gz RNTDTPZXSARQQH-UHFFFAOYSA-N 1 2 213.281 -0.538 20 0 BBADLO CCC[N@@H+](CC(N)=O)CC(=O)N1CCOCC1 ZINC000429125976 201069844 /nfs/dbraw/zinc/06/98/44/201069844.db2.gz GJOSQMSIDYLHPK-UHFFFAOYSA-N 1 2 243.307 -0.958 20 0 BBADLO CCC[N@H+](CC(N)=O)CC(=O)N1CCOCC1 ZINC000429125976 201069841 /nfs/dbraw/zinc/06/98/41/201069841.db2.gz GJOSQMSIDYLHPK-UHFFFAOYSA-N 1 2 243.307 -0.958 20 0 BBADLO CCC[N@@H+](CC(N)=O)CC(=O)N(C)C1CC1 ZINC000429126045 201071608 /nfs/dbraw/zinc/07/16/08/201071608.db2.gz HDYJSPYVRAOETQ-UHFFFAOYSA-N 1 2 227.308 -0.196 20 0 BBADLO CCC[N@H+](CC(N)=O)CC(=O)N(C)C1CC1 ZINC000429126045 201071607 /nfs/dbraw/zinc/07/16/07/201071607.db2.gz HDYJSPYVRAOETQ-UHFFFAOYSA-N 1 2 227.308 -0.196 20 0 BBADLO CCC[N@@H+](CC(N)=O)CC(=O)NCCOCC ZINC000429127742 201071792 /nfs/dbraw/zinc/07/17/92/201071792.db2.gz LHYLMCKQEZMYFX-UHFFFAOYSA-N 1 2 245.323 -0.664 20 0 BBADLO CCC[N@H+](CC(N)=O)CC(=O)NCCOCC 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/nfs/dbraw/zinc/07/09/56/201070956.db2.gz PVNBIGKQWSHSQK-UHFFFAOYSA-N 1 2 201.270 -0.680 20 0 BBADLO CCC[N@@H+](CC(N)=O)CC(=O)NC(=O)NCC ZINC000429144256 201073796 /nfs/dbraw/zinc/07/37/96/201073796.db2.gz RQQVRBIZKHPTGT-UHFFFAOYSA-N 1 2 244.295 -0.971 20 0 BBADLO CCC[N@H+](CC(N)=O)CC(=O)NC(=O)NCC ZINC000429144256 201073793 /nfs/dbraw/zinc/07/37/93/201073793.db2.gz RQQVRBIZKHPTGT-UHFFFAOYSA-N 1 2 244.295 -0.971 20 0 BBADLO CCC[N@@H+](CC(N)=O)Cc1cnnn1C ZINC000429149068 201072583 /nfs/dbraw/zinc/07/25/83/201072583.db2.gz GAQLMCNOSBEQAI-UHFFFAOYSA-N 1 2 211.269 -0.488 20 0 BBADLO CCC[N@H+](CC(N)=O)Cc1cnnn1C ZINC000429149068 201072579 /nfs/dbraw/zinc/07/25/79/201072579.db2.gz GAQLMCNOSBEQAI-UHFFFAOYSA-N 1 2 211.269 -0.488 20 0 BBADLO CCC[N@@H+](CC(N)=O)CC(=O)N1CCCC1 ZINC000429149171 201074651 /nfs/dbraw/zinc/07/46/51/201074651.db2.gz FEXYCBVBTVBAQH-UHFFFAOYSA-N 1 2 227.308 -0.194 20 0 BBADLO CCC[N@H+](CC(N)=O)CC(=O)N1CCCC1 ZINC000429149171 201074648 /nfs/dbraw/zinc/07/46/48/201074648.db2.gz FEXYCBVBTVBAQH-UHFFFAOYSA-N 1 2 227.308 -0.194 20 0 BBADLO CCC[N@@H+](CC(N)=O)CC(=O)NC(C)C ZINC000429161260 201076082 /nfs/dbraw/zinc/07/60/82/201076082.db2.gz VFBWQQCLEQBZOH-UHFFFAOYSA-N 1 2 215.297 -0.292 20 0 BBADLO CCC[N@H+](CC(N)=O)CC(=O)NC(C)C ZINC000429161260 201076081 /nfs/dbraw/zinc/07/60/81/201076081.db2.gz VFBWQQCLEQBZOH-UHFFFAOYSA-N 1 2 215.297 -0.292 20 0 BBADLO CCC[N@@H+](CCCS(C)(=O)=O)CC(N)=O ZINC000429162134 201075054 /nfs/dbraw/zinc/07/50/54/201075054.db2.gz KWPNXJMBKUIIJR-UHFFFAOYSA-N 1 2 236.337 -0.382 20 0 BBADLO CCC[N@H+](CCCS(C)(=O)=O)CC(N)=O ZINC000429162134 201075052 /nfs/dbraw/zinc/07/50/52/201075052.db2.gz KWPNXJMBKUIIJR-UHFFFAOYSA-N 1 2 236.337 -0.382 20 0 BBADLO CCC[N@@H+](CC(N)=O)CC(=O)NCC(C)C ZINC000429162940 201074996 /nfs/dbraw/zinc/07/49/96/201074996.db2.gz TVVDIZICLNWUKH-UHFFFAOYSA-N 1 2 229.324 -0.044 20 0 BBADLO CCC[N@H+](CC(N)=O)CC(=O)NCC(C)C ZINC000429162940 201074993 /nfs/dbraw/zinc/07/49/93/201074993.db2.gz TVVDIZICLNWUKH-UHFFFAOYSA-N 1 2 229.324 -0.044 20 0 BBADLO CCC[N@@H+](CC(N)=O)CC(=O)N(C)CC ZINC000429165815 201076492 /nfs/dbraw/zinc/07/64/92/201076492.db2.gz GWSGIALIMCHVJL-UHFFFAOYSA-N 1 2 215.297 -0.338 20 0 BBADLO CCC[N@H+](CC(N)=O)CC(=O)N(C)CC ZINC000429165815 201076490 /nfs/dbraw/zinc/07/64/90/201076490.db2.gz GWSGIALIMCHVJL-UHFFFAOYSA-N 1 2 215.297 -0.338 20 0 BBADLO CCC[N@@H+](CC(N)=O)CC(=O)N1CCC1 ZINC000429174953 201077309 /nfs/dbraw/zinc/07/73/09/201077309.db2.gz GVSACEQLRORQNQ-UHFFFAOYSA-N 1 2 213.281 -0.584 20 0 BBADLO CCC[N@H+](CC(N)=O)CC(=O)N1CCC1 ZINC000429174953 201077306 /nfs/dbraw/zinc/07/73/06/201077306.db2.gz GVSACEQLRORQNQ-UHFFFAOYSA-N 1 2 213.281 -0.584 20 0 BBADLO CNS(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000429236348 192025507 /nfs/dbraw/zinc/02/55/07/192025507.db2.gz MAMPODQCLNCFCD-UHFFFAOYSA-N 1 2 219.310 -0.769 20 0 BBADLO CNS(=O)(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000429238839 201080055 /nfs/dbraw/zinc/08/00/55/201080055.db2.gz SBPNRYNFBSWFKU-UHFFFAOYSA-N 1 2 244.320 -0.299 20 0 BBADLO 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O[C@@H](Cn1cccn1)C[N@@H+]1CCc2nn[nH]c2C1 ZINC000429291933 201095719 /nfs/dbraw/zinc/09/57/19/201095719.db2.gz VULPTHAIZXWRET-SECBINFHSA-N 1 2 248.290 -0.580 20 0 BBADLO O[C@H](Cn1cccn1)C[N@H+]1CCc2nn[nH]c2C1 ZINC000429291935 201096884 /nfs/dbraw/zinc/09/68/84/201096884.db2.gz VULPTHAIZXWRET-VIFPVBQESA-N 1 2 248.290 -0.580 20 0 BBADLO O[C@H](Cn1cccn1)C[N@@H+]1CCc2nn[nH]c2C1 ZINC000429291935 201096882 /nfs/dbraw/zinc/09/68/82/201096882.db2.gz VULPTHAIZXWRET-VIFPVBQESA-N 1 2 248.290 -0.580 20 0 BBADLO CN(C)C(=O)CC[N@H+]1CCc2n[nH]nc2C1 ZINC000429295601 201097117 /nfs/dbraw/zinc/09/71/17/201097117.db2.gz VBPYWJDWLYPAFD-UHFFFAOYSA-N 1 2 223.280 -0.359 20 0 BBADLO CN(C)C(=O)CC[N@@H+]1CCc2n[nH]nc2C1 ZINC000429295601 201097116 /nfs/dbraw/zinc/09/71/16/201097116.db2.gz VBPYWJDWLYPAFD-UHFFFAOYSA-N 1 2 223.280 -0.359 20 0 BBADLO C[C@@H](c1nnnn1C)[N@H+]1CCc2nn[nH]c2C1 ZINC000429303941 201099277 /nfs/dbraw/zinc/09/92/77/201099277.db2.gz XCYHGRIUPKNMMU-LURJTMIESA-N 1 2 234.267 -0.553 20 0 BBADLO C[C@@H](c1nnnn1C)[N@@H+]1CCc2nn[nH]c2C1 ZINC000429303941 201099274 /nfs/dbraw/zinc/09/92/74/201099274.db2.gz XCYHGRIUPKNMMU-LURJTMIESA-N 1 2 234.267 -0.553 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+]1CCc2nn[nH]c2C1 ZINC000429303942 206060554 /nfs/dbraw/zinc/06/05/54/206060554.db2.gz XCYHGRIUPKNMMU-ZCFIWIBFSA-N 1 2 234.267 -0.553 20 0 BBADLO C[C@H](c1nnnn1C)[N@@H+]1CCc2nn[nH]c2C1 ZINC000429303942 206060551 /nfs/dbraw/zinc/06/05/51/206060551.db2.gz XCYHGRIUPKNMMU-ZCFIWIBFSA-N 1 2 234.267 -0.553 20 0 BBADLO CCOC[C@H](O)C[N@H+]1CCc2nn[nH]c2C1 ZINC000429305194 201098011 /nfs/dbraw/zinc/09/80/11/201098011.db2.gz INQJKWHWCAWEGT-MRVPVSSYSA-N 1 2 226.280 -0.440 20 0 BBADLO CCOC[C@H](O)C[N@@H+]1CCc2nn[nH]c2C1 ZINC000429305194 201098007 /nfs/dbraw/zinc/09/80/07/201098007.db2.gz INQJKWHWCAWEGT-MRVPVSSYSA-N 1 2 226.280 -0.440 20 0 BBADLO CCOC[C@@H](O)C[N@H+]1CCc2nn[nH]c2C1 ZINC000429305196 201098606 /nfs/dbraw/zinc/09/86/06/201098606.db2.gz INQJKWHWCAWEGT-QMMMGPOBSA-N 1 2 226.280 -0.440 20 0 BBADLO 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1 2 201.270 -0.282 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(N)=O ZINC000432647447 387806718 /nfs/dbraw/zinc/80/67/18/387806718.db2.gz SAWHPKMHOAOCSH-QMMMGPOBSA-N 1 2 201.270 -0.282 20 0 BBADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cocn1 ZINC000432742915 387812454 /nfs/dbraw/zinc/81/24/54/387812454.db2.gz WAQOGIPGIUCYOI-SECBINFHSA-N 1 2 245.304 -0.073 20 0 BBADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cocn1 ZINC000432742915 387812449 /nfs/dbraw/zinc/81/24/49/387812449.db2.gz WAQOGIPGIUCYOI-SECBINFHSA-N 1 2 245.304 -0.073 20 0 BBADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cocn1 ZINC000432742917 387812020 /nfs/dbraw/zinc/81/20/20/387812020.db2.gz WAQOGIPGIUCYOI-VIFPVBQESA-N 1 2 245.304 -0.073 20 0 BBADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cocn1 ZINC000432742917 387812017 /nfs/dbraw/zinc/81/20/17/387812017.db2.gz WAQOGIPGIUCYOI-VIFPVBQESA-N 1 2 245.304 -0.073 20 0 BBADLO COCCN1CC[N@@H+](C[C@@H](O)C(C)C)CC1=O ZINC000432779791 387817891 /nfs/dbraw/zinc/81/78/91/387817891.db2.gz LSJTUWNDRCITBX-LLVKDONJSA-N 1 2 244.335 -0.206 20 0 BBADLO COCCN1CC[N@H+](C[C@@H](O)C(C)C)CC1=O ZINC000432779791 387817890 /nfs/dbraw/zinc/81/78/90/387817890.db2.gz LSJTUWNDRCITBX-LLVKDONJSA-N 1 2 244.335 -0.206 20 0 BBADLO COCCN1CC[N@@H+](C[C@H](O)C(C)C)CC1=O ZINC000432779792 387818398 /nfs/dbraw/zinc/81/83/98/387818398.db2.gz LSJTUWNDRCITBX-NSHDSACASA-N 1 2 244.335 -0.206 20 0 BBADLO COCCN1CC[N@H+](C[C@H](O)C(C)C)CC1=O ZINC000432779792 387818395 /nfs/dbraw/zinc/81/83/95/387818395.db2.gz LSJTUWNDRCITBX-NSHDSACASA-N 1 2 244.335 -0.206 20 0 BBADLO CCC[C@@](C)(O)C(=O)N1CC[NH+](CCO)CC1 ZINC000432794813 387822068 /nfs/dbraw/zinc/82/20/68/387822068.db2.gz VPEJYJCJFCSDNI-GFCCVEGCSA-N 1 2 244.335 -0.326 20 0 BBADLO CCC[C@](C)(O)C(=O)N1CC[NH+](CCO)CC1 ZINC000432794817 387821689 /nfs/dbraw/zinc/82/16/89/387821689.db2.gz VPEJYJCJFCSDNI-LBPRGKRZSA-N 1 2 244.335 -0.326 20 0 BBADLO CC(C)(C)c1nnc(C[NH+](CCO)CCO)[nH]1 ZINC000432812384 387825747 /nfs/dbraw/zinc/82/57/47/387825747.db2.gz IDKLJWOCNJWSJO-UHFFFAOYSA-N 1 2 242.323 -0.111 20 0 BBADLO CC(C)[C@H](O)C[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000432864714 387834693 /nfs/dbraw/zinc/83/46/93/387834693.db2.gz MNUNUVOHPCECKM-MRVPVSSYSA-N 1 2 226.280 -0.184 20 0 BBADLO CC(C)[C@H](O)C[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000432864714 387834688 /nfs/dbraw/zinc/83/46/88/387834688.db2.gz MNUNUVOHPCECKM-MRVPVSSYSA-N 1 2 226.280 -0.184 20 0 BBADLO CC(C)[C@@H](O)C[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000432864715 387834382 /nfs/dbraw/zinc/83/43/82/387834382.db2.gz MNUNUVOHPCECKM-QMMMGPOBSA-N 1 2 226.280 -0.184 20 0 BBADLO CC(C)[C@@H](O)C[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000432864715 387834378 /nfs/dbraw/zinc/83/43/78/387834378.db2.gz MNUNUVOHPCECKM-QMMMGPOBSA-N 1 2 226.280 -0.184 20 0 BBADLO C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)CC[S@@](=O)C1 ZINC000433241176 201171982 /nfs/dbraw/zinc/17/19/82/201171982.db2.gz QBGJCSFOYLGKHE-KCWFYHRYSA-N 1 2 244.360 -0.083 20 0 BBADLO C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)CC[S@@](=O)C1 ZINC000433241176 201171978 /nfs/dbraw/zinc/17/19/78/201171978.db2.gz QBGJCSFOYLGKHE-KCWFYHRYSA-N 1 2 244.360 -0.083 20 0 BBADLO C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)CC[S@](=O)C1 ZINC000433241177 201172301 /nfs/dbraw/zinc/17/23/01/201172301.db2.gz QBGJCSFOYLGKHE-LSYCYVAJSA-N 1 2 244.360 -0.083 20 0 BBADLO C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)CC[S@](=O)C1 ZINC000433241177 201172297 /nfs/dbraw/zinc/17/22/97/201172297.db2.gz QBGJCSFOYLGKHE-LSYCYVAJSA-N 1 2 244.360 -0.083 20 0 BBADLO C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)CC[S@](=O)C1 ZINC000433241178 201170641 /nfs/dbraw/zinc/17/06/41/201170641.db2.gz QBGJCSFOYLGKHE-LYGAQUJYSA-N 1 2 244.360 -0.083 20 0 BBADLO C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)CC[S@](=O)C1 ZINC000433241178 201170637 /nfs/dbraw/zinc/17/06/37/201170637.db2.gz QBGJCSFOYLGKHE-LYGAQUJYSA-N 1 2 244.360 -0.083 20 0 BBADLO C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)CC[S@@](=O)C1 ZINC000433241179 201171359 /nfs/dbraw/zinc/17/13/59/201171359.db2.gz QBGJCSFOYLGKHE-XIZWVBILSA-N 1 2 244.360 -0.083 20 0 BBADLO C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)CC[S@@](=O)C1 ZINC000433241179 201171356 /nfs/dbraw/zinc/17/13/56/201171356.db2.gz QBGJCSFOYLGKHE-XIZWVBILSA-N 1 2 244.360 -0.083 20 0 BBADLO C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)CC[S@@](=O)C1 ZINC000433275123 201172813 /nfs/dbraw/zinc/17/28/13/201172813.db2.gz XNBPDPDNKWZVKE-KCWFYHRYSA-N 1 2 244.360 -0.035 20 0 BBADLO C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)CC[S@@](=O)C1 ZINC000433275123 201172810 /nfs/dbraw/zinc/17/28/10/201172810.db2.gz XNBPDPDNKWZVKE-KCWFYHRYSA-N 1 2 244.360 -0.035 20 0 BBADLO C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)CC[S@](=O)C1 ZINC000433275124 201173765 /nfs/dbraw/zinc/17/37/65/201173765.db2.gz XNBPDPDNKWZVKE-LSYCYVAJSA-N 1 2 244.360 -0.035 20 0 BBADLO C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)CC[S@](=O)C1 ZINC000433275124 201173762 /nfs/dbraw/zinc/17/37/62/201173762.db2.gz XNBPDPDNKWZVKE-LSYCYVAJSA-N 1 2 244.360 -0.035 20 0 BBADLO C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)CC[S@](=O)C1 ZINC000433275125 201174289 /nfs/dbraw/zinc/17/42/89/201174289.db2.gz XNBPDPDNKWZVKE-LYGAQUJYSA-N 1 2 244.360 -0.035 20 0 BBADLO C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)CC[S@](=O)C1 ZINC000433275125 201174287 /nfs/dbraw/zinc/17/42/87/201174287.db2.gz XNBPDPDNKWZVKE-LYGAQUJYSA-N 1 2 244.360 -0.035 20 0 BBADLO C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)CC[S@@](=O)C1 ZINC000433275126 201172785 /nfs/dbraw/zinc/17/27/85/201172785.db2.gz XNBPDPDNKWZVKE-XIZWVBILSA-N 1 2 244.360 -0.035 20 0 BBADLO C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)CC[S@@](=O)C1 ZINC000433275126 201172782 /nfs/dbraw/zinc/17/27/82/201172782.db2.gz XNBPDPDNKWZVKE-XIZWVBILSA-N 1 2 244.360 -0.035 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)N(C)S(C)(=O)=O ZINC000433351154 201182745 /nfs/dbraw/zinc/18/27/45/201182745.db2.gz FBXRYMMOXKYZTQ-SECBINFHSA-N 1 2 236.337 -0.402 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)N(C)S(C)(=O)=O ZINC000433351158 201181887 /nfs/dbraw/zinc/18/18/87/201181887.db2.gz FBXRYMMOXKYZTQ-VIFPVBQESA-N 1 2 236.337 -0.402 20 0 BBADLO c1nnn(CCNc2cc[nH+]c(C3CC3)n2)n1 ZINC000433424095 411708205 /nfs/dbraw/zinc/70/82/05/411708205.db2.gz QSNPHXUEGDPSDY-UHFFFAOYSA-N 1 2 231.263 0.453 20 0 BBADLO Cc1nc2[nH]ccc2c(NCCn2ncnn2)[nH+]1 ZINC000433431006 411778640 /nfs/dbraw/zinc/77/86/40/411778640.db2.gz PLNXDXYPULJNFL-UHFFFAOYSA-N 1 2 244.262 0.365 20 0 BBADLO CCN1CCN(C(=O)CO)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433486449 201187609 /nfs/dbraw/zinc/18/76/09/201187609.db2.gz LEZVOOVCAYPZSR-SECBINFHSA-N 1 2 238.291 -0.393 20 0 BBADLO CCN1CCN(C(=O)CO)C[C@H]1c1[nH]cc[nH+]1 ZINC000433486450 201187051 /nfs/dbraw/zinc/18/70/51/201187051.db2.gz LEZVOOVCAYPZSR-VIFPVBQESA-N 1 2 238.291 -0.393 20 0 BBADLO Cc1nc(N2C[C@@H](O)[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC000433811809 201195770 /nfs/dbraw/zinc/19/57/70/201195770.db2.gz SIVYSUGTEULGHS-AOOOYVTPSA-N 1 2 223.276 -0.056 20 0 BBADLO Cc1nc(N2C[C@@H](O)[C@H](O)C2)c(C)c(C)[nH+]1 ZINC000433811810 201196754 /nfs/dbraw/zinc/19/67/54/201196754.db2.gz SIVYSUGTEULGHS-NXEZZACHSA-N 1 2 223.276 -0.056 20 0 BBADLO Cc1nc(N2C[C@H](O)[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC000433811811 201194906 /nfs/dbraw/zinc/19/49/06/201194906.db2.gz SIVYSUGTEULGHS-UWVGGRQHSA-N 1 2 223.276 -0.056 20 0 BBADLO Cc1nc2[nH]ccc2c(N2C[C@@H](O)[C@@H](O)C2)[nH+]1 ZINC000433818843 201195026 /nfs/dbraw/zinc/19/50/26/201195026.db2.gz NWXHGZCQXAEPBT-DTORHVGOSA-N 1 2 234.259 -0.192 20 0 BBADLO Cc1nc2[nH]ccc2c(N2C[C@H](O)[C@@H](O)C2)[nH+]1 ZINC000433818848 201195557 /nfs/dbraw/zinc/19/55/57/201195557.db2.gz NWXHGZCQXAEPBT-IUCAKERBSA-N 1 2 234.259 -0.192 20 0 BBADLO Cc1nc2[nH]ccc2c(N2C[C@@H](O)[C@H](O)C2)[nH+]1 ZINC000433818849 201195995 /nfs/dbraw/zinc/19/59/95/201195995.db2.gz NWXHGZCQXAEPBT-RKDXNWHRSA-N 1 2 234.259 -0.192 20 0 BBADLO O=C(NCCO)NCC1([NH+]2CCOCC2)CC1 ZINC000434142386 201208289 /nfs/dbraw/zinc/20/82/89/201208289.db2.gz OUGGQNYLFPEZJH-UHFFFAOYSA-N 1 2 243.307 -0.857 20 0 BBADLO C[C@H](O)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434381933 201218221 /nfs/dbraw/zinc/21/82/21/201218221.db2.gz CVECDYWHRWFBPU-VIFPVBQESA-N 1 2 228.292 -0.652 20 0 BBADLO CC(C)(O)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434388790 201218133 /nfs/dbraw/zinc/21/81/33/201218133.db2.gz QIGWAJLJNVHHJE-UHFFFAOYSA-N 1 2 242.319 -0.262 20 0 BBADLO C[C@@H](O)CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000434474433 201220921 /nfs/dbraw/zinc/22/09/21/201220921.db2.gz ODBFLJZBPWTALX-NXEZZACHSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@@H](O)CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000434474433 201220917 /nfs/dbraw/zinc/22/09/17/201220917.db2.gz ODBFLJZBPWTALX-NXEZZACHSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@H](O)CNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000434474434 201220398 /nfs/dbraw/zinc/22/03/98/201220398.db2.gz ODBFLJZBPWTALX-UWVGGRQHSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@H](O)CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000434474434 201220394 /nfs/dbraw/zinc/22/03/94/201220394.db2.gz ODBFLJZBPWTALX-UWVGGRQHSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@@H](O)CNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000434474435 201221549 /nfs/dbraw/zinc/22/15/49/201221549.db2.gz ODBFLJZBPWTALX-VHSXEESVSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@@H](O)CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000434474435 201221544 /nfs/dbraw/zinc/22/15/44/201221544.db2.gz ODBFLJZBPWTALX-VHSXEESVSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@H](O)CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000434474436 201221899 /nfs/dbraw/zinc/22/18/99/201221899.db2.gz ODBFLJZBPWTALX-ZJUUUORDSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@H](O)CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000434474436 201221895 /nfs/dbraw/zinc/22/18/95/201221895.db2.gz ODBFLJZBPWTALX-ZJUUUORDSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@H](C(=O)N1CCCCC1)[N@@H+](C)CC(N)=O ZINC000434686461 201233740 /nfs/dbraw/zinc/23/37/40/201233740.db2.gz TWHPCJAJSHKAFV-SECBINFHSA-N 1 2 227.308 -0.196 20 0 BBADLO C[C@H](C(=O)N1CCCCC1)[N@H+](C)CC(N)=O ZINC000434686461 201233738 /nfs/dbraw/zinc/23/37/38/201233738.db2.gz TWHPCJAJSHKAFV-SECBINFHSA-N 1 2 227.308 -0.196 20 0 BBADLO C[C@@H](C(=O)N1CCCCC1)[N@@H+](C)CC(N)=O ZINC000434686462 201235173 /nfs/dbraw/zinc/23/51/73/201235173.db2.gz TWHPCJAJSHKAFV-VIFPVBQESA-N 1 2 227.308 -0.196 20 0 BBADLO C[C@@H](C(=O)N1CCCCC1)[N@H+](C)CC(N)=O ZINC000434686462 201235169 /nfs/dbraw/zinc/23/51/69/201235169.db2.gz TWHPCJAJSHKAFV-VIFPVBQESA-N 1 2 227.308 -0.196 20 0 BBADLO C[C@@H](C(N)=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000434696681 201232993 /nfs/dbraw/zinc/23/29/93/201232993.db2.gz GTVRRPZLUIHRKQ-JTQLQIEISA-N 1 2 243.351 -0.097 20 0 BBADLO C[C@@H](C(N)=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000434696681 201232992 /nfs/dbraw/zinc/23/29/92/201232992.db2.gz GTVRRPZLUIHRKQ-JTQLQIEISA-N 1 2 243.351 -0.097 20 0 BBADLO C[C@H](C(N)=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000434696682 201234937 /nfs/dbraw/zinc/23/49/37/201234937.db2.gz GTVRRPZLUIHRKQ-SNVBAGLBSA-N 1 2 243.351 -0.097 20 0 BBADLO C[C@H](C(N)=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000434696682 201234935 /nfs/dbraw/zinc/23/49/35/201234935.db2.gz GTVRRPZLUIHRKQ-SNVBAGLBSA-N 1 2 243.351 -0.097 20 0 BBADLO CN(CC[N@H+]1CCOC(C)(C)C1)CC(N)=O ZINC000434697806 201233248 /nfs/dbraw/zinc/23/32/48/201233248.db2.gz RRCDGQQMJAIMEN-UHFFFAOYSA-N 1 2 229.324 -0.486 20 0 BBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)CC(N)=O ZINC000434697806 201233245 /nfs/dbraw/zinc/23/32/45/201233245.db2.gz RRCDGQQMJAIMEN-UHFFFAOYSA-N 1 2 229.324 -0.486 20 0 BBADLO COC[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)[C@H]1CCCO1 ZINC000434796038 201241920 /nfs/dbraw/zinc/24/19/20/201241920.db2.gz OZVOGAOHGKMQSU-HTQZYQBOSA-N 1 2 242.279 -0.206 20 0 BBADLO COC[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)[C@H]1CCCO1 ZINC000434796043 201240940 /nfs/dbraw/zinc/24/09/40/201240940.db2.gz OZVOGAOHGKMQSU-JGVFFNPUSA-N 1 2 242.279 -0.206 20 0 BBADLO COC[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)[C@@H]1CCCO1 ZINC000434796044 201242217 /nfs/dbraw/zinc/24/22/17/201242217.db2.gz OZVOGAOHGKMQSU-SFYZADRCSA-N 1 2 242.279 -0.206 20 0 BBADLO COC[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)[C@@H]1CCCO1 ZINC000434796046 201241296 /nfs/dbraw/zinc/24/12/96/201241296.db2.gz OZVOGAOHGKMQSU-YUMQZZPRSA-N 1 2 242.279 -0.206 20 0 BBADLO O=C(NCCF)NCC[NH+]1CCOCC1 ZINC000435867594 201290411 /nfs/dbraw/zinc/29/04/11/201290411.db2.gz OGNJECVWMORDHX-UHFFFAOYSA-N 1 2 219.260 -0.413 20 0 BBADLO NC(=O)NC(=O)CC[NH+]1CC(OC(F)F)C1 ZINC000435875394 201293039 /nfs/dbraw/zinc/29/30/39/201293039.db2.gz RXYHCNFHLJVSFV-UHFFFAOYSA-N 1 2 237.206 -0.505 20 0 BBADLO CC[C@@H](CO)NC(=O)NCc1[nH+]ccn1C ZINC000435963851 201302333 /nfs/dbraw/zinc/30/23/33/201302333.db2.gz FFBMYYPGBAINBK-QMMMGPOBSA-N 1 2 226.280 -0.010 20 0 BBADLO CN(c1nc2c(cnn2C)c(N)[nH+]1)C1CC(O)C1 ZINC000436327682 201322595 /nfs/dbraw/zinc/32/25/95/201322595.db2.gz GYNHMDUIJPZYJW-UHFFFAOYSA-N 1 2 248.290 -0.095 20 0 BBADLO C[C@H](CC(N)=O)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000436384368 412197536 /nfs/dbraw/zinc/19/75/36/412197536.db2.gz MOOUMHZGSNXBHO-RXMQYKEDSA-N 1 2 249.278 -0.379 20 0 BBADLO C[C@@H](CC(N)=O)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000436384381 411814837 /nfs/dbraw/zinc/81/48/37/411814837.db2.gz MOOUMHZGSNXBHO-YFKPBYRVSA-N 1 2 249.278 -0.379 20 0 BBADLO C[C@@H]1CN(c2nc3c(cnn3C)c(N)[nH+]2)C[C@H]1O ZINC000436414898 386309103 /nfs/dbraw/zinc/30/91/03/386309103.db2.gz QHAANOQZIBSLMK-HTRCEHHLSA-N 1 2 248.290 -0.238 20 0 BBADLO C[C@H]1CN(c2nc3c(cnn3C)c(N)[nH+]2)C[C@H]1O ZINC000436414910 191506305 /nfs/dbraw/zinc/50/63/05/191506305.db2.gz QHAANOQZIBSLMK-POYBYMJQSA-N 1 2 248.290 -0.238 20 0 BBADLO C[C@@H]1CN(c2nc3c(cnn3C)c(N)[nH+]2)C[C@@H]1O ZINC000436414913 386310918 /nfs/dbraw/zinc/31/09/18/386310918.db2.gz QHAANOQZIBSLMK-SVRRBLITSA-N 1 2 248.290 -0.238 20 0 BBADLO C[C@H]1CN(c2nc3c(cnn3C)c(N)[nH+]2)C[C@@H]1O ZINC000436414916 386310349 /nfs/dbraw/zinc/31/03/49/386310349.db2.gz QHAANOQZIBSLMK-XPUUQOCRSA-N 1 2 248.290 -0.238 20 0 BBADLO COc1nccnc1C[NH2+][C@@]1(CO)CCOC1 ZINC000436480700 201328506 /nfs/dbraw/zinc/32/85/06/201328506.db2.gz GCNUXHQUEYOIOU-LLVKDONJSA-N 1 2 239.275 -0.274 20 0 BBADLO COc1nccnc1C[NH2+][C@]1(CO)CCOC1 ZINC000436480704 201328022 /nfs/dbraw/zinc/32/80/22/201328022.db2.gz GCNUXHQUEYOIOU-NSHDSACASA-N 1 2 239.275 -0.274 20 0 BBADLO Cc1nc(CN2CC[NH+](C[C@@H](C)O)CC2)n[nH]1 ZINC000436834417 201337957 /nfs/dbraw/zinc/33/79/57/201337957.db2.gz ZFWUQHIXWVVXBG-SECBINFHSA-N 1 2 239.323 -0.388 20 0 BBADLO Cc1nc(CN2CC[NH+](C[C@H](C)O)CC2)n[nH]1 ZINC000436834418 201338046 /nfs/dbraw/zinc/33/80/46/201338046.db2.gz ZFWUQHIXWVVXBG-VIFPVBQESA-N 1 2 239.323 -0.388 20 0 BBADLO CC[C@@H](OC)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000437742425 206070799 /nfs/dbraw/zinc/07/07/99/206070799.db2.gz FKCLYVYBSORFCO-GHMZBOCLSA-N 1 2 241.335 -0.473 20 0 BBADLO CC[C@H](OC)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000437742428 206071088 /nfs/dbraw/zinc/07/10/88/206071088.db2.gz FKCLYVYBSORFCO-MNOVXSKESA-N 1 2 241.335 -0.473 20 0 BBADLO CC[C@H](OC)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000437742430 206071880 /nfs/dbraw/zinc/07/18/80/206071880.db2.gz FKCLYVYBSORFCO-QWRGUYRKSA-N 1 2 241.335 -0.473 20 0 BBADLO CC[C@@H](OC)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000437742432 206070517 /nfs/dbraw/zinc/07/05/17/206070517.db2.gz FKCLYVYBSORFCO-WDEREUQCSA-N 1 2 241.335 -0.473 20 0 BBADLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCCF)C1 ZINC000437760942 201372560 /nfs/dbraw/zinc/37/25/60/201372560.db2.gz RFIJVYCCAHVORC-SECBINFHSA-N 1 2 232.303 -0.499 20 0 BBADLO CN1CC[N@H+](C)[C@H](CNC(=O)NCCF)C1 ZINC000437760942 201372556 /nfs/dbraw/zinc/37/25/56/201372556.db2.gz RFIJVYCCAHVORC-SECBINFHSA-N 1 2 232.303 -0.499 20 0 BBADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCCF)C1 ZINC000437760943 201372062 /nfs/dbraw/zinc/37/20/62/201372062.db2.gz RFIJVYCCAHVORC-VIFPVBQESA-N 1 2 232.303 -0.499 20 0 BBADLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCCF)C1 ZINC000437760943 201372061 /nfs/dbraw/zinc/37/20/61/201372061.db2.gz RFIJVYCCAHVORC-VIFPVBQESA-N 1 2 232.303 -0.499 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCCF ZINC000437801934 201373712 /nfs/dbraw/zinc/37/37/12/201373712.db2.gz LIZMVPCGMKZDNP-SECBINFHSA-N 1 2 233.287 -0.024 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCF ZINC000437801934 201373709 /nfs/dbraw/zinc/37/37/09/201373709.db2.gz LIZMVPCGMKZDNP-SECBINFHSA-N 1 2 233.287 -0.024 20 0 BBADLO C[C@H]1COCC[N@H+]1CCNC(=O)NCCF ZINC000437801935 201373470 /nfs/dbraw/zinc/37/34/70/201373470.db2.gz LIZMVPCGMKZDNP-VIFPVBQESA-N 1 2 233.287 -0.024 20 0 BBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCCF ZINC000437801935 201373468 /nfs/dbraw/zinc/37/34/68/201373468.db2.gz LIZMVPCGMKZDNP-VIFPVBQESA-N 1 2 233.287 -0.024 20 0 BBADLO COCCC[N@@H+](CCO)Cc1cn(C)nn1 ZINC000438340057 387921881 /nfs/dbraw/zinc/92/18/81/387921881.db2.gz PERGPRMSNKPAHN-UHFFFAOYSA-N 1 2 228.296 -0.354 20 0 BBADLO COCCC[N@H+](CCO)Cc1cn(C)nn1 ZINC000438340057 387921874 /nfs/dbraw/zinc/92/18/74/387921874.db2.gz PERGPRMSNKPAHN-UHFFFAOYSA-N 1 2 228.296 -0.354 20 0 BBADLO CN(C)[C@H](C(=O)N(C)CCO)c1c[nH+]cn1C ZINC000438772925 387956620 /nfs/dbraw/zinc/95/66/20/387956620.db2.gz QWSMGQBOIBDLTQ-JTQLQIEISA-N 1 2 240.307 -0.527 20 0 BBADLO CN(C)[C@@H](C(=O)N(C)CCO)c1c[nH+]cn1C ZINC000438772929 387955854 /nfs/dbraw/zinc/95/58/54/387955854.db2.gz QWSMGQBOIBDLTQ-SNVBAGLBSA-N 1 2 240.307 -0.527 20 0 BBADLO COCC[N@@H+](CC[C@@H](C)O)CC(=O)OC ZINC000438971342 387967444 /nfs/dbraw/zinc/96/74/44/387967444.db2.gz GJPSMPDWSGQORY-SECBINFHSA-N 1 2 219.281 -0.121 20 0 BBADLO COCC[N@H+](CC[C@@H](C)O)CC(=O)OC ZINC000438971342 387967439 /nfs/dbraw/zinc/96/74/39/387967439.db2.gz GJPSMPDWSGQORY-SECBINFHSA-N 1 2 219.281 -0.121 20 0 BBADLO COCC[N@@H+](CC[C@H](C)O)CC(=O)OC ZINC000438971345 387967215 /nfs/dbraw/zinc/96/72/15/387967215.db2.gz GJPSMPDWSGQORY-VIFPVBQESA-N 1 2 219.281 -0.121 20 0 BBADLO COCC[N@H+](CC[C@H](C)O)CC(=O)OC ZINC000438971345 387967209 /nfs/dbraw/zinc/96/72/09/387967209.db2.gz GJPSMPDWSGQORY-VIFPVBQESA-N 1 2 219.281 -0.121 20 0 BBADLO C[C@H]1CC[N@@H+](CC(=O)Nc2nn[nH]n2)C1 ZINC000438979931 387970391 /nfs/dbraw/zinc/97/03/91/387970391.db2.gz YTNHWKRUJJWBJA-LURJTMIESA-N 1 2 210.241 -0.520 20 0 BBADLO C[C@H]1CC[N@H+](CC(=O)Nc2nn[nH]n2)C1 ZINC000438979931 387970387 /nfs/dbraw/zinc/97/03/87/387970387.db2.gz YTNHWKRUJJWBJA-LURJTMIESA-N 1 2 210.241 -0.520 20 0 BBADLO C[C@@H]1CC[N@@H+](CC(=O)Nc2nn[nH]n2)C1 ZINC000438979932 387969961 /nfs/dbraw/zinc/96/99/61/387969961.db2.gz YTNHWKRUJJWBJA-ZCFIWIBFSA-N 1 2 210.241 -0.520 20 0 BBADLO C[C@@H]1CC[N@H+](CC(=O)Nc2nn[nH]n2)C1 ZINC000438979932 387969955 /nfs/dbraw/zinc/96/99/55/387969955.db2.gz YTNHWKRUJJWBJA-ZCFIWIBFSA-N 1 2 210.241 -0.520 20 0 BBADLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CC[C@@H](C)O ZINC000439015451 387975691 /nfs/dbraw/zinc/97/56/91/387975691.db2.gz QPEYWWFZQNOKRW-BDAKNGLRSA-N 1 2 244.291 -0.879 20 0 BBADLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1CC[C@@H](C)O ZINC000439015451 387975689 /nfs/dbraw/zinc/97/56/89/387975689.db2.gz QPEYWWFZQNOKRW-BDAKNGLRSA-N 1 2 244.291 -0.879 20 0 BBADLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC[C@H](C)O ZINC000439015452 387976423 /nfs/dbraw/zinc/97/64/23/387976423.db2.gz QPEYWWFZQNOKRW-DTWKUNHWSA-N 1 2 244.291 -0.879 20 0 BBADLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CC[C@H](C)O ZINC000439015452 387976417 /nfs/dbraw/zinc/97/64/17/387976417.db2.gz QPEYWWFZQNOKRW-DTWKUNHWSA-N 1 2 244.291 -0.879 20 0 BBADLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CC[C@H](C)O ZINC000439015453 387976394 /nfs/dbraw/zinc/97/63/94/387976394.db2.gz QPEYWWFZQNOKRW-IUCAKERBSA-N 1 2 244.291 -0.879 20 0 BBADLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1CC[C@H](C)O ZINC000439015453 387976392 /nfs/dbraw/zinc/97/63/92/387976392.db2.gz QPEYWWFZQNOKRW-IUCAKERBSA-N 1 2 244.291 -0.879 20 0 BBADLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC[C@@H](C)O ZINC000439015454 387975911 /nfs/dbraw/zinc/97/59/11/387975911.db2.gz QPEYWWFZQNOKRW-RKDXNWHRSA-N 1 2 244.291 -0.879 20 0 BBADLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CC[C@@H](C)O ZINC000439015454 387975908 /nfs/dbraw/zinc/97/59/08/387975908.db2.gz QPEYWWFZQNOKRW-RKDXNWHRSA-N 1 2 244.291 -0.879 20 0 BBADLO NC(=O)C[N@@H+](CCCO)Cc1ccccn1 ZINC000439015467 387974232 /nfs/dbraw/zinc/97/42/32/387974232.db2.gz QTPGDBMLKRFSRT-UHFFFAOYSA-N 1 2 223.276 -0.249 20 0 BBADLO NC(=O)C[N@H+](CCCO)Cc1ccccn1 ZINC000439015467 387974228 /nfs/dbraw/zinc/97/42/28/387974228.db2.gz QTPGDBMLKRFSRT-UHFFFAOYSA-N 1 2 223.276 -0.249 20 0 BBADLO CCNC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000439176654 387983795 /nfs/dbraw/zinc/98/37/95/387983795.db2.gz MIIAQVHMLCUBGS-JTQLQIEISA-N 1 2 228.340 -0.059 20 0 BBADLO CCNC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000439176655 387982835 /nfs/dbraw/zinc/98/28/35/387982835.db2.gz MIIAQVHMLCUBGS-SNVBAGLBSA-N 1 2 228.340 -0.059 20 0 BBADLO COC[C@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H](C)O1 ZINC000439286759 387992776 /nfs/dbraw/zinc/99/27/76/387992776.db2.gz SRJJHYDGBDOJFF-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO COC[C@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H](C)O1 ZINC000439286759 387992771 /nfs/dbraw/zinc/99/27/71/387992771.db2.gz SRJJHYDGBDOJFF-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO COC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H](C)O1 ZINC000439286760 387992670 /nfs/dbraw/zinc/99/26/70/387992670.db2.gz SRJJHYDGBDOJFF-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO COC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H](C)O1 ZINC000439286760 387992667 /nfs/dbraw/zinc/99/26/67/387992667.db2.gz SRJJHYDGBDOJFF-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO COC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H](C)O1 ZINC000439286761 387991717 /nfs/dbraw/zinc/99/17/17/387991717.db2.gz SRJJHYDGBDOJFF-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO COC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H](C)O1 ZINC000439286761 387991712 /nfs/dbraw/zinc/99/17/12/387991712.db2.gz SRJJHYDGBDOJFF-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO COC[C@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H](C)O1 ZINC000439286762 387991090 /nfs/dbraw/zinc/99/10/90/387991090.db2.gz SRJJHYDGBDOJFF-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO COC[C@H]1C[N@H+](CC(=O)N2CCC2)C[C@H](C)O1 ZINC000439286762 387991087 /nfs/dbraw/zinc/99/10/87/387991087.db2.gz SRJJHYDGBDOJFF-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO O=c1[nH]nc(C[N@H+](CCO)C2CCC2)[nH]1 ZINC000439289923 387991343 /nfs/dbraw/zinc/99/13/43/387991343.db2.gz QZXQSKBTWOBHEZ-UHFFFAOYSA-N 1 2 212.253 -0.143 20 0 BBADLO O=c1[nH]nc(C[N@@H+](CCO)C2CCC2)[nH]1 ZINC000439289923 387991341 /nfs/dbraw/zinc/99/13/41/387991341.db2.gz QZXQSKBTWOBHEZ-UHFFFAOYSA-N 1 2 212.253 -0.143 20 0 BBADLO C[C@@H](C(=O)N(CCO)C1CC1)[NH+]1CCOCC1 ZINC000439295977 387990907 /nfs/dbraw/zinc/99/09/07/387990907.db2.gz OMXYCNZSTQWSNR-JTQLQIEISA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H](C(=O)N(CCO)C1CC1)[NH+]1CCOCC1 ZINC000439295979 387991352 /nfs/dbraw/zinc/99/13/52/387991352.db2.gz OMXYCNZSTQWSNR-SNVBAGLBSA-N 1 2 242.319 -0.310 20 0 BBADLO Cc1cc(N2CC(=O)N(C)C(=O)C2)nc[nH+]1 ZINC000439646244 388013268 /nfs/dbraw/zinc/01/32/68/388013268.db2.gz OGTXHOWFCURLTR-UHFFFAOYSA-N 1 2 220.232 -0.410 20 0 BBADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nnn(C)n2)[C@@H]1C ZINC000440493536 397928233 /nfs/dbraw/zinc/92/82/33/397928233.db2.gz XDYQLOLPPOOBQT-HTQZYQBOSA-N 1 2 239.279 -0.407 20 0 BBADLO COC(=O)[C@@H]1CC[N@H+](Cc2nnn(C)n2)[C@@H]1C ZINC000440493536 397928229 /nfs/dbraw/zinc/92/82/29/397928229.db2.gz XDYQLOLPPOOBQT-HTQZYQBOSA-N 1 2 239.279 -0.407 20 0 BBADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nnn(C)n2)[C@H]1C ZINC000440493538 397927947 /nfs/dbraw/zinc/92/79/47/397927947.db2.gz XDYQLOLPPOOBQT-JGVFFNPUSA-N 1 2 239.279 -0.407 20 0 BBADLO COC(=O)[C@@H]1CC[N@H+](Cc2nnn(C)n2)[C@H]1C ZINC000440493538 397927943 /nfs/dbraw/zinc/92/79/43/397927943.db2.gz XDYQLOLPPOOBQT-JGVFFNPUSA-N 1 2 239.279 -0.407 20 0 BBADLO COC(=O)[C@H]1CC[N@@H+](Cc2nnn(C)n2)[C@@H]1C ZINC000440493540 397928277 /nfs/dbraw/zinc/92/82/77/397928277.db2.gz XDYQLOLPPOOBQT-SFYZADRCSA-N 1 2 239.279 -0.407 20 0 BBADLO COC(=O)[C@H]1CC[N@H+](Cc2nnn(C)n2)[C@@H]1C ZINC000440493540 397928273 /nfs/dbraw/zinc/92/82/73/397928273.db2.gz XDYQLOLPPOOBQT-SFYZADRCSA-N 1 2 239.279 -0.407 20 0 BBADLO COC(=O)[C@H]1CC[N@@H+](Cc2nnn(C)n2)[C@H]1C ZINC000440493542 206076756 /nfs/dbraw/zinc/07/67/56/206076756.db2.gz XDYQLOLPPOOBQT-YUMQZZPRSA-N 1 2 239.279 -0.407 20 0 BBADLO COC(=O)[C@H]1CC[N@H+](Cc2nnn(C)n2)[C@H]1C ZINC000440493542 206076751 /nfs/dbraw/zinc/07/67/51/206076751.db2.gz XDYQLOLPPOOBQT-YUMQZZPRSA-N 1 2 239.279 -0.407 20 0 BBADLO CC[C@@H](F)C[NH+]1CCN(CC(N)=O)CC1 ZINC000440705331 387673811 /nfs/dbraw/zinc/67/38/11/387673811.db2.gz YYBKZGWZABTTQS-SECBINFHSA-N 1 2 217.288 -0.163 20 0 BBADLO CC[C@H](F)C[NH+]1CCN(CC(N)=O)CC1 ZINC000440705332 387675650 /nfs/dbraw/zinc/67/56/50/387675650.db2.gz YYBKZGWZABTTQS-VIFPVBQESA-N 1 2 217.288 -0.163 20 0 BBADLO COC(=O)CC[N@@H+](Cc1nnn(C)n1)C(C)C ZINC000440709953 387676758 /nfs/dbraw/zinc/67/67/58/387676758.db2.gz FFPMKWQKTSMMNM-UHFFFAOYSA-N 1 2 241.295 -0.016 20 0 BBADLO COC(=O)CC[N@H+](Cc1nnn(C)n1)C(C)C ZINC000440709953 387676752 /nfs/dbraw/zinc/67/67/52/387676752.db2.gz FFPMKWQKTSMMNM-UHFFFAOYSA-N 1 2 241.295 -0.016 20 0 BBADLO CC[C@@H](F)C[NH+]1CCN(C(=O)CO)CC1 ZINC000440773074 387692636 /nfs/dbraw/zinc/69/26/36/387692636.db2.gz IDTILDOMUFOHQE-SECBINFHSA-N 1 2 218.272 -0.129 20 0 BBADLO CC[C@H](F)C[NH+]1CCN(C(=O)CO)CC1 ZINC000440773076 387693942 /nfs/dbraw/zinc/69/39/42/387693942.db2.gz IDTILDOMUFOHQE-VIFPVBQESA-N 1 2 218.272 -0.129 20 0 BBADLO COC(=O)C[C@H]1CCC[N@H+]1Cc1nnnn1C ZINC000441138618 387731703 /nfs/dbraw/zinc/73/17/03/387731703.db2.gz MNDYQDDLWHJWER-MRVPVSSYSA-N 1 2 239.279 -0.262 20 0 BBADLO COC(=O)C[C@H]1CCC[N@@H+]1Cc1nnnn1C ZINC000441138618 387731698 /nfs/dbraw/zinc/73/16/98/387731698.db2.gz MNDYQDDLWHJWER-MRVPVSSYSA-N 1 2 239.279 -0.262 20 0 BBADLO COC(=O)C[C@@H]1CCC[N@H+]1Cc1nnnn1C ZINC000441138622 387730277 /nfs/dbraw/zinc/73/02/77/387730277.db2.gz MNDYQDDLWHJWER-QMMMGPOBSA-N 1 2 239.279 -0.262 20 0 BBADLO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1nnnn1C ZINC000441138622 387730272 /nfs/dbraw/zinc/73/02/72/387730272.db2.gz MNDYQDDLWHJWER-QMMMGPOBSA-N 1 2 239.279 -0.262 20 0 BBADLO CCC1(O)CC[NH+](Cc2nnnn2C)CC1 ZINC000441378838 386501129 /nfs/dbraw/zinc/50/11/29/386501129.db2.gz NBNOLZHVXVRINN-UHFFFAOYSA-N 1 2 225.296 -0.053 20 0 BBADLO COC(=O)[C@@H]1CCC[N@@H+](CCO)[C@@H]1C(=O)OC ZINC000441639571 387773825 /nfs/dbraw/zinc/77/38/25/387773825.db2.gz UNKKEZAGOUITIL-BDAKNGLRSA-N 1 2 245.275 -0.595 20 0 BBADLO COC(=O)[C@@H]1CCC[N@H+](CCO)[C@@H]1C(=O)OC ZINC000441639571 387773819 /nfs/dbraw/zinc/77/38/19/387773819.db2.gz UNKKEZAGOUITIL-BDAKNGLRSA-N 1 2 245.275 -0.595 20 0 BBADLO COC(=O)[C@H]1[C@@H](C(=O)OC)CCC[N@H+]1CCO ZINC000441639572 387773810 /nfs/dbraw/zinc/77/38/10/387773810.db2.gz UNKKEZAGOUITIL-DTWKUNHWSA-N 1 2 245.275 -0.595 20 0 BBADLO COC(=O)[C@H]1[C@@H](C(=O)OC)CCC[N@@H+]1CCO ZINC000441639572 387773807 /nfs/dbraw/zinc/77/38/07/387773807.db2.gz UNKKEZAGOUITIL-DTWKUNHWSA-N 1 2 245.275 -0.595 20 0 BBADLO COC(=O)[C@H]1CCC[N@@H+](CCO)[C@@H]1C(=O)OC ZINC000441639573 387773883 /nfs/dbraw/zinc/77/38/83/387773883.db2.gz UNKKEZAGOUITIL-IUCAKERBSA-N 1 2 245.275 -0.595 20 0 BBADLO COC(=O)[C@H]1CCC[N@H+](CCO)[C@@H]1C(=O)OC ZINC000441639573 387773879 /nfs/dbraw/zinc/77/38/79/387773879.db2.gz UNKKEZAGOUITIL-IUCAKERBSA-N 1 2 245.275 -0.595 20 0 BBADLO COC(=O)[C@@H]1CCC[N@@H+](CCO)[C@H]1C(=O)OC ZINC000441639574 387774296 /nfs/dbraw/zinc/77/42/96/387774296.db2.gz UNKKEZAGOUITIL-RKDXNWHRSA-N 1 2 245.275 -0.595 20 0 BBADLO COC(=O)[C@@H]1CCC[N@H+](CCO)[C@H]1C(=O)OC ZINC000441639574 387774294 /nfs/dbraw/zinc/77/42/94/387774294.db2.gz UNKKEZAGOUITIL-RKDXNWHRSA-N 1 2 245.275 -0.595 20 0 BBADLO CN(CCCO)C(=O)NCC[NH+]1CCOCC1 ZINC000442443315 387799030 /nfs/dbraw/zinc/79/90/30/387799030.db2.gz JXEQNTCXAFHLJM-UHFFFAOYSA-N 1 2 245.323 -0.658 20 0 BBADLO COC(=O)Cc1nc(NC(=O)C[NH+](C)C)n[nH]1 ZINC000442648266 387811591 /nfs/dbraw/zinc/81/15/91/387811591.db2.gz KNIKEHNUAWTUDS-UHFFFAOYSA-N 1 2 241.251 -0.980 20 0 BBADLO C[NH+](C)CC(=O)NC(C)(C)c1nn[nH]n1 ZINC000442669149 386425622 /nfs/dbraw/zinc/42/56/22/386425622.db2.gz GBOHNWWQUUOVAT-UHFFFAOYSA-N 1 2 212.257 -0.887 20 0 BBADLO CCC[C@H](NC(=O)C[NH+](C)C)c1nn[nH]n1 ZINC000442673465 387820685 /nfs/dbraw/zinc/82/06/85/387820685.db2.gz SETXVTNCBHOKND-ZETCQYMHSA-N 1 2 226.284 -0.281 20 0 BBADLO CC[C@@H](NC(=O)CNC(=O)NC)c1[nH]cc[nH+]1 ZINC000442800028 192993215 /nfs/dbraw/zinc/99/32/15/192993215.db2.gz JMZQZAOZCOCWBO-SSDOTTSWSA-N 1 2 239.279 -0.094 20 0 BBADLO CC[C@H](NC(=O)CNC(=O)NC)c1[nH]cc[nH+]1 ZINC000442800029 387843408 /nfs/dbraw/zinc/84/34/08/387843408.db2.gz JMZQZAOZCOCWBO-ZETCQYMHSA-N 1 2 239.279 -0.094 20 0 BBADLO C[C@H](CN(C)C(=O)C[NH+](C)C)c1nn[nH]n1 ZINC000442808758 387846520 /nfs/dbraw/zinc/84/65/20/387846520.db2.gz IFRBVETYWYTUNN-SSDOTTSWSA-N 1 2 226.284 -0.677 20 0 BBADLO C[C@@H](CN(C)C(=O)C[NH+](C)C)c1nn[nH]n1 ZINC000442808760 387846497 /nfs/dbraw/zinc/84/64/97/387846497.db2.gz IFRBVETYWYTUNN-ZETCQYMHSA-N 1 2 226.284 -0.677 20 0 BBADLO C[C@H](C(=O)N(C)CCCO)[NH+]1CCN(C)CC1 ZINC000443000101 193009381 /nfs/dbraw/zinc/00/93/81/193009381.db2.gz IRBCPMPFGPILDL-LLVKDONJSA-N 1 2 243.351 -0.537 20 0 BBADLO C[C@@H](C(=O)N(C)CCCO)[NH+]1CCN(C)CC1 ZINC000443000109 193009015 /nfs/dbraw/zinc/00/90/15/193009015.db2.gz IRBCPMPFGPILDL-NSHDSACASA-N 1 2 243.351 -0.537 20 0 BBADLO CO[C@H](C)CS(=O)(=O)NCc1[nH+]ccn1C ZINC000443048315 193010965 /nfs/dbraw/zinc/01/09/65/193010965.db2.gz QSNLGYKSAYEIPD-MRVPVSSYSA-N 1 2 247.320 -0.126 20 0 BBADLO CO[C@@H](C)CS(=O)(=O)NCc1[nH+]ccn1C ZINC000443048316 193011544 /nfs/dbraw/zinc/01/15/44/193011544.db2.gz QSNLGYKSAYEIPD-QMMMGPOBSA-N 1 2 247.320 -0.126 20 0 BBADLO CO[C@@H](C)CNC(=O)NCC[NH+]1CCOCC1 ZINC000443489029 193022759 /nfs/dbraw/zinc/02/27/59/193022759.db2.gz SUTWMRNEDKSJDN-JTQLQIEISA-N 1 2 245.323 -0.347 20 0 BBADLO CO[C@H](C)CNC(=O)NCC[NH+]1CCOCC1 ZINC000443489030 193021784 /nfs/dbraw/zinc/02/17/84/193021784.db2.gz SUTWMRNEDKSJDN-SNVBAGLBSA-N 1 2 245.323 -0.347 20 0 BBADLO CCOC(=O)CC(=O)NCc1c[nH]c[nH+]1 ZINC000443539870 193023759 /nfs/dbraw/zinc/02/37/59/193023759.db2.gz GOMZFUCOZQDIOT-UHFFFAOYSA-N 1 2 211.221 -0.021 20 0 BBADLO CCOC(=O)CC(=O)NCc1c[nH+]c[nH]1 ZINC000443539870 193023756 /nfs/dbraw/zinc/02/37/56/193023756.db2.gz GOMZFUCOZQDIOT-UHFFFAOYSA-N 1 2 211.221 -0.021 20 0 BBADLO O=S(=O)(NCC[NH+]1CCC1)c1c[nH]cn1 ZINC000443716881 193028821 /nfs/dbraw/zinc/02/88/21/193028821.db2.gz HKQLUZWXDKQLFC-UHFFFAOYSA-N 1 2 230.293 -0.606 20 0 BBADLO Cn1cnc(S(=O)(=O)NCC[NH+]2CCC2)c1 ZINC000443722416 193029137 /nfs/dbraw/zinc/02/91/37/193029137.db2.gz JAVBWIJKGRPSMS-UHFFFAOYSA-N 1 2 244.320 -0.596 20 0 BBADLO Cc1n[nH]cc1C[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000443859795 193031180 /nfs/dbraw/zinc/03/11/80/193031180.db2.gz YWTSWCUZSDRETJ-SECBINFHSA-N 1 2 244.320 -0.419 20 0 BBADLO Cc1n[nH]cc1C[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000443859795 193031177 /nfs/dbraw/zinc/03/11/77/193031177.db2.gz YWTSWCUZSDRETJ-SECBINFHSA-N 1 2 244.320 -0.419 20 0 BBADLO Cc1n[nH]cc1C[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000443859796 193030085 /nfs/dbraw/zinc/03/00/85/193030085.db2.gz YWTSWCUZSDRETJ-VIFPVBQESA-N 1 2 244.320 -0.419 20 0 BBADLO Cc1n[nH]cc1C[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000443859796 193030082 /nfs/dbraw/zinc/03/00/82/193030082.db2.gz YWTSWCUZSDRETJ-VIFPVBQESA-N 1 2 244.320 -0.419 20 0 BBADLO O=C(NCCn1cc[nH+]c1)C(=O)NCC(F)F ZINC000443951683 193032122 /nfs/dbraw/zinc/03/21/22/193032122.db2.gz KSFWHBBJUCHBCJ-UHFFFAOYSA-N 1 2 246.217 -0.619 20 0 BBADLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cnc[nH]2)CC1 ZINC000444383273 193046535 /nfs/dbraw/zinc/04/65/35/193046535.db2.gz OJPYOAMFOQUTNJ-SECBINFHSA-N 1 2 238.291 -0.452 20 0 BBADLO CCOCC[C@@H](O)C[N@@H+](C)CC(=O)OC ZINC000444590252 193051115 /nfs/dbraw/zinc/05/11/15/193051115.db2.gz LPNBPEAUZFQKMI-SECBINFHSA-N 1 2 219.281 -0.121 20 0 BBADLO CCOCC[C@@H](O)C[N@H+](C)CC(=O)OC ZINC000444590252 193051112 /nfs/dbraw/zinc/05/11/12/193051112.db2.gz LPNBPEAUZFQKMI-SECBINFHSA-N 1 2 219.281 -0.121 20 0 BBADLO CCOCC[C@H](O)C[N@@H+](C)CC(=O)OC ZINC000444590253 193052420 /nfs/dbraw/zinc/05/24/20/193052420.db2.gz LPNBPEAUZFQKMI-VIFPVBQESA-N 1 2 219.281 -0.121 20 0 BBADLO CCOCC[C@H](O)C[N@H+](C)CC(=O)OC ZINC000444590253 193052418 /nfs/dbraw/zinc/05/24/18/193052418.db2.gz LPNBPEAUZFQKMI-VIFPVBQESA-N 1 2 219.281 -0.121 20 0 BBADLO CC[C@@](C)(O)C[N@@H+](C)Cc1nnnn1C ZINC000444599013 193051365 /nfs/dbraw/zinc/05/13/65/193051365.db2.gz SFLBJBMFGJEJPK-SECBINFHSA-N 1 2 213.285 -0.197 20 0 BBADLO CC[C@@](C)(O)C[N@H+](C)Cc1nnnn1C ZINC000444599013 193051362 /nfs/dbraw/zinc/05/13/62/193051362.db2.gz SFLBJBMFGJEJPK-SECBINFHSA-N 1 2 213.285 -0.197 20 0 BBADLO CC[C@](C)(O)C[N@@H+](C)Cc1nnnn1C ZINC000444599014 193052387 /nfs/dbraw/zinc/05/23/87/193052387.db2.gz SFLBJBMFGJEJPK-VIFPVBQESA-N 1 2 213.285 -0.197 20 0 BBADLO CC[C@](C)(O)C[N@H+](C)Cc1nnnn1C ZINC000444599014 193052384 /nfs/dbraw/zinc/05/23/84/193052384.db2.gz SFLBJBMFGJEJPK-VIFPVBQESA-N 1 2 213.285 -0.197 20 0 BBADLO CCOCC[C@@H](O)C[N@@H+](C)Cc1nnnn1C ZINC000444638261 387895681 /nfs/dbraw/zinc/89/56/81/387895681.db2.gz INEBOQDOJJXCCH-SECBINFHSA-N 1 2 243.311 -0.571 20 0 BBADLO CCOCC[C@@H](O)C[N@H+](C)Cc1nnnn1C ZINC000444638261 387895677 /nfs/dbraw/zinc/89/56/77/387895677.db2.gz INEBOQDOJJXCCH-SECBINFHSA-N 1 2 243.311 -0.571 20 0 BBADLO CCOCC[C@H](O)C[N@@H+](C)Cc1nnnn1C ZINC000444638262 387896198 /nfs/dbraw/zinc/89/61/98/387896198.db2.gz INEBOQDOJJXCCH-VIFPVBQESA-N 1 2 243.311 -0.571 20 0 BBADLO CCOCC[C@H](O)C[N@H+](C)Cc1nnnn1C ZINC000444638262 387896195 /nfs/dbraw/zinc/89/61/95/387896195.db2.gz INEBOQDOJJXCCH-VIFPVBQESA-N 1 2 243.311 -0.571 20 0 BBADLO CCOCC[C@H](O)C[NH+]1CCS(=O)CC1 ZINC000444646053 201614860 /nfs/dbraw/zinc/61/48/60/201614860.db2.gz YIZSZHRMARHTRC-JTQLQIEISA-N 1 2 235.349 -0.162 20 0 BBADLO CCOCC[C@@H](O)C[NH+]1CCS(=O)CC1 ZINC000444646054 387898692 /nfs/dbraw/zinc/89/86/92/387898692.db2.gz YIZSZHRMARHTRC-SNVBAGLBSA-N 1 2 235.349 -0.162 20 0 BBADLO C[C@@H](O)C[NH+]1CCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000444655925 387900504 /nfs/dbraw/zinc/90/05/04/387900504.db2.gz YOCXGLVRBWPQLO-MRVPVSSYSA-N 1 2 241.295 -0.991 20 0 BBADLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)nn1C ZINC000444688965 387911222 /nfs/dbraw/zinc/91/12/22/387911222.db2.gz DTGXLZNGNBWQLI-AOOOYVTPSA-N 1 2 211.265 -0.734 20 0 BBADLO Cc1cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)nn1C ZINC000444688965 387911217 /nfs/dbraw/zinc/91/12/17/387911217.db2.gz DTGXLZNGNBWQLI-AOOOYVTPSA-N 1 2 211.265 -0.734 20 0 BBADLO Cc1cc(C[NH+]2C[C@@H](O)[C@H](O)C2)nn1C ZINC000444688966 387909698 /nfs/dbraw/zinc/90/96/98/387909698.db2.gz DTGXLZNGNBWQLI-NXEZZACHSA-N 1 2 211.265 -0.734 20 0 BBADLO Cc1cc(C[NH+]2C[C@H](O)[C@@H](O)C2)nn1C ZINC000444688967 387911363 /nfs/dbraw/zinc/91/13/63/387911363.db2.gz DTGXLZNGNBWQLI-UWVGGRQHSA-N 1 2 211.265 -0.734 20 0 BBADLO CCOCC[C@@H](O)C[N@H+]1CCN(CC)C(=O)C1 ZINC000444691465 387910447 /nfs/dbraw/zinc/91/04/47/387910447.db2.gz ZEZSIWWGXYMPHP-LLVKDONJSA-N 1 2 244.335 -0.062 20 0 BBADLO CCOCC[C@@H](O)C[N@@H+]1CCN(CC)C(=O)C1 ZINC000444691465 387910442 /nfs/dbraw/zinc/91/04/42/387910442.db2.gz ZEZSIWWGXYMPHP-LLVKDONJSA-N 1 2 244.335 -0.062 20 0 BBADLO CCOCC[C@H](O)C[N@H+]1CCN(CC)C(=O)C1 ZINC000444691466 387909763 /nfs/dbraw/zinc/90/97/63/387909763.db2.gz ZEZSIWWGXYMPHP-NSHDSACASA-N 1 2 244.335 -0.062 20 0 BBADLO CCOCC[C@H](O)C[N@@H+]1CCN(CC)C(=O)C1 ZINC000444691466 387909760 /nfs/dbraw/zinc/90/97/60/387909760.db2.gz ZEZSIWWGXYMPHP-NSHDSACASA-N 1 2 244.335 -0.062 20 0 BBADLO CCOCC[C@@H](O)C[N@H+]1CCc2nn[nH]c2C1 ZINC000444699560 387912617 /nfs/dbraw/zinc/91/26/17/387912617.db2.gz DURPNNOSHYSICA-SECBINFHSA-N 1 2 240.307 -0.050 20 0 BBADLO CCOCC[C@@H](O)C[N@@H+]1CCc2nn[nH]c2C1 ZINC000444699560 387912612 /nfs/dbraw/zinc/91/26/12/387912612.db2.gz DURPNNOSHYSICA-SECBINFHSA-N 1 2 240.307 -0.050 20 0 BBADLO CCOCC[C@H](O)C[N@H+]1CCc2nn[nH]c2C1 ZINC000444699563 387914177 /nfs/dbraw/zinc/91/41/77/387914177.db2.gz DURPNNOSHYSICA-VIFPVBQESA-N 1 2 240.307 -0.050 20 0 BBADLO CCOCC[C@H](O)C[N@@H+]1CCc2nn[nH]c2C1 ZINC000444699563 387914175 /nfs/dbraw/zinc/91/41/75/387914175.db2.gz DURPNNOSHYSICA-VIFPVBQESA-N 1 2 240.307 -0.050 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444797177 201637000 /nfs/dbraw/zinc/63/70/00/201637000.db2.gz XIYNMXBRBIIUPN-BDAKNGLRSA-N 1 2 248.348 -0.241 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444797177 201636997 /nfs/dbraw/zinc/63/69/97/201636997.db2.gz XIYNMXBRBIIUPN-BDAKNGLRSA-N 1 2 248.348 -0.241 20 0 BBADLO C[C@@H](C(N)=O)[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000444797178 387931612 /nfs/dbraw/zinc/93/16/12/387931612.db2.gz XIYNMXBRBIIUPN-DTWKUNHWSA-N 1 2 248.348 -0.241 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000444797178 387931609 /nfs/dbraw/zinc/93/16/09/387931609.db2.gz XIYNMXBRBIIUPN-DTWKUNHWSA-N 1 2 248.348 -0.241 20 0 BBADLO C[C@@H](C(N)=O)[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444797179 387932610 /nfs/dbraw/zinc/93/26/10/387932610.db2.gz XIYNMXBRBIIUPN-IUCAKERBSA-N 1 2 248.348 -0.241 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444797179 387932606 /nfs/dbraw/zinc/93/26/06/387932606.db2.gz XIYNMXBRBIIUPN-IUCAKERBSA-N 1 2 248.348 -0.241 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000444797180 387932994 /nfs/dbraw/zinc/93/29/94/387932994.db2.gz XIYNMXBRBIIUPN-RKDXNWHRSA-N 1 2 248.348 -0.241 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000444797180 387932991 /nfs/dbraw/zinc/93/29/91/387932991.db2.gz XIYNMXBRBIIUPN-RKDXNWHRSA-N 1 2 248.348 -0.241 20 0 BBADLO Cn1cc(C(N)=O)cc1C(=O)NCc1[nH]cc[nH+]1 ZINC000446054867 201664068 /nfs/dbraw/zinc/66/40/68/201664068.db2.gz PQVNTBDQALFZOF-UHFFFAOYSA-N 1 2 247.258 -0.223 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)[C@H](C)[C@@H](C)O1 ZINC000446063792 387990036 /nfs/dbraw/zinc/99/00/36/387990036.db2.gz SGARVYSKFNCIFW-BWZBUEFSSA-N 1 2 229.280 -0.321 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)[C@H](C)[C@@H](C)O1 ZINC000446063792 387990028 /nfs/dbraw/zinc/99/00/28/387990028.db2.gz SGARVYSKFNCIFW-BWZBUEFSSA-N 1 2 229.280 -0.321 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)[C@@H](C)[C@H](C)O1 ZINC000446063793 387989507 /nfs/dbraw/zinc/98/95/07/387989507.db2.gz SGARVYSKFNCIFW-CSMHCCOUSA-N 1 2 229.280 -0.321 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)[C@@H](C)[C@H](C)O1 ZINC000446063793 387989503 /nfs/dbraw/zinc/98/95/03/387989503.db2.gz SGARVYSKFNCIFW-CSMHCCOUSA-N 1 2 229.280 -0.321 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)[C@@H](C)[C@@H](C)O1 ZINC000446063794 387989177 /nfs/dbraw/zinc/98/91/77/387989177.db2.gz SGARVYSKFNCIFW-GJMOJQLCSA-N 1 2 229.280 -0.321 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)[C@@H](C)[C@@H](C)O1 ZINC000446063794 387989173 /nfs/dbraw/zinc/98/91/73/387989173.db2.gz SGARVYSKFNCIFW-GJMOJQLCSA-N 1 2 229.280 -0.321 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)[C@H](C)[C@H](C)O1 ZINC000446063795 387989524 /nfs/dbraw/zinc/98/95/24/387989524.db2.gz SGARVYSKFNCIFW-PRJMDXOYSA-N 1 2 229.280 -0.321 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)[C@H](C)[C@H](C)O1 ZINC000446063795 387989520 /nfs/dbraw/zinc/98/95/20/387989520.db2.gz SGARVYSKFNCIFW-PRJMDXOYSA-N 1 2 229.280 -0.321 20 0 BBADLO COCCC[N@@H+](CCO)Cc1n[nH]c(=O)[nH]1 ZINC000446066555 387989131 /nfs/dbraw/zinc/98/91/31/387989131.db2.gz BVDHORMYFHFFNV-UHFFFAOYSA-N 1 2 230.268 -0.659 20 0 BBADLO COCCC[N@H+](CCO)Cc1n[nH]c(=O)[nH]1 ZINC000446066555 387989127 /nfs/dbraw/zinc/98/91/27/387989127.db2.gz BVDHORMYFHFFNV-UHFFFAOYSA-N 1 2 230.268 -0.659 20 0 BBADLO CNC(=O)NC(=O)C[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446068616 387992916 /nfs/dbraw/zinc/99/29/16/387992916.db2.gz ICJDKTDQYCZRQS-CIUDSAMLSA-N 1 2 243.307 -0.060 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446068616 387992913 /nfs/dbraw/zinc/99/29/13/387992913.db2.gz ICJDKTDQYCZRQS-CIUDSAMLSA-N 1 2 243.307 -0.060 20 0 BBADLO CNC(=O)NC(=O)C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446068618 387993482 /nfs/dbraw/zinc/99/34/82/387993482.db2.gz ICJDKTDQYCZRQS-DJLDLDEBSA-N 1 2 243.307 -0.060 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446068618 387993476 /nfs/dbraw/zinc/99/34/76/387993476.db2.gz ICJDKTDQYCZRQS-DJLDLDEBSA-N 1 2 243.307 -0.060 20 0 BBADLO CNC(=O)NC(=O)C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446068619 387992426 /nfs/dbraw/zinc/99/24/26/387992426.db2.gz ICJDKTDQYCZRQS-XHNCKOQMSA-N 1 2 243.307 -0.060 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446068619 387992423 /nfs/dbraw/zinc/99/24/23/387992423.db2.gz ICJDKTDQYCZRQS-XHNCKOQMSA-N 1 2 243.307 -0.060 20 0 BBADLO CNC(=O)NC(=O)C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446068620 387992860 /nfs/dbraw/zinc/99/28/60/387992860.db2.gz ICJDKTDQYCZRQS-YIZRAAEISA-N 1 2 243.307 -0.060 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446068620 387992855 /nfs/dbraw/zinc/99/28/55/387992855.db2.gz ICJDKTDQYCZRQS-YIZRAAEISA-N 1 2 243.307 -0.060 20 0 BBADLO COCCC[N@@H+](CCO)Cc1nnnn1C ZINC000446068705 387992742 /nfs/dbraw/zinc/99/27/42/387992742.db2.gz SESCZXNTPPIBTO-UHFFFAOYSA-N 1 2 229.284 -0.959 20 0 BBADLO COCCC[N@H+](CCO)Cc1nnnn1C ZINC000446068705 387992740 /nfs/dbraw/zinc/99/27/40/387992740.db2.gz SESCZXNTPPIBTO-UHFFFAOYSA-N 1 2 229.284 -0.959 20 0 BBADLO Cn1nnnc1C[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000446074704 387994624 /nfs/dbraw/zinc/99/46/24/387994624.db2.gz TUCHSUODSQMUQL-MRVPVSSYSA-N 1 2 225.296 -0.197 20 0 BBADLO Cn1nnnc1C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000446074704 387994619 /nfs/dbraw/zinc/99/46/19/387994619.db2.gz TUCHSUODSQMUQL-MRVPVSSYSA-N 1 2 225.296 -0.197 20 0 BBADLO Cn1nnnc1C[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000446074705 387995141 /nfs/dbraw/zinc/99/51/41/387995141.db2.gz TUCHSUODSQMUQL-QMMMGPOBSA-N 1 2 225.296 -0.197 20 0 BBADLO Cn1nnnc1C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000446074705 387995138 /nfs/dbraw/zinc/99/51/38/387995138.db2.gz TUCHSUODSQMUQL-QMMMGPOBSA-N 1 2 225.296 -0.197 20 0 BBADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)CC1(CO)CC1 ZINC000446078456 387998220 /nfs/dbraw/zinc/99/82/20/387998220.db2.gz HCXYOPASYUJSNO-UHFFFAOYSA-N 1 2 212.253 -0.285 20 0 BBADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)CC1(CO)CC1 ZINC000446078456 387998216 /nfs/dbraw/zinc/99/82/16/387998216.db2.gz HCXYOPASYUJSNO-UHFFFAOYSA-N 1 2 212.253 -0.285 20 0 BBADLO CC(=O)NCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000446307532 388012858 /nfs/dbraw/zinc/01/28/58/388012858.db2.gz JWABMOKJTFGDEU-SECBINFHSA-N 1 2 238.291 -0.229 20 0 BBADLO CC(=O)NCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000446307533 388012436 /nfs/dbraw/zinc/01/24/36/388012436.db2.gz JWABMOKJTFGDEU-VIFPVBQESA-N 1 2 238.291 -0.229 20 0 BBADLO Cn1cc(C(N)=O)cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000446307756 388013764 /nfs/dbraw/zinc/01/37/64/388013764.db2.gz NAHOZODGMZKRCV-UHFFFAOYSA-N 1 2 247.258 -0.223 20 0 BBADLO Cn1cc(C(N)=O)cc1C(=O)NCc1c[nH+]c[nH]1 ZINC000446307756 388013762 /nfs/dbraw/zinc/01/37/62/388013762.db2.gz NAHOZODGMZKRCV-UHFFFAOYSA-N 1 2 247.258 -0.223 20 0 BBADLO Cc1nc(NCc2cc(C(N)=O)no2)cc[nH+]1 ZINC000446863373 490101494 /nfs/dbraw/zinc/10/14/94/490101494.db2.gz WUWRQYROEIPHDK-UHFFFAOYSA-N 1 2 233.231 0.484 20 0 BBADLO Cc1cc(NCc2cc(C(N)=O)no2)nc[nH+]1 ZINC000446863701 411652244 /nfs/dbraw/zinc/65/22/44/411652244.db2.gz WXZHVRGYOHIQNA-UHFFFAOYSA-N 1 2 233.231 0.484 20 0 BBADLO Cn1c[nH+]cc1CNc1nc2ncccn2n1 ZINC000446952341 412159714 /nfs/dbraw/zinc/15/97/14/412159714.db2.gz NMGAMHPECHLLBR-UHFFFAOYSA-N 1 2 229.247 0.470 20 0 BBADLO CC[C@@H]1C[N@@H+](CCNC(N)=O)CCO1 ZINC000447185819 388056114 /nfs/dbraw/zinc/05/61/14/388056114.db2.gz SVKSFBDKCZHELH-MRVPVSSYSA-N 1 2 201.270 -0.235 20 0 BBADLO CC[C@@H]1C[N@H+](CCNC(N)=O)CCO1 ZINC000447185819 388056110 /nfs/dbraw/zinc/05/61/10/388056110.db2.gz SVKSFBDKCZHELH-MRVPVSSYSA-N 1 2 201.270 -0.235 20 0 BBADLO CC[C@H]1C[N@@H+](CCNC(N)=O)CCO1 ZINC000447185820 388056830 /nfs/dbraw/zinc/05/68/30/388056830.db2.gz SVKSFBDKCZHELH-QMMMGPOBSA-N 1 2 201.270 -0.235 20 0 BBADLO CC[C@H]1C[N@H+](CCNC(N)=O)CCO1 ZINC000447185820 388056827 /nfs/dbraw/zinc/05/68/27/388056827.db2.gz SVKSFBDKCZHELH-QMMMGPOBSA-N 1 2 201.270 -0.235 20 0 BBADLO C[C@@H](O)CCCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000447624711 388084251 /nfs/dbraw/zinc/08/42/51/388084251.db2.gz QIZCVULCCMJIMB-GHMZBOCLSA-N 1 2 244.335 -0.016 20 0 BBADLO C[C@@H](O)CCCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000447624712 388084257 /nfs/dbraw/zinc/08/42/57/388084257.db2.gz QIZCVULCCMJIMB-MNOVXSKESA-N 1 2 244.335 -0.016 20 0 BBADLO C[C@H](O)CCCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000447624713 388084129 /nfs/dbraw/zinc/08/41/29/388084129.db2.gz QIZCVULCCMJIMB-QWRGUYRKSA-N 1 2 244.335 -0.016 20 0 BBADLO C[C@H](C(=O)NCCC[C@H](C)O)[NH+]1CCOCC1 ZINC000447624714 388084000 /nfs/dbraw/zinc/08/40/00/388084000.db2.gz QIZCVULCCMJIMB-WDEREUQCSA-N 1 2 244.335 -0.016 20 0 BBADLO C[C@H](O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000447648547 388085495 /nfs/dbraw/zinc/08/54/95/388085495.db2.gz BRKSBCZBLJQEIT-AXFHLTTASA-N 1 2 244.335 -0.065 20 0 BBADLO C[C@H](O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000447648547 388085494 /nfs/dbraw/zinc/08/54/94/388085494.db2.gz BRKSBCZBLJQEIT-AXFHLTTASA-N 1 2 244.335 -0.065 20 0 BBADLO C[C@@H](O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000447648548 388085239 /nfs/dbraw/zinc/08/52/39/388085239.db2.gz BRKSBCZBLJQEIT-OUAUKWLOSA-N 1 2 244.335 -0.065 20 0 BBADLO C[C@@H](O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000447648548 388085235 /nfs/dbraw/zinc/08/52/35/388085235.db2.gz BRKSBCZBLJQEIT-OUAUKWLOSA-N 1 2 244.335 -0.065 20 0 BBADLO C[C@@H](O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000447655836 388086129 /nfs/dbraw/zinc/08/61/29/388086129.db2.gz GIJFBKNWUANLPX-NXEZZACHSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@H](O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000447655837 388086151 /nfs/dbraw/zinc/08/61/51/388086151.db2.gz GIJFBKNWUANLPX-UWVGGRQHSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@@H](O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000447655838 388086177 /nfs/dbraw/zinc/08/61/77/388086177.db2.gz GIJFBKNWUANLPX-VHSXEESVSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H](C)O ZINC000447655839 201732108 /nfs/dbraw/zinc/73/21/08/201732108.db2.gz GIJFBKNWUANLPX-ZJUUUORDSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CO ZINC000447657781 201731678 /nfs/dbraw/zinc/73/16/78/201731678.db2.gz WCMOOQKDNWZWAG-SECBINFHSA-N 1 2 216.281 -0.842 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CO ZINC000447657782 388086001 /nfs/dbraw/zinc/08/60/01/388086001.db2.gz WCMOOQKDNWZWAG-VIFPVBQESA-N 1 2 216.281 -0.842 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(C)(C)O ZINC000447659324 388086347 /nfs/dbraw/zinc/08/63/47/388086347.db2.gz DJVOOSLKZJVSLC-JTQLQIEISA-N 1 2 244.335 -0.064 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(C)(C)O ZINC000447659325 388086137 /nfs/dbraw/zinc/08/61/37/388086137.db2.gz DJVOOSLKZJVSLC-SNVBAGLBSA-N 1 2 244.335 -0.064 20 0 BBADLO C[C@H](O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000447661685 388086398 /nfs/dbraw/zinc/08/63/98/388086398.db2.gz XENQBIRYVZRKGO-JTQLQIEISA-N 1 2 244.335 -0.064 20 0 BBADLO C[C@H](O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000447661685 388086396 /nfs/dbraw/zinc/08/63/96/388086396.db2.gz XENQBIRYVZRKGO-JTQLQIEISA-N 1 2 244.335 -0.064 20 0 BBADLO CC1(C)C[N@@H+](Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC000447796681 388092776 /nfs/dbraw/zinc/09/27/76/388092776.db2.gz XMXRCIGCKLUFKH-LURJTMIESA-N 1 2 212.253 -0.287 20 0 BBADLO CC1(C)C[N@H+](Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC000447796681 388092774 /nfs/dbraw/zinc/09/27/74/388092774.db2.gz XMXRCIGCKLUFKH-LURJTMIESA-N 1 2 212.253 -0.287 20 0 BBADLO CC1(C)C[N@@H+](Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC000447796682 388092673 /nfs/dbraw/zinc/09/26/73/388092673.db2.gz XMXRCIGCKLUFKH-ZCFIWIBFSA-N 1 2 212.253 -0.287 20 0 BBADLO CC1(C)C[N@H+](Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC000447796682 388092671 /nfs/dbraw/zinc/09/26/71/388092671.db2.gz XMXRCIGCKLUFKH-ZCFIWIBFSA-N 1 2 212.253 -0.287 20 0 BBADLO Cn1[nH]c(C[N@H+]2C[C@@H](O)C(C)(C)C2)nc1=O ZINC000447871143 388099603 /nfs/dbraw/zinc/09/96/03/388099603.db2.gz IAXRFWXPCKYBKS-SSDOTTSWSA-N 1 2 226.280 -0.689 20 0 BBADLO Cn1[nH]c(C[N@@H+]2C[C@@H](O)C(C)(C)C2)nc1=O ZINC000447871143 388099601 /nfs/dbraw/zinc/09/96/01/388099601.db2.gz IAXRFWXPCKYBKS-SSDOTTSWSA-N 1 2 226.280 -0.689 20 0 BBADLO Cn1[nH]c(C[N@H+]2C[C@H](O)C(C)(C)C2)nc1=O ZINC000447871144 388099435 /nfs/dbraw/zinc/09/94/35/388099435.db2.gz IAXRFWXPCKYBKS-ZETCQYMHSA-N 1 2 226.280 -0.689 20 0 BBADLO Cn1[nH]c(C[N@@H+]2C[C@H](O)C(C)(C)C2)nc1=O ZINC000447871144 388099433 /nfs/dbraw/zinc/09/94/33/388099433.db2.gz IAXRFWXPCKYBKS-ZETCQYMHSA-N 1 2 226.280 -0.689 20 0 BBADLO O=C1CN(CC[NH+]2CCOCC2)CN1C1CC1 ZINC000447921856 201750560 /nfs/dbraw/zinc/75/05/60/201750560.db2.gz MRVMZWKYLQZJRU-UHFFFAOYSA-N 1 2 239.319 -0.417 20 0 BBADLO Cn1nnnc1C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000447925911 388103194 /nfs/dbraw/zinc/10/31/94/388103194.db2.gz KLEGDCVBBDPPTG-SSDOTTSWSA-N 1 2 211.269 -0.587 20 0 BBADLO Cn1nnnc1C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000447925911 388103192 /nfs/dbraw/zinc/10/31/92/388103192.db2.gz KLEGDCVBBDPPTG-SSDOTTSWSA-N 1 2 211.269 -0.587 20 0 BBADLO Cn1nnnc1C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000447925912 388103726 /nfs/dbraw/zinc/10/37/26/388103726.db2.gz KLEGDCVBBDPPTG-ZETCQYMHSA-N 1 2 211.269 -0.587 20 0 BBADLO Cn1nnnc1C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000447925912 388103724 /nfs/dbraw/zinc/10/37/24/388103724.db2.gz KLEGDCVBBDPPTG-ZETCQYMHSA-N 1 2 211.269 -0.587 20 0 BBADLO Cn1ccc(NC(=O)NCc2ccc(N)[nH+]c2)n1 ZINC000448542849 411951452 /nfs/dbraw/zinc/95/14/52/411951452.db2.gz NWBXJQIJKPUDLQ-UHFFFAOYSA-N 1 2 246.274 0.141 20 0 BBADLO C[C@@H]1C[N@H+]([C@H]2CCCCNC2=O)CC(=O)N1 ZINC000448551660 201225804 /nfs/dbraw/zinc/22/58/04/201225804.db2.gz PQIZTFPGECFJCU-BDAKNGLRSA-N 1 2 225.292 -0.525 20 0 BBADLO C[C@@H]1C[N@@H+]([C@H]2CCCCNC2=O)CC(=O)N1 ZINC000448551660 201225802 /nfs/dbraw/zinc/22/58/02/201225802.db2.gz PQIZTFPGECFJCU-BDAKNGLRSA-N 1 2 225.292 -0.525 20 0 BBADLO C[C@H]1C[N@H+]([C@@H]2CCCCNC2=O)CC(=O)N1 ZINC000448551661 201224889 /nfs/dbraw/zinc/22/48/89/201224889.db2.gz PQIZTFPGECFJCU-DTWKUNHWSA-N 1 2 225.292 -0.525 20 0 BBADLO C[C@H]1C[N@@H+]([C@@H]2CCCCNC2=O)CC(=O)N1 ZINC000448551661 201224886 /nfs/dbraw/zinc/22/48/86/201224886.db2.gz PQIZTFPGECFJCU-DTWKUNHWSA-N 1 2 225.292 -0.525 20 0 BBADLO C[C@H]1C[N@H+]([C@H]2CCCCNC2=O)CC(=O)N1 ZINC000448551662 201225607 /nfs/dbraw/zinc/22/56/07/201225607.db2.gz PQIZTFPGECFJCU-IUCAKERBSA-N 1 2 225.292 -0.525 20 0 BBADLO C[C@H]1C[N@@H+]([C@H]2CCCCNC2=O)CC(=O)N1 ZINC000448551662 201225603 /nfs/dbraw/zinc/22/56/03/201225603.db2.gz PQIZTFPGECFJCU-IUCAKERBSA-N 1 2 225.292 -0.525 20 0 BBADLO C[C@@H]1C[N@H+]([C@@H]2CCCCNC2=O)CC(=O)N1 ZINC000448551663 201225362 /nfs/dbraw/zinc/22/53/62/201225362.db2.gz PQIZTFPGECFJCU-RKDXNWHRSA-N 1 2 225.292 -0.525 20 0 BBADLO C[C@@H]1C[N@@H+]([C@@H]2CCCCNC2=O)CC(=O)N1 ZINC000448551663 201225360 /nfs/dbraw/zinc/22/53/60/201225360.db2.gz PQIZTFPGECFJCU-RKDXNWHRSA-N 1 2 225.292 -0.525 20 0 BBADLO C[C@@H]1C[N@@H+]([C@H]2CC(=O)N(C)C2=O)C[C@H](C)N1C ZINC000448554850 201259192 /nfs/dbraw/zinc/25/91/92/201259192.db2.gz IQPYWLOIRVSXMX-AEJSXWLSSA-N 1 2 239.319 -0.232 20 0 BBADLO C[C@@H]1C[N@H+]([C@H]2CC(=O)N(C)C2=O)C[C@H](C)N1C ZINC000448554850 201259189 /nfs/dbraw/zinc/25/91/89/201259189.db2.gz IQPYWLOIRVSXMX-AEJSXWLSSA-N 1 2 239.319 -0.232 20 0 BBADLO C[C@@H]1C[N@@H+]([C@@H]2CC(=O)N(C)C2=O)C[C@H](C)N1C ZINC000448554851 201259819 /nfs/dbraw/zinc/25/98/19/201259819.db2.gz IQPYWLOIRVSXMX-KXUCPTDWSA-N 1 2 239.319 -0.232 20 0 BBADLO C[C@@H]1C[N@H+]([C@@H]2CC(=O)N(C)C2=O)C[C@H](C)N1C ZINC000448554851 201259816 /nfs/dbraw/zinc/25/98/16/201259816.db2.gz IQPYWLOIRVSXMX-KXUCPTDWSA-N 1 2 239.319 -0.232 20 0 BBADLO CC1(O)CC(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000448561256 201276010 /nfs/dbraw/zinc/27/60/10/201276010.db2.gz MJYUTCAMBBIJKX-UHFFFAOYSA-N 1 2 242.319 -0.404 20 0 BBADLO CCC[C@@H](OC)C(=O)N1CC[NH+](CCO)CC1 ZINC000448672706 387821611 /nfs/dbraw/zinc/82/16/11/387821611.db2.gz IIHDSEFGJSPSEW-LLVKDONJSA-N 1 2 244.335 -0.062 20 0 BBADLO CCC[C@H](OC)C(=O)N1CC[NH+](CCO)CC1 ZINC000448672707 387821109 /nfs/dbraw/zinc/82/11/09/387821109.db2.gz IIHDSEFGJSPSEW-NSHDSACASA-N 1 2 244.335 -0.062 20 0 BBADLO CC1(O)CC(C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000448673139 387824944 /nfs/dbraw/zinc/82/49/44/387824944.db2.gz NRXOCHIVEWCTSD-UHFFFAOYSA-N 1 2 242.319 -0.716 20 0 BBADLO O=C(NCC[NH+]1CCOCC1)[C@H](O)C1CCC1 ZINC000449062986 388137731 /nfs/dbraw/zinc/13/77/31/388137731.db2.gz ZRHNYDGZKGDSIK-LLVKDONJSA-N 1 2 242.319 -0.404 20 0 BBADLO O=C(NCC[NH+]1CCOCC1)[C@@H](O)C1CCC1 ZINC000449062995 388137336 /nfs/dbraw/zinc/13/73/36/388137336.db2.gz ZRHNYDGZKGDSIK-NSHDSACASA-N 1 2 242.319 -0.404 20 0 BBADLO COC(=O)COC[C@@H](C)[NH2+]CC(F)(F)CO ZINC000449251891 388162495 /nfs/dbraw/zinc/16/24/95/388162495.db2.gz RDFIRNOMXVZZDO-SSDOTTSWSA-N 1 2 241.234 -0.218 20 0 BBADLO COC(=O)COC[C@H](C)[NH2+]CC(F)(F)CO ZINC000449251892 388162821 /nfs/dbraw/zinc/16/28/21/388162821.db2.gz RDFIRNOMXVZZDO-ZETCQYMHSA-N 1 2 241.234 -0.218 20 0 BBADLO O=C([C@H](O)C1CCC1)N1CC[NH+](CCO)CC1 ZINC000449483738 388216043 /nfs/dbraw/zinc/21/60/43/388216043.db2.gz KDBCQQRDJZQEER-LLVKDONJSA-N 1 2 242.319 -0.716 20 0 BBADLO O=C([C@@H](O)C1CCC1)N1CC[NH+](CCO)CC1 ZINC000449483739 385183441 /nfs/dbraw/zinc/18/34/41/385183441.db2.gz KDBCQQRDJZQEER-NSHDSACASA-N 1 2 242.319 -0.716 20 0 BBADLO C[N@H+]1CCO[C@H](CNC(=O)[C@H](O)C2CCC2)C1 ZINC000449820980 202042604 /nfs/dbraw/zinc/04/26/04/202042604.db2.gz OKKDVOGJHIMRFL-GHMZBOCLSA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@@H+]1CCO[C@H](CNC(=O)[C@H](O)C2CCC2)C1 ZINC000449820980 202042602 /nfs/dbraw/zinc/04/26/02/202042602.db2.gz OKKDVOGJHIMRFL-GHMZBOCLSA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@H+]1CCO[C@H](CNC(=O)[C@@H](O)C2CCC2)C1 ZINC000449820983 202042269 /nfs/dbraw/zinc/04/22/69/202042269.db2.gz OKKDVOGJHIMRFL-MNOVXSKESA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](O)C2CCC2)C1 ZINC000449820983 202042265 /nfs/dbraw/zinc/04/22/65/202042265.db2.gz OKKDVOGJHIMRFL-MNOVXSKESA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@H+]1CCO[C@@H](CNC(=O)[C@@H](O)C2CCC2)C1 ZINC000449820984 202041681 /nfs/dbraw/zinc/04/16/81/202041681.db2.gz OKKDVOGJHIMRFL-QWRGUYRKSA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](O)C2CCC2)C1 ZINC000449820984 202041677 /nfs/dbraw/zinc/04/16/77/202041677.db2.gz OKKDVOGJHIMRFL-QWRGUYRKSA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@H+]1CCO[C@@H](CNC(=O)[C@H](O)C2CCC2)C1 ZINC000449820986 202042042 /nfs/dbraw/zinc/04/20/42/202042042.db2.gz OKKDVOGJHIMRFL-WDEREUQCSA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](O)C2CCC2)C1 ZINC000449820986 202042040 /nfs/dbraw/zinc/04/20/40/202042040.db2.gz OKKDVOGJHIMRFL-WDEREUQCSA-N 1 2 242.319 -0.406 20 0 BBADLO CCOC(=O)C[N@@H+](C)C[C@](C)(O)C(C)=O ZINC000450328183 202129342 /nfs/dbraw/zinc/12/93/42/202129342.db2.gz OBPCHMKFNBNTSX-JTQLQIEISA-N 1 2 217.265 -0.179 20 0 BBADLO CCOC(=O)C[N@H+](C)C[C@](C)(O)C(C)=O ZINC000450328183 202129339 /nfs/dbraw/zinc/12/93/39/202129339.db2.gz OBPCHMKFNBNTSX-JTQLQIEISA-N 1 2 217.265 -0.179 20 0 BBADLO CCOC(=O)C[N@@H+](C)C[C@@](C)(O)C(C)=O ZINC000450328185 202130470 /nfs/dbraw/zinc/13/04/70/202130470.db2.gz OBPCHMKFNBNTSX-SNVBAGLBSA-N 1 2 217.265 -0.179 20 0 BBADLO CCOC(=O)C[N@H+](C)C[C@@](C)(O)C(C)=O ZINC000450328185 202130467 /nfs/dbraw/zinc/13/04/67/202130467.db2.gz OBPCHMKFNBNTSX-SNVBAGLBSA-N 1 2 217.265 -0.179 20 0 BBADLO CC[N@H+](CC(=O)OC)C[C@@H]1COCCO1 ZINC000450348317 202138685 /nfs/dbraw/zinc/13/86/85/202138685.db2.gz LEOFIJNLQAAIBN-SECBINFHSA-N 1 2 217.265 -0.103 20 0 BBADLO CC[N@@H+](CC(=O)OC)C[C@@H]1COCCO1 ZINC000450348317 202138684 /nfs/dbraw/zinc/13/86/84/202138684.db2.gz LEOFIJNLQAAIBN-SECBINFHSA-N 1 2 217.265 -0.103 20 0 BBADLO CC[N@H+](CC(=O)OC)C[C@H]1COCCO1 ZINC000450348318 202138015 /nfs/dbraw/zinc/13/80/15/202138015.db2.gz LEOFIJNLQAAIBN-VIFPVBQESA-N 1 2 217.265 -0.103 20 0 BBADLO CC[N@@H+](CC(=O)OC)C[C@H]1COCCO1 ZINC000450348318 202138012 /nfs/dbraw/zinc/13/80/12/202138012.db2.gz LEOFIJNLQAAIBN-VIFPVBQESA-N 1 2 217.265 -0.103 20 0 BBADLO CNc1nc(NC(CO)CO)[nH+]c2ccccc21 ZINC000450355767 202141572 /nfs/dbraw/zinc/14/15/72/202141572.db2.gz SDXQSMDAULLXHO-UHFFFAOYSA-N 1 2 248.286 -0.720 20 0 BBADLO CNc1nc(NC[C@@H](O)CO)[nH+]c2ccccc21 ZINC000450386636 202148154 /nfs/dbraw/zinc/14/81/54/202148154.db2.gz DZLGXBWJMLBEIO-MRVPVSSYSA-N 1 2 248.286 -0.720 20 0 BBADLO CNc1nc(NC[C@H](O)CO)[nH+]c2ccccc21 ZINC000450386637 202149571 /nfs/dbraw/zinc/14/95/71/202149571.db2.gz DZLGXBWJMLBEIO-QMMMGPOBSA-N 1 2 248.286 -0.720 20 0 BBADLO COCCN1CC[N@@H+](CC[C@H](C)O)CC1=O ZINC000450648702 202225654 /nfs/dbraw/zinc/22/56/54/202225654.db2.gz KALMEWIBEZHORA-JTQLQIEISA-N 1 2 230.308 -0.452 20 0 BBADLO COCCN1CC[N@H+](CC[C@H](C)O)CC1=O ZINC000450648702 202225652 /nfs/dbraw/zinc/22/56/52/202225652.db2.gz KALMEWIBEZHORA-JTQLQIEISA-N 1 2 230.308 -0.452 20 0 BBADLO COCCN1CC[N@@H+](CC[C@@H](C)O)CC1=O ZINC000450648703 202225940 /nfs/dbraw/zinc/22/59/40/202225940.db2.gz KALMEWIBEZHORA-SNVBAGLBSA-N 1 2 230.308 -0.452 20 0 BBADLO COCCN1CC[N@H+](CC[C@@H](C)O)CC1=O ZINC000450648703 202225937 /nfs/dbraw/zinc/22/59/37/202225937.db2.gz KALMEWIBEZHORA-SNVBAGLBSA-N 1 2 230.308 -0.452 20 0 BBADLO CCC[C@@H](O)C[N@H+]1CCN(CCOC)C(=O)C1 ZINC000450653225 202229437 /nfs/dbraw/zinc/22/94/37/202229437.db2.gz PTSXVNAFBRFUHX-LLVKDONJSA-N 1 2 244.335 -0.062 20 0 BBADLO CCC[C@@H](O)C[N@@H+]1CCN(CCOC)C(=O)C1 ZINC000450653225 202229434 /nfs/dbraw/zinc/22/94/34/202229434.db2.gz PTSXVNAFBRFUHX-LLVKDONJSA-N 1 2 244.335 -0.062 20 0 BBADLO CCC[C@H](O)C[N@H+]1CCN(CCOC)C(=O)C1 ZINC000450653229 202228678 /nfs/dbraw/zinc/22/86/78/202228678.db2.gz PTSXVNAFBRFUHX-NSHDSACASA-N 1 2 244.335 -0.062 20 0 BBADLO 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CCNC(=O)NC(=O)C[N@@H+](CC)C1COC1 ZINC000451285862 202393929 /nfs/dbraw/zinc/39/39/29/202393929.db2.gz NYPOZROQBBSCOY-UHFFFAOYSA-N 1 2 229.280 -0.447 20 0 BBADLO CCNC(=O)NC(=O)C[N@H+](CC)C1COC1 ZINC000451285862 202393927 /nfs/dbraw/zinc/39/39/27/202393927.db2.gz NYPOZROQBBSCOY-UHFFFAOYSA-N 1 2 229.280 -0.447 20 0 BBADLO CCOCCNC(=O)C[N@@H+](CC)C1COC1 ZINC000451286296 202395248 /nfs/dbraw/zinc/39/52/48/202395248.db2.gz OVCKTZZDZQDVFW-UHFFFAOYSA-N 1 2 230.308 -0.140 20 0 BBADLO CCOCCNC(=O)C[N@H+](CC)C1COC1 ZINC000451286296 202395244 /nfs/dbraw/zinc/39/52/44/202395244.db2.gz OVCKTZZDZQDVFW-UHFFFAOYSA-N 1 2 230.308 -0.140 20 0 BBADLO CC[N@@H+](CCNS(=O)(=O)CC)C1COC1 ZINC000451289404 202396554 /nfs/dbraw/zinc/39/65/54/202396554.db2.gz VXLULEDBVVUDPO-UHFFFAOYSA-N 1 2 236.337 -0.354 20 0 BBADLO CC[N@H+](CCNS(=O)(=O)CC)C1COC1 ZINC000451289404 202396552 /nfs/dbraw/zinc/39/65/52/202396552.db2.gz VXLULEDBVVUDPO-UHFFFAOYSA-N 1 2 236.337 -0.354 20 0 BBADLO CC[N@@H+](CC(=O)NCCC(=O)OC)C1COC1 ZINC000451289725 202397458 /nfs/dbraw/zinc/39/74/58/202397458.db2.gz WJCMGMKUUGESNV-UHFFFAOYSA-N 1 2 244.291 -0.614 20 0 BBADLO CC[N@H+](CC(=O)NCCC(=O)OC)C1COC1 ZINC000451289725 202397455 /nfs/dbraw/zinc/39/74/55/202397455.db2.gz WJCMGMKUUGESNV-UHFFFAOYSA-N 1 2 244.291 -0.614 20 0 BBADLO CC[N@@H+](CC(=O)NC(=O)NC)C1COC1 ZINC000451289779 202397571 /nfs/dbraw/zinc/39/75/71/202397571.db2.gz WQSNPYWJSKQHOZ-UHFFFAOYSA-N 1 2 215.253 -0.837 20 0 BBADLO CC[N@H+](CC(=O)NC(=O)NC)C1COC1 ZINC000451289779 202397567 /nfs/dbraw/zinc/39/75/67/202397567.db2.gz WQSNPYWJSKQHOZ-UHFFFAOYSA-N 1 2 215.253 -0.837 20 0 BBADLO CC[N@@H+](CC(=O)NCCCOC)C1COC1 ZINC000451290294 202398267 /nfs/dbraw/zinc/39/82/67/202398267.db2.gz XTNXXIRLIZBNBF-UHFFFAOYSA-N 1 2 230.308 -0.140 20 0 BBADLO CC[N@H+](CC(=O)NCCCOC)C1COC1 ZINC000451290294 202398263 /nfs/dbraw/zinc/39/82/63/202398263.db2.gz XTNXXIRLIZBNBF-UHFFFAOYSA-N 1 2 230.308 -0.140 20 0 BBADLO CC[N@@H+](CCS(=O)(=O)N(C)C)C1COC1 ZINC000451290804 202398514 /nfs/dbraw/zinc/39/85/14/202398514.db2.gz YAIZXMSGEIARAM-UHFFFAOYSA-N 1 2 236.337 -0.402 20 0 BBADLO CC[N@H+](CCS(=O)(=O)N(C)C)C1COC1 ZINC000451290804 202398513 /nfs/dbraw/zinc/39/85/13/202398513.db2.gz YAIZXMSGEIARAM-UHFFFAOYSA-N 1 2 236.337 -0.402 20 0 BBADLO COC[C@@]1(C(=O)OC)CC[N@@H+](CC(=O)OC)C1 ZINC000451329661 388263528 /nfs/dbraw/zinc/26/35/28/388263528.db2.gz OFEYGFIUVLCXCO-LLVKDONJSA-N 1 2 245.275 -0.329 20 0 BBADLO COC[C@@]1(C(=O)OC)CC[N@H+](CC(=O)OC)C1 ZINC000451329661 388263525 /nfs/dbraw/zinc/26/35/25/388263525.db2.gz OFEYGFIUVLCXCO-LLVKDONJSA-N 1 2 245.275 -0.329 20 0 BBADLO COC[C@]1(C(=O)OC)CC[N@@H+](CC(=O)OC)C1 ZINC000451329662 388263350 /nfs/dbraw/zinc/26/33/50/388263350.db2.gz OFEYGFIUVLCXCO-NSHDSACASA-N 1 2 245.275 -0.329 20 0 BBADLO COC[C@]1(C(=O)OC)CC[N@H+](CC(=O)OC)C1 ZINC000451329662 388263349 /nfs/dbraw/zinc/26/33/49/388263349.db2.gz OFEYGFIUVLCXCO-NSHDSACASA-N 1 2 245.275 -0.329 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@@H](O)COC(C)(C)C)CC(=O)N1 ZINC000451636373 388286526 /nfs/dbraw/zinc/28/65/26/388286526.db2.gz BLAXAOVLJAAOEF-NXEZZACHSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@@H]1C[N@H+](C[C@@H](O)COC(C)(C)C)CC(=O)N1 ZINC000451636373 388286524 /nfs/dbraw/zinc/28/65/24/388286524.db2.gz BLAXAOVLJAAOEF-NXEZZACHSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@H]1C[N@@H+](C[C@H](O)COC(C)(C)C)CC(=O)N1 ZINC000451636374 386200862 /nfs/dbraw/zinc/20/08/62/386200862.db2.gz BLAXAOVLJAAOEF-UWVGGRQHSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@H]1C[N@H+](C[C@H](O)COC(C)(C)C)CC(=O)N1 ZINC000451636374 386200856 /nfs/dbraw/zinc/20/08/56/386200856.db2.gz BLAXAOVLJAAOEF-UWVGGRQHSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@H]1C[N@@H+](C[C@@H](O)COC(C)(C)C)CC(=O)N1 ZINC000451636375 386200609 /nfs/dbraw/zinc/20/06/09/386200609.db2.gz BLAXAOVLJAAOEF-VHSXEESVSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@H]1C[N@H+](C[C@@H](O)COC(C)(C)C)CC(=O)N1 ZINC000451636375 386200607 /nfs/dbraw/zinc/20/06/07/386200607.db2.gz BLAXAOVLJAAOEF-VHSXEESVSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@H](O)COC(C)(C)C)CC(=O)N1 ZINC000451636376 386200252 /nfs/dbraw/zinc/20/02/52/386200252.db2.gz BLAXAOVLJAAOEF-ZJUUUORDSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@@H]1C[N@H+](C[C@H](O)COC(C)(C)C)CC(=O)N1 ZINC000451636376 386200246 /nfs/dbraw/zinc/20/02/46/386200246.db2.gz BLAXAOVLJAAOEF-ZJUUUORDSA-N 1 2 244.335 -0.017 20 0 BBADLO CC(C)NC(=O)CC[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000451637810 388286107 /nfs/dbraw/zinc/28/61/07/388286107.db2.gz FMNITRXEIJKNLO-SECBINFHSA-N 1 2 227.308 -0.279 20 0 BBADLO CC(C)NC(=O)CC[N@H+]1CC(=O)N[C@H](C)C1 ZINC000451637810 388286105 /nfs/dbraw/zinc/28/61/05/388286105.db2.gz FMNITRXEIJKNLO-SECBINFHSA-N 1 2 227.308 -0.279 20 0 BBADLO CC(C)NC(=O)CC[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000451637811 388286358 /nfs/dbraw/zinc/28/63/58/388286358.db2.gz FMNITRXEIJKNLO-VIFPVBQESA-N 1 2 227.308 -0.279 20 0 BBADLO CC(C)NC(=O)CC[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000451637811 388286356 /nfs/dbraw/zinc/28/63/56/388286356.db2.gz FMNITRXEIJKNLO-VIFPVBQESA-N 1 2 227.308 -0.279 20 0 BBADLO CC(C)COC[C@H](O)C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000451639685 388287344 /nfs/dbraw/zinc/28/73/44/388287344.db2.gz MSLJWJHXDGUNTO-GHMZBOCLSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)COC[C@H](O)C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000451639685 388287343 /nfs/dbraw/zinc/28/73/43/388287343.db2.gz MSLJWJHXDGUNTO-GHMZBOCLSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)COC[C@@H](O)C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000451639686 388287271 /nfs/dbraw/zinc/28/72/71/388287271.db2.gz MSLJWJHXDGUNTO-MNOVXSKESA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)COC[C@@H](O)C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000451639686 388287270 /nfs/dbraw/zinc/28/72/70/388287270.db2.gz MSLJWJHXDGUNTO-MNOVXSKESA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)COC[C@@H](O)C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000451639687 388286863 /nfs/dbraw/zinc/28/68/63/388286863.db2.gz MSLJWJHXDGUNTO-QWRGUYRKSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)COC[C@@H](O)C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000451639687 388286861 /nfs/dbraw/zinc/28/68/61/388286861.db2.gz MSLJWJHXDGUNTO-QWRGUYRKSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)COC[C@H](O)C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000451639688 388287301 /nfs/dbraw/zinc/28/73/01/388287301.db2.gz MSLJWJHXDGUNTO-WDEREUQCSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)COC[C@H](O)C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000451639688 388287299 /nfs/dbraw/zinc/28/72/99/388287299.db2.gz MSLJWJHXDGUNTO-WDEREUQCSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)OCC[C@@H](O)C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000451640380 388287232 /nfs/dbraw/zinc/28/72/32/388287232.db2.gz KWFARLWKAKCWHI-GHMZBOCLSA-N 1 2 244.335 -0.017 20 0 BBADLO CC(C)OCC[C@@H](O)C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000451640380 388287231 /nfs/dbraw/zinc/28/72/31/388287231.db2.gz KWFARLWKAKCWHI-GHMZBOCLSA-N 1 2 244.335 -0.017 20 0 BBADLO CC(C)OCC[C@H](O)C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000451640381 388286756 /nfs/dbraw/zinc/28/67/56/388286756.db2.gz KWFARLWKAKCWHI-MNOVXSKESA-N 1 2 244.335 -0.017 20 0 BBADLO CC(C)OCC[C@H](O)C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000451640381 388286754 /nfs/dbraw/zinc/28/67/54/388286754.db2.gz KWFARLWKAKCWHI-MNOVXSKESA-N 1 2 244.335 -0.017 20 0 BBADLO CC(C)OCC[C@H](O)C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000451640382 388287349 /nfs/dbraw/zinc/28/73/49/388287349.db2.gz KWFARLWKAKCWHI-QWRGUYRKSA-N 1 2 244.335 -0.017 20 0 BBADLO CC(C)OCC[C@H](O)C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000451640382 388287347 /nfs/dbraw/zinc/28/73/47/388287347.db2.gz KWFARLWKAKCWHI-QWRGUYRKSA-N 1 2 244.335 -0.017 20 0 BBADLO CC(C)OCC[C@@H](O)C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000451640383 388286928 /nfs/dbraw/zinc/28/69/28/388286928.db2.gz KWFARLWKAKCWHI-WDEREUQCSA-N 1 2 244.335 -0.017 20 0 BBADLO CC(C)OCC[C@@H](O)C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000451640383 388286926 /nfs/dbraw/zinc/28/69/26/388286926.db2.gz KWFARLWKAKCWHI-WDEREUQCSA-N 1 2 244.335 -0.017 20 0 BBADLO CCOC(=O)[C@](C)(O)C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000451641209 388287078 /nfs/dbraw/zinc/28/70/78/388287078.db2.gz NELBOAZFVCBQTQ-GZMMTYOYSA-N 1 2 244.291 -0.879 20 0 BBADLO CCOC(=O)[C@](C)(O)C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000451641209 388287076 /nfs/dbraw/zinc/28/70/76/388287076.db2.gz NELBOAZFVCBQTQ-GZMMTYOYSA-N 1 2 244.291 -0.879 20 0 BBADLO CCOC(=O)[C@@](C)(O)C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000451641211 388287328 /nfs/dbraw/zinc/28/73/28/388287328.db2.gz NELBOAZFVCBQTQ-KCJUWKMLSA-N 1 2 244.291 -0.879 20 0 BBADLO CCOC(=O)[C@@](C)(O)C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000451641211 388287326 /nfs/dbraw/zinc/28/73/26/388287326.db2.gz NELBOAZFVCBQTQ-KCJUWKMLSA-N 1 2 244.291 -0.879 20 0 BBADLO CCOC(=O)[C@@](C)(O)C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000451641275 388287085 /nfs/dbraw/zinc/28/70/85/388287085.db2.gz NELBOAZFVCBQTQ-KWQFWETISA-N 1 2 244.291 -0.879 20 0 BBADLO CCOC(=O)[C@@](C)(O)C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000451641275 388287083 /nfs/dbraw/zinc/28/70/83/388287083.db2.gz NELBOAZFVCBQTQ-KWQFWETISA-N 1 2 244.291 -0.879 20 0 BBADLO CCOC(=O)[C@](C)(O)C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000451641278 388287235 /nfs/dbraw/zinc/28/72/35/388287235.db2.gz NELBOAZFVCBQTQ-LDYMZIIASA-N 1 2 244.291 -0.879 20 0 BBADLO CCOC(=O)[C@](C)(O)C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000451641278 388287234 /nfs/dbraw/zinc/28/72/34/388287234.db2.gz NELBOAZFVCBQTQ-LDYMZIIASA-N 1 2 244.291 -0.879 20 0 BBADLO CCCCOC[C@H](O)C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000451644871 388286898 /nfs/dbraw/zinc/28/68/98/388286898.db2.gz ZSOMMNRWVXAWIO-GHMZBOCLSA-N 1 2 244.335 -0.016 20 0 BBADLO CCCCOC[C@H](O)C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000451644871 388286896 /nfs/dbraw/zinc/28/68/96/388286896.db2.gz ZSOMMNRWVXAWIO-GHMZBOCLSA-N 1 2 244.335 -0.016 20 0 BBADLO CCCCOC[C@@H](O)C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000451644872 388287267 /nfs/dbraw/zinc/28/72/67/388287267.db2.gz ZSOMMNRWVXAWIO-MNOVXSKESA-N 1 2 244.335 -0.016 20 0 BBADLO CCCCOC[C@@H](O)C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000451644872 388287266 /nfs/dbraw/zinc/28/72/66/388287266.db2.gz ZSOMMNRWVXAWIO-MNOVXSKESA-N 1 2 244.335 -0.016 20 0 BBADLO CCCCOC[C@@H](O)C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000451644874 388286797 /nfs/dbraw/zinc/28/67/97/388286797.db2.gz ZSOMMNRWVXAWIO-QWRGUYRKSA-N 1 2 244.335 -0.016 20 0 BBADLO CCCCOC[C@@H](O)C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000451644874 388286795 /nfs/dbraw/zinc/28/67/95/388286795.db2.gz ZSOMMNRWVXAWIO-QWRGUYRKSA-N 1 2 244.335 -0.016 20 0 BBADLO CCCCOC[C@H](O)C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000451644875 388287127 /nfs/dbraw/zinc/28/71/27/388287127.db2.gz ZSOMMNRWVXAWIO-WDEREUQCSA-N 1 2 244.335 -0.016 20 0 BBADLO CCCCOC[C@H](O)C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000451644875 388287125 /nfs/dbraw/zinc/28/71/25/388287125.db2.gz ZSOMMNRWVXAWIO-WDEREUQCSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@@H](C(=O)OC)[N@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000451747807 388293587 /nfs/dbraw/zinc/29/35/87/388293587.db2.gz HDEPNNBUFXKJIX-DJLDLDEBSA-N 1 2 217.265 -0.371 20 0 BBADLO CC[C@@H](C(=O)OC)[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000451747807 388293586 /nfs/dbraw/zinc/29/35/86/388293586.db2.gz HDEPNNBUFXKJIX-DJLDLDEBSA-N 1 2 217.265 -0.371 20 0 BBADLO CC[C@H](C(=O)OC)[N@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000451747808 388293619 /nfs/dbraw/zinc/29/36/19/388293619.db2.gz HDEPNNBUFXKJIX-IWSPIJDZSA-N 1 2 217.265 -0.371 20 0 BBADLO CC[C@H](C(=O)OC)[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000451747808 388293618 /nfs/dbraw/zinc/29/36/18/388293618.db2.gz HDEPNNBUFXKJIX-IWSPIJDZSA-N 1 2 217.265 -0.371 20 0 BBADLO C[C@@H]1CN(S(C)(=O)=O)C[C@H](C)[N@@H+]1CCO ZINC000451888401 388302683 /nfs/dbraw/zinc/30/26/83/388302683.db2.gz IZZHLDHKMJNZRU-DTORHVGOSA-N 1 2 236.337 -0.667 20 0 BBADLO C[C@@H]1CN(S(C)(=O)=O)C[C@H](C)[N@H+]1CCO ZINC000451888401 388302681 /nfs/dbraw/zinc/30/26/81/388302681.db2.gz IZZHLDHKMJNZRU-DTORHVGOSA-N 1 2 236.337 -0.667 20 0 BBADLO CCS(=O)(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000452098188 387735435 /nfs/dbraw/zinc/73/54/35/387735435.db2.gz ADVMVJCQUKIPDF-SECBINFHSA-N 1 2 236.337 -0.666 20 0 BBADLO CCS(=O)(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000452098188 387735429 /nfs/dbraw/zinc/73/54/29/387735429.db2.gz ADVMVJCQUKIPDF-SECBINFHSA-N 1 2 236.337 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/nfs/dbraw/zinc/57/67/82/533576782.db2.gz QSTIGUBOKHSSDM-KXUCPTDWSA-N 1 2 230.308 -0.407 20 0 BBADLO C[C@@H](O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000469011515 533575886 /nfs/dbraw/zinc/57/58/86/533575886.db2.gz QSTIGUBOKHSSDM-LPEHRKFASA-N 1 2 230.308 -0.407 20 0 BBADLO C[C@@H](O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000469011519 533576797 /nfs/dbraw/zinc/57/67/97/533576797.db2.gz QSTIGUBOKHSSDM-OPRDCNLKSA-N 1 2 230.308 -0.407 20 0 BBADLO CC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000478865915 526653647 /nfs/dbraw/zinc/65/36/47/526653647.db2.gz KNXDBILVRPBOQA-GFCCVEGCSA-N 1 2 242.319 -0.044 20 0 BBADLO CC(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000478865917 526669068 /nfs/dbraw/zinc/66/90/68/526669068.db2.gz KNXDBILVRPBOQA-LBPRGKRZSA-N 1 2 242.319 -0.044 20 0 BBADLO COC[C@@H](O)C[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000484730040 225250790 /nfs/dbraw/zinc/25/07/90/225250790.db2.gz VBUVACJGTQEPGV-BBBLOLIVSA-N 1 2 235.349 -0.165 20 0 BBADLO COC[C@@H](O)C[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 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/nfs/dbraw/zinc/00/67/28/488006728.db2.gz UTBZBBCSSIDBCF-UHFFFAOYSA-N 1 2 238.295 -0.206 20 0 BBADLO CNC(=O)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000488400249 488006722 /nfs/dbraw/zinc/00/67/22/488006722.db2.gz UTBZBBCSSIDBCF-UHFFFAOYSA-N 1 2 238.295 -0.206 20 0 BBADLO Cc1nc(N[C@@H](C)CC(N)=O)nc(N(C)C)[nH+]1 ZINC000488416374 411769464 /nfs/dbraw/zinc/76/94/64/411769464.db2.gz INIURSHKRBPFII-LURJTMIESA-N 1 2 238.295 -0.078 20 0 BBADLO Cc1nc(N(C)C)nc(N[C@@H](C)CC(N)=O)[nH+]1 ZINC000488416374 411769461 /nfs/dbraw/zinc/76/94/61/411769461.db2.gz INIURSHKRBPFII-LURJTMIESA-N 1 2 238.295 -0.078 20 0 BBADLO Cc1nc(N[C@H](C)CC(N)=O)nc(N(C)C)[nH+]1 ZINC000488416389 411768136 /nfs/dbraw/zinc/76/81/36/411768136.db2.gz INIURSHKRBPFII-ZCFIWIBFSA-N 1 2 238.295 -0.078 20 0 BBADLO Cc1nc(N(C)C)nc(N[C@H](C)CC(N)=O)[nH+]1 ZINC000488416389 411768133 /nfs/dbraw/zinc/76/81/33/411768133.db2.gz INIURSHKRBPFII-ZCFIWIBFSA-N 1 2 238.295 -0.078 20 0 BBADLO Cc1nc(NCc2nncn2C)nc(N(C)C)[nH+]1 ZINC000488436809 411769684 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ZINC000488744564 386464772 /nfs/dbraw/zinc/46/47/72/386464772.db2.gz KFSJNQRNMVNSBF-RNFRBKRXSA-N 1 2 212.253 -0.287 20 0 BBADLO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000488744564 386464770 /nfs/dbraw/zinc/46/47/70/386464770.db2.gz KFSJNQRNMVNSBF-RNFRBKRXSA-N 1 2 212.253 -0.287 20 0 BBADLO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000488744566 386463361 /nfs/dbraw/zinc/46/33/61/386463361.db2.gz KFSJNQRNMVNSBF-RQJHMYQMSA-N 1 2 212.253 -0.287 20 0 BBADLO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000488744566 386463354 /nfs/dbraw/zinc/46/33/54/386463354.db2.gz KFSJNQRNMVNSBF-RQJHMYQMSA-N 1 2 212.253 -0.287 20 0 BBADLO CNC(=O)[C@H](C)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000488762002 412285715 /nfs/dbraw/zinc/28/57/15/412285715.db2.gz OLWZAHUYLVBLCE-LURJTMIESA-N 1 2 238.295 -0.208 20 0 BBADLO CNC(=O)[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000488762002 412285713 /nfs/dbraw/zinc/28/57/13/412285713.db2.gz OLWZAHUYLVBLCE-LURJTMIESA-N 1 2 238.295 -0.208 20 0 BBADLO CC[C@H](O)CNC(=O)NCc1[nH+]ccn1C ZINC000488795991 388195698 /nfs/dbraw/zinc/19/56/98/388195698.db2.gz GMWKGOXBRAXNMO-QMMMGPOBSA-N 1 2 226.280 -0.010 20 0 BBADLO CC[C@H](O)CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000488804139 388196212 /nfs/dbraw/zinc/19/62/12/388196212.db2.gz JNSLSHXGXGONOE-UWVGGRQHSA-N 1 2 245.323 -0.613 20 0 BBADLO CC[C@H](O)CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000488804139 388196209 /nfs/dbraw/zinc/19/62/09/388196209.db2.gz JNSLSHXGXGONOE-UWVGGRQHSA-N 1 2 245.323 -0.613 20 0 BBADLO CC[C@H](O)CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000488804140 388196179 /nfs/dbraw/zinc/19/61/79/388196179.db2.gz JNSLSHXGXGONOE-VHSXEESVSA-N 1 2 245.323 -0.613 20 0 BBADLO CC[C@H](O)CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000488804140 388196176 /nfs/dbraw/zinc/19/61/76/388196176.db2.gz JNSLSHXGXGONOE-VHSXEESVSA-N 1 2 245.323 -0.613 20 0 BBADLO CCn1ncnc1C[N@@H+](C[C@@H](C)O)[C@H](C)CO ZINC000488993636 388200644 /nfs/dbraw/zinc/20/06/44/388200644.db2.gz CPOAZNRHFJUBSO-NXEZZACHSA-N 1 2 242.323 -0.138 20 0 BBADLO CCn1ncnc1C[N@H+](C[C@@H](C)O)[C@H](C)CO ZINC000488993636 388200642 /nfs/dbraw/zinc/20/06/42/388200642.db2.gz CPOAZNRHFJUBSO-NXEZZACHSA-N 1 2 242.323 -0.138 20 0 BBADLO CCn1ncnc1C[N@@H+](C[C@H](C)O)[C@@H](C)CO ZINC000488993637 388200594 /nfs/dbraw/zinc/20/05/94/388200594.db2.gz CPOAZNRHFJUBSO-UWVGGRQHSA-N 1 2 242.323 -0.138 20 0 BBADLO CCn1ncnc1C[N@H+](C[C@H](C)O)[C@@H](C)CO ZINC000488993637 388200592 /nfs/dbraw/zinc/20/05/92/388200592.db2.gz CPOAZNRHFJUBSO-UWVGGRQHSA-N 1 2 242.323 -0.138 20 0 BBADLO CCn1ncnc1C[N@@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000488993638 388201087 /nfs/dbraw/zinc/20/10/87/388201087.db2.gz CPOAZNRHFJUBSO-VHSXEESVSA-N 1 2 242.323 -0.138 20 0 BBADLO CCn1ncnc1C[N@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000488993638 388201086 /nfs/dbraw/zinc/20/10/86/388201086.db2.gz CPOAZNRHFJUBSO-VHSXEESVSA-N 1 2 242.323 -0.138 20 0 BBADLO CCn1ncnc1C[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000488993639 388200528 /nfs/dbraw/zinc/20/05/28/388200528.db2.gz CPOAZNRHFJUBSO-ZJUUUORDSA-N 1 2 242.323 -0.138 20 0 BBADLO CCn1ncnc1C[N@H+](C[C@H](C)O)[C@H](C)CO ZINC000488993639 388200525 /nfs/dbraw/zinc/20/05/25/388200525.db2.gz CPOAZNRHFJUBSO-ZJUUUORDSA-N 1 2 242.323 -0.138 20 0 BBADLO CCn1ncnc1C[N@H+]1CCc2nn[nH]c2C1 ZINC000489011859 388201852 /nfs/dbraw/zinc/20/18/52/388201852.db2.gz LEFMLYKUBYMGFK-UHFFFAOYSA-N 1 2 233.279 -0.026 20 0 BBADLO CCn1ncnc1C[N@@H+]1CCc2nn[nH]c2C1 ZINC000489011859 388201849 /nfs/dbraw/zinc/20/18/49/388201849.db2.gz LEFMLYKUBYMGFK-UHFFFAOYSA-N 1 2 233.279 -0.026 20 0 BBADLO Cc1nc(NCCOCCO)nc(N(C)C)[nH+]1 ZINC000489494154 411765976 /nfs/dbraw/zinc/76/59/76/411765976.db2.gz GLNJIZPENMRBBJ-UHFFFAOYSA-N 1 2 241.295 -0.333 20 0 BBADLO Cc1nc(N(C)C)nc(NCCOCCO)[nH+]1 ZINC000489494154 411765972 /nfs/dbraw/zinc/76/59/72/411765972.db2.gz GLNJIZPENMRBBJ-UHFFFAOYSA-N 1 2 241.295 -0.333 20 0 BBADLO Cc1nc(N(C)C)nc(N(C)CCO)[nH+]1 ZINC000489506055 388219683 /nfs/dbraw/zinc/21/96/83/388219683.db2.gz GGBGVKZPQMQUIL-UHFFFAOYSA-N 1 2 211.269 -0.325 20 0 BBADLO Cc1nc(N(C)CCO)nc(N(C)C)[nH+]1 ZINC000489506055 388219680 /nfs/dbraw/zinc/21/96/80/388219680.db2.gz GGBGVKZPQMQUIL-UHFFFAOYSA-N 1 2 211.269 -0.325 20 0 BBADLO O=C(NCCn1cc[nH+]c1)NC[C@@H](O)C(F)F ZINC000489897773 388227820 /nfs/dbraw/zinc/22/78/20/388227820.db2.gz IMOJUGKUAGNKHX-SSDOTTSWSA-N 1 2 248.233 -0.192 20 0 BBADLO O=C(NCCn1cc[nH+]c1)NC[C@H](O)C(F)F ZINC000489897775 388228201 /nfs/dbraw/zinc/22/82/01/388228201.db2.gz IMOJUGKUAGNKHX-ZETCQYMHSA-N 1 2 248.233 -0.192 20 0 BBADLO Cc1nc(N(C)C)nc(N(CCO)CCO)[nH+]1 ZINC000489976767 388229731 /nfs/dbraw/zinc/22/97/31/388229731.db2.gz ZKDJVRNMGYKJLG-UHFFFAOYSA-N 1 2 241.295 -0.963 20 0 BBADLO Cc1nc(N(CCO)CCO)nc(N(C)C)[nH+]1 ZINC000489976767 388229729 /nfs/dbraw/zinc/22/97/29/388229729.db2.gz ZKDJVRNMGYKJLG-UHFFFAOYSA-N 1 2 241.295 -0.963 20 0 BBADLO COC(=O)C[NH2+]C1(CC(=O)OC)CCOCC1 ZINC000489986167 388230108 /nfs/dbraw/zinc/23/01/08/388230108.db2.gz AYOZKAQXUHXDOW-UHFFFAOYSA-N 1 2 245.275 -0.139 20 0 BBADLO Cc1nc(NC(C)(CO)CO)nc(N(C)C)[nH+]1 ZINC000490086054 388234277 /nfs/dbraw/zinc/23/42/77/388234277.db2.gz CUQNMPSHGQWGOU-UHFFFAOYSA-N 1 2 241.295 -0.599 20 0 BBADLO Cc1nc(N(C)C)nc(NC(C)(CO)CO)[nH+]1 ZINC000490086054 388234273 /nfs/dbraw/zinc/23/42/73/388234273.db2.gz CUQNMPSHGQWGOU-UHFFFAOYSA-N 1 2 241.295 -0.599 20 0 BBADLO C=CC(=O)NCCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000490602207 388242083 /nfs/dbraw/zinc/24/20/83/388242083.db2.gz VOTASISVKYJSAO-UHFFFAOYSA-N 1 2 248.286 -0.041 20 0 BBADLO C=CC(=O)NCCC(=O)NCCn1cc[nH+]c1 ZINC000490646471 388245358 /nfs/dbraw/zinc/24/53/58/388245358.db2.gz UCTXIBOOAJXTLY-UHFFFAOYSA-N 1 2 236.275 -0.308 20 0 BBADLO COC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000491098414 388269789 /nfs/dbraw/zinc/26/97/89/388269789.db2.gz MQKMUFMLOVIVLL-UHFFFAOYSA-N 1 2 239.279 -0.338 20 0 BBADLO CC[C@H](O)CNC(=O)NCc1c[nH+]cn1C ZINC000491170015 388068559 /nfs/dbraw/zinc/06/85/59/388068559.db2.gz DQBBQPZRYAQNEZ-VIFPVBQESA-N 1 2 226.280 -0.010 20 0 BBADLO COC(=O)NCCC(=O)NCCn1cc[nH+]c1 ZINC000491266270 398034377 /nfs/dbraw/zinc/03/43/77/398034377.db2.gz RUYSMMNHVZMUDC-UHFFFAOYSA-N 1 2 240.263 -0.255 20 0 BBADLO O=C(CCN1CCOC1=O)NCc1[nH]cc[nH+]1 ZINC000491488233 534408634 /nfs/dbraw/zinc/40/86/34/534408634.db2.gz KSNSDUVIWWUSIQ-UHFFFAOYSA-N 1 2 238.247 -0.132 20 0 BBADLO COC(=O)NCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000491488791 534025304 /nfs/dbraw/zinc/02/53/04/534025304.db2.gz QNIZXWCZLPTJNJ-UHFFFAOYSA-N 1 2 238.247 -0.378 20 0 BBADLO COC(=O)N(C)CC(=O)NCc1[nH]cc[nH+]1 ZINC000491489062 411393609 /nfs/dbraw/zinc/39/36/09/411393609.db2.gz UNOBAEJLUKFUKH-UHFFFAOYSA-N 1 2 226.236 -0.276 20 0 BBADLO COC(=O)N1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000491548171 388303342 /nfs/dbraw/zinc/30/33/42/388303342.db2.gz FSRKXVWJZGUIJL-SECBINFHSA-N 1 2 241.291 -0.399 20 0 BBADLO COC(=O)N1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000491548173 388303234 /nfs/dbraw/zinc/30/32/34/388303234.db2.gz FSRKXVWJZGUIJL-VIFPVBQESA-N 1 2 241.291 -0.399 20 0 BBADLO O=C(NCCCCO)NCC[NH+]1CCOCC1 ZINC000491763258 398065464 /nfs/dbraw/zinc/06/54/64/398065464.db2.gz SHMDVHHUJRXOGL-UHFFFAOYSA-N 1 2 245.323 -0.610 20 0 BBADLO CCn1cc[nH+]c1/C=C\C(=O)NOCCO ZINC000492000507 388331264 /nfs/dbraw/zinc/33/12/64/388331264.db2.gz DGGDVPNRHPYCIP-ARJAWSKDSA-N 1 2 225.248 -0.044 20 0 BBADLO CCn1cc[nH+]c1/C=C/C(=O)NOCCO ZINC000492000512 388331162 /nfs/dbraw/zinc/33/11/62/388331162.db2.gz DGGDVPNRHPYCIP-ONEGZZNKSA-N 1 2 225.248 -0.044 20 0 BBADLO COC(=O)N1CC([NH2+]CN2CCC(=O)CC2)C1 ZINC000492098444 388335007 /nfs/dbraw/zinc/33/50/07/388335007.db2.gz HRNHQUBFXFSYCZ-UHFFFAOYSA-N 1 2 241.291 -0.351 20 0 BBADLO Cc1n[nH]c(CCNC(=O)C=CC[NH+](C)C)n1 ZINC000492357397 388342350 /nfs/dbraw/zinc/34/23/50/388342350.db2.gz HPMAQPFCZIHKDR-PLNGDYQASA-N 1 2 237.307 -0.110 20 0 BBADLO Cc1n[nH]c(CCNC(=O)C=CC[NH+](C)C)n1 ZINC000492357398 388342284 /nfs/dbraw/zinc/34/22/84/388342284.db2.gz HPMAQPFCZIHKDR-SNAWJCMRSA-N 1 2 237.307 -0.110 20 0 BBADLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@H](C)C(N)=O ZINC000492413589 388343655 /nfs/dbraw/zinc/34/36/55/388343655.db2.gz XWUCQLPNQVQUMF-LGYSABEFSA-N 1 2 236.275 -0.094 20 0 BBADLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@H](C)C(N)=O ZINC000492413591 388343705 /nfs/dbraw/zinc/34/37/05/388343705.db2.gz XWUCQLPNQVQUMF-ZJELKQJVSA-N 1 2 236.275 -0.094 20 0 BBADLO CCn1cc[nH+]c1/C=C\C(=O)NCC(=O)NC ZINC000492450828 529558701 /nfs/dbraw/zinc/55/87/01/529558701.db2.gz TZWXMSVFVIZPKK-PLNGDYQASA-N 1 2 236.275 -0.222 20 0 BBADLO CCn1cc[nH+]c1/C=C/C(=O)NCC(=O)NC ZINC000492450829 529552164 /nfs/dbraw/zinc/55/21/64/529552164.db2.gz TZWXMSVFVIZPKK-SNAWJCMRSA-N 1 2 236.275 -0.222 20 0 BBADLO CCn1cc[nH+]c1/C=C/C(=O)N[C@H]1CNC(=O)C1 ZINC000492555065 385398134 /nfs/dbraw/zinc/39/81/34/385398134.db2.gz VKESTTJISQZBEV-CDAZIORVSA-N 1 2 248.286 -0.079 20 0 BBADLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@H]1CNC(=O)C1 ZINC000492555066 385397854 /nfs/dbraw/zinc/39/78/54/385397854.db2.gz VKESTTJISQZBEV-NWALNABHSA-N 1 2 248.286 -0.079 20 0 BBADLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@H]1CNC(=O)C1 ZINC000492555067 385398029 /nfs/dbraw/zinc/39/80/29/385398029.db2.gz VKESTTJISQZBEV-TYRPZCRBSA-N 1 2 248.286 -0.079 20 0 BBADLO CCn1cc[nH+]c1/C=C\C(=O)N[C@H]1CNC(=O)C1 ZINC000492555068 385398263 /nfs/dbraw/zinc/39/82/63/385398263.db2.gz VKESTTJISQZBEV-ZBJFTSOASA-N 1 2 248.286 -0.079 20 0 BBADLO CCn1cc[nH+]c1/C=C\C(=O)N[C@H](C)C(N)=O ZINC000492636962 529560798 /nfs/dbraw/zinc/56/07/98/529560798.db2.gz XWUCQLPNQVQUMF-PULIVWKDSA-N 1 2 236.275 -0.094 20 0 BBADLO CCn1cc[nH+]c1/C=C/C(=O)N[C@H](C)C(N)=O ZINC000492636963 529556361 /nfs/dbraw/zinc/55/63/61/529556361.db2.gz XWUCQLPNQVQUMF-WTSVBCDHSA-N 1 2 236.275 -0.094 20 0 BBADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H]1CO ZINC000492759560 385427722 /nfs/dbraw/zinc/42/77/22/385427722.db2.gz CHGHRQXBJZNVCA-IPCKFYDCSA-N 1 2 207.233 -0.080 20 0 BBADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H]1CO ZINC000492759562 385426871 /nfs/dbraw/zinc/42/68/71/385426871.db2.gz CHGHRQXBJZNVCA-WSGBHCQCSA-N 1 2 207.233 -0.080 20 0 BBADLO CN(C)C(=O)CN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492762570 226048316 /nfs/dbraw/zinc/04/83/16/226048316.db2.gz HVSLYUKZWUYPDC-PLNGDYQASA-N 1 2 236.275 -0.031 20 0 BBADLO CN(C)C(=O)CN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492762571 226047341 /nfs/dbraw/zinc/04/73/41/226047341.db2.gz HVSLYUKZWUYPDC-SNAWJCMRSA-N 1 2 236.275 -0.031 20 0 BBADLO CN1C[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)CC1=O ZINC000492763246 529827873 /nfs/dbraw/zinc/82/78/73/529827873.db2.gz IYOWWEDFKCVCJJ-PKRMOACSSA-N 1 2 234.259 -0.230 20 0 BBADLO CN1C[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)CC1=O ZINC000492763249 529819416 /nfs/dbraw/zinc/81/94/16/529819416.db2.gz IYOWWEDFKCVCJJ-XADBCAIWSA-N 1 2 234.259 -0.230 20 0 BBADLO O=C(C=Cc1c[nH]c[nH+]1)NCCn1ncnn1 ZINC000492763924 226048851 /nfs/dbraw/zinc/04/88/51/226048851.db2.gz JWBKVYFMKUBMCF-OWOJBTEDSA-N 1 2 233.235 -0.774 20 0 BBADLO O=C(C=Cc1c[nH]c[nH+]1)NCCn1ncnn1 ZINC000492763925 226049527 /nfs/dbraw/zinc/04/95/27/226049527.db2.gz JWBKVYFMKUBMCF-UPHRSURJSA-N 1 2 233.235 -0.774 20 0 BBADLO CCN(CC(N)=O)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492764464 527974094 /nfs/dbraw/zinc/97/40/94/527974094.db2.gz KLSGYEUESHEGTE-ARJAWSKDSA-N 1 2 222.248 -0.243 20 0 BBADLO CCN(CC(N)=O)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492764466 527973048 /nfs/dbraw/zinc/97/30/48/527973048.db2.gz KLSGYEUESHEGTE-ONEGZZNKSA-N 1 2 222.248 -0.243 20 0 BBADLO CC(C)(NC(=O)C=Cc1c[nH]c[nH+]1)c1nn[nH]n1 ZINC000492768177 527264164 /nfs/dbraw/zinc/26/41/64/527264164.db2.gz ORHMVBPPTVOXJV-ARJAWSKDSA-N 1 2 247.262 -0.013 20 0 BBADLO CC(C)(NC(=O)C=Cc1c[nH]c[nH+]1)c1nn[nH]n1 ZINC000492768179 527261391 /nfs/dbraw/zinc/26/13/91/527261391.db2.gz ORHMVBPPTVOXJV-ONEGZZNKSA-N 1 2 247.262 -0.013 20 0 BBADLO COC[C@H](O)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492772163 533103154 /nfs/dbraw/zinc/10/31/54/533103154.db2.gz SSJNOOOKUMLIOA-MXQLGCADSA-N 1 2 239.275 -0.064 20 0 BBADLO COC[C@@H](O)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492772168 226050747 /nfs/dbraw/zinc/05/07/47/226050747.db2.gz SSJNOOOKUMLIOA-PBKGFPTLSA-N 1 2 239.275 -0.064 20 0 BBADLO COC[C@H](O)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492772170 533103506 /nfs/dbraw/zinc/10/35/06/533103506.db2.gz SSJNOOOKUMLIOA-VMZHVLLKSA-N 1 2 239.275 -0.064 20 0 BBADLO COC[C@@H](O)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492772172 226050264 /nfs/dbraw/zinc/05/02/64/226050264.db2.gz SSJNOOOKUMLIOA-ZMWSMAPVSA-N 1 2 239.275 -0.064 20 0 BBADLO O=C(C=Cc1c[nH]c[nH+]1)NC1(c2nn[nH]n2)CC1 ZINC000492773317 226050637 /nfs/dbraw/zinc/05/06/37/226050637.db2.gz UZMQCBGBEJDTJQ-OWOJBTEDSA-N 1 2 245.246 -0.259 20 0 BBADLO O=C(C=Cc1c[nH]c[nH+]1)NC1(c2nn[nH]n2)CC1 ZINC000492773318 226050207 /nfs/dbraw/zinc/05/02/07/226050207.db2.gz UZMQCBGBEJDTJQ-UPHRSURJSA-N 1 2 245.246 -0.259 20 0 BBADLO CCO/C=C/C(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000492790258 528483130 /nfs/dbraw/zinc/48/31/30/528483130.db2.gz AKKMTLUVOJRMPL-AYLMVEPYSA-N 1 2 241.335 -0.101 20 0 BBADLO CCO/C=C/C(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000492790258 528483123 /nfs/dbraw/zinc/48/31/23/528483123.db2.gz AKKMTLUVOJRMPL-AYLMVEPYSA-N 1 2 241.335 -0.101 20 0 BBADLO CCO/C=C/C(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000492790259 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/nfs/dbraw/zinc/09/52/33/528095233.db2.gz DKFPOALSUONCEC-SECBINFHSA-N 1 2 241.291 -0.351 20 0 BBADLO CCNC(=O)C[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494130929 528095972 /nfs/dbraw/zinc/09/59/72/528095972.db2.gz DKFPOALSUONCEC-VIFPVBQESA-N 1 2 241.291 -0.351 20 0 BBADLO CCNC(=O)C[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494130929 528095968 /nfs/dbraw/zinc/09/59/68/528095968.db2.gz DKFPOALSUONCEC-VIFPVBQESA-N 1 2 241.291 -0.351 20 0 BBADLO COC(=O)N[C@@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000494166788 534155134 /nfs/dbraw/zinc/15/51/34/534155134.db2.gz FDSFFVRLLNWGBG-LURJTMIESA-N 1 2 226.236 -0.230 20 0 BBADLO O=C(NCCCCO)NCCn1cc[nH+]c1 ZINC000494193928 226261849 /nfs/dbraw/zinc/26/18/49/226261849.db2.gz DBOIZLUGWIEHHY-UHFFFAOYSA-N 1 2 226.280 -0.045 20 0 BBADLO COC(=O)N[C@@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000494297854 534149325 /nfs/dbraw/zinc/14/93/25/534149325.db2.gz GCOAVLVPKXYCSW-LURJTMIESA-N 1 2 239.231 -0.108 20 0 BBADLO CN(C)C(=O)C[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494308395 226263734 /nfs/dbraw/zinc/26/37/34/226263734.db2.gz AOCSREJPYXWVGO-SECBINFHSA-N 1 2 241.291 -0.399 20 0 BBADLO CN(C)C(=O)C[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494308395 226263733 /nfs/dbraw/zinc/26/37/33/226263733.db2.gz AOCSREJPYXWVGO-SECBINFHSA-N 1 2 241.291 -0.399 20 0 BBADLO CN(C)C(=O)C[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494308396 226263575 /nfs/dbraw/zinc/26/35/75/226263575.db2.gz AOCSREJPYXWVGO-VIFPVBQESA-N 1 2 241.291 -0.399 20 0 BBADLO CN(C)C(=O)C[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494308396 226263574 /nfs/dbraw/zinc/26/35/74/226263574.db2.gz AOCSREJPYXWVGO-VIFPVBQESA-N 1 2 241.291 -0.399 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494317031 226264089 /nfs/dbraw/zinc/26/40/89/226264089.db2.gz OIZNFGXVXKECLO-HTQZYQBOSA-N 1 2 227.264 -0.613 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494317031 226264088 /nfs/dbraw/zinc/26/40/88/226264088.db2.gz OIZNFGXVXKECLO-HTQZYQBOSA-N 1 2 227.264 -0.613 20 0 BBADLO C[C@@H](C(N)=O)[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494317032 226263923 /nfs/dbraw/zinc/26/39/23/226263923.db2.gz OIZNFGXVXKECLO-JGVFFNPUSA-N 1 2 227.264 -0.613 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494317032 226263922 /nfs/dbraw/zinc/26/39/22/226263922.db2.gz OIZNFGXVXKECLO-JGVFFNPUSA-N 1 2 227.264 -0.613 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494317033 226264059 /nfs/dbraw/zinc/26/40/59/226264059.db2.gz OIZNFGXVXKECLO-SFYZADRCSA-N 1 2 227.264 -0.613 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494317033 226264058 /nfs/dbraw/zinc/26/40/58/226264058.db2.gz OIZNFGXVXKECLO-SFYZADRCSA-N 1 2 227.264 -0.613 20 0 BBADLO C[C@@H](C(N)=O)[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494317034 226263865 /nfs/dbraw/zinc/26/38/65/226263865.db2.gz OIZNFGXVXKECLO-YUMQZZPRSA-N 1 2 227.264 -0.613 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494317034 226263864 /nfs/dbraw/zinc/26/38/64/226263864.db2.gz OIZNFGXVXKECLO-YUMQZZPRSA-N 1 2 227.264 -0.613 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494318809 529299271 /nfs/dbraw/zinc/29/92/71/529299271.db2.gz SMUULZQKWBFQNS-BDAKNGLRSA-N 1 2 241.291 -0.223 20 0 BBADLO CC[C@@H](C(N)=O)[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494318809 529299270 /nfs/dbraw/zinc/29/92/70/529299270.db2.gz SMUULZQKWBFQNS-BDAKNGLRSA-N 1 2 241.291 -0.223 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494318810 529629063 /nfs/dbraw/zinc/62/90/63/529629063.db2.gz SMUULZQKWBFQNS-DTWKUNHWSA-N 1 2 241.291 -0.223 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494318810 529629062 /nfs/dbraw/zinc/62/90/62/529629062.db2.gz SMUULZQKWBFQNS-DTWKUNHWSA-N 1 2 241.291 -0.223 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494318811 529298881 /nfs/dbraw/zinc/29/88/81/529298881.db2.gz SMUULZQKWBFQNS-IUCAKERBSA-N 1 2 241.291 -0.223 20 0 BBADLO CC[C@@H](C(N)=O)[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494318811 529298878 /nfs/dbraw/zinc/29/88/78/529298878.db2.gz SMUULZQKWBFQNS-IUCAKERBSA-N 1 2 241.291 -0.223 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494318812 529629013 /nfs/dbraw/zinc/62/90/13/529629013.db2.gz SMUULZQKWBFQNS-RKDXNWHRSA-N 1 2 241.291 -0.223 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494318812 529629010 /nfs/dbraw/zinc/62/90/10/529629010.db2.gz SMUULZQKWBFQNS-RKDXNWHRSA-N 1 2 241.291 -0.223 20 0 BBADLO O=C1OC[C@H]2C[N@@H+](CC3OCCO3)CCN12 ZINC000494436644 534816599 /nfs/dbraw/zinc/81/65/99/534816599.db2.gz ZCYATOITNSCAFI-MRVPVSSYSA-N 1 2 228.248 -0.504 20 0 BBADLO O=C1OC[C@H]2C[N@H+](CC3OCCO3)CCN12 ZINC000494436644 534816594 /nfs/dbraw/zinc/81/65/94/534816594.db2.gz ZCYATOITNSCAFI-MRVPVSSYSA-N 1 2 228.248 -0.504 20 0 BBADLO O=C1OC[C@@H]2C[N@@H+](CC3OCCO3)CCN12 ZINC000494436645 534817512 /nfs/dbraw/zinc/81/75/12/534817512.db2.gz ZCYATOITNSCAFI-QMMMGPOBSA-N 1 2 228.248 -0.504 20 0 BBADLO O=C1OC[C@@H]2C[N@H+](CC3OCCO3)CCN12 ZINC000494436645 534817508 /nfs/dbraw/zinc/81/75/08/534817508.db2.gz ZCYATOITNSCAFI-QMMMGPOBSA-N 1 2 228.248 -0.504 20 0 BBADLO C[C@H](O)C[NH+]1CCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000494479703 226265771 /nfs/dbraw/zinc/26/57/71/226265771.db2.gz YOCXGLVRBWPQLO-QMMMGPOBSA-N 1 2 241.295 -0.991 20 0 BBADLO COC(=O)C(C)(C)N1CC[NH+](CC(N)=O)CC1 ZINC000494481391 533155287 /nfs/dbraw/zinc/15/52/87/533155287.db2.gz GGNCKQNIMLDHDL-UHFFFAOYSA-N 1 2 243.307 -0.959 20 0 BBADLO O=C1OCC[C@@H]2C[N@@H+](CC3OCCO3)CCN12 ZINC000494538876 534809983 /nfs/dbraw/zinc/80/99/83/534809983.db2.gz KJFXRRHZNSBRMK-SECBINFHSA-N 1 2 242.275 -0.114 20 0 BBADLO O=C1OCC[C@@H]2C[N@H+](CC3OCCO3)CCN12 ZINC000494538876 534809977 /nfs/dbraw/zinc/80/99/77/534809977.db2.gz KJFXRRHZNSBRMK-SECBINFHSA-N 1 2 242.275 -0.114 20 0 BBADLO O=C1OCC[C@H]2C[N@@H+](CC3OCCO3)CCN12 ZINC000494538883 534814226 /nfs/dbraw/zinc/81/42/26/534814226.db2.gz KJFXRRHZNSBRMK-VIFPVBQESA-N 1 2 242.275 -0.114 20 0 BBADLO O=C1OCC[C@H]2C[N@H+](CC3OCCO3)CCN12 ZINC000494538883 534814222 /nfs/dbraw/zinc/81/42/22/534814222.db2.gz 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GNDXGZYNAHWSCK-SNVBAGLBSA-N 1 2 230.308 -0.452 20 0 BBADLO CCOC[C@H](O)C[N@H+]1CCN(CC)C(=O)[C@H]1C ZINC000495199591 528996395 /nfs/dbraw/zinc/99/63/95/528996395.db2.gz GGNUJGWSDJUZJL-GHMZBOCLSA-N 1 2 244.335 -0.064 20 0 BBADLO CCOC[C@H](O)C[N@@H+]1CCN(CC)C(=O)[C@H]1C ZINC000495199591 528996390 /nfs/dbraw/zinc/99/63/90/528996390.db2.gz GGNUJGWSDJUZJL-GHMZBOCLSA-N 1 2 244.335 -0.064 20 0 BBADLO CCOC[C@@H](O)C[N@H+]1CCN(CC)C(=O)[C@H]1C ZINC000495199608 528900547 /nfs/dbraw/zinc/90/05/47/528900547.db2.gz GGNUJGWSDJUZJL-MNOVXSKESA-N 1 2 244.335 -0.064 20 0 BBADLO CCOC[C@@H](O)C[N@@H+]1CCN(CC)C(=O)[C@H]1C ZINC000495199608 528900542 /nfs/dbraw/zinc/90/05/42/528900542.db2.gz GGNUJGWSDJUZJL-MNOVXSKESA-N 1 2 244.335 -0.064 20 0 BBADLO CCOC[C@@H](O)C[N@H+]1CCN(CC)C(=O)[C@@H]1C ZINC000495199609 528901254 /nfs/dbraw/zinc/90/12/54/528901254.db2.gz GGNUJGWSDJUZJL-QWRGUYRKSA-N 1 2 244.335 -0.064 20 0 BBADLO CCOC[C@@H](O)C[N@@H+]1CCN(CC)C(=O)[C@@H]1C ZINC000495199609 528901244 /nfs/dbraw/zinc/90/12/44/528901244.db2.gz GGNUJGWSDJUZJL-QWRGUYRKSA-N 1 2 244.335 -0.064 20 0 BBADLO CCOC[C@H](O)C[N@H+]1CCN(CC)C(=O)[C@@H]1C ZINC000495199612 528996888 /nfs/dbraw/zinc/99/68/88/528996888.db2.gz GGNUJGWSDJUZJL-WDEREUQCSA-N 1 2 244.335 -0.064 20 0 BBADLO CCOC[C@H](O)C[N@@H+]1CCN(CC)C(=O)[C@@H]1C ZINC000495199612 528996885 /nfs/dbraw/zinc/99/68/85/528996885.db2.gz GGNUJGWSDJUZJL-WDEREUQCSA-N 1 2 244.335 -0.064 20 0 BBADLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1CCOCCO ZINC000495213617 529264338 /nfs/dbraw/zinc/26/43/38/529264338.db2.gz XZDOEQOGKPCBDT-LLVKDONJSA-N 1 2 244.335 -0.062 20 0 BBADLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1CCOCCO ZINC000495213617 529264337 /nfs/dbraw/zinc/26/43/37/529264337.db2.gz XZDOEQOGKPCBDT-LLVKDONJSA-N 1 2 244.335 -0.062 20 0 BBADLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1CCOCCO ZINC000495213618 529192118 /nfs/dbraw/zinc/19/21/18/529192118.db2.gz XZDOEQOGKPCBDT-NSHDSACASA-N 1 2 244.335 -0.062 20 0 BBADLO CC[C@H]1C(=O)N(CC)CC[N@H+]1CCOCCO ZINC000495213618 529192117 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CC[N@@H+](CC(N)=O)C[C@H]1CN(C)C(=O)O1 ZINC000496193166 527979734 /nfs/dbraw/zinc/97/97/34/527979734.db2.gz JRHQQPIYZLIFKE-SSDOTTSWSA-N 1 2 215.253 -0.756 20 0 BBADLO CC[N@H+](CC(N)=O)C[C@@H]1CN(C)C(=O)O1 ZINC000496193176 527979184 /nfs/dbraw/zinc/97/91/84/527979184.db2.gz JRHQQPIYZLIFKE-ZETCQYMHSA-N 1 2 215.253 -0.756 20 0 BBADLO CC[N@@H+](CC(N)=O)C[C@@H]1CN(C)C(=O)O1 ZINC000496193176 527979179 /nfs/dbraw/zinc/97/91/79/527979179.db2.gz JRHQQPIYZLIFKE-ZETCQYMHSA-N 1 2 215.253 -0.756 20 0 BBADLO CCn1cc[nH+]c1CNC(=O)CNC(=O)OC ZINC000496193845 529571352 /nfs/dbraw/zinc/57/13/52/529571352.db2.gz DSBLDSGUKOYJSE-UHFFFAOYSA-N 1 2 240.263 -0.125 20 0 BBADLO COC(=O)N1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000496209292 534004361 /nfs/dbraw/zinc/00/43/61/534004361.db2.gz VEFPWWXGHUDPIS-JTQLQIEISA-N 1 2 244.291 -0.214 20 0 BBADLO COC(=O)N1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000496209294 534003653 /nfs/dbraw/zinc/00/36/53/534003653.db2.gz VEFPWWXGHUDPIS-SNVBAGLBSA-N 1 2 244.291 -0.214 20 0 BBADLO 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-0.353 20 0 BBADLO C[C@H]1C(=O)NCCC[N@@H+]1C[C@H]1CN(C)C(=O)O1 ZINC000496302781 226301542 /nfs/dbraw/zinc/30/15/42/226301542.db2.gz GECUMEHGVDMPNP-DTWKUNHWSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@H]1C(=O)NCCC[N@H+]1C[C@H]1CN(C)C(=O)O1 ZINC000496302781 226301541 /nfs/dbraw/zinc/30/15/41/226301541.db2.gz GECUMEHGVDMPNP-DTWKUNHWSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@H]1C(=O)NCCC[N@@H+]1C[C@@H]1CN(C)C(=O)O1 ZINC000496302782 226301382 /nfs/dbraw/zinc/30/13/82/226301382.db2.gz GECUMEHGVDMPNP-IUCAKERBSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@H]1C(=O)NCCC[N@H+]1C[C@@H]1CN(C)C(=O)O1 ZINC000496302782 226301381 /nfs/dbraw/zinc/30/13/81/226301381.db2.gz GECUMEHGVDMPNP-IUCAKERBSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@@H]1C(=O)NCCC[N@@H+]1C[C@H]1CN(C)C(=O)O1 ZINC000496302783 226301430 /nfs/dbraw/zinc/30/14/30/226301430.db2.gz GECUMEHGVDMPNP-RKDXNWHRSA-N 1 2 241.291 -0.353 20 0 BBADLO C[C@@H]1C(=O)NCCC[N@H+]1C[C@H]1CN(C)C(=O)O1 ZINC000496302783 226301429 /nfs/dbraw/zinc/30/14/29/226301429.db2.gz 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/nfs/dbraw/zinc/19/49/16/529194916.db2.gz ZAZAGABXBHULAF-IUCAKERBSA-N 1 2 241.291 -0.353 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CN(C)C(=O)O1 ZINC000496333988 529266540 /nfs/dbraw/zinc/26/65/40/529266540.db2.gz ZAZAGABXBHULAF-RKDXNWHRSA-N 1 2 241.291 -0.353 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CN(C)C(=O)O1 ZINC000496333988 529266537 /nfs/dbraw/zinc/26/65/37/529266537.db2.gz ZAZAGABXBHULAF-RKDXNWHRSA-N 1 2 241.291 -0.353 20 0 BBADLO COC(=O)N1CC[NH+](C[C@@](C)(O)C(C)=O)CC1 ZINC000496395066 534004735 /nfs/dbraw/zinc/00/47/35/534004735.db2.gz DBBOWKJQHDFUFC-LLVKDONJSA-N 1 2 244.291 -0.290 20 0 BBADLO COC(=O)N1CC[NH+](C[C@](C)(O)C(C)=O)CC1 ZINC000496395069 534004831 /nfs/dbraw/zinc/00/48/31/534004831.db2.gz DBBOWKJQHDFUFC-NSHDSACASA-N 1 2 244.291 -0.290 20 0 BBADLO C[C@@H]([NH2+]C[C@@H]1CN(C)C(=O)O1)c1ncn(C)n1 ZINC000496407868 533423239 /nfs/dbraw/zinc/42/32/39/533423239.db2.gz WJRKDVMXHODFQW-HTQZYQBOSA-N 1 2 239.279 -0.084 20 0 BBADLO C[C@H]([NH2+]C[C@@H]1CN(C)C(=O)O1)c1ncn(C)n1 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ZINC000505474061 529365542 /nfs/dbraw/zinc/36/55/42/529365542.db2.gz MHAUCOCZNLEYCT-HTQZYQBOSA-N 1 2 215.297 -0.293 20 0 BBADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CC(N)=O ZINC000505474061 529365540 /nfs/dbraw/zinc/36/55/40/529365540.db2.gz MHAUCOCZNLEYCT-HTQZYQBOSA-N 1 2 215.297 -0.293 20 0 BBADLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC(N)=O ZINC000505474062 529163397 /nfs/dbraw/zinc/16/33/97/529163397.db2.gz MHAUCOCZNLEYCT-JGVFFNPUSA-N 1 2 215.297 -0.293 20 0 BBADLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CC(N)=O ZINC000505474062 529163395 /nfs/dbraw/zinc/16/33/95/529163395.db2.gz MHAUCOCZNLEYCT-JGVFFNPUSA-N 1 2 215.297 -0.293 20 0 BBADLO CC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CC(N)=O ZINC000505474063 529369087 /nfs/dbraw/zinc/36/90/87/529369087.db2.gz MHAUCOCZNLEYCT-SFYZADRCSA-N 1 2 215.297 -0.293 20 0 BBADLO CC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)CC(N)=O ZINC000505474063 529369086 /nfs/dbraw/zinc/36/90/86/529369086.db2.gz MHAUCOCZNLEYCT-SFYZADRCSA-N 1 2 215.297 -0.293 20 0 BBADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CC(N)=O ZINC000505474064 529171373 /nfs/dbraw/zinc/17/13/73/529171373.db2.gz MHAUCOCZNLEYCT-YUMQZZPRSA-N 1 2 215.297 -0.293 20 0 BBADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+](C)CC(N)=O ZINC000505474064 529171372 /nfs/dbraw/zinc/17/13/72/529171372.db2.gz MHAUCOCZNLEYCT-YUMQZZPRSA-N 1 2 215.297 -0.293 20 0 BBADLO CC(C)CCNC(=O)[C@H](C)[N@@H+](C)CC(N)=O ZINC000505474842 527738193 /nfs/dbraw/zinc/73/81/93/527738193.db2.gz UTXBEBGTDHDEGL-VIFPVBQESA-N 1 2 229.324 -0.046 20 0 BBADLO CC(C)CCNC(=O)[C@H](C)[N@H+](C)CC(N)=O ZINC000505474842 527738189 /nfs/dbraw/zinc/73/81/89/527738189.db2.gz UTXBEBGTDHDEGL-VIFPVBQESA-N 1 2 229.324 -0.046 20 0 BBADLO CC(C)CNC(=O)[C@H](C)[N@@H+](C)CC(N)=O ZINC000505480529 528054842 /nfs/dbraw/zinc/05/48/42/528054842.db2.gz NJIRBCUUUSJRRO-QMMMGPOBSA-N 1 2 215.297 -0.436 20 0 BBADLO CC(C)CNC(=O)[C@H](C)[N@H+](C)CC(N)=O ZINC000505480529 528054835 /nfs/dbraw/zinc/05/48/35/528054835.db2.gz NJIRBCUUUSJRRO-QMMMGPOBSA-N 1 2 215.297 -0.436 20 0 BBADLO CCCNC(=O)[C@@H](C)[N@@H+](C)CC(N)=O ZINC000505486293 528421486 /nfs/dbraw/zinc/42/14/86/528421486.db2.gz IRKQFGYKRBDQPE-SSDOTTSWSA-N 1 2 201.270 -0.682 20 0 BBADLO CCCNC(=O)[C@@H](C)[N@H+](C)CC(N)=O ZINC000505486293 528421482 /nfs/dbraw/zinc/42/14/82/528421482.db2.gz IRKQFGYKRBDQPE-SSDOTTSWSA-N 1 2 201.270 -0.682 20 0 BBADLO CCCNC(=O)[C@H](C)[N@@H+](C)CC(N)=O ZINC000505486294 528433595 /nfs/dbraw/zinc/43/35/95/528433595.db2.gz IRKQFGYKRBDQPE-ZETCQYMHSA-N 1 2 201.270 -0.682 20 0 BBADLO CCCNC(=O)[C@H](C)[N@H+](C)CC(N)=O ZINC000505486294 528433589 /nfs/dbraw/zinc/43/35/89/528433589.db2.gz IRKQFGYKRBDQPE-ZETCQYMHSA-N 1 2 201.270 -0.682 20 0 BBADLO CN(CC(F)(F)F)C(=O)C[N@@H+](C)CC(N)=O ZINC000505508301 529851703 /nfs/dbraw/zinc/85/17/03/529851703.db2.gz XHUAVSRIYPYGHF-UHFFFAOYSA-N 1 2 241.213 -0.576 20 0 BBADLO CN(CC(F)(F)F)C(=O)C[N@H+](C)CC(N)=O ZINC000505508301 529851701 /nfs/dbraw/zinc/85/17/01/529851701.db2.gz XHUAVSRIYPYGHF-UHFFFAOYSA-N 1 2 241.213 -0.576 20 0 BBADLO O=C(COC(F)F)N1CC[NH+](CCO)CC1 ZINC000505595880 226357380 /nfs/dbraw/zinc/35/73/80/226357380.db2.gz GPMRQVXWIMHLDY-UHFFFAOYSA-N 1 2 238.234 -0.638 20 0 BBADLO CCOC(=O)[C@@H](C)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000512151920 527727964 /nfs/dbraw/zinc/72/79/64/527727964.db2.gz IXQJQNKGSCHMCC-IWSPIJDZSA-N 1 2 217.265 -0.371 20 0 BBADLO CCOC(=O)[C@@H](C)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000512151920 527727960 /nfs/dbraw/zinc/72/79/60/527727960.db2.gz IXQJQNKGSCHMCC-IWSPIJDZSA-N 1 2 217.265 -0.371 20 0 BBADLO CC[C@@H](C(=O)OC)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000512153213 529296745 /nfs/dbraw/zinc/29/67/45/529296745.db2.gz RASZIYYDTOHHSU-DJLDLDEBSA-N 1 2 217.265 -0.371 20 0 BBADLO CC[C@@H](C(=O)OC)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000512153213 529296744 /nfs/dbraw/zinc/29/67/44/529296744.db2.gz RASZIYYDTOHHSU-DJLDLDEBSA-N 1 2 217.265 -0.371 20 0 BBADLO COC(=O)[C@@H](C1CC1)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000512220249 534239743 /nfs/dbraw/zinc/23/97/43/534239743.db2.gz RQCCUUFHOOFEGZ-OPRDCNLKSA-N 1 2 229.276 -0.371 20 0 BBADLO COC(=O)[C@@H](C1CC1)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000512220249 534239740 /nfs/dbraw/zinc/23/97/40/534239740.db2.gz RQCCUUFHOOFEGZ-OPRDCNLKSA-N 1 2 229.276 -0.371 20 0 BBADLO O=C(CNC(=O)C1CC1)Nc1cc[nH+]cc1O ZINC000514580768 386994965 /nfs/dbraw/zinc/99/49/65/386994965.db2.gz HIALUTQWQAHSRQ-UHFFFAOYSA-N 1 2 235.243 -0.326 20 0 BBADLO C[C@H](C[NH+]1CC(C)(C(N)=O)C1)CS(C)(=O)=O ZINC000514601018 387007607 /nfs/dbraw/zinc/00/76/07/387007607.db2.gz XMGFNPIJVVSCLU-MRVPVSSYSA-N 1 2 248.348 -0.526 20 0 BBADLO C[C@@H](C[NH+]1CC(C)(C(N)=O)C1)CS(C)(=O)=O ZINC000514601028 387006947 /nfs/dbraw/zinc/00/69/47/387006947.db2.gz XMGFNPIJVVSCLU-QMMMGPOBSA-N 1 2 248.348 -0.526 20 0 BBADLO CCc1cc(=O)[nH]c(C[NH2+]C(CO)CO)n1 ZINC000514611097 387013561 /nfs/dbraw/zinc/01/35/61/387013561.db2.gz IRJKHNQQJNOXQZ-UHFFFAOYSA-N 1 2 227.264 -0.813 20 0 BBADLO CC1(C)C[NH+](CC(=O)N[C@@H]2COC[C@H]2O)C1 ZINC000514614342 387011625 /nfs/dbraw/zinc/01/16/25/387011625.db2.gz KHLXWUJHZUYXAP-RKDXNWHRSA-N 1 2 228.292 -0.796 20 0 BBADLO Cc1n[nH]c(C(=O)NC[C@H]2C[NH2+]CCO2)c1C ZINC000514671730 387919208 /nfs/dbraw/zinc/91/92/08/387919208.db2.gz BJBJYZCDLHRFMT-SECBINFHSA-N 1 2 238.291 -0.255 20 0 BBADLO Cc1n[nH]c(C(=O)NC[C@@H]2C[NH2+]CCO2)c1C ZINC000514671731 387919128 /nfs/dbraw/zinc/91/91/28/387919128.db2.gz BJBJYZCDLHRFMT-VIFPVBQESA-N 1 2 238.291 -0.255 20 0 BBADLO CC(=O)[C@@](C)(O)C[N@@H+]1CCN(C)C(=O)C1 ZINC000514711145 487630914 /nfs/dbraw/zinc/63/09/14/487630914.db2.gz LKFHUPGGVXJDBT-JTQLQIEISA-N 1 2 214.265 -0.900 20 0 BBADLO CC(=O)[C@@](C)(O)C[N@H+]1CCN(C)C(=O)C1 ZINC000514711145 487630906 /nfs/dbraw/zinc/63/09/06/487630906.db2.gz LKFHUPGGVXJDBT-JTQLQIEISA-N 1 2 214.265 -0.900 20 0 BBADLO CC(=O)[C@](C)(O)C[N@@H+]1CCN(C)C(=O)C1 ZINC000514711146 487631204 /nfs/dbraw/zinc/63/12/04/487631204.db2.gz LKFHUPGGVXJDBT-SNVBAGLBSA-N 1 2 214.265 -0.900 20 0 BBADLO CC(=O)[C@](C)(O)C[N@H+]1CCN(C)C(=O)C1 ZINC000514711146 487631199 /nfs/dbraw/zinc/63/11/99/487631199.db2.gz LKFHUPGGVXJDBT-SNVBAGLBSA-N 1 2 214.265 -0.900 20 0 BBADLO CN(C)C(=O)CCC[N@H+]1CCN(C)C(=O)C1 ZINC000514795310 387291877 /nfs/dbraw/zinc/29/18/77/387291877.db2.gz GLYOZUWJTILQGH-UHFFFAOYSA-N 1 2 227.308 -0.371 20 0 BBADLO CN(C)C(=O)CCC[N@@H+]1CCN(C)C(=O)C1 ZINC000514795310 387291874 /nfs/dbraw/zinc/29/18/74/387291874.db2.gz GLYOZUWJTILQGH-UHFFFAOYSA-N 1 2 227.308 -0.371 20 0 BBADLO Cc1ccccc1[C@H]([NH3+])C(=O)NC1=NCC(=O)N1 ZINC000514857433 387296759 /nfs/dbraw/zinc/29/67/59/387296759.db2.gz PKADDTXJTIJPFT-JTQLQIEISA-N 1 2 246.270 -0.403 20 0 BBADLO Cc1ccccc1[C@@H]([NH3+])C(=O)NC1=NCC(=O)N1 ZINC000514857434 387297268 /nfs/dbraw/zinc/29/72/68/387297268.db2.gz PKADDTXJTIJPFT-SNVBAGLBSA-N 1 2 246.270 -0.403 20 0 BBADLO CCOC(=O)C[N@H+]1CCC[C@]12CCNC2=O ZINC000514947931 387312946 /nfs/dbraw/zinc/31/29/46/387312946.db2.gz PFDKSOQJXVQNSO-LLVKDONJSA-N 1 2 226.276 -0.096 20 0 BBADLO CCOC(=O)C[N@@H+]1CCC[C@]12CCNC2=O ZINC000514947931 387312941 /nfs/dbraw/zinc/31/29/41/387312941.db2.gz PFDKSOQJXVQNSO-LLVKDONJSA-N 1 2 226.276 -0.096 20 0 BBADLO CCOC(=O)C[N@H+]1CCC[C@@]12CCNC2=O ZINC000514947932 387311378 /nfs/dbraw/zinc/31/13/78/387311378.db2.gz PFDKSOQJXVQNSO-NSHDSACASA-N 1 2 226.276 -0.096 20 0 BBADLO CCOC(=O)C[N@@H+]1CCC[C@@]12CCNC2=O ZINC000514947932 387311371 /nfs/dbraw/zinc/31/13/71/387311371.db2.gz PFDKSOQJXVQNSO-NSHDSACASA-N 1 2 226.276 -0.096 20 0 BBADLO C[NH+]1CCN(C(=O)C(=O)N2CCC2(C)C)CC1 ZINC000515042880 387334320 /nfs/dbraw/zinc/33/43/20/387334320.db2.gz PWNPLCYUKDMUMD-UHFFFAOYSA-N 1 2 239.319 -0.229 20 0 BBADLO CCOC(=O)C[N@@H+](CC)C[C@@](C)(O)C(=O)OC ZINC000515328343 387364478 /nfs/dbraw/zinc/36/44/78/387364478.db2.gz SVMQIJJOXOMPIS-LLVKDONJSA-N 1 2 247.291 -0.205 20 0 BBADLO CCOC(=O)C[N@H+](CC)C[C@@](C)(O)C(=O)OC ZINC000515328343 387364472 /nfs/dbraw/zinc/36/44/72/387364472.db2.gz SVMQIJJOXOMPIS-LLVKDONJSA-N 1 2 247.291 -0.205 20 0 BBADLO CCOC(=O)C[N@@H+](CC)C[C@](C)(O)C(=O)OC ZINC000515328344 387364622 /nfs/dbraw/zinc/36/46/22/387364622.db2.gz SVMQIJJOXOMPIS-NSHDSACASA-N 1 2 247.291 -0.205 20 0 BBADLO CCOC(=O)C[N@H+](CC)C[C@](C)(O)C(=O)OC ZINC000515328344 387364617 /nfs/dbraw/zinc/36/46/17/387364617.db2.gz SVMQIJJOXOMPIS-NSHDSACASA-N 1 2 247.291 -0.205 20 0 BBADLO COC(=O)C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC000515419844 387378238 /nfs/dbraw/zinc/37/82/38/387378238.db2.gz GUNJXFIJAYLYLM-UHFFFAOYSA-N 1 2 237.259 -0.048 20 0 BBADLO O=C(Cn1cc[nH+]c1)NCCn1ccccc1=O ZINC000515502310 387392857 /nfs/dbraw/zinc/39/28/57/387392857.db2.gz ABHDIJORTGCJDR-UHFFFAOYSA-N 1 2 246.270 -0.139 20 0 BBADLO O=C(Cn1cc[nH+]c1)NC[C@@]1(O)CCSC1 ZINC000515568798 387399615 /nfs/dbraw/zinc/39/96/15/387399615.db2.gz SFRFDYSRGXABPE-JTQLQIEISA-N 1 2 241.316 -0.133 20 0 BBADLO O=C(Cn1cc[nH+]c1)NC[C@]1(O)CCSC1 ZINC000515568799 387398945 /nfs/dbraw/zinc/39/89/45/387398945.db2.gz SFRFDYSRGXABPE-SNVBAGLBSA-N 1 2 241.316 -0.133 20 0 BBADLO CN(C(=O)CN1CC[NH2+]CC1=O)C(C)(C)C ZINC000516067800 387453626 /nfs/dbraw/zinc/45/36/26/387453626.db2.gz ICLWPVHVGZLJMA-UHFFFAOYSA-N 1 2 227.308 -0.325 20 0 BBADLO CC(=O)N1CC(C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000516270640 387489678 /nfs/dbraw/zinc/48/96/78/387489678.db2.gz PFPUKNGZYQWNPN-UHFFFAOYSA-N 1 2 248.286 -0.255 20 0 BBADLO CC(C)NC(=O)NCC[N@@H+](C)CC(N)=O ZINC000516461444 387511629 /nfs/dbraw/zinc/51/16/29/387511629.db2.gz ORLRIDBVQGUGJF-UHFFFAOYSA-N 1 2 216.285 -0.889 20 0 BBADLO CC(C)NC(=O)NCC[N@H+](C)CC(N)=O ZINC000516461444 387511622 /nfs/dbraw/zinc/51/16/22/387511622.db2.gz ORLRIDBVQGUGJF-UHFFFAOYSA-N 1 2 216.285 -0.889 20 0 BBADLO COC(=O)[C@@H]([NH2+]CC1(O)CCCC1)[C@@H](C)O ZINC000516468498 387514474 /nfs/dbraw/zinc/51/44/74/387514474.db2.gz WVWSFFYEWZBMSQ-BDAKNGLRSA-N 1 2 231.292 -0.197 20 0 BBADLO COC(=O)[C@H]([NH2+]CC1(O)CCCC1)[C@H](C)O ZINC000516468499 387514335 /nfs/dbraw/zinc/51/43/35/387514335.db2.gz WVWSFFYEWZBMSQ-DTWKUNHWSA-N 1 2 231.292 -0.197 20 0 BBADLO COC(=O)[C@@H]([NH2+]CC1(O)CCCC1)[C@H](C)O ZINC000516468500 387513580 /nfs/dbraw/zinc/51/35/80/387513580.db2.gz WVWSFFYEWZBMSQ-IUCAKERBSA-N 1 2 231.292 -0.197 20 0 BBADLO COC(=O)[C@H]([NH2+]CC1(O)CCCC1)[C@@H](C)O ZINC000516468501 387514686 /nfs/dbraw/zinc/51/46/86/387514686.db2.gz WVWSFFYEWZBMSQ-RKDXNWHRSA-N 1 2 231.292 -0.197 20 0 BBADLO C[NH+]1CCN(C(=O)[C@H](N)c2cscn2)CC1 ZINC000516649524 411303221 /nfs/dbraw/zinc/30/32/21/411303221.db2.gz UVKRDSADIDPJJZ-SECBINFHSA-N 1 2 240.332 -0.083 20 0 BBADLO C[NH+]1CCN(C(=O)[C@@H](N)c2cscn2)CC1 ZINC000516649526 411302885 /nfs/dbraw/zinc/30/28/85/411302885.db2.gz UVKRDSADIDPJJZ-VIFPVBQESA-N 1 2 240.332 -0.083 20 0 BBADLO CNC(=O)CCC[N@@H+](CCOC)CC(=O)OC ZINC000516843091 388519913 /nfs/dbraw/zinc/51/99/13/388519913.db2.gz AXCQBPANPXPRFH-UHFFFAOYSA-N 1 2 246.307 -0.366 20 0 BBADLO CNC(=O)CCC[N@H+](CCOC)CC(=O)OC ZINC000516843091 388519911 /nfs/dbraw/zinc/51/99/11/388519911.db2.gz AXCQBPANPXPRFH-UHFFFAOYSA-N 1 2 246.307 -0.366 20 0 BBADLO C[C@H]1C(=O)NCCCN1C(=O)Cn1cc[nH+]c1 ZINC000516900861 388523517 /nfs/dbraw/zinc/52/35/17/388523517.db2.gz WXNJNQACSNRCIR-VIFPVBQESA-N 1 2 236.275 -0.380 20 0 BBADLO CC1(C(N)=O)C[NH+](Cc2cn(CC3CC3)nn2)C1 ZINC000516924039 388524839 /nfs/dbraw/zinc/52/48/39/388524839.db2.gz DCTIQIOCACWXAS-UHFFFAOYSA-N 1 2 249.318 -0.005 20 0 BBADLO Cc1c[nH+]c(C)nc1N1C[C@H](CO)[C@H](O)C1 ZINC000516938106 388526311 /nfs/dbraw/zinc/52/63/11/388526311.db2.gz SLOKLWIJDRTJMB-NXEZZACHSA-N 1 2 223.276 -0.117 20 0 BBADLO Cc1c[nH+]c(C)nc1N1C[C@H](O)[C@H](CO)C1 ZINC000516938109 388525943 /nfs/dbraw/zinc/52/59/43/388525943.db2.gz SLOKLWIJDRTJMB-UWVGGRQHSA-N 1 2 223.276 -0.117 20 0 BBADLO Cc1c[nH+]c(C)nc1N1C[C@@H](O)[C@H](CO)C1 ZINC000516938111 388526452 /nfs/dbraw/zinc/52/64/52/388526452.db2.gz SLOKLWIJDRTJMB-VHSXEESVSA-N 1 2 223.276 -0.117 20 0 BBADLO Cc1c[nH+]c(C)nc1N1C[C@H](O)[C@@H](CO)C1 ZINC000516938113 388526533 /nfs/dbraw/zinc/52/65/33/388526533.db2.gz SLOKLWIJDRTJMB-ZJUUUORDSA-N 1 2 223.276 -0.117 20 0 BBADLO CC(=O)NCC[N@H+](C)Cc1ccnn1C ZINC000517210155 388541747 /nfs/dbraw/zinc/54/17/47/388541747.db2.gz GYXNQKRUVDWZQR-UHFFFAOYSA-N 1 2 210.281 -0.012 20 0 BBADLO CC(=O)NCC[N@@H+](C)Cc1ccnn1C ZINC000517210155 388541746 /nfs/dbraw/zinc/54/17/46/388541746.db2.gz GYXNQKRUVDWZQR-UHFFFAOYSA-N 1 2 210.281 -0.012 20 0 BBADLO Cn1ncc2c1nc(N)[nH+]c2N[C@@H]1CC[C@H]1O ZINC000517247761 411961324 /nfs/dbraw/zinc/96/13/24/411961324.db2.gz SRZNADSPVRUDIA-RNFRBKRXSA-N 1 2 234.263 -0.119 20 0 BBADLO CC(=O)NCC[N@H+](C)CC(=O)N(C)C1CC1 ZINC000517367462 388547968 /nfs/dbraw/zinc/54/79/68/388547968.db2.gz YZJQVBWGYWRJCU-UHFFFAOYSA-N 1 2 227.308 -0.325 20 0 BBADLO CC(=O)NCC[N@@H+](C)CC(=O)N(C)C1CC1 ZINC000517367462 388547963 /nfs/dbraw/zinc/54/79/63/388547963.db2.gz YZJQVBWGYWRJCU-UHFFFAOYSA-N 1 2 227.308 -0.325 20 0 BBADLO CC(C)NC(=O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC000517545420 256827301 /nfs/dbraw/zinc/82/73/01/256827301.db2.gz OXYXDVAZKCCIOX-UHFFFAOYSA-N 1 2 238.291 -0.134 20 0 BBADLO COc1ccc(N2C(=O)C[C@@H]([NH3+])C2=O)cn1 ZINC000517582432 388554287 /nfs/dbraw/zinc/55/42/87/388554287.db2.gz AXCJDELTADWEEA-SSDOTTSWSA-N 1 2 221.216 -0.319 20 0 BBADLO COc1ccc(N2C(=O)C[C@H]([NH3+])C2=O)cn1 ZINC000517582433 388554568 /nfs/dbraw/zinc/55/45/68/388554568.db2.gz AXCJDELTADWEEA-ZETCQYMHSA-N 1 2 221.216 -0.319 20 0 BBADLO CC1(C)C[NH+](CC(=O)N2CCn3cnnc3C2)C1 ZINC000517583147 388554878 /nfs/dbraw/zinc/55/48/78/388554878.db2.gz ALZCQAJKBLJZLN-UHFFFAOYSA-N 1 2 249.318 -0.038 20 0 BBADLO O=C(NC1=NCC(=O)N1)c1ccc2[nH+]ccn2c1 ZINC000517621130 256830090 /nfs/dbraw/zinc/83/00/90/256830090.db2.gz TZGVFNGZOBMCIW-UHFFFAOYSA-N 1 2 243.226 -0.450 20 0 BBADLO O=C(NCCO)NCCCCn1cc[nH+]c1 ZINC000517726411 388557700 /nfs/dbraw/zinc/55/77/00/388557700.db2.gz VUYVCIJTSZUBAE-UHFFFAOYSA-N 1 2 226.280 -0.045 20 0 BBADLO CCO[C@H](CC)C(=O)N1CC[NH+](CCO)CC1 ZINC000517749593 322821456 /nfs/dbraw/zinc/82/14/56/322821456.db2.gz OQQFGMXVUDDYBJ-LLVKDONJSA-N 1 2 244.335 -0.062 20 0 BBADLO CCO[C@@H](CC)C(=O)N1CC[NH+](CCO)CC1 ZINC000517749596 384362719 /nfs/dbraw/zinc/36/27/19/384362719.db2.gz OQQFGMXVUDDYBJ-NSHDSACASA-N 1 2 244.335 -0.062 20 0 BBADLO CNc1ccc(Nc2nccn3nnnc23)c[nH+]1 ZINC000517763451 259336789 /nfs/dbraw/zinc/33/67/89/259336789.db2.gz ONFBJGMCMZMZDO-UHFFFAOYSA-N 1 2 242.246 -0.457 20 0 BBADLO O=C(NCC1CC1)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000517801382 384513172 /nfs/dbraw/zinc/51/31/72/384513172.db2.gz TVWBYXZEZKSATL-UHFFFAOYSA-N 1 2 248.286 -0.207 20 0 BBADLO Cn1ncc2c1nc(N)[nH+]c2N1CC(C)(CO)C1 ZINC000517961512 411955255 /nfs/dbraw/zinc/95/52/55/411955255.db2.gz QFLJUIQYGVVZNF-UHFFFAOYSA-N 1 2 248.290 -0.236 20 0 BBADLO CNS(=O)(=O)CCNCc1[nH]c(C)c(C)[nH+]1 ZINC000518218725 384816674 /nfs/dbraw/zinc/81/66/74/384816674.db2.gz RONPGFPVVAEKIW-UHFFFAOYSA-N 1 2 246.336 -0.335 20 0 BBADLO CNS(=O)(=O)CC[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000518218725 384816663 /nfs/dbraw/zinc/81/66/63/384816663.db2.gz RONPGFPVVAEKIW-UHFFFAOYSA-N 1 2 246.336 -0.335 20 0 BBADLO CO[C@@H]1COC[C@H]1NC(=O)Cc1[nH+]c[nH]c1C ZINC000518380160 385019860 /nfs/dbraw/zinc/01/98/60/385019860.db2.gz SEWIIIJJYNAORD-NXEZZACHSA-N 1 2 239.275 -0.209 20 0 BBADLO CO[C@@H]1COC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC000518380160 385019855 /nfs/dbraw/zinc/01/98/55/385019855.db2.gz SEWIIIJJYNAORD-NXEZZACHSA-N 1 2 239.275 -0.209 20 0 BBADLO O=C([C@H]1CCC(=O)C1)N1CC[NH+](CCO)CC1 ZINC000518538824 383993288 /nfs/dbraw/zinc/99/32/88/383993288.db2.gz RKUYDWQNVSSCDS-JTQLQIEISA-N 1 2 240.303 -0.508 20 0 BBADLO O=C([C@@H]1CCC(=O)C1)N1CC[NH+](CCO)CC1 ZINC000518538825 383993492 /nfs/dbraw/zinc/99/34/92/383993492.db2.gz RKUYDWQNVSSCDS-SNVBAGLBSA-N 1 2 240.303 -0.508 20 0 BBADLO C[C@H](O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000518741565 384253001 /nfs/dbraw/zinc/25/30/01/384253001.db2.gz CALXEMMQYLJSMB-DTWKUNHWSA-N 1 2 223.276 -0.058 20 0 BBADLO C[C@H](O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000518741566 384254282 /nfs/dbraw/zinc/25/42/82/384254282.db2.gz CALXEMMQYLJSMB-IUCAKERBSA-N 1 2 223.276 -0.058 20 0 BBADLO CC(C)NC(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC000518763973 259364133 /nfs/dbraw/zinc/36/41/33/259364133.db2.gz LIARDCYFWOYURN-UHFFFAOYSA-N 1 2 244.339 -0.286 20 0 BBADLO CC(C)NC(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC000518763973 259364132 /nfs/dbraw/zinc/36/41/32/259364132.db2.gz LIARDCYFWOYURN-UHFFFAOYSA-N 1 2 244.339 -0.286 20 0 BBADLO CN1C[C@H](NC(=O)Cn2cc[nH+]c2)CC1=O ZINC000519043971 386994088 /nfs/dbraw/zinc/99/40/88/386994088.db2.gz KYFZEYCNEYLCRM-MRVPVSSYSA-N 1 2 222.248 -0.770 20 0 BBADLO CN1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC1=O ZINC000519043972 386992798 /nfs/dbraw/zinc/99/27/98/386992798.db2.gz KYFZEYCNEYLCRM-QMMMGPOBSA-N 1 2 222.248 -0.770 20 0 BBADLO COC(=O)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000519177053 387027812 /nfs/dbraw/zinc/02/78/12/387027812.db2.gz RGEIEHMWMWFIBA-UHFFFAOYSA-N 1 2 214.265 -0.383 20 0 BBADLO CNC(=O)CCC[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000519419304 386435956 /nfs/dbraw/zinc/43/59/56/386435956.db2.gz UIQYTEVZTDYEFO-BJOHPYRUSA-N 1 2 232.349 -0.035 20 0 BBADLO CNC(=O)CCC[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000519419304 386435952 /nfs/dbraw/zinc/43/59/52/386435952.db2.gz UIQYTEVZTDYEFO-BJOHPYRUSA-N 1 2 232.349 -0.035 20 0 BBADLO CNC(=O)CCC[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000519419305 386437964 /nfs/dbraw/zinc/43/79/64/386437964.db2.gz UIQYTEVZTDYEFO-PSLIRLAXSA-N 1 2 232.349 -0.035 20 0 BBADLO CNC(=O)CCC[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000519419305 386437960 /nfs/dbraw/zinc/43/79/60/386437960.db2.gz UIQYTEVZTDYEFO-PSLIRLAXSA-N 1 2 232.349 -0.035 20 0 BBADLO CNC(=O)CCC[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000519419306 386437439 /nfs/dbraw/zinc/43/74/39/386437439.db2.gz UIQYTEVZTDYEFO-RFAUZJTJSA-N 1 2 232.349 -0.035 20 0 BBADLO CNC(=O)CCC[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000519419306 386437434 /nfs/dbraw/zinc/43/74/34/386437434.db2.gz UIQYTEVZTDYEFO-RFAUZJTJSA-N 1 2 232.349 -0.035 20 0 BBADLO CNC(=O)CCC[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000519419307 386436887 /nfs/dbraw/zinc/43/68/87/386436887.db2.gz UIQYTEVZTDYEFO-VFZGTOFNSA-N 1 2 232.349 -0.035 20 0 BBADLO CNC(=O)CCC[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000519419307 386436881 /nfs/dbraw/zinc/43/68/81/386436881.db2.gz UIQYTEVZTDYEFO-VFZGTOFNSA-N 1 2 232.349 -0.035 20 0 BBADLO Cn1c[nH+]cc1CC(=O)N(CCO)C1CC1 ZINC000519561563 386490326 /nfs/dbraw/zinc/49/03/26/386490326.db2.gz CXJXGAAZZIVREI-UHFFFAOYSA-N 1 2 223.276 -0.054 20 0 BBADLO CC(C)(O)CCC(=O)NCC[NH+]1CCOCC1 ZINC000519577676 386495666 /nfs/dbraw/zinc/49/56/66/386495666.db2.gz LUTCFCHZGZEOFV-UHFFFAOYSA-N 1 2 244.335 -0.014 20 0 BBADLO O=C1CN(CCC[NH2+]Cc2ccn[nH]2)CCN1 ZINC000519645550 386522875 /nfs/dbraw/zinc/52/28/75/386522875.db2.gz JJVBNIFNAZGSJH-UHFFFAOYSA-N 1 2 237.307 -0.679 20 0 BBADLO CCNC(=O)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000519677389 386530029 /nfs/dbraw/zinc/53/00/29/386530029.db2.gz YNIAKWQYIGYYQD-UHFFFAOYSA-N 1 2 236.275 -0.522 20 0 BBADLO C[C@H]([NH3+])[C@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000519768993 386552788 /nfs/dbraw/zinc/55/27/88/386552788.db2.gz MMXTUOAIUGIVHB-GUBZILKMSA-N 1 2 228.340 -0.929 20 0 BBADLO C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])[C@H](C)[NH3+] ZINC000519769027 386550746 /nfs/dbraw/zinc/55/07/46/386550746.db2.gz MMXTUOAIUGIVHB-KXUCPTDWSA-N 1 2 228.340 -0.929 20 0 BBADLO C[C@H]([NH3+])[C@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000519769031 386552648 /nfs/dbraw/zinc/55/26/48/386552648.db2.gz MMXTUOAIUGIVHB-LPEHRKFASA-N 1 2 228.340 -0.929 20 0 BBADLO C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])[C@H](C)[NH3+] ZINC000519769033 386550779 /nfs/dbraw/zinc/55/07/79/386550779.db2.gz MMXTUOAIUGIVHB-UTLUCORTSA-N 1 2 228.340 -0.929 20 0 BBADLO CC1(C)C[NH+](CC(=O)N2CCn3nncc3C2)C1 ZINC000519776309 386555037 /nfs/dbraw/zinc/55/50/37/386555037.db2.gz MJGVLEQMGGIDCK-UHFFFAOYSA-N 1 2 249.318 -0.038 20 0 BBADLO O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CC12CC2 ZINC000519823972 398178840 /nfs/dbraw/zinc/17/88/40/398178840.db2.gz KUIQFZFLAAUIOO-MRVPVSSYSA-N 1 2 223.276 -0.913 20 0 BBADLO O=C(CN1CC[NH2+]CC1=O)N[C@H]1CC12CC2 ZINC000519824086 256661273 /nfs/dbraw/zinc/66/12/73/256661273.db2.gz KUIQFZFLAAUIOO-QMMMGPOBSA-N 1 2 223.276 -0.913 20 0 BBADLO CN(CC[NH+]1CCOCC1)C(=O)C(C)(C)CO ZINC000519832006 386567399 /nfs/dbraw/zinc/56/73/99/386567399.db2.gz FAXHDSSGMZFBGI-UHFFFAOYSA-N 1 2 244.335 -0.205 20 0 BBADLO COC[C@H](CO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000519835812 398307625 /nfs/dbraw/zinc/30/76/25/398307625.db2.gz WIYKPTIFSZHXBA-VIFPVBQESA-N 1 2 230.308 -0.548 20 0 BBADLO CN(CCCn1cc[nH+]c1)c1nnnn1C ZINC000519897370 386578416 /nfs/dbraw/zinc/57/84/16/386578416.db2.gz OTJLDAMAWKDZEN-UHFFFAOYSA-N 1 2 221.268 -0.067 20 0 BBADLO COCCOC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000520301250 386647897 /nfs/dbraw/zinc/64/78/97/386647897.db2.gz XSMMLGHPECRSGP-UHFFFAOYSA-N 1 2 239.275 -0.243 20 0 BBADLO COC(=O)[C@H]([NH2+][C@H](C)[C@@H](C)O)[C@H](C)O ZINC000520407527 256672687 /nfs/dbraw/zinc/67/26/87/256672687.db2.gz GUANGDDLDLWKSJ-OOJXKGFFSA-N 1 2 205.254 -0.732 20 0 BBADLO COC(=O)[C@H]([NH2+][C@H](C)[C@H](C)O)[C@@H](C)O ZINC000520407528 386667106 /nfs/dbraw/zinc/66/71/06/386667106.db2.gz GUANGDDLDLWKSJ-ULAWRXDQSA-N 1 2 205.254 -0.732 20 0 BBADLO COC(=O)[C@H]([NH2+][C@H](C)[C@H](C)O)[C@H](C)O ZINC000520407529 386666941 /nfs/dbraw/zinc/66/69/41/386666941.db2.gz GUANGDDLDLWKSJ-VGRMVHKJSA-N 1 2 205.254 -0.732 20 0 BBADLO COC(=O)[C@H]([NH2+][C@H](C)[C@@H](C)O)[C@@H](C)O ZINC000520407530 386667608 /nfs/dbraw/zinc/66/76/08/386667608.db2.gz GUANGDDLDLWKSJ-WCTZXXKLSA-N 1 2 205.254 -0.732 20 0 BBADLO CN(C(=O)C[NH+]1CC(C)(C)C1)[C@@H]1CCNC1=O ZINC000520426301 386672062 /nfs/dbraw/zinc/67/20/62/386672062.db2.gz DRCNMGZZYOSXHF-SECBINFHSA-N 1 2 239.319 -0.325 20 0 BBADLO CN(C(=O)C[NH+]1CC(C)(C)C1)[C@H]1CCNC1=O ZINC000520426302 386672127 /nfs/dbraw/zinc/67/21/27/386672127.db2.gz DRCNMGZZYOSXHF-VIFPVBQESA-N 1 2 239.319 -0.325 20 0 BBADLO CO[C@@H]1COC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000520587085 386697489 /nfs/dbraw/zinc/69/74/89/386697489.db2.gz SOJQYPWTCDIFMR-RKDXNWHRSA-N 1 2 239.275 -0.128 20 0 BBADLO Cn1ncc2c1nc(N)[nH+]c2N1CC[C@@H](O)C1 ZINC000520838222 411957013 /nfs/dbraw/zinc/95/70/13/411957013.db2.gz UJENXEQPODWJPV-ZCFIWIBFSA-N 1 2 234.263 -0.484 20 0 BBADLO CCc1nnc(C[NH+]2CC(C)(C(N)=O)C2)o1 ZINC000521038638 256834426 /nfs/dbraw/zinc/83/44/26/256834426.db2.gz BIASLZVQQKFJKN-UHFFFAOYSA-N 1 2 224.264 -0.061 20 0 BBADLO C[C@@H](CC(=O)NC[C@@](C)(O)CO)n1cc[nH+]c1 ZINC000521054860 384562187 /nfs/dbraw/zinc/56/21/87/384562187.db2.gz MXZZXYGSHCCTSU-GXSJLCMTSA-N 1 2 241.291 -0.306 20 0 BBADLO C[C@H](CC(=O)NC[C@](C)(O)CO)n1cc[nH+]c1 ZINC000521054861 384560185 /nfs/dbraw/zinc/56/01/85/384560185.db2.gz MXZZXYGSHCCTSU-KOLCDFICSA-N 1 2 241.291 -0.306 20 0 BBADLO C[C@H](CC(=O)NC[C@@](C)(O)CO)n1cc[nH+]c1 ZINC000521054862 384562310 /nfs/dbraw/zinc/56/23/10/384562310.db2.gz MXZZXYGSHCCTSU-MWLCHTKSSA-N 1 2 241.291 -0.306 20 0 BBADLO C[C@@H](CC(=O)NC[C@](C)(O)CO)n1cc[nH+]c1 ZINC000521054863 384560163 /nfs/dbraw/zinc/56/01/63/384560163.db2.gz MXZZXYGSHCCTSU-ONGXEEELSA-N 1 2 241.291 -0.306 20 0 BBADLO NC(=O)[C@H]1CSCCN1Cc1c[nH]c[nH+]1 ZINC000521237540 388565892 /nfs/dbraw/zinc/56/58/92/388565892.db2.gz UUMOESYHDDVIOS-MRVPVSSYSA-N 1 2 226.305 -0.188 20 0 BBADLO NC(=O)[C@H]1CSCCN1Cc1c[nH+]c[nH]1 ZINC000521237540 388565891 /nfs/dbraw/zinc/56/58/91/388565891.db2.gz UUMOESYHDDVIOS-MRVPVSSYSA-N 1 2 226.305 -0.188 20 0 BBADLO NC(=O)[C@@H]1CSCCN1Cc1c[nH]c[nH+]1 ZINC000521237544 388565483 /nfs/dbraw/zinc/56/54/83/388565483.db2.gz UUMOESYHDDVIOS-QMMMGPOBSA-N 1 2 226.305 -0.188 20 0 BBADLO NC(=O)[C@@H]1CSCCN1Cc1c[nH+]c[nH]1 ZINC000521237544 388565481 /nfs/dbraw/zinc/56/54/81/388565481.db2.gz UUMOESYHDDVIOS-QMMMGPOBSA-N 1 2 226.305 -0.188 20 0 BBADLO COC(=O)CC1([NH2+]Cc2nnnn2C)CC1 ZINC000521442660 386748476 /nfs/dbraw/zinc/74/84/76/386748476.db2.gz MQOQYTDYQVOLTK-UHFFFAOYSA-N 1 2 225.252 -0.605 20 0 BBADLO COCc1noc(C[NH2+][C@@H]2COC[C@H]2OC)n1 ZINC000521870984 388637205 /nfs/dbraw/zinc/63/72/05/388637205.db2.gz RPIYGURKKSDASS-HTQZYQBOSA-N 1 2 243.263 -0.281 20 0 BBADLO O=C(CN1CC[NH2+]CC1=O)N[C@H]1C=CCCC1 ZINC000521880708 388638522 /nfs/dbraw/zinc/63/85/22/388638522.db2.gz BBRKMUGCZKYNCP-JTQLQIEISA-N 1 2 237.303 -0.357 20 0 BBADLO O=C(CN1CC[NH2+]CC1=O)N[C@@H]1C=CCCC1 ZINC000521880709 388638827 /nfs/dbraw/zinc/63/88/27/388638827.db2.gz BBRKMUGCZKYNCP-SNVBAGLBSA-N 1 2 237.303 -0.357 20 0 BBADLO CCOc1nnc(C[NH2+]C(CO)CO)s1 ZINC000521893879 388639446 /nfs/dbraw/zinc/63/94/46/388639446.db2.gz BLIOABVSPTUPGB-UHFFFAOYSA-N 1 2 233.293 -0.620 20 0 BBADLO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1n[nH]c(=O)[nH]1 ZINC000521950329 388670723 /nfs/dbraw/zinc/67/07/23/388670723.db2.gz HAQNLPGATRKGLP-HTQZYQBOSA-N 1 2 242.279 -0.518 20 0 BBADLO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1n[nH]c(=O)[nH]1 ZINC000521950329 388670720 /nfs/dbraw/zinc/67/07/20/388670720.db2.gz HAQNLPGATRKGLP-HTQZYQBOSA-N 1 2 242.279 -0.518 20 0 BBADLO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1n[nH]c(=O)[nH]1 ZINC000521950330 259579230 /nfs/dbraw/zinc/57/92/30/259579230.db2.gz HAQNLPGATRKGLP-JGVFFNPUSA-N 1 2 242.279 -0.518 20 0 BBADLO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1n[nH]c(=O)[nH]1 ZINC000521950330 259579228 /nfs/dbraw/zinc/57/92/28/259579228.db2.gz HAQNLPGATRKGLP-JGVFFNPUSA-N 1 2 242.279 -0.518 20 0 BBADLO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1n[nH]c(=O)[nH]1 ZINC000521950331 388670151 /nfs/dbraw/zinc/67/01/51/388670151.db2.gz HAQNLPGATRKGLP-SFYZADRCSA-N 1 2 242.279 -0.518 20 0 BBADLO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1n[nH]c(=O)[nH]1 ZINC000521950331 388670148 /nfs/dbraw/zinc/67/01/48/388670148.db2.gz HAQNLPGATRKGLP-SFYZADRCSA-N 1 2 242.279 -0.518 20 0 BBADLO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1n[nH]c(=O)[nH]1 ZINC000521950332 388670779 /nfs/dbraw/zinc/67/07/79/388670779.db2.gz HAQNLPGATRKGLP-YUMQZZPRSA-N 1 2 242.279 -0.518 20 0 BBADLO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1n[nH]c(=O)[nH]1 ZINC000521950332 388670777 /nfs/dbraw/zinc/67/07/77/388670777.db2.gz HAQNLPGATRKGLP-YUMQZZPRSA-N 1 2 242.279 -0.518 20 0 BBADLO CC[C@H](O)C[NH2+][C@@H](C(=O)OC)[C@H](C)O ZINC000522000868 384263331 /nfs/dbraw/zinc/26/33/31/384263331.db2.gz ABWHLIGMMORFHL-BIIVOSGPSA-N 1 2 205.254 -0.731 20 0 BBADLO CC[C@H](O)C[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000522000880 384264255 /nfs/dbraw/zinc/26/42/55/384264255.db2.gz ABWHLIGMMORFHL-CSMHCCOUSA-N 1 2 205.254 -0.731 20 0 BBADLO CC[C@H](O)C[NH2+][C@H](C(=O)OC)[C@H](C)O ZINC000522000881 384264791 /nfs/dbraw/zinc/26/47/91/384264791.db2.gz ABWHLIGMMORFHL-FXQIFTODSA-N 1 2 205.254 -0.731 20 0 BBADLO CC[C@H](O)C[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC000522000882 384263560 /nfs/dbraw/zinc/26/35/60/384263560.db2.gz ABWHLIGMMORFHL-GJMOJQLCSA-N 1 2 205.254 -0.731 20 0 BBADLO C[C@H](CC(=O)NCCn1ncnn1)n1cc[nH+]c1 ZINC000522003580 388673810 /nfs/dbraw/zinc/67/38/10/388673810.db2.gz HYZXHGMRAPYSLE-SECBINFHSA-N 1 2 249.278 -0.363 20 0 BBADLO C[C@@H](CC(=O)NCCn1ncnn1)n1cc[nH+]c1 ZINC000522003586 388673931 /nfs/dbraw/zinc/67/39/31/388673931.db2.gz HYZXHGMRAPYSLE-VIFPVBQESA-N 1 2 249.278 -0.363 20 0 BBADLO O=C(CNC(=O)C1CC1)N1CC(n2cc[nH+]c2)C1 ZINC000522265959 388740507 /nfs/dbraw/zinc/74/05/07/388740507.db2.gz JKEPHSWJQYISAY-UHFFFAOYSA-N 1 2 248.286 -0.207 20 0 BBADLO COCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000522267046 388741992 /nfs/dbraw/zinc/74/19/92/388741992.db2.gz BAOCNSYXLWSAMG-SECBINFHSA-N 1 2 216.281 -0.530 20 0 BBADLO COCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000522267046 388741990 /nfs/dbraw/zinc/74/19/90/388741990.db2.gz BAOCNSYXLWSAMG-SECBINFHSA-N 1 2 216.281 -0.530 20 0 BBADLO COCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000522267047 388742410 /nfs/dbraw/zinc/74/24/10/388742410.db2.gz BAOCNSYXLWSAMG-VIFPVBQESA-N 1 2 216.281 -0.530 20 0 BBADLO COCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000522267047 388742408 /nfs/dbraw/zinc/74/24/08/388742408.db2.gz BAOCNSYXLWSAMG-VIFPVBQESA-N 1 2 216.281 -0.530 20 0 BBADLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccn[nH]2)CCO1 ZINC000523053711 388794009 /nfs/dbraw/zinc/79/40/09/388794009.db2.gz PWGXJVIAYCKKRV-SECBINFHSA-N 1 2 238.291 -0.140 20 0 BBADLO C[C@@H]1C[N@H+](CCNC(=O)c2ccn[nH]2)CCO1 ZINC000523053711 388794008 /nfs/dbraw/zinc/79/40/08/388794008.db2.gz PWGXJVIAYCKKRV-SECBINFHSA-N 1 2 238.291 -0.140 20 0 BBADLO C[C@H]1C[N@@H+](CCNC(=O)c2ccn[nH]2)CCO1 ZINC000523053712 388793954 /nfs/dbraw/zinc/79/39/54/388793954.db2.gz PWGXJVIAYCKKRV-VIFPVBQESA-N 1 2 238.291 -0.140 20 0 BBADLO C[C@H]1C[N@H+](CCNC(=O)c2ccn[nH]2)CCO1 ZINC000523053712 388793951 /nfs/dbraw/zinc/79/39/51/388793951.db2.gz PWGXJVIAYCKKRV-VIFPVBQESA-N 1 2 238.291 -0.140 20 0 BBADLO CO[C@H](C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000523114788 388801215 /nfs/dbraw/zinc/80/12/15/388801215.db2.gz MBXVIVQYCODGBU-NXEZZACHSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@H](C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000523114788 388801211 /nfs/dbraw/zinc/80/12/11/388801211.db2.gz MBXVIVQYCODGBU-NXEZZACHSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@@H](C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000523114789 388801779 /nfs/dbraw/zinc/80/17/79/388801779.db2.gz MBXVIVQYCODGBU-UWVGGRQHSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@@H](C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000523114789 388801777 /nfs/dbraw/zinc/80/17/77/388801777.db2.gz MBXVIVQYCODGBU-UWVGGRQHSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@H](C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000523114790 388800945 /nfs/dbraw/zinc/80/09/45/388800945.db2.gz MBXVIVQYCODGBU-VHSXEESVSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@H](C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000523114790 388800943 /nfs/dbraw/zinc/80/09/43/388800943.db2.gz MBXVIVQYCODGBU-VHSXEESVSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@@H](C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000523114791 388801517 /nfs/dbraw/zinc/80/15/17/388801517.db2.gz MBXVIVQYCODGBU-ZJUUUORDSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@@H](C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000523114791 388801513 /nfs/dbraw/zinc/80/15/13/388801513.db2.gz MBXVIVQYCODGBU-ZJUUUORDSA-N 1 2 230.308 -0.142 20 0 BBADLO Cc1ncc2c(n1)CC[N@H+](Cc1nnnn1C)C2 ZINC000523371440 388835034 /nfs/dbraw/zinc/83/50/34/388835034.db2.gz MIDUFRMXLWGRSH-UHFFFAOYSA-N 1 2 245.290 -0.133 20 0 BBADLO Cc1ncc2c(n1)CC[N@@H+](Cc1nnnn1C)C2 ZINC000523371440 388835030 /nfs/dbraw/zinc/83/50/30/388835030.db2.gz MIDUFRMXLWGRSH-UHFFFAOYSA-N 1 2 245.290 -0.133 20 0 BBADLO CCOCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000523436109 398113656 /nfs/dbraw/zinc/11/36/56/398113656.db2.gz WNTNEZLKMKTJOT-JTQLQIEISA-N 1 2 230.308 -0.140 20 0 BBADLO CCOCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000523436109 398113651 /nfs/dbraw/zinc/11/36/51/398113651.db2.gz WNTNEZLKMKTJOT-JTQLQIEISA-N 1 2 230.308 -0.140 20 0 BBADLO CCOCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000523436110 398113568 /nfs/dbraw/zinc/11/35/68/398113568.db2.gz WNTNEZLKMKTJOT-SNVBAGLBSA-N 1 2 230.308 -0.140 20 0 BBADLO CCOCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000523436110 398113565 /nfs/dbraw/zinc/11/35/65/398113565.db2.gz WNTNEZLKMKTJOT-SNVBAGLBSA-N 1 2 230.308 -0.140 20 0 BBADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cn[nH]c2)CCO1 ZINC000523441905 388839228 /nfs/dbraw/zinc/83/92/28/388839228.db2.gz ZSTXHENMQXKQDB-SECBINFHSA-N 1 2 238.291 -0.140 20 0 BBADLO C[C@@H]1C[N@H+](CCNC(=O)c2cn[nH]c2)CCO1 ZINC000523441905 388839224 /nfs/dbraw/zinc/83/92/24/388839224.db2.gz ZSTXHENMQXKQDB-SECBINFHSA-N 1 2 238.291 -0.140 20 0 BBADLO C[C@H]1C[N@@H+](CCNC(=O)c2cn[nH]c2)CCO1 ZINC000523441906 388839994 /nfs/dbraw/zinc/83/99/94/388839994.db2.gz ZSTXHENMQXKQDB-VIFPVBQESA-N 1 2 238.291 -0.140 20 0 BBADLO C[C@H]1C[N@H+](CCNC(=O)c2cn[nH]c2)CCO1 ZINC000523441906 388839990 /nfs/dbraw/zinc/83/99/90/388839990.db2.gz ZSTXHENMQXKQDB-VIFPVBQESA-N 1 2 238.291 -0.140 20 0 BBADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCOC2)CCO1 ZINC000523482298 388843067 /nfs/dbraw/zinc/84/30/67/388843067.db2.gz JIZROICOOUCNSY-GHMZBOCLSA-N 1 2 242.319 -0.140 20 0 BBADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCOC2)CCO1 ZINC000523482298 388843066 /nfs/dbraw/zinc/84/30/66/388843066.db2.gz JIZROICOOUCNSY-GHMZBOCLSA-N 1 2 242.319 -0.140 20 0 BBADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCOC2)CCO1 ZINC000523482299 388842964 /nfs/dbraw/zinc/84/29/64/388842964.db2.gz JIZROICOOUCNSY-MNOVXSKESA-N 1 2 242.319 -0.140 20 0 BBADLO C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCOC2)CCO1 ZINC000523482299 388842960 /nfs/dbraw/zinc/84/29/60/388842960.db2.gz JIZROICOOUCNSY-MNOVXSKESA-N 1 2 242.319 -0.140 20 0 BBADLO C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CCOC2)CCO1 ZINC000523482300 388842885 /nfs/dbraw/zinc/84/28/85/388842885.db2.gz JIZROICOOUCNSY-QWRGUYRKSA-N 1 2 242.319 -0.140 20 0 BBADLO C[C@H]1C[N@H+](CCNC(=O)[C@H]2CCOC2)CCO1 ZINC000523482300 388842879 /nfs/dbraw/zinc/84/28/79/388842879.db2.gz JIZROICOOUCNSY-QWRGUYRKSA-N 1 2 242.319 -0.140 20 0 BBADLO C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCOC2)CCO1 ZINC000523482301 388842109 /nfs/dbraw/zinc/84/21/09/388842109.db2.gz JIZROICOOUCNSY-WDEREUQCSA-N 1 2 242.319 -0.140 20 0 BBADLO C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CCOC2)CCO1 ZINC000523482301 388842106 /nfs/dbraw/zinc/84/21/06/388842106.db2.gz JIZROICOOUCNSY-WDEREUQCSA-N 1 2 242.319 -0.140 20 0 BBADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cnc[nH]2)CCO1 ZINC000523505071 388844491 /nfs/dbraw/zinc/84/44/91/388844491.db2.gz PGEHJUWDFWKKEC-SECBINFHSA-N 1 2 238.291 -0.140 20 0 BBADLO C[C@@H]1C[N@H+](CCNC(=O)c2cnc[nH]2)CCO1 ZINC000523505071 388844487 /nfs/dbraw/zinc/84/44/87/388844487.db2.gz PGEHJUWDFWKKEC-SECBINFHSA-N 1 2 238.291 -0.140 20 0 BBADLO C[C@H]1C[N@@H+](CCNC(=O)c2cnc[nH]2)CCO1 ZINC000523505072 388843735 /nfs/dbraw/zinc/84/37/35/388843735.db2.gz PGEHJUWDFWKKEC-VIFPVBQESA-N 1 2 238.291 -0.140 20 0 BBADLO C[C@H]1C[N@H+](CCNC(=O)c2cnc[nH]2)CCO1 ZINC000523505072 388843731 /nfs/dbraw/zinc/84/37/31/388843731.db2.gz PGEHJUWDFWKKEC-VIFPVBQESA-N 1 2 238.291 -0.140 20 0 BBADLO CC(=O)N(C)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000523689267 388852406 /nfs/dbraw/zinc/85/24/06/388852406.db2.gz ZSDMJAUMOIYFKV-UHFFFAOYSA-N 1 2 236.275 -0.255 20 0 BBADLO C[C@@H]1C[N@H+](CCNC(=O)c2cn[nH]n2)CCO1 ZINC000523777846 388859374 /nfs/dbraw/zinc/85/93/74/388859374.db2.gz KPXPGUPZVWRRPU-MRVPVSSYSA-N 1 2 239.279 -0.745 20 0 BBADLO C[C@H]1C[N@H+](CCNC(=O)c2cn[nH]n2)CCO1 ZINC000523777847 388860001 /nfs/dbraw/zinc/86/00/01/388860001.db2.gz KPXPGUPZVWRRPU-QMMMGPOBSA-N 1 2 239.279 -0.745 20 0 BBADLO O=C([C@@H]1COCCO1)N1CC(n2cc[nH+]c2)C1 ZINC000524182592 259663790 /nfs/dbraw/zinc/66/37/90/259663790.db2.gz PWKAMDLQRAKNOO-JTQLQIEISA-N 1 2 237.259 -0.318 20 0 BBADLO O=C([C@H]1COCCO1)N1CC(n2cc[nH+]c2)C1 ZINC000524182593 388349559 /nfs/dbraw/zinc/34/95/59/388349559.db2.gz PWKAMDLQRAKNOO-SNVBAGLBSA-N 1 2 237.259 -0.318 20 0 BBADLO CCn1cc(C[N@@H+](C)CC(=O)NC(N)=O)cn1 ZINC000524355224 388356148 /nfs/dbraw/zinc/35/61/48/388356148.db2.gz BXBNQTHAVROGMF-UHFFFAOYSA-N 1 2 239.279 -0.470 20 0 BBADLO CCn1cc(C[N@H+](C)CC(=O)NC(N)=O)cn1 ZINC000524355224 388356146 /nfs/dbraw/zinc/35/61/46/388356146.db2.gz BXBNQTHAVROGMF-UHFFFAOYSA-N 1 2 239.279 -0.470 20 0 BBADLO O=C(NC1CC1)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000524541758 388365418 /nfs/dbraw/zinc/36/54/18/388365418.db2.gz HQHLCIUMTXROTC-UHFFFAOYSA-N 1 2 234.259 -0.455 20 0 BBADLO C[C@H]1CCCN1C(=O)CC[N@H+]1CCNC(=O)C1 ZINC000524754811 388406783 /nfs/dbraw/zinc/40/67/83/388406783.db2.gz RWBRMUOSIMAXQL-JTQLQIEISA-N 1 2 239.319 -0.181 20 0 BBADLO C[C@H]1CCCN1C(=O)CC[N@@H+]1CCNC(=O)C1 ZINC000524754811 388406781 /nfs/dbraw/zinc/40/67/81/388406781.db2.gz RWBRMUOSIMAXQL-JTQLQIEISA-N 1 2 239.319 -0.181 20 0 BBADLO C[C@@H]1CCCN1C(=O)CC[N@H+]1CCNC(=O)C1 ZINC000524754812 388406919 /nfs/dbraw/zinc/40/69/19/388406919.db2.gz RWBRMUOSIMAXQL-SNVBAGLBSA-N 1 2 239.319 -0.181 20 0 BBADLO C[C@@H]1CCCN1C(=O)CC[N@@H+]1CCNC(=O)C1 ZINC000524754812 388406917 /nfs/dbraw/zinc/40/69/17/388406917.db2.gz RWBRMUOSIMAXQL-SNVBAGLBSA-N 1 2 239.319 -0.181 20 0 BBADLO C[C@@H]1CC[N@@H+](CCNC(=O)CS(C)(=O)=O)C1 ZINC000525292764 388424216 /nfs/dbraw/zinc/42/42/16/388424216.db2.gz ZPMRFWPOLCSQLV-SECBINFHSA-N 1 2 248.348 -0.511 20 0 BBADLO C[C@@H]1CC[N@H+](CCNC(=O)CS(C)(=O)=O)C1 ZINC000525292764 388424214 /nfs/dbraw/zinc/42/42/14/388424214.db2.gz ZPMRFWPOLCSQLV-SECBINFHSA-N 1 2 248.348 -0.511 20 0 BBADLO C[C@H]1CC[N@@H+](CCNC(=O)CS(C)(=O)=O)C1 ZINC000525292765 388424179 /nfs/dbraw/zinc/42/41/79/388424179.db2.gz ZPMRFWPOLCSQLV-VIFPVBQESA-N 1 2 248.348 -0.511 20 0 BBADLO C[C@H]1CC[N@H+](CCNC(=O)CS(C)(=O)=O)C1 ZINC000525292765 388424172 /nfs/dbraw/zinc/42/41/72/388424172.db2.gz ZPMRFWPOLCSQLV-VIFPVBQESA-N 1 2 248.348 -0.511 20 0 BBADLO CN1CC[N@@H+](CCCN2CCCC2=O)CC1=O ZINC000525409816 388428588 /nfs/dbraw/zinc/42/85/88/388428588.db2.gz PRVOGNXDUOSJQG-UHFFFAOYSA-N 1 2 239.319 -0.227 20 0 BBADLO CN1CC[N@H+](CCCN2CCCC2=O)CC1=O ZINC000525409816 388428586 /nfs/dbraw/zinc/42/85/86/388428586.db2.gz PRVOGNXDUOSJQG-UHFFFAOYSA-N 1 2 239.319 -0.227 20 0 BBADLO O=C(NCCn1cc[nH+]c1)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000525973541 388434994 /nfs/dbraw/zinc/43/49/94/388434994.db2.gz SIPLJKREZWJIRW-MYJAWHEDSA-N 1 2 236.275 -0.173 20 0 BBADLO O=C1NC[C@@H]2C[N@@H+](CC3(F)CC3)CCN2C1=O ZINC000525978590 388442291 /nfs/dbraw/zinc/44/22/91/388442291.db2.gz CLXLTEDADYTSIO-MRVPVSSYSA-N 1 2 241.266 -0.869 20 0 BBADLO O=C1NC[C@@H]2C[N@H+](CC3(F)CC3)CCN2C1=O ZINC000525978590 388442288 /nfs/dbraw/zinc/44/22/88/388442288.db2.gz CLXLTEDADYTSIO-MRVPVSSYSA-N 1 2 241.266 -0.869 20 0 BBADLO O=C1NC[C@H]2C[N@@H+](CC3(F)CC3)CCN2C1=O ZINC000525978591 386841765 /nfs/dbraw/zinc/84/17/65/386841765.db2.gz CLXLTEDADYTSIO-QMMMGPOBSA-N 1 2 241.266 -0.869 20 0 BBADLO O=C1NC[C@H]2C[N@H+](CC3(F)CC3)CCN2C1=O ZINC000525978591 386841755 /nfs/dbraw/zinc/84/17/55/386841755.db2.gz CLXLTEDADYTSIO-QMMMGPOBSA-N 1 2 241.266 -0.869 20 0 BBADLO CNC(=O)[C@H]1C[N@@H+](CC2(F)CC2)CCO1 ZINC000525991732 388452476 /nfs/dbraw/zinc/45/24/76/388452476.db2.gz KULINBRIDFXUJA-MRVPVSSYSA-N 1 2 216.256 -0.065 20 0 BBADLO CNC(=O)[C@H]1C[N@H+](CC2(F)CC2)CCO1 ZINC000525991732 388452474 /nfs/dbraw/zinc/45/24/74/388452474.db2.gz KULINBRIDFXUJA-MRVPVSSYSA-N 1 2 216.256 -0.065 20 0 BBADLO CNC(=O)[C@@H]1C[N@@H+](CC2(F)CC2)CCO1 ZINC000525991733 388452660 /nfs/dbraw/zinc/45/26/60/388452660.db2.gz KULINBRIDFXUJA-QMMMGPOBSA-N 1 2 216.256 -0.065 20 0 BBADLO CNC(=O)[C@@H]1C[N@H+](CC2(F)CC2)CCO1 ZINC000525991733 388452658 /nfs/dbraw/zinc/45/26/58/388452658.db2.gz KULINBRIDFXUJA-QMMMGPOBSA-N 1 2 216.256 -0.065 20 0 BBADLO COC(=O)[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC000526026074 259720583 /nfs/dbraw/zinc/72/05/83/259720583.db2.gz JGCHTJILRZMOEH-MRVPVSSYSA-N 1 2 239.275 -0.018 20 0 BBADLO Cn1c[nH+]cc1CC(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000526027710 259720537 /nfs/dbraw/zinc/72/05/37/259720537.db2.gz ASYYRPIRENFLEW-JZYVYDRUSA-N 1 2 221.260 -0.276 20 0 BBADLO O=C(CCn1ccnn1)N1CC(n2cc[nH+]c2)C1 ZINC000526054063 259363679 /nfs/dbraw/zinc/36/36/79/259363679.db2.gz NVJZKKROIOSBBZ-UHFFFAOYSA-N 1 2 246.274 -0.052 20 0 BBADLO C[C@H]1C[N@@H+](CCNC(=O)CC(C)(C)O)CCO1 ZINC000526936063 386704404 /nfs/dbraw/zinc/70/44/04/386704404.db2.gz GEYUPDHPLHEKPG-JTQLQIEISA-N 1 2 244.335 -0.016 20 0 BBADLO C[C@H]1C[N@H+](CCNC(=O)CC(C)(C)O)CCO1 ZINC000526936063 386704395 /nfs/dbraw/zinc/70/43/95/386704395.db2.gz GEYUPDHPLHEKPG-JTQLQIEISA-N 1 2 244.335 -0.016 20 0 BBADLO C[C@@H]1C[N@@H+](CCNC(=O)CC(C)(C)O)CCO1 ZINC000526936064 386703165 /nfs/dbraw/zinc/70/31/65/386703165.db2.gz GEYUPDHPLHEKPG-SNVBAGLBSA-N 1 2 244.335 -0.016 20 0 BBADLO C[C@@H]1C[N@H+](CCNC(=O)CC(C)(C)O)CCO1 ZINC000526936064 386703160 /nfs/dbraw/zinc/70/31/60/386703160.db2.gz GEYUPDHPLHEKPG-SNVBAGLBSA-N 1 2 244.335 -0.016 20 0 BBADLO C[C@@H](O)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000527043918 386755224 /nfs/dbraw/zinc/75/52/24/386755224.db2.gz XLTZAZSOTJODST-DTWKUNHWSA-N 1 2 216.281 -0.796 20 0 BBADLO C[C@@H](O)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000527043918 386755222 /nfs/dbraw/zinc/75/52/22/386755222.db2.gz XLTZAZSOTJODST-DTWKUNHWSA-N 1 2 216.281 -0.796 20 0 BBADLO C[C@@H](O)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000527043921 386755056 /nfs/dbraw/zinc/75/50/56/386755056.db2.gz XLTZAZSOTJODST-RKDXNWHRSA-N 1 2 216.281 -0.796 20 0 BBADLO C[C@@H](O)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000527043921 386755051 /nfs/dbraw/zinc/75/50/51/386755051.db2.gz XLTZAZSOTJODST-RKDXNWHRSA-N 1 2 216.281 -0.796 20 0 BBADLO CC(=O)NC1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000527053294 386761056 /nfs/dbraw/zinc/76/10/56/386761056.db2.gz NLGHZLKZEXIHJR-UHFFFAOYSA-N 1 2 236.275 -0.691 20 0 BBADLO COC[C@H](C)C[N@@H+](C)Cc1nnnn1C ZINC000527115771 387484916 /nfs/dbraw/zinc/48/49/16/387484916.db2.gz SPCHBYCSQRLIRQ-MRVPVSSYSA-N 1 2 213.285 -0.076 20 0 BBADLO COC[C@H](C)C[N@H+](C)Cc1nnnn1C ZINC000527115771 387484908 /nfs/dbraw/zinc/48/49/08/387484908.db2.gz SPCHBYCSQRLIRQ-MRVPVSSYSA-N 1 2 213.285 -0.076 20 0 BBADLO COC[C@@H](C)C[N@@H+](C)Cc1nnnn1C ZINC000527115776 387485054 /nfs/dbraw/zinc/48/50/54/387485054.db2.gz SPCHBYCSQRLIRQ-QMMMGPOBSA-N 1 2 213.285 -0.076 20 0 BBADLO COC[C@@H](C)C[N@H+](C)Cc1nnnn1C ZINC000527115776 387485048 /nfs/dbraw/zinc/48/50/48/387485048.db2.gz SPCHBYCSQRLIRQ-QMMMGPOBSA-N 1 2 213.285 -0.076 20 0 BBADLO O=C1NC(=O)N2CC[N@H+](CC3(F)CC3)C[C@H]12 ZINC000527233859 262835045 /nfs/dbraw/zinc/83/50/45/262835045.db2.gz UPQUQFCUTLBJPK-SSDOTTSWSA-N 1 2 227.239 -0.276 20 0 BBADLO O=C1NC(=O)N2CC[N@@H+](CC3(F)CC3)C[C@H]12 ZINC000527233859 262835043 /nfs/dbraw/zinc/83/50/43/262835043.db2.gz UPQUQFCUTLBJPK-SSDOTTSWSA-N 1 2 227.239 -0.276 20 0 BBADLO O=C1NC(=O)N2CC[N@H+](CC3(F)CC3)C[C@@H]12 ZINC000527233861 387543277 /nfs/dbraw/zinc/54/32/77/387543277.db2.gz UPQUQFCUTLBJPK-ZETCQYMHSA-N 1 2 227.239 -0.276 20 0 BBADLO O=C1NC(=O)N2CC[N@@H+](CC3(F)CC3)C[C@@H]12 ZINC000527233861 387543273 /nfs/dbraw/zinc/54/32/73/387543273.db2.gz UPQUQFCUTLBJPK-ZETCQYMHSA-N 1 2 227.239 -0.276 20 0 BBADLO NS(=O)(=O)[C@@H]1CC[N@@H+](CC2(F)CC2)C1 ZINC000527234404 387544149 /nfs/dbraw/zinc/54/41/49/387544149.db2.gz NKCWYJRCMKVJAC-SSDOTTSWSA-N 1 2 222.285 -0.149 20 0 BBADLO NS(=O)(=O)[C@@H]1CC[N@H+](CC2(F)CC2)C1 ZINC000527234404 387544145 /nfs/dbraw/zinc/54/41/45/387544145.db2.gz NKCWYJRCMKVJAC-SSDOTTSWSA-N 1 2 222.285 -0.149 20 0 BBADLO NS(=O)(=O)[C@H]1CC[N@@H+](CC2(F)CC2)C1 ZINC000527234405 262835008 /nfs/dbraw/zinc/83/50/08/262835008.db2.gz NKCWYJRCMKVJAC-ZETCQYMHSA-N 1 2 222.285 -0.149 20 0 BBADLO NS(=O)(=O)[C@H]1CC[N@H+](CC2(F)CC2)C1 ZINC000527234405 262835007 /nfs/dbraw/zinc/83/50/07/262835007.db2.gz NKCWYJRCMKVJAC-ZETCQYMHSA-N 1 2 222.285 -0.149 20 0 BBADLO C[NH+](C)CC(=O)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000527484945 387579033 /nfs/dbraw/zinc/57/90/33/387579033.db2.gz KGOCUPAZCMFORP-MRVPVSSYSA-N 1 2 238.295 -0.533 20 0 BBADLO C[NH+](C)CC(=O)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000527484946 387578628 /nfs/dbraw/zinc/57/86/28/387578628.db2.gz KGOCUPAZCMFORP-QMMMGPOBSA-N 1 2 238.295 -0.533 20 0 BBADLO NC(=O)CN1CC[NH+](CC2(F)CC2)CC1 ZINC000527510907 387589649 /nfs/dbraw/zinc/58/96/49/387589649.db2.gz UFFPOOIYXDGVFA-UHFFFAOYSA-N 1 2 215.272 -0.409 20 0 BBADLO Cc1cc(C[NH+]2CCN(CC(N)=O)CC2)ccn1 ZINC000527533561 387625832 /nfs/dbraw/zinc/62/58/32/387625832.db2.gz JQNLJRFFKVJVIZ-UHFFFAOYSA-N 1 2 248.330 -0.007 20 0 BBADLO COc1ccc[nH+]c1N1CCO[C@@H](C(N)=O)C1 ZINC000527861543 387737756 /nfs/dbraw/zinc/73/77/56/387737756.db2.gz AXEXSUWPVJTYOY-SECBINFHSA-N 1 2 237.259 -0.219 20 0 BBADLO COc1ccc[nH+]c1N1CCO[C@H](C(N)=O)C1 ZINC000527861545 387737526 /nfs/dbraw/zinc/73/75/26/387737526.db2.gz AXEXSUWPVJTYOY-VIFPVBQESA-N 1 2 237.259 -0.219 20 0 BBADLO CCn1ncc(C[NH2+][C@H](C)CS(C)(=O)=O)n1 ZINC000527921859 387790314 /nfs/dbraw/zinc/79/03/14/387790314.db2.gz RIQPVIPOZHLRIP-MRVPVSSYSA-N 1 2 246.336 -0.179 20 0 BBADLO CCn1ncc(C[NH2+][C@@H](C)CS(C)(=O)=O)n1 ZINC000527921861 387789485 /nfs/dbraw/zinc/78/94/85/387789485.db2.gz RIQPVIPOZHLRIP-QMMMGPOBSA-N 1 2 246.336 -0.179 20 0 BBADLO COc1ccc[nH+]c1N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000528027233 387831868 /nfs/dbraw/zinc/83/18/68/387831868.db2.gz IOXWBDDFCDZVPJ-OCAPTIKFSA-N 1 2 247.254 -0.201 20 0 BBADLO C[N@H+]1CCO[C@H](CNC(=O)c2cccnn2)C1 ZINC000528312976 387901400 /nfs/dbraw/zinc/90/14/00/387901400.db2.gz CBAFQTYTRXPVMV-SECBINFHSA-N 1 2 236.275 -0.463 20 0 BBADLO C[N@@H+]1CCO[C@H](CNC(=O)c2cccnn2)C1 ZINC000528312976 387901394 /nfs/dbraw/zinc/90/13/94/387901394.db2.gz CBAFQTYTRXPVMV-SECBINFHSA-N 1 2 236.275 -0.463 20 0 BBADLO C[N@H+]1CCO[C@@H](CNC(=O)c2cccnn2)C1 ZINC000528312977 387901115 /nfs/dbraw/zinc/90/11/15/387901115.db2.gz CBAFQTYTRXPVMV-VIFPVBQESA-N 1 2 236.275 -0.463 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNC(=O)c2cccnn2)C1 ZINC000528312977 387901110 /nfs/dbraw/zinc/90/11/10/387901110.db2.gz CBAFQTYTRXPVMV-VIFPVBQESA-N 1 2 236.275 -0.463 20 0 BBADLO O=C1C[N@@H+](C[C@H](O)CC2(O)CCC2)CCN1 ZINC000528336985 387895719 /nfs/dbraw/zinc/89/57/19/387895719.db2.gz IQWVDCDZFFJBIT-SECBINFHSA-N 1 2 228.292 -0.916 20 0 BBADLO O=C1C[N@H+](C[C@H](O)CC2(O)CCC2)CCN1 ZINC000528336985 387895717 /nfs/dbraw/zinc/89/57/17/387895717.db2.gz IQWVDCDZFFJBIT-SECBINFHSA-N 1 2 228.292 -0.916 20 0 BBADLO O=C1C[N@@H+](C[C@@H](O)CC2(O)CCC2)CCN1 ZINC000528336986 387894881 /nfs/dbraw/zinc/89/48/81/387894881.db2.gz IQWVDCDZFFJBIT-VIFPVBQESA-N 1 2 228.292 -0.916 20 0 BBADLO O=C1C[N@H+](C[C@@H](O)CC2(O)CCC2)CCN1 ZINC000528336986 387894875 /nfs/dbraw/zinc/89/48/75/387894875.db2.gz IQWVDCDZFFJBIT-VIFPVBQESA-N 1 2 228.292 -0.916 20 0 BBADLO Cc1cnccc1C[NH+]1CCN(CC(N)=O)CC1 ZINC000528346683 323799895 /nfs/dbraw/zinc/79/98/95/323799895.db2.gz ZLRXYFPFNZGWCO-UHFFFAOYSA-N 1 2 248.330 -0.007 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)CC1(O)CCC1 ZINC000528365955 262919405 /nfs/dbraw/zinc/91/94/05/262919405.db2.gz DVYQHNOKTKNCQJ-NXEZZACHSA-N 1 2 242.319 -0.527 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)CC1(O)CCC1 ZINC000528365955 262919404 /nfs/dbraw/zinc/91/94/04/262919404.db2.gz DVYQHNOKTKNCQJ-NXEZZACHSA-N 1 2 242.319 -0.527 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)CC1(O)CCC1 ZINC000528365960 388450444 /nfs/dbraw/zinc/45/04/44/388450444.db2.gz DVYQHNOKTKNCQJ-UWVGGRQHSA-N 1 2 242.319 -0.527 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)CC1(O)CCC1 ZINC000528365960 388450441 /nfs/dbraw/zinc/45/04/41/388450441.db2.gz DVYQHNOKTKNCQJ-UWVGGRQHSA-N 1 2 242.319 -0.527 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)CC1(O)CCC1 ZINC000528365963 388450659 /nfs/dbraw/zinc/45/06/59/388450659.db2.gz DVYQHNOKTKNCQJ-VHSXEESVSA-N 1 2 242.319 -0.527 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1C[C@H](O)CC1(O)CCC1 ZINC000528365963 388450658 /nfs/dbraw/zinc/45/06/58/388450658.db2.gz DVYQHNOKTKNCQJ-VHSXEESVSA-N 1 2 242.319 -0.527 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)CC1(O)CCC1 ZINC000528365965 388450980 /nfs/dbraw/zinc/45/09/80/388450980.db2.gz DVYQHNOKTKNCQJ-ZJUUUORDSA-N 1 2 242.319 -0.527 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)CC1(O)CCC1 ZINC000528365965 388450979 /nfs/dbraw/zinc/45/09/79/388450979.db2.gz DVYQHNOKTKNCQJ-ZJUUUORDSA-N 1 2 242.319 -0.527 20 0 BBADLO O=S1CC[NH+](C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528380097 262943266 /nfs/dbraw/zinc/94/32/66/262943266.db2.gz OHWRDDZGTVSIJH-JTQLQIEISA-N 1 2 247.360 -0.283 20 0 BBADLO O=S1CC[NH+](C[C@H](O)CC2(O)CCC2)CC1 ZINC000528380110 388518612 /nfs/dbraw/zinc/51/86/12/388518612.db2.gz OHWRDDZGTVSIJH-SNVBAGLBSA-N 1 2 247.360 -0.283 20 0 BBADLO CN1CC[N@@H+](C[C@@H](O)CC2(O)CCC2)CC1=O ZINC000528387159 388518877 /nfs/dbraw/zinc/51/88/77/388518877.db2.gz LRJHWIKUTOUWRA-JTQLQIEISA-N 1 2 242.319 -0.574 20 0 BBADLO CN1CC[N@H+](C[C@@H](O)CC2(O)CCC2)CC1=O ZINC000528387159 388518875 /nfs/dbraw/zinc/51/88/75/388518875.db2.gz LRJHWIKUTOUWRA-JTQLQIEISA-N 1 2 242.319 -0.574 20 0 BBADLO CN1CC[N@@H+](C[C@H](O)CC2(O)CCC2)CC1=O ZINC000528387164 262943835 /nfs/dbraw/zinc/94/38/35/262943835.db2.gz LRJHWIKUTOUWRA-SNVBAGLBSA-N 1 2 242.319 -0.574 20 0 BBADLO CN1CC[N@H+](C[C@H](O)CC2(O)CCC2)CC1=O ZINC000528387164 262943834 /nfs/dbraw/zinc/94/38/34/262943834.db2.gz LRJHWIKUTOUWRA-SNVBAGLBSA-N 1 2 242.319 -0.574 20 0 BBADLO OC[C@@H]1COCC[N@H+]1C[C@H](O)CC1(O)CCC1 ZINC000528473191 388531137 /nfs/dbraw/zinc/53/11/37/388531137.db2.gz DMRJSMZSHPRSSQ-GHMZBOCLSA-N 1 2 245.319 -0.655 20 0 BBADLO OC[C@@H]1COCC[N@@H+]1C[C@H](O)CC1(O)CCC1 ZINC000528473191 388531135 /nfs/dbraw/zinc/53/11/35/388531135.db2.gz DMRJSMZSHPRSSQ-GHMZBOCLSA-N 1 2 245.319 -0.655 20 0 BBADLO OC[C@@H]1COCC[N@H+]1C[C@@H](O)CC1(O)CCC1 ZINC000528473195 388531473 /nfs/dbraw/zinc/53/14/73/388531473.db2.gz DMRJSMZSHPRSSQ-MNOVXSKESA-N 1 2 245.319 -0.655 20 0 BBADLO OC[C@@H]1COCC[N@@H+]1C[C@@H](O)CC1(O)CCC1 ZINC000528473195 388531472 /nfs/dbraw/zinc/53/14/72/388531472.db2.gz DMRJSMZSHPRSSQ-MNOVXSKESA-N 1 2 245.319 -0.655 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@H](O)CC2(O)CCC2)CC(=O)N1 ZINC000528520052 388515864 /nfs/dbraw/zinc/51/58/64/388515864.db2.gz OKPLBWOXLLNJGW-NXEZZACHSA-N 1 2 242.319 -0.527 20 0 BBADLO C[C@@H]1C[N@H+](C[C@H](O)CC2(O)CCC2)CC(=O)N1 ZINC000528520052 388515862 /nfs/dbraw/zinc/51/58/62/388515862.db2.gz OKPLBWOXLLNJGW-NXEZZACHSA-N 1 2 242.319 -0.527 20 0 BBADLO C[C@H]1C[N@@H+](C[C@@H](O)CC2(O)CCC2)CC(=O)N1 ZINC000528520055 388516059 /nfs/dbraw/zinc/51/60/59/388516059.db2.gz OKPLBWOXLLNJGW-UWVGGRQHSA-N 1 2 242.319 -0.527 20 0 BBADLO C[C@H]1C[N@H+](C[C@@H](O)CC2(O)CCC2)CC(=O)N1 ZINC000528520055 388516056 /nfs/dbraw/zinc/51/60/56/388516056.db2.gz OKPLBWOXLLNJGW-UWVGGRQHSA-N 1 2 242.319 -0.527 20 0 BBADLO C[C@H]1C[N@@H+](C[C@H](O)CC2(O)CCC2)CC(=O)N1 ZINC000528520057 388516115 /nfs/dbraw/zinc/51/61/15/388516115.db2.gz OKPLBWOXLLNJGW-VHSXEESVSA-N 1 2 242.319 -0.527 20 0 BBADLO C[C@H]1C[N@H+](C[C@H](O)CC2(O)CCC2)CC(=O)N1 ZINC000528520057 388516114 /nfs/dbraw/zinc/51/61/14/388516114.db2.gz OKPLBWOXLLNJGW-VHSXEESVSA-N 1 2 242.319 -0.527 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@@H](O)CC2(O)CCC2)CC(=O)N1 ZINC000528520059 388516731 /nfs/dbraw/zinc/51/67/31/388516731.db2.gz OKPLBWOXLLNJGW-ZJUUUORDSA-N 1 2 242.319 -0.527 20 0 BBADLO C[C@@H]1C[N@H+](C[C@@H](O)CC2(O)CCC2)CC(=O)N1 ZINC000528520059 388516728 /nfs/dbraw/zinc/51/67/28/388516728.db2.gz OKPLBWOXLLNJGW-ZJUUUORDSA-N 1 2 242.319 -0.527 20 0 BBADLO CNC(=O)NC[C@H]1C[N@@H+](CCC(C)=O)CCO1 ZINC000528624397 388552606 /nfs/dbraw/zinc/55/26/06/388552606.db2.gz JJMWOQZKGIYHAK-JTQLQIEISA-N 1 2 243.307 -0.405 20 0 BBADLO CNC(=O)NC[C@H]1C[N@H+](CCC(C)=O)CCO1 ZINC000528624397 388552605 /nfs/dbraw/zinc/55/26/05/388552605.db2.gz JJMWOQZKGIYHAK-JTQLQIEISA-N 1 2 243.307 -0.405 20 0 BBADLO CNC(=O)NC[C@@H]1C[N@@H+](CCC(C)=O)CCO1 ZINC000528624410 388552142 /nfs/dbraw/zinc/55/21/42/388552142.db2.gz JJMWOQZKGIYHAK-SNVBAGLBSA-N 1 2 243.307 -0.405 20 0 BBADLO CNC(=O)NC[C@@H]1C[N@H+](CCC(C)=O)CCO1 ZINC000528624410 388552139 /nfs/dbraw/zinc/55/21/39/388552139.db2.gz JJMWOQZKGIYHAK-SNVBAGLBSA-N 1 2 243.307 -0.405 20 0 BBADLO CCOCC[N@H+]1CCO[C@@H](CNC(=O)NC)C1 ZINC000528628348 388553435 /nfs/dbraw/zinc/55/34/35/388553435.db2.gz KQZSSZIRTSHQLP-JTQLQIEISA-N 1 2 245.323 -0.347 20 0 BBADLO CCOCC[N@@H+]1CCO[C@@H](CNC(=O)NC)C1 ZINC000528628348 388553432 /nfs/dbraw/zinc/55/34/32/388553432.db2.gz KQZSSZIRTSHQLP-JTQLQIEISA-N 1 2 245.323 -0.347 20 0 BBADLO CCOCC[N@H+]1CCO[C@H](CNC(=O)NC)C1 ZINC000528628350 388553228 /nfs/dbraw/zinc/55/32/28/388553228.db2.gz KQZSSZIRTSHQLP-SNVBAGLBSA-N 1 2 245.323 -0.347 20 0 BBADLO CCOCC[N@@H+]1CCO[C@H](CNC(=O)NC)C1 ZINC000528628350 388553225 /nfs/dbraw/zinc/55/32/25/388553225.db2.gz KQZSSZIRTSHQLP-SNVBAGLBSA-N 1 2 245.323 -0.347 20 0 BBADLO CNC(=O)NC[C@@H]1C[N@@H+](CCOC)CCO1 ZINC000528629705 388553059 /nfs/dbraw/zinc/55/30/59/388553059.db2.gz OLIHKMDPLPWTDQ-SECBINFHSA-N 1 2 231.296 -0.737 20 0 BBADLO CNC(=O)NC[C@@H]1C[N@H+](CCOC)CCO1 ZINC000528629705 388553056 /nfs/dbraw/zinc/55/30/56/388553056.db2.gz OLIHKMDPLPWTDQ-SECBINFHSA-N 1 2 231.296 -0.737 20 0 BBADLO CNC(=O)NC[C@H]1C[N@@H+](CCOC)CCO1 ZINC000528629706 388553954 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388560464 /nfs/dbraw/zinc/56/04/64/388560464.db2.gz ABSIFAIZWWNXCV-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO CCOC[C@H]1C[N@@H+]([C@H]2CCN(C)C2=O)CCO1 ZINC000528715930 388560460 /nfs/dbraw/zinc/56/04/60/388560460.db2.gz ABSIFAIZWWNXCV-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO CCOC[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)CCO1 ZINC000528715931 388560257 /nfs/dbraw/zinc/56/02/57/388560257.db2.gz ABSIFAIZWWNXCV-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO CCOC[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)CCO1 ZINC000528715931 388560256 /nfs/dbraw/zinc/56/02/56/388560256.db2.gz ABSIFAIZWWNXCV-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO CCOC[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)CCO1 ZINC000528715932 388560656 /nfs/dbraw/zinc/56/06/56/388560656.db2.gz ABSIFAIZWWNXCV-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO CCOC[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)CCO1 ZINC000528715932 388560653 /nfs/dbraw/zinc/56/06/53/388560653.db2.gz ABSIFAIZWWNXCV-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO CCOC[C@H]1C[N@@H+](CC(=O)N2CCC2)CCO1 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ZINC000528721729 388562273 /nfs/dbraw/zinc/56/22/73/388562273.db2.gz QUUVMMFRMJZXKU-DTWKUNHWSA-N 1 2 216.281 -0.403 20 0 BBADLO CCOC[C@H]1C[N@@H+]([C@@H](C)C(N)=O)CCO1 ZINC000528721729 388562270 /nfs/dbraw/zinc/56/22/70/388562270.db2.gz QUUVMMFRMJZXKU-DTWKUNHWSA-N 1 2 216.281 -0.403 20 0 BBADLO CCOC[C@@H]1C[N@H+]([C@@H](C)C(N)=O)CCO1 ZINC000528721731 388561839 /nfs/dbraw/zinc/56/18/39/388561839.db2.gz QUUVMMFRMJZXKU-IUCAKERBSA-N 1 2 216.281 -0.403 20 0 BBADLO CCOC[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)CCO1 ZINC000528721731 388561835 /nfs/dbraw/zinc/56/18/35/388561835.db2.gz QUUVMMFRMJZXKU-IUCAKERBSA-N 1 2 216.281 -0.403 20 0 BBADLO CCOC[C@H]1C[N@H+]([C@H](C)C(N)=O)CCO1 ZINC000528721733 388562499 /nfs/dbraw/zinc/56/24/99/388562499.db2.gz QUUVMMFRMJZXKU-RKDXNWHRSA-N 1 2 216.281 -0.403 20 0 BBADLO CCOC[C@H]1C[N@@H+]([C@H](C)C(N)=O)CCO1 ZINC000528721733 388562496 /nfs/dbraw/zinc/56/24/96/388562496.db2.gz QUUVMMFRMJZXKU-RKDXNWHRSA-N 1 2 216.281 -0.403 20 0 BBADLO 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CCOC[C@@H]1C[N@H+]([C@H]2CCNC2=O)CCO1 ZINC000528722912 388561596 /nfs/dbraw/zinc/56/15/96/388561596.db2.gz PKOCHPKCHPAQPN-UWVGGRQHSA-N 1 2 228.292 -0.388 20 0 BBADLO CCOC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CCO1 ZINC000528722912 388561593 /nfs/dbraw/zinc/56/15/93/388561593.db2.gz PKOCHPKCHPAQPN-UWVGGRQHSA-N 1 2 228.292 -0.388 20 0 BBADLO CCOC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CCO1 ZINC000528722913 388561685 /nfs/dbraw/zinc/56/16/85/388561685.db2.gz PKOCHPKCHPAQPN-VHSXEESVSA-N 1 2 228.292 -0.388 20 0 BBADLO CCOC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CCO1 ZINC000528722913 388561684 /nfs/dbraw/zinc/56/16/84/388561684.db2.gz PKOCHPKCHPAQPN-VHSXEESVSA-N 1 2 228.292 -0.388 20 0 BBADLO CCOC[C@H]1C[N@H+]([C@H]2CCNC2=O)CCO1 ZINC000528722914 388562506 /nfs/dbraw/zinc/56/25/06/388562506.db2.gz PKOCHPKCHPAQPN-ZJUUUORDSA-N 1 2 228.292 -0.388 20 0 BBADLO CCOC[C@H]1C[N@@H+]([C@H]2CCNC2=O)CCO1 ZINC000528722914 388562503 /nfs/dbraw/zinc/56/25/03/388562503.db2.gz PKOCHPKCHPAQPN-ZJUUUORDSA-N 1 2 228.292 -0.388 20 0 BBADLO 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236.275 -0.463 20 0 BBADLO CCOC[C@@H]1C[N@@H+](Cn2cnnc2)CCO1 ZINC000530106402 388609065 /nfs/dbraw/zinc/60/90/65/388609065.db2.gz MQFWNUVKYMJDIN-JTQLQIEISA-N 1 2 226.280 -0.027 20 0 BBADLO CCOC[C@@H]1C[N@H+](Cn2cnnc2)CCO1 ZINC000530106402 388609064 /nfs/dbraw/zinc/60/90/64/388609064.db2.gz MQFWNUVKYMJDIN-JTQLQIEISA-N 1 2 226.280 -0.027 20 0 BBADLO CCOC[C@H]1C[N@@H+](Cn2cnnc2)CCO1 ZINC000530106404 388608390 /nfs/dbraw/zinc/60/83/90/388608390.db2.gz MQFWNUVKYMJDIN-SNVBAGLBSA-N 1 2 226.280 -0.027 20 0 BBADLO CCOC[C@H]1C[N@H+](Cn2cnnc2)CCO1 ZINC000530106404 388608388 /nfs/dbraw/zinc/60/83/88/388608388.db2.gz MQFWNUVKYMJDIN-SNVBAGLBSA-N 1 2 226.280 -0.027 20 0 BBADLO CC(C)(C(=O)NCC1COC1)[NH+]1CCOCC1 ZINC000530119433 324481420 /nfs/dbraw/zinc/48/14/20/324481420.db2.gz WBWUFANGCKQPPG-UHFFFAOYSA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@H+]1CCO[C@H](CNC(=O)c2nncs2)C1 ZINC000530185344 388623745 /nfs/dbraw/zinc/62/37/45/388623745.db2.gz SNUMWOFLPKYACF-SSDOTTSWSA-N 1 2 242.304 -0.402 20 0 BBADLO C[N@@H+]1CCO[C@H](CNC(=O)c2nncs2)C1 ZINC000530185344 388623743 /nfs/dbraw/zinc/62/37/43/388623743.db2.gz SNUMWOFLPKYACF-SSDOTTSWSA-N 1 2 242.304 -0.402 20 0 BBADLO C[N@H+]1CCO[C@@H](CNC(=O)c2nncs2)C1 ZINC000530185348 388624226 /nfs/dbraw/zinc/62/42/26/388624226.db2.gz SNUMWOFLPKYACF-ZETCQYMHSA-N 1 2 242.304 -0.402 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNC(=O)c2nncs2)C1 ZINC000530185348 388624223 /nfs/dbraw/zinc/62/42/23/388624223.db2.gz SNUMWOFLPKYACF-ZETCQYMHSA-N 1 2 242.304 -0.402 20 0 BBADLO O=C(NCC[NH+]1CCC1)c1nncs1 ZINC000530186093 324498578 /nfs/dbraw/zinc/49/85/78/324498578.db2.gz IGSXVJJWNABXDD-UHFFFAOYSA-N 1 2 212.278 -0.026 20 0 BBADLO Cc1c[nH]nc1C[NH2+]C[C@@H]1COCCN1 ZINC000530246099 388639050 /nfs/dbraw/zinc/63/90/50/388639050.db2.gz BQIGSGQTUCLBOT-SECBINFHSA-N 1 2 210.281 -0.204 20 0 BBADLO Cc1c[nH]nc1C[NH2+]C[C@H]1COCCN1 ZINC000530246100 388638674 /nfs/dbraw/zinc/63/86/74/388638674.db2.gz BQIGSGQTUCLBOT-VIFPVBQESA-N 1 2 210.281 -0.204 20 0 BBADLO C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H](CO)O1 ZINC000530340149 388650086 /nfs/dbraw/zinc/65/00/86/388650086.db2.gz BAJJJALOLFDXTK-GMTAPVOTSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H](CO)O1 ZINC000530340149 388650084 /nfs/dbraw/zinc/65/00/84/388650084.db2.gz BAJJJALOLFDXTK-GMTAPVOTSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H](CO)O1 ZINC000530340150 388650734 /nfs/dbraw/zinc/65/07/34/388650734.db2.gz BAJJJALOLFDXTK-MXWKQRLJSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H](CO)O1 ZINC000530340150 388650732 /nfs/dbraw/zinc/65/07/32/388650732.db2.gz BAJJJALOLFDXTK-MXWKQRLJSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@@H](CO)O1 ZINC000530340151 388650036 /nfs/dbraw/zinc/65/00/36/388650036.db2.gz BAJJJALOLFDXTK-OUAUKWLOSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@@H](CO)O1 ZINC000530340151 388650033 /nfs/dbraw/zinc/65/00/33/388650033.db2.gz BAJJJALOLFDXTK-OUAUKWLOSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@@H](CO)O1 ZINC000530340152 388650058 /nfs/dbraw/zinc/65/00/58/388650058.db2.gz BAJJJALOLFDXTK-VWYCJHECSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@@H](CO)O1 ZINC000530340152 388650056 /nfs/dbraw/zinc/65/00/56/388650056.db2.gz BAJJJALOLFDXTK-VWYCJHECSA-N 1 2 242.319 -0.311 20 0 BBADLO Cn1cnnc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000530343007 388651259 /nfs/dbraw/zinc/65/12/59/388651259.db2.gz KQQRDIUDJQOQRS-ATZCPNFKSA-N 1 2 249.318 -0.099 20 0 BBADLO Cn1cnnc1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000530343007 388651257 /nfs/dbraw/zinc/65/12/57/388651257.db2.gz KQQRDIUDJQOQRS-ATZCPNFKSA-N 1 2 249.318 -0.099 20 0 BBADLO Cn1cnnc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000530343008 388650895 /nfs/dbraw/zinc/65/08/95/388650895.db2.gz KQQRDIUDJQOQRS-IQJOONFLSA-N 1 2 249.318 -0.099 20 0 BBADLO Cn1cnnc1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000530343008 388650892 /nfs/dbraw/zinc/65/08/92/388650892.db2.gz KQQRDIUDJQOQRS-IQJOONFLSA-N 1 2 249.318 -0.099 20 0 BBADLO Cn1cnnc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000530343009 388650487 /nfs/dbraw/zinc/65/04/87/388650487.db2.gz KQQRDIUDJQOQRS-NGZCFLSTSA-N 1 2 249.318 -0.099 20 0 BBADLO Cn1cnnc1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000530343009 388650486 /nfs/dbraw/zinc/65/04/86/388650486.db2.gz KQQRDIUDJQOQRS-NGZCFLSTSA-N 1 2 249.318 -0.099 20 0 BBADLO Cn1cnnc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000530343010 388650403 /nfs/dbraw/zinc/65/04/03/388650403.db2.gz KQQRDIUDJQOQRS-QXEWZRGKSA-N 1 2 249.318 -0.099 20 0 BBADLO Cn1cnnc1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000530343010 388650402 /nfs/dbraw/zinc/65/04/02/388650402.db2.gz KQQRDIUDJQOQRS-QXEWZRGKSA-N 1 2 249.318 -0.099 20 0 BBADLO C[C@](O)(CO)CNc1nc(N)c2ccccc2[nH+]1 ZINC000530377445 411931539 /nfs/dbraw/zinc/93/15/39/411931539.db2.gz QNXWDVKYBLWBPS-GFCCVEGCSA-N 1 2 248.286 -0.211 20 0 BBADLO C[C@@](O)(CO)CNc1nc(N)c2ccccc2[nH+]1 ZINC000530377446 411916855 /nfs/dbraw/zinc/91/68/55/411916855.db2.gz QNXWDVKYBLWBPS-LBPRGKRZSA-N 1 2 248.286 -0.211 20 0 BBADLO Cn1cnn(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1=O ZINC000530400482 388654040 /nfs/dbraw/zinc/65/40/40/388654040.db2.gz RRQNQIYNYLKHHY-AOOOYVTPSA-N 1 2 238.291 -0.555 20 0 BBADLO Cn1cnn(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1=O ZINC000530400482 388654038 /nfs/dbraw/zinc/65/40/38/388654038.db2.gz RRQNQIYNYLKHHY-AOOOYVTPSA-N 1 2 238.291 -0.555 20 0 BBADLO C[C@@H]1C[C@@H](O)CN1C(=O)Cc1c[nH+]cn1C ZINC000530416444 323385776 /nfs/dbraw/zinc/38/57/76/323385776.db2.gz PQEQZPHSYMWBDT-PSASIEDQSA-N 1 2 223.276 -0.056 20 0 BBADLO C[C@@H]1C[C@H](O)CN1C(=O)Cc1c[nH+]cn1C ZINC000530416445 323385893 /nfs/dbraw/zinc/38/58/93/323385893.db2.gz PQEQZPHSYMWBDT-SCZZXKLOSA-N 1 2 223.276 -0.056 20 0 BBADLO C[C@H]1C[C@@H](O)CN1C(=O)Cc1c[nH+]cn1C ZINC000530416446 323385770 /nfs/dbraw/zinc/38/57/70/323385770.db2.gz PQEQZPHSYMWBDT-WCBMZHEXSA-N 1 2 223.276 -0.056 20 0 BBADLO C[C@H]1C[C@H](O)CN1C(=O)Cc1c[nH+]cn1C ZINC000530416447 323385974 /nfs/dbraw/zinc/38/59/74/323385974.db2.gz PQEQZPHSYMWBDT-WPRPVWTQSA-N 1 2 223.276 -0.056 20 0 BBADLO CC(C)OCC[C@@H](O)C[N@H+]1CCN(C)C(=O)C1 ZINC000530465797 384088343 /nfs/dbraw/zinc/08/83/43/384088343.db2.gz JBOZRKUOMCJKFF-LLVKDONJSA-N 1 2 244.335 -0.064 20 0 BBADLO CC(C)OCC[C@@H](O)C[N@@H+]1CCN(C)C(=O)C1 ZINC000530465797 384088336 /nfs/dbraw/zinc/08/83/36/384088336.db2.gz JBOZRKUOMCJKFF-LLVKDONJSA-N 1 2 244.335 -0.064 20 0 BBADLO CC(C)OCC[C@H](O)C[N@H+]1CCN(C)C(=O)C1 ZINC000530465798 384088710 /nfs/dbraw/zinc/08/87/10/384088710.db2.gz JBOZRKUOMCJKFF-NSHDSACASA-N 1 2 244.335 -0.064 20 0 BBADLO CC(C)OCC[C@H](O)C[N@@H+]1CCN(C)C(=O)C1 ZINC000530465798 384088707 /nfs/dbraw/zinc/08/87/07/384088707.db2.gz JBOZRKUOMCJKFF-NSHDSACASA-N 1 2 244.335 -0.064 20 0 BBADLO CCn1cc[nH+]c1CN[C@@H](C(=O)OC)[C@@H](C)O ZINC000530494611 384153519 /nfs/dbraw/zinc/15/35/19/384153519.db2.gz CUUXWFKJBZYKJN-PSASIEDQSA-N 1 2 241.291 -0.085 20 0 BBADLO CCn1cc[nH+]c1CN[C@H](C(=O)OC)[C@@H](C)O ZINC000530494612 322815722 /nfs/dbraw/zinc/81/57/22/322815722.db2.gz CUUXWFKJBZYKJN-SCZZXKLOSA-N 1 2 241.291 -0.085 20 0 BBADLO CCn1cc[nH+]c1CN[C@@H](C(=O)OC)[C@H](C)O ZINC000530494613 384152566 /nfs/dbraw/zinc/15/25/66/384152566.db2.gz CUUXWFKJBZYKJN-WCBMZHEXSA-N 1 2 241.291 -0.085 20 0 BBADLO CCn1cc[nH+]c1CN[C@H](C(=O)OC)[C@H](C)O ZINC000530494614 322815818 /nfs/dbraw/zinc/81/58/18/322815818.db2.gz CUUXWFKJBZYKJN-WPRPVWTQSA-N 1 2 241.291 -0.085 20 0 BBADLO COC[C@@](C)(O)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000530782061 322893816 /nfs/dbraw/zinc/89/38/16/322893816.db2.gz FWIBWJKJYWJILF-LLVKDONJSA-N 1 2 239.275 -0.336 20 0 BBADLO COC[C@](C)(O)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000530782082 385053526 /nfs/dbraw/zinc/05/35/26/385053526.db2.gz FWIBWJKJYWJILF-NSHDSACASA-N 1 2 239.275 -0.336 20 0 BBADLO NC(=O)C1(C(=O)NCCn2cc[nH+]c2)CCC1 ZINC000530871922 385123979 /nfs/dbraw/zinc/12/39/79/385123979.db2.gz QJOALXJFSNUJNL-UHFFFAOYSA-N 1 2 236.275 -0.345 20 0 BBADLO Cn1cc[nH+]c1CNc1nccn2nnnc12 ZINC000530907394 487677959 /nfs/dbraw/zinc/67/79/59/487677959.db2.gz JPWAMMURFAZJNB-UHFFFAOYSA-N 1 2 230.235 -0.135 20 0 BBADLO CS(=O)(=O)N1CC(=O)Nc2c[nH+]ccc21 ZINC000530973810 384576738 /nfs/dbraw/zinc/57/67/38/384576738.db2.gz XOATZIAZWXMLEX-UHFFFAOYSA-N 1 2 227.245 -0.200 20 0 BBADLO COC[C@](C)(O)C(=O)N1CC[NH+](C)CC1 ZINC000531020562 322973248 /nfs/dbraw/zinc/97/32/48/322973248.db2.gz DVPOLPYUQSHZDD-JTQLQIEISA-N 1 2 216.281 -0.842 20 0 BBADLO COC[C@@](C)(O)C(=O)N1CC[NH+](C)CC1 ZINC000531020569 384667199 /nfs/dbraw/zinc/66/71/99/384667199.db2.gz DVPOLPYUQSHZDD-SNVBAGLBSA-N 1 2 216.281 -0.842 20 0 BBADLO COC[C@](C)(O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000531020859 384667066 /nfs/dbraw/zinc/66/70/66/384667066.db2.gz BXTLXTAOHRSTBT-JTQLQIEISA-N 1 2 227.264 -0.235 20 0 BBADLO COC[C@@](C)(O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000531020865 384667245 /nfs/dbraw/zinc/66/72/45/384667245.db2.gz BXTLXTAOHRSTBT-SNVBAGLBSA-N 1 2 227.264 -0.235 20 0 BBADLO COC[C@@](C)(O)C(=O)NCCCn1cc[nH+]c1 ZINC000531021300 384663741 /nfs/dbraw/zinc/66/37/41/384663741.db2.gz GDHPFVFQXDCDPN-LLVKDONJSA-N 1 2 241.291 -0.213 20 0 BBADLO COC[C@](C)(O)C(=O)NCCCn1cc[nH+]c1 ZINC000531021302 322973087 /nfs/dbraw/zinc/97/30/87/322973087.db2.gz GDHPFVFQXDCDPN-NSHDSACASA-N 1 2 241.291 -0.213 20 0 BBADLO c1cn2nnnc2c(NCC[NH+]2CCOCC2)n1 ZINC000531111003 322982360 /nfs/dbraw/zinc/98/23/60/322982360.db2.gz UUPMGOGDJUWIJE-UHFFFAOYSA-N 1 2 249.278 -0.737 20 0 BBADLO COC[C@@](C)(O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000531118813 384651504 /nfs/dbraw/zinc/65/15/04/384651504.db2.gz HCWOUAXXAPFEEU-JTQLQIEISA-N 1 2 227.264 -0.155 20 0 BBADLO COC[C@](C)(O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000531118816 322999624 /nfs/dbraw/zinc/99/96/24/322999624.db2.gz HCWOUAXXAPFEEU-SNVBAGLBSA-N 1 2 227.264 -0.155 20 0 BBADLO c1cn(CCNc2nccn3nnnc23)c[nH+]1 ZINC000531141610 323065308 /nfs/dbraw/zinc/06/53/08/323065308.db2.gz SUWNVTJAWYDCBG-UHFFFAOYSA-N 1 2 230.235 -0.172 20 0 BBADLO CCOC(=O)[C@H]1CSCC[N@H+]1CCO ZINC000531255192 397958236 /nfs/dbraw/zinc/95/82/36/397958236.db2.gz OJQJVTSYDYQXCB-MRVPVSSYSA-N 1 2 219.306 -0.041 20 0 BBADLO CCOC(=O)[C@H]1CSCC[N@@H+]1CCO ZINC000531255192 397958233 /nfs/dbraw/zinc/95/82/33/397958233.db2.gz OJQJVTSYDYQXCB-MRVPVSSYSA-N 1 2 219.306 -0.041 20 0 BBADLO CCOC(=O)[C@@H]1CSCC[N@H+]1CCO ZINC000531255199 397958278 /nfs/dbraw/zinc/95/82/78/397958278.db2.gz OJQJVTSYDYQXCB-QMMMGPOBSA-N 1 2 219.306 -0.041 20 0 BBADLO CCOC(=O)[C@@H]1CSCC[N@@H+]1CCO ZINC000531255199 397958276 /nfs/dbraw/zinc/95/82/76/397958276.db2.gz OJQJVTSYDYQXCB-QMMMGPOBSA-N 1 2 219.306 -0.041 20 0 BBADLO COC[C@@](C)(O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000531258973 323086617 /nfs/dbraw/zinc/08/66/17/323086617.db2.gz JVDLSBDTUBWOBU-GXSJLCMTSA-N 1 2 241.291 -0.215 20 0 BBADLO COC[C@](C)(O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000531258974 323086630 /nfs/dbraw/zinc/08/66/30/323086630.db2.gz JVDLSBDTUBWOBU-KOLCDFICSA-N 1 2 241.291 -0.215 20 0 BBADLO COC[C@@](C)(O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000531258975 323086584 /nfs/dbraw/zinc/08/65/84/323086584.db2.gz JVDLSBDTUBWOBU-MWLCHTKSSA-N 1 2 241.291 -0.215 20 0 BBADLO COC[C@](C)(O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000531258976 323086560 /nfs/dbraw/zinc/08/65/60/323086560.db2.gz JVDLSBDTUBWOBU-ONGXEEELSA-N 1 2 241.291 -0.215 20 0 BBADLO NC(=O)C1(C(=O)N2CC(n3cc[nH+]c3)C2)CCC1 ZINC000531352169 323087881 /nfs/dbraw/zinc/08/78/81/323087881.db2.gz NYOJYPATIBBXTB-UHFFFAOYSA-N 1 2 248.286 -0.078 20 0 BBADLO COC[C@](C)(O)C(=O)NCCn1cc[nH+]c1 ZINC000531498293 323098870 /nfs/dbraw/zinc/09/88/70/323098870.db2.gz GGQWDXLXVZISRU-JTQLQIEISA-N 1 2 227.264 -0.603 20 0 BBADLO COC[C@@](C)(O)C(=O)NCCn1cc[nH+]c1 ZINC000531498294 323098821 /nfs/dbraw/zinc/09/88/21/323098821.db2.gz GGQWDXLXVZISRU-SNVBAGLBSA-N 1 2 227.264 -0.603 20 0 BBADLO O=C(NCc1[nH]cc[nH+]1)c1ccc2nnnn2c1 ZINC000531556637 323109960 /nfs/dbraw/zinc/10/99/60/323109960.db2.gz WVDZRKUCVNJVJS-UHFFFAOYSA-N 1 2 243.230 -0.223 20 0 BBADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCCCF)C1 ZINC000531753397 323112509 /nfs/dbraw/zinc/11/25/09/323112509.db2.gz QFMURBHQBPXYQA-JTQLQIEISA-N 1 2 246.330 -0.109 20 0 BBADLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCCCF)C1 ZINC000531753397 323112508 /nfs/dbraw/zinc/11/25/08/323112508.db2.gz QFMURBHQBPXYQA-JTQLQIEISA-N 1 2 246.330 -0.109 20 0 BBADLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCCCF)C1 ZINC000531753398 323112430 /nfs/dbraw/zinc/11/24/30/323112430.db2.gz QFMURBHQBPXYQA-SNVBAGLBSA-N 1 2 246.330 -0.109 20 0 BBADLO CN1CC[N@H+](C)[C@H](CNC(=O)NCCCF)C1 ZINC000531753398 323112429 /nfs/dbraw/zinc/11/24/29/323112429.db2.gz QFMURBHQBPXYQA-SNVBAGLBSA-N 1 2 246.330 -0.109 20 0 BBADLO C[NH+]1CCN(C(=O)c2ccc3nnnn3c2)CC1 ZINC000531808688 323113934 /nfs/dbraw/zinc/11/39/34/323113934.db2.gz CETPCPQPYQIXST-UHFFFAOYSA-N 1 2 246.274 -0.488 20 0 BBADLO COCC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000531981866 323162829 /nfs/dbraw/zinc/16/28/29/323162829.db2.gz FFNFTEIWTSXQSZ-SECBINFHSA-N 1 2 228.292 -0.388 20 0 BBADLO COCC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000531981866 323162828 /nfs/dbraw/zinc/16/28/28/323162828.db2.gz FFNFTEIWTSXQSZ-SECBINFHSA-N 1 2 228.292 -0.388 20 0 BBADLO COCC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000531981867 323162910 /nfs/dbraw/zinc/16/29/10/323162910.db2.gz FFNFTEIWTSXQSZ-VIFPVBQESA-N 1 2 228.292 -0.388 20 0 BBADLO COCC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000531981867 323162909 /nfs/dbraw/zinc/16/29/09/323162909.db2.gz FFNFTEIWTSXQSZ-VIFPVBQESA-N 1 2 228.292 -0.388 20 0 BBADLO COCC[N@@H+](CC(=O)OC)CC1(CO)COC1 ZINC000532059047 323170846 /nfs/dbraw/zinc/17/08/46/323170846.db2.gz XATHJOGWPDXRJY-UHFFFAOYSA-N 1 2 247.291 -0.883 20 0 BBADLO COCC[N@H+](CC(=O)OC)CC1(CO)COC1 ZINC000532059047 323170845 /nfs/dbraw/zinc/17/08/45/323170845.db2.gz XATHJOGWPDXRJY-UHFFFAOYSA-N 1 2 247.291 -0.883 20 0 BBADLO c1cn(C2CN(c3nccn4nnnc34)C2)c[nH+]1 ZINC000532088348 323173787 /nfs/dbraw/zinc/17/37/87/323173787.db2.gz FNVOTGBTBLHJBL-UHFFFAOYSA-N 1 2 242.246 -0.223 20 0 BBADLO C[NH+]1CCN(C(=O)N[C@@H]2CC[S@](=O)C2)CC1 ZINC000532146531 323207957 /nfs/dbraw/zinc/20/79/57/323207957.db2.gz KPFFZBUHDHHWRZ-ABKXIKBNSA-N 1 2 245.348 -0.536 20 0 BBADLO C[NH+]1CCN(C(=O)N[C@H]2CC[S@](=O)C2)CC1 ZINC000532146536 323207989 /nfs/dbraw/zinc/20/79/89/323207989.db2.gz KPFFZBUHDHHWRZ-FVMDXXJSSA-N 1 2 245.348 -0.536 20 0 BBADLO C[NH+]1CCN(C(=O)N[C@@H]2CC[S@@](=O)C2)CC1 ZINC000532146537 323207858 /nfs/dbraw/zinc/20/78/58/323207858.db2.gz KPFFZBUHDHHWRZ-JDNHERCYSA-N 1 2 245.348 -0.536 20 0 BBADLO C[NH+]1CCN(C(=O)N[C@H]2CC[S@@](=O)C2)CC1 ZINC000532146539 323207900 /nfs/dbraw/zinc/20/79/00/323207900.db2.gz KPFFZBUHDHHWRZ-XXFAHNHDSA-N 1 2 245.348 -0.536 20 0 BBADLO CNC(=O)[C@@H](C)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000532276195 412284862 /nfs/dbraw/zinc/28/48/62/412284862.db2.gz OLWZAHUYLVBLCE-ZCFIWIBFSA-N 1 2 238.295 -0.208 20 0 BBADLO CNC(=O)[C@@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000532276195 412284860 /nfs/dbraw/zinc/28/48/60/412284860.db2.gz OLWZAHUYLVBLCE-ZCFIWIBFSA-N 1 2 238.295 -0.208 20 0 BBADLO C[C@@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000532481185 323270005 /nfs/dbraw/zinc/27/00/05/323270005.db2.gz QHLJAOQSSYXPGF-QMMMGPOBSA-N 1 2 247.258 -0.227 20 0 BBADLO O=C(NCC[NH+]1CCC1)c1cnns1 ZINC000532790630 323298327 /nfs/dbraw/zinc/29/83/27/323298327.db2.gz JJGDCKHKJMSMAY-UHFFFAOYSA-N 1 2 212.278 -0.026 20 0 BBADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccno2)C1 ZINC000532975463 387916073 /nfs/dbraw/zinc/91/60/73/387916073.db2.gz OOEMDZQTFAJVAY-MRVPVSSYSA-N 1 2 245.304 -0.202 20 0 BBADLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccno2)C1 ZINC000532975463 387916071 /nfs/dbraw/zinc/91/60/71/387916071.db2.gz OOEMDZQTFAJVAY-MRVPVSSYSA-N 1 2 245.304 -0.202 20 0 BBADLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccno2)C1 ZINC000532975471 387915429 /nfs/dbraw/zinc/91/54/29/387915429.db2.gz OOEMDZQTFAJVAY-QMMMGPOBSA-N 1 2 245.304 -0.202 20 0 BBADLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccno2)C1 ZINC000532975471 387915424 /nfs/dbraw/zinc/91/54/24/387915424.db2.gz OOEMDZQTFAJVAY-QMMMGPOBSA-N 1 2 245.304 -0.202 20 0 BBADLO COC(C)(C)C[N@@H+](C)Cc1nc(N)nc(N)n1 ZINC000533023470 387920752 /nfs/dbraw/zinc/92/07/52/387920752.db2.gz YZYRDIWVEJFAPN-UHFFFAOYSA-N 1 2 240.311 -0.446 20 0 BBADLO COC(C)(C)C[N@H+](C)Cc1nc(N)nc(N)n1 ZINC000533023470 387920748 /nfs/dbraw/zinc/92/07/48/387920748.db2.gz YZYRDIWVEJFAPN-UHFFFAOYSA-N 1 2 240.311 -0.446 20 0 BBADLO O=C1NC[C@@H]2C[N@@H+](Cc3ccno3)CCN12 ZINC000533026518 387920397 /nfs/dbraw/zinc/92/03/97/387920397.db2.gz ZISIUDAWNLZDMM-MRVPVSSYSA-N 1 2 222.248 -0.116 20 0 BBADLO O=C1NC[C@@H]2C[N@H+](Cc3ccno3)CCN12 ZINC000533026518 387920396 /nfs/dbraw/zinc/92/03/96/387920396.db2.gz ZISIUDAWNLZDMM-MRVPVSSYSA-N 1 2 222.248 -0.116 20 0 BBADLO O=C1NC[C@H]2C[N@@H+](Cc3ccno3)CCN12 ZINC000533026519 387921004 /nfs/dbraw/zinc/92/10/04/387921004.db2.gz ZISIUDAWNLZDMM-QMMMGPOBSA-N 1 2 222.248 -0.116 20 0 BBADLO O=C1NC[C@H]2C[N@H+](Cc3ccno3)CCN12 ZINC000533026519 387921002 /nfs/dbraw/zinc/92/10/02/387921002.db2.gz ZISIUDAWNLZDMM-QMMMGPOBSA-N 1 2 222.248 -0.116 20 0 BBADLO O=S(=O)(Cc1ccon1)NCC[NH+]1CCC1 ZINC000533096680 398179054 /nfs/dbraw/zinc/17/90/54/398179054.db2.gz SSEDCCQKBSOQIA-UHFFFAOYSA-N 1 2 245.304 -0.200 20 0 BBADLO Cc1[nH]c(C(=O)NCCn2ncnn2)c[nH+]1 ZINC000533135272 388007461 /nfs/dbraw/zinc/00/74/61/388007461.db2.gz MRDUJLAYCICXKJ-UHFFFAOYSA-N 1 2 221.224 -0.865 20 0 BBADLO C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)S(C)(=O)=O ZINC000533144228 388007350 /nfs/dbraw/zinc/00/73/50/388007350.db2.gz HNEOEYTZICSMRA-BDAKNGLRSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)S(C)(=O)=O ZINC000533144228 388007347 /nfs/dbraw/zinc/00/73/47/388007347.db2.gz HNEOEYTZICSMRA-BDAKNGLRSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)S(C)(=O)=O ZINC000533144229 388007195 /nfs/dbraw/zinc/00/71/95/388007195.db2.gz HNEOEYTZICSMRA-DTWKUNHWSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)S(C)(=O)=O ZINC000533144229 388007193 /nfs/dbraw/zinc/00/71/93/388007193.db2.gz HNEOEYTZICSMRA-DTWKUNHWSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)S(C)(=O)=O ZINC000533144230 388008282 /nfs/dbraw/zinc/00/82/82/388008282.db2.gz HNEOEYTZICSMRA-IUCAKERBSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)S(C)(=O)=O ZINC000533144230 388008277 /nfs/dbraw/zinc/00/82/77/388008277.db2.gz HNEOEYTZICSMRA-IUCAKERBSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)S(C)(=O)=O ZINC000533144231 388007498 /nfs/dbraw/zinc/00/74/98/388007498.db2.gz HNEOEYTZICSMRA-RKDXNWHRSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)S(C)(=O)=O ZINC000533144231 388007495 /nfs/dbraw/zinc/00/74/95/388007495.db2.gz HNEOEYTZICSMRA-RKDXNWHRSA-N 1 2 248.348 -0.370 20 0 BBADLO Nc1ccnc(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)n1 ZINC000533213754 411969001 /nfs/dbraw/zinc/96/90/01/411969001.db2.gz ZDLYXKLJRDLQLL-RKDXNWHRSA-N 1 2 247.302 -0.231 20 0 BBADLO Nc1ccnc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)n1 ZINC000533213754 411968993 /nfs/dbraw/zinc/96/89/93/411968993.db2.gz ZDLYXKLJRDLQLL-RKDXNWHRSA-N 1 2 247.302 -0.231 20 0 BBADLO COCC[N@@H+](Cc1ccno1)[C@H](C)C(N)=O ZINC000533278027 388045776 /nfs/dbraw/zinc/04/57/76/388045776.db2.gz JBQHNHFHHUTXIX-MRVPVSSYSA-N 1 2 227.264 -0.003 20 0 BBADLO COCC[N@H+](Cc1ccno1)[C@H](C)C(N)=O ZINC000533278027 388045771 /nfs/dbraw/zinc/04/57/71/388045771.db2.gz JBQHNHFHHUTXIX-MRVPVSSYSA-N 1 2 227.264 -0.003 20 0 BBADLO COCC[N@@H+](Cc1ccno1)[C@@H](C)C(N)=O ZINC000533278028 388046601 /nfs/dbraw/zinc/04/66/01/388046601.db2.gz JBQHNHFHHUTXIX-QMMMGPOBSA-N 1 2 227.264 -0.003 20 0 BBADLO COCC[N@H+](Cc1ccno1)[C@@H](C)C(N)=O ZINC000533278028 388046598 /nfs/dbraw/zinc/04/65/98/388046598.db2.gz JBQHNHFHHUTXIX-QMMMGPOBSA-N 1 2 227.264 -0.003 20 0 BBADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccno1 ZINC000533392796 384258674 /nfs/dbraw/zinc/25/86/74/384258674.db2.gz FKELAEXVFKXUCI-MRVPVSSYSA-N 1 2 245.304 -0.073 20 0 BBADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccno1 ZINC000533392796 384258666 /nfs/dbraw/zinc/25/86/66/384258666.db2.gz FKELAEXVFKXUCI-MRVPVSSYSA-N 1 2 245.304 -0.073 20 0 BBADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccno1 ZINC000533392797 384258922 /nfs/dbraw/zinc/25/89/22/384258922.db2.gz FKELAEXVFKXUCI-QMMMGPOBSA-N 1 2 245.304 -0.073 20 0 BBADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccno1 ZINC000533392797 384258917 /nfs/dbraw/zinc/25/89/17/384258917.db2.gz FKELAEXVFKXUCI-QMMMGPOBSA-N 1 2 245.304 -0.073 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2ccno2)C[C@@H](C(N)=O)O1 ZINC000533479497 384363492 /nfs/dbraw/zinc/36/34/92/384363492.db2.gz VRFIHQLUJQNHID-APPZFPTMSA-N 1 2 225.248 -0.251 20 0 BBADLO C[C@@H]1C[N@H+](Cc2ccno2)C[C@@H](C(N)=O)O1 ZINC000533479497 384363487 /nfs/dbraw/zinc/36/34/87/384363487.db2.gz VRFIHQLUJQNHID-APPZFPTMSA-N 1 2 225.248 -0.251 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2ccno2)C[C@H](C(N)=O)O1 ZINC000533479498 384362159 /nfs/dbraw/zinc/36/21/59/384362159.db2.gz VRFIHQLUJQNHID-VXNVDRBHSA-N 1 2 225.248 -0.251 20 0 BBADLO C[C@@H]1C[N@H+](Cc2ccno2)C[C@H](C(N)=O)O1 ZINC000533479498 384362153 /nfs/dbraw/zinc/36/21/53/384362153.db2.gz VRFIHQLUJQNHID-VXNVDRBHSA-N 1 2 225.248 -0.251 20 0 BBADLO Cc1[nH]c(C(=O)NC[C@H](C)S(C)(=O)=O)c[nH+]1 ZINC000533593967 384810368 /nfs/dbraw/zinc/81/03/68/384810368.db2.gz SCHNNYRIZKQILQ-LURJTMIESA-N 1 2 245.304 -0.119 20 0 BBADLO Cc1[nH]c(C(=O)NC[C@@H](C)S(C)(=O)=O)c[nH+]1 ZINC000533593968 322865316 /nfs/dbraw/zinc/86/53/16/322865316.db2.gz SCHNNYRIZKQILQ-ZCFIWIBFSA-N 1 2 245.304 -0.119 20 0 BBADLO CN(Cc1[nH+]ccn1C)c1nnnn1C ZINC000534310636 323116259 /nfs/dbraw/zinc/11/62/59/323116259.db2.gz PIRNCZVQGUVXFD-UHFFFAOYSA-N 1 2 207.241 -0.420 20 0 BBADLO Cc1cc(NC(=O)NC(CO)CO)c(C)c[nH+]1 ZINC000534324930 323116556 /nfs/dbraw/zinc/11/65/56/323116556.db2.gz QOSRRFSHHAZQNE-UHFFFAOYSA-N 1 2 239.275 -0.405 20 0 BBADLO C[N@@H+](CC(N)=O)Cc1cnc(N2CCCC2)nc1 ZINC000534338693 323117982 /nfs/dbraw/zinc/11/79/82/323117982.db2.gz KMLYOEZTHHBVTQ-UHFFFAOYSA-N 1 2 249.318 -0.006 20 0 BBADLO C[N@H+](CC(N)=O)Cc1cnc(N2CCCC2)nc1 ZINC000534338693 323117981 /nfs/dbraw/zinc/11/79/81/323117981.db2.gz KMLYOEZTHHBVTQ-UHFFFAOYSA-N 1 2 249.318 -0.006 20 0 BBADLO CNC(=O)NCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000534882971 323161643 /nfs/dbraw/zinc/16/16/43/323161643.db2.gz OZCFEPSOPKMQEA-UHFFFAOYSA-N 1 2 237.263 -0.805 20 0 BBADLO Cc1cc(NC(=O)Cn2cnnn2)c(C)c[nH+]1 ZINC000535036337 323164394 /nfs/dbraw/zinc/16/43/94/323164394.db2.gz MQSGFRQSUMHPGT-UHFFFAOYSA-N 1 2 232.247 -0.254 20 0 BBADLO CN(Cc1[nH+]ccn1C)c1nccn2nnnc12 ZINC000535046474 323164400 /nfs/dbraw/zinc/16/44/00/323164400.db2.gz CYLOYQBVGKRJOA-UHFFFAOYSA-N 1 2 244.262 -0.111 20 0 BBADLO COC(=O)[C@](C)([NH2+]CC1(CO)COC1)C1CC1 ZINC000535051087 323164616 /nfs/dbraw/zinc/16/46/16/323164616.db2.gz ZHCKTRGIYNESGE-LLVKDONJSA-N 1 2 243.303 -0.073 20 0 BBADLO COC(=O)[C@@](C)([NH2+]CC1(CO)COC1)C1CC1 ZINC000535051091 323164552 /nfs/dbraw/zinc/16/45/52/323164552.db2.gz ZHCKTRGIYNESGE-NSHDSACASA-N 1 2 243.303 -0.073 20 0 BBADLO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC000535560628 355042075 /nfs/dbraw/zinc/04/20/75/355042075.db2.gz YYEIBRDTRNBQQG-BDAKNGLRSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@@H](O)[C@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC000535560628 355042072 /nfs/dbraw/zinc/04/20/72/355042072.db2.gz YYEIBRDTRNBQQG-BDAKNGLRSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC000535560632 355044203 /nfs/dbraw/zinc/04/42/03/355044203.db2.gz YYEIBRDTRNBQQG-DTWKUNHWSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@H](O)[C@@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC000535560632 355044200 /nfs/dbraw/zinc/04/42/00/355044200.db2.gz YYEIBRDTRNBQQG-DTWKUNHWSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@H](O)[C@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC000535560633 355044310 /nfs/dbraw/zinc/04/43/10/355044310.db2.gz YYEIBRDTRNBQQG-IUCAKERBSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@H](O)[C@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC000535560633 355044307 /nfs/dbraw/zinc/04/43/07/355044307.db2.gz YYEIBRDTRNBQQG-IUCAKERBSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC000535560634 355045276 /nfs/dbraw/zinc/04/52/76/355045276.db2.gz YYEIBRDTRNBQQG-RKDXNWHRSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC000535560634 355045273 /nfs/dbraw/zinc/04/52/73/355045273.db2.gz YYEIBRDTRNBQQG-RKDXNWHRSA-N 1 2 225.296 -0.197 20 0 BBADLO Cn1cc(C[N@@H+](CC(N)=O)C(C)(C)C)nn1 ZINC000535583106 323186304 /nfs/dbraw/zinc/18/63/04/323186304.db2.gz OCMREZFJJSIKKZ-UHFFFAOYSA-N 1 2 225.296 -0.099 20 0 BBADLO Cn1cc(C[N@H+](CC(N)=O)C(C)(C)C)nn1 ZINC000535583106 323186303 /nfs/dbraw/zinc/18/63/03/323186303.db2.gz OCMREZFJJSIKKZ-UHFFFAOYSA-N 1 2 225.296 -0.099 20 0 BBADLO Nc1nc(NC(CO)CO)[nH+]c2ccccc12 ZINC000535721242 411928919 /nfs/dbraw/zinc/92/89/19/411928919.db2.gz LODRDCLMAGIGGT-UHFFFAOYSA-N 1 2 234.259 -0.601 20 0 BBADLO C[C@]1(F)CC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000535757178 323190599 /nfs/dbraw/zinc/19/05/99/323190599.db2.gz CCERJWQCPKKGFW-JTQLQIEISA-N 1 2 229.255 -0.028 20 0 BBADLO C[C@]1(F)CC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000535757178 323190598 /nfs/dbraw/zinc/19/05/98/323190598.db2.gz CCERJWQCPKKGFW-JTQLQIEISA-N 1 2 229.255 -0.028 20 0 BBADLO C[C@@]1(F)CC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000535757184 323190553 /nfs/dbraw/zinc/19/05/53/323190553.db2.gz CCERJWQCPKKGFW-SNVBAGLBSA-N 1 2 229.255 -0.028 20 0 BBADLO C[C@@]1(F)CC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000535757184 323190552 /nfs/dbraw/zinc/19/05/52/323190552.db2.gz CCERJWQCPKKGFW-SNVBAGLBSA-N 1 2 229.255 -0.028 20 0 BBADLO CNC(=O)CNC(=O)Nc1cc(C)[nH+]cc1C ZINC000535774177 323191106 /nfs/dbraw/zinc/19/11/06/323191106.db2.gz RDPQLMLUPKDOBR-UHFFFAOYSA-N 1 2 236.275 -0.012 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)NCCn1ncnn1 ZINC000535774677 323191016 /nfs/dbraw/zinc/19/10/16/323191016.db2.gz PQZVALRUUHHBTL-UHFFFAOYSA-N 1 2 247.262 -0.380 20 0 BBADLO C[C@H](O)CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000535830336 323193005 /nfs/dbraw/zinc/19/30/05/323193005.db2.gz ASFSWBQDLQDQSH-QMMMGPOBSA-N 1 2 247.258 -0.227 20 0 BBADLO COC[C@@](C)(O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000535912305 323194346 /nfs/dbraw/zinc/19/43/46/323194346.db2.gz YHJNEYJQIOTGDB-LLVKDONJSA-N 1 2 241.291 -0.224 20 0 BBADLO COC[C@](C)(O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000535912306 323194322 /nfs/dbraw/zinc/19/43/22/323194322.db2.gz YHJNEYJQIOTGDB-NSHDSACASA-N 1 2 241.291 -0.224 20 0 BBADLO C[C@@H](O)CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000536642244 323199439 /nfs/dbraw/zinc/19/94/39/323199439.db2.gz ASFSWBQDLQDQSH-MRVPVSSYSA-N 1 2 247.258 -0.227 20 0 BBADLO COC[C@@H](O)C[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000537517567 324076582 /nfs/dbraw/zinc/07/65/82/324076582.db2.gz PBICDHGQGKAVQG-FZNYLWTLSA-N 1 2 221.322 -0.554 20 0 BBADLO COC[C@@H](O)C[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000537517567 324076579 /nfs/dbraw/zinc/07/65/79/324076579.db2.gz PBICDHGQGKAVQG-FZNYLWTLSA-N 1 2 221.322 -0.554 20 0 BBADLO COC[C@@H](O)C[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000537517576 324076502 /nfs/dbraw/zinc/07/65/02/324076502.db2.gz PBICDHGQGKAVQG-ITMYJUKJSA-N 1 2 221.322 -0.554 20 0 BBADLO COC[C@@H](O)C[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000537517576 324076498 /nfs/dbraw/zinc/07/64/98/324076498.db2.gz PBICDHGQGKAVQG-ITMYJUKJSA-N 1 2 221.322 -0.554 20 0 BBADLO COC[C@@H](O)C[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000537517577 324076489 /nfs/dbraw/zinc/07/64/89/324076489.db2.gz PBICDHGQGKAVQG-TVLCNXBWSA-N 1 2 221.322 -0.554 20 0 BBADLO COC[C@@H](O)C[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000537517577 324076485 /nfs/dbraw/zinc/07/64/85/324076485.db2.gz PBICDHGQGKAVQG-TVLCNXBWSA-N 1 2 221.322 -0.554 20 0 BBADLO COC[C@@H](O)C[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000537517578 324076268 /nfs/dbraw/zinc/07/62/68/324076268.db2.gz PBICDHGQGKAVQG-UINNMSKDSA-N 1 2 221.322 -0.554 20 0 BBADLO COC[C@@H](O)C[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000537517578 324076265 /nfs/dbraw/zinc/07/62/65/324076265.db2.gz PBICDHGQGKAVQG-UINNMSKDSA-N 1 2 221.322 -0.554 20 0 BBADLO CC(=O)N1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC000537600699 324082176 /nfs/dbraw/zinc/08/21/76/324082176.db2.gz HWBHESOZRQVBCN-LLVKDONJSA-N 1 2 239.319 -0.229 20 0 BBADLO CC(=O)N1CC[NH+]([C@H]2CCCN(C)C2=O)CC1 ZINC000537600700 324082598 /nfs/dbraw/zinc/08/25/98/324082598.db2.gz HWBHESOZRQVBCN-NSHDSACASA-N 1 2 239.319 -0.229 20 0 BBADLO CN1CCC[C@H]([N@@H+](C)CC(=O)NC2CC2)C1=O ZINC000537601192 360368493 /nfs/dbraw/zinc/36/84/93/360368493.db2.gz NEQQFNKRRBMUBK-JTQLQIEISA-N 1 2 239.319 -0.182 20 0 BBADLO CN1CCC[C@H]([N@H+](C)CC(=O)NC2CC2)C1=O ZINC000537601192 360368487 /nfs/dbraw/zinc/36/84/87/360368487.db2.gz NEQQFNKRRBMUBK-JTQLQIEISA-N 1 2 239.319 -0.182 20 0 BBADLO CN1CCC[C@@H]([N@@H+](C)CC(=O)NC2CC2)C1=O ZINC000537601193 360368420 /nfs/dbraw/zinc/36/84/20/360368420.db2.gz NEQQFNKRRBMUBK-SNVBAGLBSA-N 1 2 239.319 -0.182 20 0 BBADLO CN1CCC[C@@H]([N@H+](C)CC(=O)NC2CC2)C1=O ZINC000537601193 360368415 /nfs/dbraw/zinc/36/84/15/360368415.db2.gz NEQQFNKRRBMUBK-SNVBAGLBSA-N 1 2 239.319 -0.182 20 0 BBADLO O=C1NC(=O)N2CC[N@@H+](CCn3cccn3)C[C@H]12 ZINC000537610122 324087263 /nfs/dbraw/zinc/08/72/63/324087263.db2.gz FRGPELNHYBHBIE-SECBINFHSA-N 1 2 249.274 -0.881 20 0 BBADLO O=C1NC(=O)N2CC[N@H+](CCn3cccn3)C[C@H]12 ZINC000537610122 324087260 /nfs/dbraw/zinc/08/72/60/324087260.db2.gz FRGPELNHYBHBIE-SECBINFHSA-N 1 2 249.274 -0.881 20 0 BBADLO O=C1NC(=O)N2CC[N@@H+](CCn3cccn3)C[C@@H]12 ZINC000537610123 324087370 /nfs/dbraw/zinc/08/73/70/324087370.db2.gz FRGPELNHYBHBIE-VIFPVBQESA-N 1 2 249.274 -0.881 20 0 BBADLO O=C1NC(=O)N2CC[N@H+](CCn3cccn3)C[C@@H]12 ZINC000537610123 324087367 /nfs/dbraw/zinc/08/73/67/324087367.db2.gz FRGPELNHYBHBIE-VIFPVBQESA-N 1 2 249.274 -0.881 20 0 BBADLO Cn1nncc1C[N@@H+](C)CCN1CCCC1=O ZINC000537632623 324090088 /nfs/dbraw/zinc/09/00/88/324090088.db2.gz GVMYBFHQCVHZAX-UHFFFAOYSA-N 1 2 237.307 -0.131 20 0 BBADLO Cn1nncc1C[N@H+](C)CCN1CCCC1=O ZINC000537632623 324090086 /nfs/dbraw/zinc/09/00/86/324090086.db2.gz GVMYBFHQCVHZAX-UHFFFAOYSA-N 1 2 237.307 -0.131 20 0 BBADLO Cc1cc(NC(=O)CCNC(N)=O)cc[nH+]1 ZINC000538254245 388681160 /nfs/dbraw/zinc/68/11/60/388681160.db2.gz NBSXJFXSAXYMJG-UHFFFAOYSA-N 1 2 222.248 -0.191 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)CCNC(N)=O ZINC000538272758 388682320 /nfs/dbraw/zinc/68/23/20/388682320.db2.gz ZSNCYRGWNWXHHZ-UHFFFAOYSA-N 1 2 222.248 -0.191 20 0 BBADLO CNC(=O)C[N@@H+](C)[C@@H]1CCCN(C)C1=O ZINC000538703434 388706835 /nfs/dbraw/zinc/70/68/35/388706835.db2.gz VQXRHWYGQLUJNK-MRVPVSSYSA-N 1 2 213.281 -0.715 20 0 BBADLO CNC(=O)C[N@H+](C)[C@@H]1CCCN(C)C1=O ZINC000538703434 388706833 /nfs/dbraw/zinc/70/68/33/388706833.db2.gz VQXRHWYGQLUJNK-MRVPVSSYSA-N 1 2 213.281 -0.715 20 0 BBADLO CNC(=O)C[N@@H+](C)[C@H]1CCCN(C)C1=O ZINC000538703443 388706923 /nfs/dbraw/zinc/70/69/23/388706923.db2.gz VQXRHWYGQLUJNK-QMMMGPOBSA-N 1 2 213.281 -0.715 20 0 BBADLO CNC(=O)C[N@H+](C)[C@H]1CCCN(C)C1=O ZINC000538703443 388706919 /nfs/dbraw/zinc/70/69/19/388706919.db2.gz VQXRHWYGQLUJNK-QMMMGPOBSA-N 1 2 213.281 -0.715 20 0 BBADLO CN1CC[N@H+]([C@@H]2CCCN(C)C2=O)CC1=O ZINC000538709148 388708685 /nfs/dbraw/zinc/70/86/85/388708685.db2.gz VSDAIJKYFORPMB-SECBINFHSA-N 1 2 225.292 -0.619 20 0 BBADLO CN1CC[N@@H+]([C@@H]2CCCN(C)C2=O)CC1=O ZINC000538709148 388708684 /nfs/dbraw/zinc/70/86/84/388708684.db2.gz VSDAIJKYFORPMB-SECBINFHSA-N 1 2 225.292 -0.619 20 0 BBADLO CN1CC[N@H+]([C@H]2CCCN(C)C2=O)CC1=O ZINC000538709149 388708748 /nfs/dbraw/zinc/70/87/48/388708748.db2.gz VSDAIJKYFORPMB-VIFPVBQESA-N 1 2 225.292 -0.619 20 0 BBADLO CN1CC[N@@H+]([C@H]2CCCN(C)C2=O)CC1=O ZINC000538709149 388708745 /nfs/dbraw/zinc/70/87/45/388708745.db2.gz VSDAIJKYFORPMB-VIFPVBQESA-N 1 2 225.292 -0.619 20 0 BBADLO Cc1cc(NC(=O)NC[C@@H](O)CO)c(C)c[nH+]1 ZINC000539128137 388748915 /nfs/dbraw/zinc/74/89/15/388748915.db2.gz YRDBDOHMPFYTMY-SECBINFHSA-N 1 2 239.275 -0.405 20 0 BBADLO Cc1cc(NC(=O)NC[C@H](O)CO)c(C)c[nH+]1 ZINC000539128141 324826389 /nfs/dbraw/zinc/82/63/89/324826389.db2.gz YRDBDOHMPFYTMY-VIFPVBQESA-N 1 2 239.275 -0.405 20 0 BBADLO C[N@@H+](CCc1cnccn1)Cc1n[nH]c(=O)[nH]1 ZINC000539222055 388749902 /nfs/dbraw/zinc/74/99/02/388749902.db2.gz YCKHYRYTANSDHX-UHFFFAOYSA-N 1 2 234.263 -0.025 20 0 BBADLO C[N@H+](CCc1cnccn1)Cc1n[nH]c(=O)[nH]1 ZINC000539222055 388749901 /nfs/dbraw/zinc/74/99/01/388749901.db2.gz YCKHYRYTANSDHX-UHFFFAOYSA-N 1 2 234.263 -0.025 20 0 BBADLO CC(=O)NCCC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000539766490 388773172 /nfs/dbraw/zinc/77/31/72/388773172.db2.gz VBQKLDYANDXVQR-SECBINFHSA-N 1 2 245.348 -0.585 20 0 BBADLO CC(=O)NCCC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000539766490 388773167 /nfs/dbraw/zinc/77/31/67/388773167.db2.gz VBQKLDYANDXVQR-SECBINFHSA-N 1 2 245.348 -0.585 20 0 BBADLO CC(=O)NCCC[N@H+]1CCSC[C@H]1C(N)=O ZINC000539766496 388773688 /nfs/dbraw/zinc/77/36/88/388773688.db2.gz VBQKLDYANDXVQR-VIFPVBQESA-N 1 2 245.348 -0.585 20 0 BBADLO CC(=O)NCCC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000539766496 388773683 /nfs/dbraw/zinc/77/36/83/388773683.db2.gz VBQKLDYANDXVQR-VIFPVBQESA-N 1 2 245.348 -0.585 20 0 BBADLO CN(C)C(=O)C[N@@H+](C)[C@@H]1CCCN(C)C1=O ZINC000539802739 388776997 /nfs/dbraw/zinc/77/69/97/388776997.db2.gz OHLOWKVKXFHSKI-SECBINFHSA-N 1 2 227.308 -0.373 20 0 BBADLO CN(C)C(=O)C[N@H+](C)[C@@H]1CCCN(C)C1=O ZINC000539802739 388776994 /nfs/dbraw/zinc/77/69/94/388776994.db2.gz OHLOWKVKXFHSKI-SECBINFHSA-N 1 2 227.308 -0.373 20 0 BBADLO CN(C)C(=O)C[N@@H+](C)[C@H]1CCCN(C)C1=O ZINC000539802740 388776835 /nfs/dbraw/zinc/77/68/35/388776835.db2.gz OHLOWKVKXFHSKI-VIFPVBQESA-N 1 2 227.308 -0.373 20 0 BBADLO CN(C)C(=O)C[N@H+](C)[C@H]1CCCN(C)C1=O ZINC000539802740 388776832 /nfs/dbraw/zinc/77/68/32/388776832.db2.gz OHLOWKVKXFHSKI-VIFPVBQESA-N 1 2 227.308 -0.373 20 0 BBADLO Cc1nc(N2CCN3C(=O)NC(=O)[C@H]3C2)cc[nH+]1 ZINC000539806513 324862027 /nfs/dbraw/zinc/86/20/27/324862027.db2.gz GPQZBKLAVYVCGQ-MRVPVSSYSA-N 1 2 247.258 -0.475 20 0 BBADLO Cc1nc(N2CCN3C(=O)NC(=O)[C@@H]3C2)cc[nH+]1 ZINC000539806514 388777684 /nfs/dbraw/zinc/77/76/84/388777684.db2.gz GPQZBKLAVYVCGQ-QMMMGPOBSA-N 1 2 247.258 -0.475 20 0 BBADLO COC[C@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)CCO1 ZINC000539808614 388778186 /nfs/dbraw/zinc/77/81/86/388778186.db2.gz GOXKYFXUVQVPSK-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO COC[C@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)CCO1 ZINC000539808614 388778181 /nfs/dbraw/zinc/77/81/81/388778181.db2.gz GOXKYFXUVQVPSK-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO COC[C@H]1C[N@H+]([C@H]2CCCN(C)C2=O)CCO1 ZINC000539808616 388778234 /nfs/dbraw/zinc/77/82/34/388778234.db2.gz GOXKYFXUVQVPSK-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO COC[C@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)CCO1 ZINC000539808616 388778233 /nfs/dbraw/zinc/77/82/33/388778233.db2.gz GOXKYFXUVQVPSK-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO COC[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)CCO1 ZINC000539808617 388777470 /nfs/dbraw/zinc/77/74/70/388777470.db2.gz GOXKYFXUVQVPSK-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO COC[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)CCO1 ZINC000539808617 388777467 /nfs/dbraw/zinc/77/74/67/388777467.db2.gz GOXKYFXUVQVPSK-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO COC[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)CCO1 ZINC000539808618 388778257 /nfs/dbraw/zinc/77/82/57/388778257.db2.gz GOXKYFXUVQVPSK-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO COC[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)CCO1 ZINC000539808618 388778252 /nfs/dbraw/zinc/77/82/52/388778252.db2.gz GOXKYFXUVQVPSK-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO CN1CCC[C@H]([N@@H+](C)[C@@H]2CCNC2=O)C1=O ZINC000539812117 388779232 /nfs/dbraw/zinc/77/92/32/388779232.db2.gz FXRLFYGRTFDIBN-BDAKNGLRSA-N 1 2 225.292 -0.573 20 0 BBADLO CN1CCC[C@H]([N@H+](C)[C@@H]2CCNC2=O)C1=O ZINC000539812117 388779227 /nfs/dbraw/zinc/77/92/27/388779227.db2.gz FXRLFYGRTFDIBN-BDAKNGLRSA-N 1 2 225.292 -0.573 20 0 BBADLO CN1CCC[C@@H]([N@@H+](C)[C@H]2CCNC2=O)C1=O ZINC000539812118 388779186 /nfs/dbraw/zinc/77/91/86/388779186.db2.gz FXRLFYGRTFDIBN-DTWKUNHWSA-N 1 2 225.292 -0.573 20 0 BBADLO CN1CCC[C@@H]([N@H+](C)[C@H]2CCNC2=O)C1=O ZINC000539812118 388779183 /nfs/dbraw/zinc/77/91/83/388779183.db2.gz FXRLFYGRTFDIBN-DTWKUNHWSA-N 1 2 225.292 -0.573 20 0 BBADLO CN1CCC[C@H]([N@@H+](C)[C@H]2CCNC2=O)C1=O ZINC000539812119 388780409 /nfs/dbraw/zinc/78/04/09/388780409.db2.gz FXRLFYGRTFDIBN-IUCAKERBSA-N 1 2 225.292 -0.573 20 0 BBADLO CN1CCC[C@H]([N@H+](C)[C@H]2CCNC2=O)C1=O ZINC000539812119 388780405 /nfs/dbraw/zinc/78/04/05/388780405.db2.gz FXRLFYGRTFDIBN-IUCAKERBSA-N 1 2 225.292 -0.573 20 0 BBADLO CN1CCC[C@@H]([N@@H+](C)[C@@H]2CCNC2=O)C1=O ZINC000539812120 388779455 /nfs/dbraw/zinc/77/94/55/388779455.db2.gz FXRLFYGRTFDIBN-RKDXNWHRSA-N 1 2 225.292 -0.573 20 0 BBADLO CN1CCC[C@@H]([N@H+](C)[C@@H]2CCNC2=O)C1=O ZINC000539812120 388779452 /nfs/dbraw/zinc/77/94/52/388779452.db2.gz FXRLFYGRTFDIBN-RKDXNWHRSA-N 1 2 225.292 -0.573 20 0 BBADLO Cn1nnnc1C[N@@H+](C)CC1=CCCOC1 ZINC000539908845 388788027 /nfs/dbraw/zinc/78/80/27/388788027.db2.gz LJDCECSMGTXHBW-UHFFFAOYSA-N 1 2 223.280 -0.011 20 0 BBADLO Cn1nnnc1C[N@H+](C)CC1=CCCOC1 ZINC000539908845 388788022 /nfs/dbraw/zinc/78/80/22/388788022.db2.gz LJDCECSMGTXHBW-UHFFFAOYSA-N 1 2 223.280 -0.011 20 0 BBADLO CN1CCC[C@@H]([NH+]2CCN(CCO)CC2)C1=O ZINC000540902244 388824861 /nfs/dbraw/zinc/82/48/61/388824861.db2.gz VNLBIXLZWXLMBS-LLVKDONJSA-N 1 2 241.335 -0.783 20 0 BBADLO CN1CCC[C@H]([NH+]2CCN(CCO)CC2)C1=O ZINC000540902246 388824315 /nfs/dbraw/zinc/82/43/15/388824315.db2.gz VNLBIXLZWXLMBS-NSHDSACASA-N 1 2 241.335 -0.783 20 0 BBADLO Cc1cc(N2CCN3C(=O)NC(=O)[C@H]3C2)nc[nH+]1 ZINC000540905983 388824869 /nfs/dbraw/zinc/82/48/69/388824869.db2.gz JYJYRWPSGTVDHP-MRVPVSSYSA-N 1 2 247.258 -0.475 20 0 BBADLO Cc1cc(N2CCN3C(=O)NC(=O)[C@@H]3C2)nc[nH+]1 ZINC000540905984 388824810 /nfs/dbraw/zinc/82/48/10/388824810.db2.gz JYJYRWPSGTVDHP-QMMMGPOBSA-N 1 2 247.258 -0.475 20 0 BBADLO CCN(C)S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000541126527 388841678 /nfs/dbraw/zinc/84/16/78/388841678.db2.gz WLGVAXJFJLWJLA-UHFFFAOYSA-N 1 2 244.320 -0.064 20 0 BBADLO O=S(=O)(NCCn1cc[nH+]c1)NC1CC1 ZINC000541572308 388857977 /nfs/dbraw/zinc/85/79/77/388857977.db2.gz DCWSRIPSPBMASF-UHFFFAOYSA-N 1 2 230.293 -0.531 20 0 BBADLO CCNC(=O)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000541889803 324989984 /nfs/dbraw/zinc/98/99/84/324989984.db2.gz HZHOWSQAQUCVEX-UHFFFAOYSA-N 1 2 236.275 -0.207 20 0 BBADLO Cc1cc(NCCN2CCNC(=O)C2)nc[nH+]1 ZINC000541894383 411646154 /nfs/dbraw/zinc/64/61/54/411646154.db2.gz LCOUULZHCCQVBS-UHFFFAOYSA-N 1 2 235.291 -0.371 20 0 BBADLO NC(=O)c1cccc(C(=O)NCc2[nH]cc[nH+]2)n1 ZINC000541973317 325002039 /nfs/dbraw/zinc/00/20/39/325002039.db2.gz FAGCOLNAPYHAQS-UHFFFAOYSA-N 1 2 245.242 -0.166 20 0 BBADLO COCCS(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000542051480 325007069 /nfs/dbraw/zinc/00/70/69/325007069.db2.gz KRLNPTPFHSJFFO-UHFFFAOYSA-N 1 2 245.304 -0.284 20 0 BBADLO NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccno2)C1 ZINC000542510154 325032675 /nfs/dbraw/zinc/03/26/75/325032675.db2.gz JJFMEEIQWBOJRE-SECBINFHSA-N 1 2 245.304 -0.073 20 0 BBADLO NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccno2)C1 ZINC000542510154 325032671 /nfs/dbraw/zinc/03/26/71/325032671.db2.gz JJFMEEIQWBOJRE-SECBINFHSA-N 1 2 245.304 -0.073 20 0 BBADLO NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccno2)C1 ZINC000542510159 325032219 /nfs/dbraw/zinc/03/22/19/325032219.db2.gz JJFMEEIQWBOJRE-VIFPVBQESA-N 1 2 245.304 -0.073 20 0 BBADLO NS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccno2)C1 ZINC000542510159 325032215 /nfs/dbraw/zinc/03/22/15/325032215.db2.gz JJFMEEIQWBOJRE-VIFPVBQESA-N 1 2 245.304 -0.073 20 0 BBADLO CCCCn1nnnc1C[NH2+]C1(C(N)=O)CC1 ZINC000542550419 325034440 /nfs/dbraw/zinc/03/44/40/325034440.db2.gz JSSKSDRCGTWTRZ-UHFFFAOYSA-N 1 2 238.295 -0.419 20 0 BBADLO CCN1CC[N@@H+](CC2(CO)COC2)CC1=O ZINC000542595747 325036619 /nfs/dbraw/zinc/03/66/19/325036619.db2.gz YVXHTCUCPBHXEP-UHFFFAOYSA-N 1 2 228.292 -0.841 20 0 BBADLO CCN1CC[N@H+](CC2(CO)COC2)CC1=O ZINC000542595747 325036614 /nfs/dbraw/zinc/03/66/14/325036614.db2.gz YVXHTCUCPBHXEP-UHFFFAOYSA-N 1 2 228.292 -0.841 20 0 BBADLO C[NH+]1CCN(C(=O)c2cccc(C(N)=O)n2)CC1 ZINC000542870542 325059432 /nfs/dbraw/zinc/05/94/32/325059432.db2.gz SNEDSGXFDBNNGY-UHFFFAOYSA-N 1 2 248.286 -0.432 20 0 BBADLO C[C@H]1C[N@@H+](CCNC(=O)C2(C)COC2)CCO1 ZINC000542950576 325065060 /nfs/dbraw/zinc/06/50/60/325065060.db2.gz QSFYZRIYMQWJSM-JTQLQIEISA-N 1 2 242.319 -0.140 20 0 BBADLO C[C@H]1C[N@H+](CCNC(=O)C2(C)COC2)CCO1 ZINC000542950576 325065058 /nfs/dbraw/zinc/06/50/58/325065058.db2.gz QSFYZRIYMQWJSM-JTQLQIEISA-N 1 2 242.319 -0.140 20 0 BBADLO C[C@@H]1C[N@@H+](CCNC(=O)C2(C)COC2)CCO1 ZINC000542950577 325065036 /nfs/dbraw/zinc/06/50/36/325065036.db2.gz QSFYZRIYMQWJSM-SNVBAGLBSA-N 1 2 242.319 -0.140 20 0 BBADLO C[C@@H]1C[N@H+](CCNC(=O)C2(C)COC2)CCO1 ZINC000542950577 325065034 /nfs/dbraw/zinc/06/50/34/325065034.db2.gz QSFYZRIYMQWJSM-SNVBAGLBSA-N 1 2 242.319 -0.140 20 0 BBADLO CN(C)S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000542980931 325066810 /nfs/dbraw/zinc/06/68/10/325066810.db2.gz YIRIAINJDYNLCO-UHFFFAOYSA-N 1 2 230.293 -0.454 20 0 BBADLO Cn1c[nH+]cc1CCNC(=O)c1nccnc1N ZINC000543411547 325086514 /nfs/dbraw/zinc/08/65/14/325086514.db2.gz KOWOISQXEXSTDJ-UHFFFAOYSA-N 1 2 246.274 -0.235 20 0 BBADLO CC(C)NS(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000543908383 325122596 /nfs/dbraw/zinc/12/25/96/325122596.db2.gz JMMBMHJMSIOFBT-UHFFFAOYSA-N 1 2 244.320 -0.017 20 0 BBADLO Cn1cc(C[N@H+]2CCSC[C@H]2CO)nn1 ZINC000544131248 325132828 /nfs/dbraw/zinc/13/28/28/325132828.db2.gz DTTJFJNPNCQEBU-SECBINFHSA-N 1 2 228.321 -0.275 20 0 BBADLO Cn1cc(C[N@@H+]2CCSC[C@H]2CO)nn1 ZINC000544131248 325132825 /nfs/dbraw/zinc/13/28/25/325132825.db2.gz DTTJFJNPNCQEBU-SECBINFHSA-N 1 2 228.321 -0.275 20 0 BBADLO Cn1cc(C[N@H+]2CCSC[C@@H]2CO)nn1 ZINC000544131249 325132895 /nfs/dbraw/zinc/13/28/95/325132895.db2.gz DTTJFJNPNCQEBU-VIFPVBQESA-N 1 2 228.321 -0.275 20 0 BBADLO Cn1cc(C[N@@H+]2CCSC[C@@H]2CO)nn1 ZINC000544131249 325132893 /nfs/dbraw/zinc/13/28/93/325132893.db2.gz DTTJFJNPNCQEBU-VIFPVBQESA-N 1 2 228.321 -0.275 20 0 BBADLO Cn1c[nH+]cc1CCNC(=O)Cn1cccn1 ZINC000544355549 325139284 /nfs/dbraw/zinc/13/92/84/325139284.db2.gz JGJRMVXHPIGAMQ-UHFFFAOYSA-N 1 2 233.275 -0.025 20 0 BBADLO c1c[nH]c(C[N@H+]2CCN3CCOC[C@@H]3C2)n1 ZINC000544529497 325146114 /nfs/dbraw/zinc/14/61/14/325146114.db2.gz GXYPBLKHMIQYLL-JTQLQIEISA-N 1 2 222.292 -0.074 20 0 BBADLO c1c[nH]c(C[N@@H+]2CCN3CCOC[C@@H]3C2)n1 ZINC000544529497 325146111 /nfs/dbraw/zinc/14/61/11/325146111.db2.gz GXYPBLKHMIQYLL-JTQLQIEISA-N 1 2 222.292 -0.074 20 0 BBADLO c1c[nH]c(C[N@H+]2CCN3CCOC[C@H]3C2)n1 ZINC000544529506 325146019 /nfs/dbraw/zinc/14/60/19/325146019.db2.gz GXYPBLKHMIQYLL-SNVBAGLBSA-N 1 2 222.292 -0.074 20 0 BBADLO c1c[nH]c(C[N@@H+]2CCN3CCOC[C@H]3C2)n1 ZINC000544529506 325146017 /nfs/dbraw/zinc/14/60/17/325146017.db2.gz GXYPBLKHMIQYLL-SNVBAGLBSA-N 1 2 222.292 -0.074 20 0 BBADLO C[C@]1(CO)CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000544759882 325158376 /nfs/dbraw/zinc/15/83/76/325158376.db2.gz UVLKLTAZXYJQMW-SECBINFHSA-N 1 2 212.253 -0.143 20 0 BBADLO C[C@]1(CO)CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000544759882 325158374 /nfs/dbraw/zinc/15/83/74/325158374.db2.gz UVLKLTAZXYJQMW-SECBINFHSA-N 1 2 212.253 -0.143 20 0 BBADLO C[C@@]1(CO)CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000544759883 325157819 /nfs/dbraw/zinc/15/78/19/325157819.db2.gz UVLKLTAZXYJQMW-VIFPVBQESA-N 1 2 212.253 -0.143 20 0 BBADLO C[C@@]1(CO)CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000544759883 325157817 /nfs/dbraw/zinc/15/78/17/325157817.db2.gz UVLKLTAZXYJQMW-VIFPVBQESA-N 1 2 212.253 -0.143 20 0 BBADLO Cn1nccc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000545202196 325190198 /nfs/dbraw/zinc/19/01/98/325190198.db2.gz GPILUBDZXNXRIM-UHFFFAOYSA-N 1 2 244.320 -0.596 20 0 BBADLO COCC[N@@H+](Cc1nc(=O)n(C)[nH]1)C1CC1 ZINC000545329014 325213876 /nfs/dbraw/zinc/21/38/76/325213876.db2.gz RQGQFJIXUMUGQQ-UHFFFAOYSA-N 1 2 226.280 -0.281 20 0 BBADLO COCC[N@H+](Cc1nc(=O)n(C)[nH]1)C1CC1 ZINC000545329014 325213874 /nfs/dbraw/zinc/21/38/74/325213874.db2.gz RQGQFJIXUMUGQQ-UHFFFAOYSA-N 1 2 226.280 -0.281 20 0 BBADLO Cc1n[nH]cc1C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000545490695 325225329 /nfs/dbraw/zinc/22/53/29/325225329.db2.gz RBJGTRPYXUFKNT-SECBINFHSA-N 1 2 249.274 -0.546 20 0 BBADLO Cc1n[nH]cc1C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000545490695 325225327 /nfs/dbraw/zinc/22/53/27/325225327.db2.gz RBJGTRPYXUFKNT-SECBINFHSA-N 1 2 249.274 -0.546 20 0 BBADLO Cc1n[nH]cc1C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000545490697 325225703 /nfs/dbraw/zinc/22/57/03/325225703.db2.gz RBJGTRPYXUFKNT-VIFPVBQESA-N 1 2 249.274 -0.546 20 0 BBADLO Cc1n[nH]cc1C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000545490697 325225701 /nfs/dbraw/zinc/22/57/01/325225701.db2.gz RBJGTRPYXUFKNT-VIFPVBQESA-N 1 2 249.274 -0.546 20 0 BBADLO C[C@@H]1CN(C(=O)C[NH+](C)C)CCS1(=O)=O ZINC000545911340 325245779 /nfs/dbraw/zinc/24/57/79/325245779.db2.gz NWGCIZLJDHAKDK-MRVPVSSYSA-N 1 2 234.321 -0.807 20 0 BBADLO C[C@H]1CN(C(=O)C[NH+](C)C)CCS1(=O)=O ZINC000545911341 325245663 /nfs/dbraw/zinc/24/56/63/325245663.db2.gz NWGCIZLJDHAKDK-QMMMGPOBSA-N 1 2 234.321 -0.807 20 0 BBADLO C[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)C1CC(O)C1 ZINC000546095205 325265908 /nfs/dbraw/zinc/26/59/08/325265908.db2.gz XDOLUYLVCSEHRS-UHFFFAOYSA-N 1 2 248.286 -0.022 20 0 BBADLO C[N@H+](Cc1cc(=O)n2[nH]ccc2n1)C1CC(O)C1 ZINC000546095205 325265906 /nfs/dbraw/zinc/26/59/06/325265906.db2.gz XDOLUYLVCSEHRS-UHFFFAOYSA-N 1 2 248.286 -0.022 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@]2(C)CO)C1 ZINC000546112425 325266539 /nfs/dbraw/zinc/26/65/39/325266539.db2.gz REAGRADIPMMKCH-CMPLNLGQSA-N 1 2 242.319 -0.310 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@]2(C)CO)C1 ZINC000546112425 325266538 /nfs/dbraw/zinc/26/65/38/325266538.db2.gz REAGRADIPMMKCH-CMPLNLGQSA-N 1 2 242.319 -0.310 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@]2(C)CO)C1 ZINC000546112426 325266674 /nfs/dbraw/zinc/26/66/74/325266674.db2.gz REAGRADIPMMKCH-JQWIXIFHSA-N 1 2 242.319 -0.310 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@]2(C)CO)C1 ZINC000546112426 325266672 /nfs/dbraw/zinc/26/66/72/325266672.db2.gz REAGRADIPMMKCH-JQWIXIFHSA-N 1 2 242.319 -0.310 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@]2(C)CO)C1 ZINC000546112427 325266682 /nfs/dbraw/zinc/26/66/82/325266682.db2.gz REAGRADIPMMKCH-PWSUYJOCSA-N 1 2 242.319 -0.310 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@]2(C)CO)C1 ZINC000546112427 325266678 /nfs/dbraw/zinc/26/66/78/325266678.db2.gz REAGRADIPMMKCH-PWSUYJOCSA-N 1 2 242.319 -0.310 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@]2(C)CO)C1 ZINC000546112428 325266285 /nfs/dbraw/zinc/26/62/85/325266285.db2.gz REAGRADIPMMKCH-ZYHUDNBSSA-N 1 2 242.319 -0.310 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@]2(C)CO)C1 ZINC000546112428 325266281 /nfs/dbraw/zinc/26/62/81/325266281.db2.gz REAGRADIPMMKCH-ZYHUDNBSSA-N 1 2 242.319 -0.310 20 0 BBADLO Cc1nnc(CCNc2cc[nH+]cc2C(N)=O)[nH]1 ZINC000546578553 325288468 /nfs/dbraw/zinc/28/84/68/325288468.db2.gz SGJBAZNPEZJWPM-UHFFFAOYSA-N 1 2 246.274 -0.316 20 0 BBADLO c1cnn(CC[N@H+]2CCn3ncnc3C2)c1 ZINC000546739359 325307613 /nfs/dbraw/zinc/30/76/13/325307613.db2.gz MYWWPXUNGCPSAN-UHFFFAOYSA-N 1 2 218.264 -0.010 20 0 BBADLO c1cnn(CC[N@@H+]2CCn3ncnc3C2)c1 ZINC000546739359 325307610 /nfs/dbraw/zinc/30/76/10/325307610.db2.gz MYWWPXUNGCPSAN-UHFFFAOYSA-N 1 2 218.264 -0.010 20 0 BBADLO CCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000547326710 325341521 /nfs/dbraw/zinc/34/15/21/325341521.db2.gz BPZXGQBPMXJITK-UHFFFAOYSA-N 1 2 236.337 -0.352 20 0 BBADLO CN(Cc1[nH+]ccn1C)S(=O)(=O)NC1CC1 ZINC000547469223 325359473 /nfs/dbraw/zinc/35/94/73/325359473.db2.gz MUNJLILVPVBPFT-UHFFFAOYSA-N 1 2 244.320 -0.151 20 0 BBADLO Cn1c[nH+]cc1CC(=O)NCCn1cccn1 ZINC000547539453 325371024 /nfs/dbraw/zinc/37/10/24/325371024.db2.gz BYSBYSDMHDMVQB-UHFFFAOYSA-N 1 2 233.275 -0.025 20 0 BBADLO COC(=O)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000547605164 325374458 /nfs/dbraw/zinc/37/44/58/325374458.db2.gz ZFWAODDPJNUQBR-SSDOTTSWSA-N 1 2 225.248 -0.360 20 0 BBADLO Cn1ncnc1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000547646288 325378391 /nfs/dbraw/zinc/37/83/91/325378391.db2.gz WYWRZPWKFYNNFM-MRVPVSSYSA-N 1 2 208.265 -0.228 20 0 BBADLO Cn1ncnc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000547646288 325378389 /nfs/dbraw/zinc/37/83/89/325378389.db2.gz WYWRZPWKFYNNFM-MRVPVSSYSA-N 1 2 208.265 -0.228 20 0 BBADLO Cn1ncnc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000547646289 325378428 /nfs/dbraw/zinc/37/84/28/325378428.db2.gz WYWRZPWKFYNNFM-QMMMGPOBSA-N 1 2 208.265 -0.228 20 0 BBADLO Cn1ncnc1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000547646289 325378425 /nfs/dbraw/zinc/37/84/25/325378425.db2.gz WYWRZPWKFYNNFM-QMMMGPOBSA-N 1 2 208.265 -0.228 20 0 BBADLO CCN1CC[N@@H+](CC2(CO)COC2)[C@@H](C)C1=O ZINC000547649364 325378888 /nfs/dbraw/zinc/37/88/88/325378888.db2.gz COPWSQVVYMSHLZ-JTQLQIEISA-N 1 2 242.319 -0.452 20 0 BBADLO CCN1CC[N@H+](CC2(CO)COC2)[C@@H](C)C1=O ZINC000547649364 325378886 /nfs/dbraw/zinc/37/88/86/325378886.db2.gz COPWSQVVYMSHLZ-JTQLQIEISA-N 1 2 242.319 -0.452 20 0 BBADLO CCN1CC[N@@H+](CC2(CO)COC2)[C@H](C)C1=O ZINC000547649365 325378998 /nfs/dbraw/zinc/37/89/98/325378998.db2.gz COPWSQVVYMSHLZ-SNVBAGLBSA-N 1 2 242.319 -0.452 20 0 BBADLO CCN1CC[N@H+](CC2(CO)COC2)[C@H](C)C1=O ZINC000547649365 325378996 /nfs/dbraw/zinc/37/89/96/325378996.db2.gz COPWSQVVYMSHLZ-SNVBAGLBSA-N 1 2 242.319 -0.452 20 0 BBADLO CCOC(=O)[C@](C)(O)C[N@H+]1CCN(C)C(=O)C1 ZINC000547785925 325398049 /nfs/dbraw/zinc/39/80/49/325398049.db2.gz FTUXSSGBGIDLRX-LLVKDONJSA-N 1 2 244.291 -0.926 20 0 BBADLO CCOC(=O)[C@](C)(O)C[N@@H+]1CCN(C)C(=O)C1 ZINC000547785925 325398046 /nfs/dbraw/zinc/39/80/46/325398046.db2.gz FTUXSSGBGIDLRX-LLVKDONJSA-N 1 2 244.291 -0.926 20 0 BBADLO CCOC(=O)[C@@](C)(O)C[N@H+]1CCN(C)C(=O)C1 ZINC000547785926 325397941 /nfs/dbraw/zinc/39/79/41/325397941.db2.gz FTUXSSGBGIDLRX-NSHDSACASA-N 1 2 244.291 -0.926 20 0 BBADLO CCOC(=O)[C@@](C)(O)C[N@@H+]1CCN(C)C(=O)C1 ZINC000547785926 325397940 /nfs/dbraw/zinc/39/79/40/325397940.db2.gz FTUXSSGBGIDLRX-NSHDSACASA-N 1 2 244.291 -0.926 20 0 BBADLO CCN(CCO)C(=O)Cc1c[nH+]cn1C ZINC000547863338 325409764 /nfs/dbraw/zinc/40/97/64/325409764.db2.gz ZUILWGUFZGYTKM-UHFFFAOYSA-N 1 2 211.265 -0.197 20 0 BBADLO CCOC(=O)CNC(=O)Cc1c[nH+]cn1C ZINC000547926708 325411817 /nfs/dbraw/zinc/41/18/17/325411817.db2.gz CRKJSQLLOKTJIT-UHFFFAOYSA-N 1 2 225.248 -0.358 20 0 BBADLO CC(C)(CO)C(=O)N1CC[NH+](CCO)CC1 ZINC000547927040 325412056 /nfs/dbraw/zinc/41/20/56/325412056.db2.gz CVFMGIQRAWUVLX-UHFFFAOYSA-N 1 2 230.308 -0.859 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(C)(C)CO ZINC000547927342 325412342 /nfs/dbraw/zinc/41/23/42/325412342.db2.gz CYWGCDZHDNYZPJ-JTQLQIEISA-N 1 2 244.335 -0.158 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(C)(C)CO ZINC000547927343 325412350 /nfs/dbraw/zinc/41/23/50/325412350.db2.gz CYWGCDZHDNYZPJ-SNVBAGLBSA-N 1 2 244.335 -0.158 20 0 BBADLO COC(=O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC000547927484 325412456 /nfs/dbraw/zinc/41/24/56/325412456.db2.gz UVSCWAGPPUUPAR-UHFFFAOYSA-N 1 2 225.248 -0.406 20 0 BBADLO O[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)CC12CC2 ZINC000547970414 388499467 /nfs/dbraw/zinc/49/94/67/388499467.db2.gz CMHXGMLATFEQPV-SECBINFHSA-N 1 2 235.291 -0.035 20 0 BBADLO O[C@@H]1C[N@H+](Cc2nnnn2C2CC2)CC12CC2 ZINC000547970414 388499465 /nfs/dbraw/zinc/49/94/65/388499465.db2.gz CMHXGMLATFEQPV-SECBINFHSA-N 1 2 235.291 -0.035 20 0 BBADLO O[C@H]1C[N@@H+](Cc2nnnn2C2CC2)CC12CC2 ZINC000547970415 388499455 /nfs/dbraw/zinc/49/94/55/388499455.db2.gz CMHXGMLATFEQPV-VIFPVBQESA-N 1 2 235.291 -0.035 20 0 BBADLO O[C@H]1C[N@H+](Cc2nnnn2C2CC2)CC12CC2 ZINC000547970415 388499451 /nfs/dbraw/zinc/49/94/51/388499451.db2.gz CMHXGMLATFEQPV-VIFPVBQESA-N 1 2 235.291 -0.035 20 0 BBADLO Cn1cc(C[N@H+]2C[C@@H](O)C3(CC3)C2)nn1 ZINC000547989425 388500958 /nfs/dbraw/zinc/50/09/58/388500958.db2.gz BWABPTTUMDBADM-SECBINFHSA-N 1 2 208.265 -0.228 20 0 BBADLO Cn1cc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)nn1 ZINC000547989425 388500955 /nfs/dbraw/zinc/50/09/55/388500955.db2.gz BWABPTTUMDBADM-SECBINFHSA-N 1 2 208.265 -0.228 20 0 BBADLO Cn1cc(C[N@H+]2C[C@H](O)C3(CC3)C2)nn1 ZINC000547989426 388501312 /nfs/dbraw/zinc/50/13/12/388501312.db2.gz BWABPTTUMDBADM-VIFPVBQESA-N 1 2 208.265 -0.228 20 0 BBADLO Cn1cc(C[N@@H+]2C[C@H](O)C3(CC3)C2)nn1 ZINC000547989426 388501311 /nfs/dbraw/zinc/50/13/11/388501311.db2.gz BWABPTTUMDBADM-VIFPVBQESA-N 1 2 208.265 -0.228 20 0 BBADLO O=S(=O)(NC1CC1)N1CC[NH+](C2CC2)CC1 ZINC000548123214 323464540 /nfs/dbraw/zinc/46/45/40/323464540.db2.gz FUZPOMROOJOWEF-UHFFFAOYSA-N 1 2 245.348 -0.237 20 0 BBADLO COC(=O)CCNC(=O)Cc1c[nH+]cn1C ZINC000548191323 325440130 /nfs/dbraw/zinc/44/01/30/325440130.db2.gz WDQWWUSGKHFPTR-UHFFFAOYSA-N 1 2 225.248 -0.358 20 0 BBADLO Cn1ccc(NC(=O)Cc2c[nH+]cn2C)n1 ZINC000548191814 411838155 /nfs/dbraw/zinc/83/81/55/411838155.db2.gz OQNOIQQPALZSBA-UHFFFAOYSA-N 1 2 219.248 0.335 20 0 BBADLO Cn1c[nH+]cc1CC(=O)N1CCOCC1 ZINC000548191906 325440141 /nfs/dbraw/zinc/44/01/41/325440141.db2.gz HKJSALOBFAFDGD-UHFFFAOYSA-N 1 2 209.249 -0.179 20 0 BBADLO Cn1c[nH+]cc1CC(=O)Nc1cc[nH]n1 ZINC000548191942 412159852 /nfs/dbraw/zinc/15/98/52/412159852.db2.gz PFTUTLMFAOOIIB-UHFFFAOYSA-N 1 2 205.221 0.324 20 0 BBADLO COC(=O)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000548192327 388521170 /nfs/dbraw/zinc/52/11/70/388521170.db2.gz ZFWAODDPJNUQBR-ZETCQYMHSA-N 1 2 225.248 -0.360 20 0 BBADLO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000548211807 325441526 /nfs/dbraw/zinc/44/15/26/325441526.db2.gz FDJGANNWFQXHGH-HTQZYQBOSA-N 1 2 242.279 -0.206 20 0 BBADLO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000548211809 388521724 /nfs/dbraw/zinc/52/17/24/388521724.db2.gz FDJGANNWFQXHGH-JGVFFNPUSA-N 1 2 242.279 -0.206 20 0 BBADLO CCO[C@H]1COCC[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000548211810 325441568 /nfs/dbraw/zinc/44/15/68/325441568.db2.gz FDJGANNWFQXHGH-SFYZADRCSA-N 1 2 242.279 -0.206 20 0 BBADLO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000548211812 325441643 /nfs/dbraw/zinc/44/16/43/325441643.db2.gz FDJGANNWFQXHGH-YUMQZZPRSA-N 1 2 242.279 -0.206 20 0 BBADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1CO ZINC000548257353 325442682 /nfs/dbraw/zinc/44/26/82/325442682.db2.gz DMSDHRISNGHNBB-SECBINFHSA-N 1 2 223.276 -0.054 20 0 BBADLO O=C(CN1CN=NC1=O)N1CC(n2cc[nH+]c2)C1 ZINC000548367861 325451190 /nfs/dbraw/zinc/45/11/90/325451190.db2.gz XYUZANVQAAARBB-UHFFFAOYSA-N 1 2 248.246 -0.736 20 0 BBADLO Cn1c[nH+]cc1CC(=O)N1CC(=O)N(C2CC2)C1 ZINC000548401935 388534144 /nfs/dbraw/zinc/53/41/44/388534144.db2.gz KCJOUPGSHDRYKK-UHFFFAOYSA-N 1 2 248.286 -0.247 20 0 BBADLO CC(C)(CO)C(=O)NCC[NH+]1CCOCC1 ZINC000548583350 388547405 /nfs/dbraw/zinc/54/74/05/388547405.db2.gz ZKWSUDJNVMRFST-UHFFFAOYSA-N 1 2 230.308 -0.547 20 0 BBADLO Cn1c[nH+]cc1CC(=O)NCC1(O)CCC1 ZINC000548584804 398137787 /nfs/dbraw/zinc/13/77/87/398137787.db2.gz MCSRJDLPIQNVHA-UHFFFAOYSA-N 1 2 223.276 -0.006 20 0 BBADLO COC(=O)C1(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC000548585697 325467667 /nfs/dbraw/zinc/46/76/67/325467667.db2.gz XZWPQGTXBROVPS-UHFFFAOYSA-N 1 2 237.259 -0.216 20 0 BBADLO O=C(C[N@@H+]1C[C@@H](O)C2(CC2)C1)Nc1ccncc1 ZINC000548626778 388549089 /nfs/dbraw/zinc/54/90/89/388549089.db2.gz ZSOAVEDDRQCUSF-LLVKDONJSA-N 1 2 247.298 -0.101 20 0 BBADLO O=C(C[N@H+]1C[C@@H](O)C2(CC2)C1)Nc1ccncc1 ZINC000548626778 388549087 /nfs/dbraw/zinc/54/90/87/388549087.db2.gz ZSOAVEDDRQCUSF-LLVKDONJSA-N 1 2 247.298 -0.101 20 0 BBADLO O=C(C[N@@H+]1C[C@H](O)C2(CC2)C1)Nc1ccncc1 ZINC000548626779 388549942 /nfs/dbraw/zinc/54/99/42/388549942.db2.gz ZSOAVEDDRQCUSF-NSHDSACASA-N 1 2 247.298 -0.101 20 0 BBADLO O=C(C[N@H+]1C[C@H](O)C2(CC2)C1)Nc1ccncc1 ZINC000548626779 388549939 /nfs/dbraw/zinc/54/99/39/388549939.db2.gz ZSOAVEDDRQCUSF-NSHDSACASA-N 1 2 247.298 -0.101 20 0 BBADLO CC(=O)N1CC[NH+](CCNc2cccnn2)CC1 ZINC000548744472 412155535 /nfs/dbraw/zinc/15/55/35/412155535.db2.gz CQEVFDWDHSWTMZ-UHFFFAOYSA-N 1 2 249.318 0.053 20 0 BBADLO COC(=O)C[N@@H+](CC1(CO)COC1)C1CC1 ZINC000548754907 388556869 /nfs/dbraw/zinc/55/68/69/388556869.db2.gz XRFRMNFUZZSMHJ-UHFFFAOYSA-N 1 2 229.276 -0.367 20 0 BBADLO COC(=O)C[N@H+](CC1(CO)COC1)C1CC1 ZINC000548754907 388556867 /nfs/dbraw/zinc/55/68/67/388556867.db2.gz XRFRMNFUZZSMHJ-UHFFFAOYSA-N 1 2 229.276 -0.367 20 0 BBADLO O=C(Cn1cc[nH+]c1)N1CCN(C2CC2)C(=O)C1 ZINC000548810307 325486249 /nfs/dbraw/zinc/48/62/49/325486249.db2.gz DWIUKVNICCIXJP-UHFFFAOYSA-N 1 2 248.286 -0.284 20 0 BBADLO CNC(=O)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC000548896832 325491981 /nfs/dbraw/zinc/49/19/81/325491981.db2.gz FTCQXEFEDPZCIL-UHFFFAOYSA-N 1 2 238.291 -0.132 20 0 BBADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000549408685 388578369 /nfs/dbraw/zinc/57/83/69/388578369.db2.gz IUTWXIRPKRYVDB-YFKPBYRVSA-N 1 2 237.206 -0.505 20 0 BBADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000549408685 388578366 /nfs/dbraw/zinc/57/83/66/388578366.db2.gz IUTWXIRPKRYVDB-YFKPBYRVSA-N 1 2 237.206 -0.505 20 0 BBADLO CCn1nncc1C(=O)NCCn1cc[nH+]c1 ZINC000549743971 388589749 /nfs/dbraw/zinc/58/97/49/388589749.db2.gz MNKIOLYOZXJEBL-UHFFFAOYSA-N 1 2 234.263 -0.076 20 0 BBADLO CC(=O)NCC[N@@H+](C)CCCS(C)(=O)=O ZINC000551032291 388620221 /nfs/dbraw/zinc/62/02/21/388620221.db2.gz UTVNZJIYMPWIAC-UHFFFAOYSA-N 1 2 236.337 -0.511 20 0 BBADLO CC(=O)NCC[N@H+](C)CCCS(C)(=O)=O ZINC000551032291 388620218 /nfs/dbraw/zinc/62/02/18/388620218.db2.gz UTVNZJIYMPWIAC-UHFFFAOYSA-N 1 2 236.337 -0.511 20 0 BBADLO Cn1cc[nH+]c1CNS(=O)(=O)N1CCC1 ZINC000551984588 322831911 /nfs/dbraw/zinc/83/19/11/322831911.db2.gz BENYYJCJBSGUOL-UHFFFAOYSA-N 1 2 230.293 -0.540 20 0 BBADLO CC(=O)NCC[N@H+](C)CC(=O)NC(C)(C)C ZINC000551990425 388654105 /nfs/dbraw/zinc/65/41/05/388654105.db2.gz ZTIZVTISRZRVQL-UHFFFAOYSA-N 1 2 229.324 -0.031 20 0 BBADLO CC(=O)NCC[N@@H+](C)CC(=O)NC(C)(C)C ZINC000551990425 388654104 /nfs/dbraw/zinc/65/41/04/388654104.db2.gz ZTIZVTISRZRVQL-UHFFFAOYSA-N 1 2 229.324 -0.031 20 0 BBADLO CC(=O)NCC[N@H+](C)CC(=O)NC1CC1 ZINC000551992406 388654413 /nfs/dbraw/zinc/65/44/13/388654413.db2.gz YMCZRPANCFQZQI-UHFFFAOYSA-N 1 2 213.281 -0.667 20 0 BBADLO CC(=O)NCC[N@@H+](C)CC(=O)NC1CC1 ZINC000551992406 388654412 /nfs/dbraw/zinc/65/44/12/388654412.db2.gz YMCZRPANCFQZQI-UHFFFAOYSA-N 1 2 213.281 -0.667 20 0 BBADLO CN(CC1CC1)C(=O)C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000552006431 388656722 /nfs/dbraw/zinc/65/67/22/388656722.db2.gz ZICQYXQDQQQVBB-GHMZBOCLSA-N 1 2 242.319 -0.454 20 0 BBADLO CN(CC1CC1)C(=O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000552006431 388656720 /nfs/dbraw/zinc/65/67/20/388656720.db2.gz ZICQYXQDQQQVBB-GHMZBOCLSA-N 1 2 242.319 -0.454 20 0 BBADLO Cc1nc(N)c(CNC(=O)[C@@H]2CCOC2)c[nH+]1 ZINC000552018680 411986586 /nfs/dbraw/zinc/98/65/86/411986586.db2.gz RWKKDRDKEJOPGN-MRVPVSSYSA-N 1 2 236.275 0.020 20 0 BBADLO Cc1nc(N)c(CNC(=O)[C@H]2CCOC2)c[nH+]1 ZINC000552018681 411985097 /nfs/dbraw/zinc/98/50/97/411985097.db2.gz RWKKDRDKEJOPGN-QMMMGPOBSA-N 1 2 236.275 0.020 20 0 BBADLO Cc1nc(N)c(CNC(=O)[C@@H]2CCCO2)c[nH+]1 ZINC000552018715 411985986 /nfs/dbraw/zinc/98/59/86/411985986.db2.gz WHBVNOFNLUPJRO-VIFPVBQESA-N 1 2 236.275 0.162 20 0 BBADLO Cc1nc(N)c(CNC(=O)c2cnccn2)c[nH+]1 ZINC000552018943 411915160 /nfs/dbraw/zinc/91/51/60/411915160.db2.gz RYZDENJSOWSXEF-UHFFFAOYSA-N 1 2 244.258 0.087 20 0 BBADLO CCCNC(=O)C[N@@H+](C)CCNC(C)=O ZINC000552083862 388668614 /nfs/dbraw/zinc/66/86/14/388668614.db2.gz PQFXUKPHVZJASB-UHFFFAOYSA-N 1 2 215.297 -0.420 20 0 BBADLO CCCNC(=O)C[N@H+](C)CCNC(C)=O ZINC000552083862 388668612 /nfs/dbraw/zinc/66/86/12/388668612.db2.gz PQFXUKPHVZJASB-UHFFFAOYSA-N 1 2 215.297 -0.420 20 0 BBADLO Cn1[nH]c(C[N@@H+](C)[C@@H]2CCCOC2)nc1=O ZINC000552092285 388668746 /nfs/dbraw/zinc/66/87/46/388668746.db2.gz MOKOLHRPYDMYRY-MRVPVSSYSA-N 1 2 226.280 -0.281 20 0 BBADLO Cn1[nH]c(C[N@H+](C)[C@@H]2CCCOC2)nc1=O ZINC000552092285 388668743 /nfs/dbraw/zinc/66/87/43/388668743.db2.gz MOKOLHRPYDMYRY-MRVPVSSYSA-N 1 2 226.280 -0.281 20 0 BBADLO Cn1[nH]c(C[N@@H+](C)[C@H]2CCCOC2)nc1=O ZINC000552092286 388668784 /nfs/dbraw/zinc/66/87/84/388668784.db2.gz MOKOLHRPYDMYRY-QMMMGPOBSA-N 1 2 226.280 -0.281 20 0 BBADLO Cn1[nH]c(C[N@H+](C)[C@H]2CCCOC2)nc1=O ZINC000552092286 388668782 /nfs/dbraw/zinc/66/87/82/388668782.db2.gz MOKOLHRPYDMYRY-QMMMGPOBSA-N 1 2 226.280 -0.281 20 0 BBADLO Cc1ccnc(C[N@H+](C)[C@@H]2COC[C@H]2O)n1 ZINC000552144884 388673548 /nfs/dbraw/zinc/67/35/48/388673548.db2.gz JXZDPGGRPKOVQF-NXEZZACHSA-N 1 2 223.276 -0.023 20 0 BBADLO Cc1ccnc(C[N@@H+](C)[C@@H]2COC[C@H]2O)n1 ZINC000552144884 388673545 /nfs/dbraw/zinc/67/35/45/388673545.db2.gz JXZDPGGRPKOVQF-NXEZZACHSA-N 1 2 223.276 -0.023 20 0 BBADLO CCCCn1nnnc1C[N@@H+](C)CCC(N)=O ZINC000552212149 388681288 /nfs/dbraw/zinc/68/12/88/388681288.db2.gz YXLZBSFQFOEBAH-UHFFFAOYSA-N 1 2 240.311 -0.220 20 0 BBADLO CCCCn1nnnc1C[N@H+](C)CCC(N)=O ZINC000552212149 388681287 /nfs/dbraw/zinc/68/12/87/388681287.db2.gz YXLZBSFQFOEBAH-UHFFFAOYSA-N 1 2 240.311 -0.220 20 0 BBADLO Cc1[nH]c(C(=O)NCCNc2ccn(C)n2)c[nH+]1 ZINC000552304092 411784065 /nfs/dbraw/zinc/78/40/65/411784065.db2.gz FLVIJKZHNGSBSQ-UHFFFAOYSA-N 1 2 248.290 0.294 20 0 BBADLO CCn1nncc1C(=O)NCc1c[nH+]cn1C ZINC000552363631 325625578 /nfs/dbraw/zinc/62/55/78/325625578.db2.gz CRWMWFPIBUATAA-UHFFFAOYSA-N 1 2 234.263 -0.039 20 0 BBADLO Cn1nnnc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000552678318 388735407 /nfs/dbraw/zinc/73/54/07/388735407.db2.gz BEDONUQQMHEYNJ-UHFFFAOYSA-N 1 2 219.252 -0.509 20 0 BBADLO Cn1nnnc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000552678318 388735406 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/nfs/dbraw/zinc/84/70/29/388847029.db2.gz AXPXBNJBTAFXME-VIFPVBQESA-N 1 2 231.292 -0.121 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+](C)CC1(CO)COC1 ZINC000555340915 388847026 /nfs/dbraw/zinc/84/70/26/388847026.db2.gz AXPXBNJBTAFXME-VIFPVBQESA-N 1 2 231.292 -0.121 20 0 BBADLO Cn1cc(C[NH2+]CC(C)(F)F)c(=O)n(C)c1=O ZINC000555609298 325764487 /nfs/dbraw/zinc/76/44/87/325764487.db2.gz PTQDARGGPBHYQJ-UHFFFAOYSA-N 1 2 247.245 -0.171 20 0 BBADLO CC(C)(C(=O)N1CC(O)C1)c1c[nH+]c[nH]1 ZINC000555733903 384972326 /nfs/dbraw/zinc/97/23/26/384972326.db2.gz KNWGIXSRLFKBAS-UHFFFAOYSA-N 1 2 209.249 -0.110 20 0 BBADLO COC(=O)C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000555877663 384975631 /nfs/dbraw/zinc/97/56/31/384975631.db2.gz DTVBHJCYDFVPLX-MRVPVSSYSA-N 1 2 214.265 -0.288 20 0 BBADLO COC(=O)C[N@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000555877663 384975622 /nfs/dbraw/zinc/97/56/22/384975622.db2.gz DTVBHJCYDFVPLX-MRVPVSSYSA-N 1 2 214.265 -0.288 20 0 BBADLO COC(=O)C[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000555877677 384976115 /nfs/dbraw/zinc/97/61/15/384976115.db2.gz DTVBHJCYDFVPLX-QMMMGPOBSA-N 1 2 214.265 -0.288 20 0 BBADLO COC(=O)C[N@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000555877677 384976112 /nfs/dbraw/zinc/97/61/12/384976112.db2.gz DTVBHJCYDFVPLX-QMMMGPOBSA-N 1 2 214.265 -0.288 20 0 BBADLO O=C(CO)N1CC[NH+](CC2(F)CC2)CC1 ZINC000556617259 384439311 /nfs/dbraw/zinc/43/93/11/384439311.db2.gz ZJTBFZADPXHRIU-UHFFFAOYSA-N 1 2 216.256 -0.375 20 0 BBADLO CC(=O)NCC[N@H+](C)CC(=O)NC(C)C ZINC000556667705 384447813 /nfs/dbraw/zinc/44/78/13/384447813.db2.gz RSNPQXZTLTUTAR-UHFFFAOYSA-N 1 2 215.297 -0.421 20 0 BBADLO CC(=O)NCC[N@@H+](C)CC(=O)NC(C)C ZINC000556667705 384447811 /nfs/dbraw/zinc/44/78/11/384447811.db2.gz RSNPQXZTLTUTAR-UHFFFAOYSA-N 1 2 215.297 -0.421 20 0 BBADLO COC(=O)C1(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000556714936 384462294 /nfs/dbraw/zinc/46/22/94/384462294.db2.gz DUTNCLODSVYZJR-UHFFFAOYSA-N 1 2 223.232 -0.295 20 0 BBADLO O=C(Cn1cc[nH+]c1)N1CCN2C(=O)CC[C@H]2C1 ZINC000556716420 322920015 /nfs/dbraw/zinc/92/00/15/322920015.db2.gz DCHRBXFIYYMVMQ-JTQLQIEISA-N 1 2 248.286 -0.284 20 0 BBADLO O=C(Cn1cc[nH+]c1)N1CCN2C(=O)CC[C@@H]2C1 ZINC000556716421 384459798 /nfs/dbraw/zinc/45/97/98/384459798.db2.gz DCHRBXFIYYMVMQ-SNVBAGLBSA-N 1 2 248.286 -0.284 20 0 BBADLO Cc1cc(NC(=O)NCCn2ncnn2)cc[nH+]1 ZINC000556769304 384478374 /nfs/dbraw/zinc/47/83/74/384478374.db2.gz RURSLHAJSKWQMB-UHFFFAOYSA-N 1 2 247.262 -0.380 20 0 BBADLO CNS(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000556817260 384503071 /nfs/dbraw/zinc/50/30/71/384503071.db2.gz BBSDQHXEDQHWIM-UHFFFAOYSA-N 1 2 232.309 -0.283 20 0 BBADLO CC(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC000556822355 384509623 /nfs/dbraw/zinc/50/96/23/384509623.db2.gz FBIMBFVVDLILGF-UHFFFAOYSA-N 1 2 201.270 -0.858 20 0 BBADLO CC(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC000556822355 384509620 /nfs/dbraw/zinc/50/96/20/384509620.db2.gz FBIMBFVVDLILGF-UHFFFAOYSA-N 1 2 201.270 -0.858 20 0 BBADLO Cc1nc(N)c(CNC(=O)c2cnc[nH]2)c[nH+]1 ZINC000556841643 411915404 /nfs/dbraw/zinc/91/54/04/411915404.db2.gz FNFXONDELLDAET-UHFFFAOYSA-N 1 2 232.247 0.020 20 0 BBADLO Cc1nc(N)c(CNC(=O)c2cn(C)cn2)c[nH+]1 ZINC000556842009 411914399 /nfs/dbraw/zinc/91/43/99/411914399.db2.gz NGVFUBIHYRLPKX-UHFFFAOYSA-N 1 2 246.274 0.031 20 0 BBADLO Cc1nc(N)c(CNC(=O)c2ccn[nH]2)c[nH+]1 ZINC000556842017 411914135 /nfs/dbraw/zinc/91/41/35/411914135.db2.gz NRCGUMGGUKHKIM-UHFFFAOYSA-N 1 2 232.247 0.020 20 0 BBADLO Cc1nc(N)c(CNC(=O)[C@H]2CCCO2)c[nH+]1 ZINC000556842208 411986186 /nfs/dbraw/zinc/98/61/86/411986186.db2.gz WHBVNOFNLUPJRO-SECBINFHSA-N 1 2 236.275 0.162 20 0 BBADLO CCN(CC)C(=O)C[N@@H+](C)CCNC(C)=O ZINC000557244144 384892777 /nfs/dbraw/zinc/89/27/77/384892777.db2.gz LMRNIPRKKBESBP-UHFFFAOYSA-N 1 2 229.324 -0.077 20 0 BBADLO CCN(CC)C(=O)C[N@H+](C)CCNC(C)=O ZINC000557244144 384892771 /nfs/dbraw/zinc/89/27/71/384892771.db2.gz LMRNIPRKKBESBP-UHFFFAOYSA-N 1 2 229.324 -0.077 20 0 BBADLO CN(CC(=O)NC1CC1)C(=O)Cn1cc[nH+]c1 ZINC000557446548 384947618 /nfs/dbraw/zinc/94/76/18/384947618.db2.gz UHIASHGDKNJYGT-UHFFFAOYSA-N 1 2 236.275 -0.380 20 0 BBADLO CN(CCO)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000557485298 384966129 /nfs/dbraw/zinc/96/61/29/384966129.db2.gz FQWWIYRAZOAXGG-SECBINFHSA-N 1 2 223.276 -0.104 20 0 BBADLO CN(CCO)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000557485299 322937946 /nfs/dbraw/zinc/93/79/46/322937946.db2.gz FQWWIYRAZOAXGG-VIFPVBQESA-N 1 2 223.276 -0.104 20 0 BBADLO C[C@H](CO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000557515430 384996955 /nfs/dbraw/zinc/99/69/55/384996955.db2.gz XJHZVWAVTWZCDX-MRVPVSSYSA-N 1 2 200.282 -0.175 20 0 BBADLO C[C@@H](CO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000557515431 322938642 /nfs/dbraw/zinc/93/86/42/322938642.db2.gz XJHZVWAVTWZCDX-QMMMGPOBSA-N 1 2 200.282 -0.175 20 0 BBADLO C[C@@H](O)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000557581732 322939514 /nfs/dbraw/zinc/93/95/14/322939514.db2.gz NLWMQRGTTUSVTL-AXFHLTTASA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H](O)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000557582141 385022475 /nfs/dbraw/zinc/02/24/75/385022475.db2.gz NLWMQRGTTUSVTL-GMTAPVOTSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H](O)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000557582142 322939566 /nfs/dbraw/zinc/93/95/66/322939566.db2.gz NLWMQRGTTUSVTL-HBNTYKKESA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H](O)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000557582143 322939511 /nfs/dbraw/zinc/93/95/11/322939511.db2.gz NLWMQRGTTUSVTL-MXWKQRLJSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H](C(=O)N1CCS(=O)CC1)[NH+]1CC(C)C1 ZINC000557594383 385031358 /nfs/dbraw/zinc/03/13/58/385031358.db2.gz BMTIZPFIVWZLHW-JTQLQIEISA-N 1 2 244.360 -0.083 20 0 BBADLO C[C@H](C(=O)N1CCS(=O)CC1)[NH+]1CC(C)C1 ZINC000557594385 385030606 /nfs/dbraw/zinc/03/06/06/385030606.db2.gz BMTIZPFIVWZLHW-SNVBAGLBSA-N 1 2 244.360 -0.083 20 0 BBADLO Cc1ncc2c(n1)CC[N@H+](Cc1nnn(C)n1)C2 ZINC000557672381 385087218 /nfs/dbraw/zinc/08/72/18/385087218.db2.gz VUHKEYFVEJNEPI-UHFFFAOYSA-N 1 2 245.290 -0.133 20 0 BBADLO Cc1ncc2c(n1)CC[N@@H+](Cc1nnn(C)n1)C2 ZINC000557672381 385087211 /nfs/dbraw/zinc/08/72/11/385087211.db2.gz VUHKEYFVEJNEPI-UHFFFAOYSA-N 1 2 245.290 -0.133 20 0 BBADLO O=C(CNC(=O)Cn1cc[nH+]c1)NCC1CC1 ZINC000558420765 383997598 /nfs/dbraw/zinc/99/75/98/383997598.db2.gz ZCMLTZARYSQTHF-UHFFFAOYSA-N 1 2 236.275 -0.475 20 0 BBADLO COC1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000558530030 322951480 /nfs/dbraw/zinc/95/14/80/322951480.db2.gz RUCHFMRMNGHAAD-UHFFFAOYSA-N 1 2 209.249 -0.180 20 0 BBADLO Cn1c[nH+]cc1CC(=O)N1CCN(C)C(=O)C1 ZINC000558556884 322951874 /nfs/dbraw/zinc/95/18/74/322951874.db2.gz URLOTXNTSLQIST-UHFFFAOYSA-N 1 2 236.275 -0.737 20 0 BBADLO NC(=O)c1cncc(N2CCn3c[nH+]cc3C2)n1 ZINC000558599827 384194483 /nfs/dbraw/zinc/19/44/83/384194483.db2.gz ZUPYZCKYVGPMNW-UHFFFAOYSA-N 1 2 244.258 -0.208 20 0 BBADLO C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)CC(=O)N1C ZINC000558627207 384223887 /nfs/dbraw/zinc/22/38/87/384223887.db2.gz CONGFCWUVCAMHD-NXEZZACHSA-N 1 2 239.319 -0.230 20 0 BBADLO C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)CC(=O)N1C ZINC000558627207 384223882 /nfs/dbraw/zinc/22/38/82/384223882.db2.gz CONGFCWUVCAMHD-NXEZZACHSA-N 1 2 239.319 -0.230 20 0 BBADLO C[C@H]1C[N@H+]([C@H]2CCCN(C)C2=O)CC(=O)N1C ZINC000558627208 384224292 /nfs/dbraw/zinc/22/42/92/384224292.db2.gz CONGFCWUVCAMHD-UWVGGRQHSA-N 1 2 239.319 -0.230 20 0 BBADLO C[C@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)CC(=O)N1C ZINC000558627208 384224287 /nfs/dbraw/zinc/22/42/87/384224287.db2.gz CONGFCWUVCAMHD-UWVGGRQHSA-N 1 2 239.319 -0.230 20 0 BBADLO C[C@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)CC(=O)N1C ZINC000558627209 384223838 /nfs/dbraw/zinc/22/38/38/384223838.db2.gz CONGFCWUVCAMHD-VHSXEESVSA-N 1 2 239.319 -0.230 20 0 BBADLO C[C@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)CC(=O)N1C ZINC000558627209 384223835 /nfs/dbraw/zinc/22/38/35/384223835.db2.gz CONGFCWUVCAMHD-VHSXEESVSA-N 1 2 239.319 -0.230 20 0 BBADLO C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)CC(=O)N1C ZINC000558627210 384224037 /nfs/dbraw/zinc/22/40/37/384224037.db2.gz CONGFCWUVCAMHD-ZJUUUORDSA-N 1 2 239.319 -0.230 20 0 BBADLO C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)CC(=O)N1C ZINC000558627210 384224036 /nfs/dbraw/zinc/22/40/36/384224036.db2.gz CONGFCWUVCAMHD-ZJUUUORDSA-N 1 2 239.319 -0.230 20 0 BBADLO C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)CC(=O)N1C ZINC000558627763 384223261 /nfs/dbraw/zinc/22/32/61/384223261.db2.gz OMPGFTLMQLGOOB-BDAKNGLRSA-N 1 2 225.292 -0.573 20 0 BBADLO C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)CC(=O)N1C ZINC000558627763 384223254 /nfs/dbraw/zinc/22/32/54/384223254.db2.gz OMPGFTLMQLGOOB-BDAKNGLRSA-N 1 2 225.292 -0.573 20 0 BBADLO C[C@H]1C[N@H+]([C@@H]2CCCNC2=O)CC(=O)N1C ZINC000558627767 384224432 /nfs/dbraw/zinc/22/44/32/384224432.db2.gz OMPGFTLMQLGOOB-DTWKUNHWSA-N 1 2 225.292 -0.573 20 0 BBADLO C[C@H]1C[N@@H+]([C@@H]2CCCNC2=O)CC(=O)N1C ZINC000558627767 384224426 /nfs/dbraw/zinc/22/44/26/384224426.db2.gz OMPGFTLMQLGOOB-DTWKUNHWSA-N 1 2 225.292 -0.573 20 0 BBADLO C[C@H]1C[N@H+]([C@H]2CCCNC2=O)CC(=O)N1C ZINC000558627768 384224333 /nfs/dbraw/zinc/22/43/33/384224333.db2.gz OMPGFTLMQLGOOB-IUCAKERBSA-N 1 2 225.292 -0.573 20 0 BBADLO C[C@H]1C[N@@H+]([C@H]2CCCNC2=O)CC(=O)N1C ZINC000558627768 384224330 /nfs/dbraw/zinc/22/43/30/384224330.db2.gz OMPGFTLMQLGOOB-IUCAKERBSA-N 1 2 225.292 -0.573 20 0 BBADLO C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)CC(=O)N1C ZINC000558627770 384223208 /nfs/dbraw/zinc/22/32/08/384223208.db2.gz OMPGFTLMQLGOOB-RKDXNWHRSA-N 1 2 225.292 -0.573 20 0 BBADLO C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)CC(=O)N1C ZINC000558627770 384223200 /nfs/dbraw/zinc/22/32/00/384223200.db2.gz OMPGFTLMQLGOOB-RKDXNWHRSA-N 1 2 225.292 -0.573 20 0 BBADLO Cn1cc(OCC(=O)NCCn2cc[nH+]c2)cn1 ZINC000558633452 384225670 /nfs/dbraw/zinc/22/56/70/384225670.db2.gz CFCBAFHOGGIBAY-UHFFFAOYSA-N 1 2 249.274 -0.188 20 0 BBADLO O=C(Cn1cc[nH+]c1)NCCN1CCOCC1 ZINC000558642878 384231336 /nfs/dbraw/zinc/23/13/36/384231336.db2.gz QWRCCYXMMPBDSZ-UHFFFAOYSA-N 1 2 238.291 -0.669 20 0 BBADLO O=C1C[N@@H+]([C@@H]2COC[C@H]2O)CCN1C1CC1 ZINC000558657216 398186258 /nfs/dbraw/zinc/18/62/58/398186258.db2.gz OWASJIINORUYOJ-NXEZZACHSA-N 1 2 226.276 -0.947 20 0 BBADLO O=C1C[N@H+]([C@@H]2COC[C@H]2O)CCN1C1CC1 ZINC000558657216 398186252 /nfs/dbraw/zinc/18/62/52/398186252.db2.gz OWASJIINORUYOJ-NXEZZACHSA-N 1 2 226.276 -0.947 20 0 BBADLO O=C1C[N@@H+]([C@H]2COC[C@H]2O)CCN1C1CC1 ZINC000558657217 398186115 /nfs/dbraw/zinc/18/61/15/398186115.db2.gz OWASJIINORUYOJ-VHSXEESVSA-N 1 2 226.276 -0.947 20 0 BBADLO O=C1C[N@H+]([C@H]2COC[C@H]2O)CCN1C1CC1 ZINC000558657217 398186112 /nfs/dbraw/zinc/18/61/12/398186112.db2.gz OWASJIINORUYOJ-VHSXEESVSA-N 1 2 226.276 -0.947 20 0 BBADLO COC(=O)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC000558687043 398195240 /nfs/dbraw/zinc/19/52/40/398195240.db2.gz TVRSIIKPFAKPDH-MRVPVSSYSA-N 1 2 225.248 -0.192 20 0 BBADLO COC(=O)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC000558687044 322953605 /nfs/dbraw/zinc/95/36/05/322953605.db2.gz TVRSIIKPFAKPDH-QMMMGPOBSA-N 1 2 225.248 -0.192 20 0 BBADLO Cn1[nH]c(C[N@H+]2CC[C@H](OC(F)F)C2)nc1=O ZINC000558864340 491124982 /nfs/dbraw/zinc/12/49/82/491124982.db2.gz RRUKIOFSYDYEFY-LURJTMIESA-N 1 2 248.233 -0.078 20 0 BBADLO Cn1[nH]c(C[N@@H+]2CC[C@H](OC(F)F)C2)nc1=O ZINC000558864340 491124981 /nfs/dbraw/zinc/12/49/81/491124981.db2.gz RRUKIOFSYDYEFY-LURJTMIESA-N 1 2 248.233 -0.078 20 0 BBADLO Cn1c[nH+]cc1CC(=O)N1CC(C)(O)C1 ZINC000558876742 322956159 /nfs/dbraw/zinc/95/61/59/322956159.db2.gz GLGFGWNONVLRKM-UHFFFAOYSA-N 1 2 209.249 -0.444 20 0 BBADLO CN1CCC[C@H]([N@H+]2CCc3nn[nH]c3C2)C1=O ZINC000559274912 384946889 /nfs/dbraw/zinc/94/68/89/384946889.db2.gz DSBIRFHJIPVSTO-JTQLQIEISA-N 1 2 235.291 -0.216 20 0 BBADLO CN1CCC[C@H]([N@@H+]2CCc3nn[nH]c3C2)C1=O ZINC000559274912 384946887 /nfs/dbraw/zinc/94/68/87/384946887.db2.gz DSBIRFHJIPVSTO-JTQLQIEISA-N 1 2 235.291 -0.216 20 0 BBADLO CN1CCC[C@@H]([N@H+]2CCc3nn[nH]c3C2)C1=O ZINC000559274915 384944705 /nfs/dbraw/zinc/94/47/05/384944705.db2.gz DSBIRFHJIPVSTO-SNVBAGLBSA-N 1 2 235.291 -0.216 20 0 BBADLO CN1CCC[C@@H]([N@@H+]2CCc3nn[nH]c3C2)C1=O ZINC000559274915 384944699 /nfs/dbraw/zinc/94/46/99/384944699.db2.gz DSBIRFHJIPVSTO-SNVBAGLBSA-N 1 2 235.291 -0.216 20 0 BBADLO O=C(C1CC1)N1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000559776061 322979776 /nfs/dbraw/zinc/97/97/76/322979776.db2.gz KSVROSLTUKDUEW-GHMZBOCLSA-N 1 2 240.303 -0.700 20 0 BBADLO O=C(C1CC1)N1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000559776062 322979734 /nfs/dbraw/zinc/97/97/34/322979734.db2.gz KSVROSLTUKDUEW-WDEREUQCSA-N 1 2 240.303 -0.700 20 0 BBADLO COC[C@H]1C[N@H+]([C@H]2COC[C@H]2O)CCO1 ZINC000559793923 385176562 /nfs/dbraw/zinc/17/65/62/385176562.db2.gz HSTWPKGLNRQEOE-KXUCPTDWSA-N 1 2 217.265 -0.907 20 0 BBADLO COC[C@H]1C[N@@H+]([C@H]2COC[C@H]2O)CCO1 ZINC000559793923 385176553 /nfs/dbraw/zinc/17/65/53/385176553.db2.gz HSTWPKGLNRQEOE-KXUCPTDWSA-N 1 2 217.265 -0.907 20 0 BBADLO COC[C@H]1C[N@H+]([C@@H]2COC[C@H]2O)CCO1 ZINC000559793925 385177461 /nfs/dbraw/zinc/17/74/61/385177461.db2.gz HSTWPKGLNRQEOE-OPRDCNLKSA-N 1 2 217.265 -0.907 20 0 BBADLO COC[C@H]1C[N@@H+]([C@@H]2COC[C@H]2O)CCO1 ZINC000559793925 385177457 /nfs/dbraw/zinc/17/74/57/385177457.db2.gz HSTWPKGLNRQEOE-OPRDCNLKSA-N 1 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CC(=O)NCC[N@@H+](C)Cc1nccn1C ZINC000560403810 384117776 /nfs/dbraw/zinc/11/77/76/384117776.db2.gz WEVBVCPFPKRVGL-UHFFFAOYSA-N 1 2 210.281 -0.012 20 0 BBADLO CC(=O)NCCN(C)Cc1[nH+]ccn1C ZINC000560403810 384117768 /nfs/dbraw/zinc/11/77/68/384117768.db2.gz WEVBVCPFPKRVGL-UHFFFAOYSA-N 1 2 210.281 -0.012 20 0 BBADLO O=S(=O)(NCCn1cc[nH+]c1)N1CCC1 ZINC000560459637 322987419 /nfs/dbraw/zinc/98/74/19/322987419.db2.gz UGILIEQNXKWLSK-UHFFFAOYSA-N 1 2 230.293 -0.577 20 0 BBADLO O=S(=O)(N1CCC1)N1CC(n2cc[nH+]c2)C1 ZINC000560470325 322988115 /nfs/dbraw/zinc/98/81/15/322988115.db2.gz CFDSIZFGQYJBSJ-UHFFFAOYSA-N 1 2 242.304 -0.310 20 0 BBADLO O=S(=O)(NCC[NH+]1CCC1)N1CCC1 ZINC000560470607 384155778 /nfs/dbraw/zinc/15/57/78/384155778.db2.gz QEBUCPCOBBBZOM-UHFFFAOYSA-N 1 2 219.310 -0.768 20 0 BBADLO C[N@@H+](CC(=O)NCC1CCC1)[C@@H]1COC[C@H]1O ZINC000560487709 384168268 /nfs/dbraw/zinc/16/82/68/384168268.db2.gz DAHDBIOLZSOPPK-GHMZBOCLSA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@H+](CC(=O)NCC1CCC1)[C@@H]1COC[C@H]1O ZINC000560487709 384168265 /nfs/dbraw/zinc/16/82/65/384168265.db2.gz DAHDBIOLZSOPPK-GHMZBOCLSA-N 1 2 242.319 -0.406 20 0 BBADLO Cc1nc(N)c(CNC(=O)c2ccnn2C)c[nH+]1 ZINC000560499518 411914532 /nfs/dbraw/zinc/91/45/32/411914532.db2.gz FXSPDWSKEYFCCZ-UHFFFAOYSA-N 1 2 246.274 0.031 20 0 BBADLO Cc1nc(N)c(CNC(=O)c2cnn(C)c2)c[nH+]1 ZINC000560501507 411914568 /nfs/dbraw/zinc/91/45/68/411914568.db2.gz BOTCZBQCDHKXKF-UHFFFAOYSA-N 1 2 246.274 0.031 20 0 BBADLO Cc1nc(N)c(CNC(=O)c2cn[nH]n2)c[nH+]1 ZINC000560501766 411914865 /nfs/dbraw/zinc/91/48/65/411914865.db2.gz ZYYUMOYXFZGXSE-UHFFFAOYSA-N 1 2 233.235 -0.585 20 0 BBADLO Cn1nnc(C[NH2+][C@@H]2CCC(=O)NC2(C)C)n1 ZINC000560990621 384437188 /nfs/dbraw/zinc/43/71/88/384437188.db2.gz JVRDXEOKOJKCID-SSDOTTSWSA-N 1 2 238.295 -0.643 20 0 BBADLO Cn1nnc(C[NH2+][C@H]2CCC(=O)NC2(C)C)n1 ZINC000560990622 384435389 /nfs/dbraw/zinc/43/53/89/384435389.db2.gz JVRDXEOKOJKCID-ZETCQYMHSA-N 1 2 238.295 -0.643 20 0 BBADLO CCCNC(=O)CNC(=O)Cn1cc[nH+]c1 ZINC000561073732 398337638 /nfs/dbraw/zinc/33/76/38/398337638.db2.gz WBFVUADAXBFIOT-UHFFFAOYSA-N 1 2 224.264 -0.475 20 0 BBADLO CCCNC(=O)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000561076125 384479272 /nfs/dbraw/zinc/47/92/72/384479272.db2.gz IRGQYUYWAXBSHH-UHFFFAOYSA-N 1 2 241.335 -0.029 20 0 BBADLO CC1(C)C[NH+](CC(=O)N2CCS(=O)CC2)C1 ZINC000561225651 398338552 /nfs/dbraw/zinc/33/85/52/398338552.db2.gz NAOHEZZFLPNQNL-UHFFFAOYSA-N 1 2 244.360 -0.081 20 0 BBADLO Cn1[nH]cnc1=NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000561290524 384629213 /nfs/dbraw/zinc/62/92/13/384629213.db2.gz GXYPIBMBTDVURK-MRVPVSSYSA-N 1 2 246.274 -0.365 20 0 BBADLO Cn1[nH]cnc1=NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000561290525 384629747 /nfs/dbraw/zinc/62/97/47/384629747.db2.gz GXYPIBMBTDVURK-QMMMGPOBSA-N 1 2 246.274 -0.365 20 0 BBADLO CC1(C)C[NH+](CC(=O)NC[C@]2(O)CCOC2)C1 ZINC000561300323 384634328 /nfs/dbraw/zinc/63/43/28/384634328.db2.gz CTXAUJKHNAYRMQ-GFCCVEGCSA-N 1 2 242.319 -0.404 20 0 BBADLO CC1(C)C[NH+](CC(=O)NC[C@@]2(O)CCOC2)C1 ZINC000561300328 322999039 /nfs/dbraw/zinc/99/90/39/322999039.db2.gz CTXAUJKHNAYRMQ-LBPRGKRZSA-N 1 2 242.319 -0.404 20 0 BBADLO CCN(CC(N)=O)C(=O)C[NH+]1CC(C)(C)C1 ZINC000561317271 384648031 /nfs/dbraw/zinc/64/80/31/384648031.db2.gz NKQPXMOWSWQRAQ-UHFFFAOYSA-N 1 2 227.308 -0.338 20 0 BBADLO COc1cc(NC(=O)Cc2c[nH+]cn2C)nn1C ZINC000561532063 411698818 /nfs/dbraw/zinc/69/88/18/411698818.db2.gz JKFSXEGBGWAAHB-UHFFFAOYSA-N 1 2 249.274 0.343 20 0 BBADLO CCc1nnc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)[nH]1 ZINC000561784317 323007055 /nfs/dbraw/zinc/00/70/55/323007055.db2.gz KIZSGPBMIZJCMX-BDAKNGLRSA-N 1 2 240.307 -0.458 20 0 BBADLO CCc1nnc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)[nH]1 ZINC000561784317 323007054 /nfs/dbraw/zinc/00/70/54/323007054.db2.gz KIZSGPBMIZJCMX-BDAKNGLRSA-N 1 2 240.307 -0.458 20 0 BBADLO CCc1nnc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)[nH]1 ZINC000561784332 323006995 /nfs/dbraw/zinc/00/69/95/323006995.db2.gz KIZSGPBMIZJCMX-DTWKUNHWSA-N 1 2 240.307 -0.458 20 0 BBADLO CCc1nnc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)[nH]1 ZINC000561784332 323006994 /nfs/dbraw/zinc/00/69/94/323006994.db2.gz KIZSGPBMIZJCMX-DTWKUNHWSA-N 1 2 240.307 -0.458 20 0 BBADLO CCc1nnc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)[nH]1 ZINC000561784340 323006986 /nfs/dbraw/zinc/00/69/86/323006986.db2.gz KIZSGPBMIZJCMX-IUCAKERBSA-N 1 2 240.307 -0.458 20 0 BBADLO CCc1nnc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)[nH]1 ZINC000561784340 323006985 /nfs/dbraw/zinc/00/69/85/323006985.db2.gz KIZSGPBMIZJCMX-IUCAKERBSA-N 1 2 240.307 -0.458 20 0 BBADLO CCc1nnc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)[nH]1 ZINC000561784343 323007028 /nfs/dbraw/zinc/00/70/28/323007028.db2.gz KIZSGPBMIZJCMX-RKDXNWHRSA-N 1 2 240.307 -0.458 20 0 BBADLO CCc1nnc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)[nH]1 ZINC000561784343 323007027 /nfs/dbraw/zinc/00/70/27/323007027.db2.gz KIZSGPBMIZJCMX-RKDXNWHRSA-N 1 2 240.307 -0.458 20 0 BBADLO C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1nnn(C)n1 ZINC000561798552 323007305 /nfs/dbraw/zinc/00/73/05/323007305.db2.gz AKEHGAFONDUVAC-IUCAKERBSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1nnn(C)n1 ZINC000561798552 323007304 /nfs/dbraw/zinc/00/73/04/323007304.db2.gz AKEHGAFONDUVAC-IUCAKERBSA-N 1 2 225.296 -0.197 20 0 BBADLO NC(=O)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC000561813419 323007357 /nfs/dbraw/zinc/00/73/57/323007357.db2.gz VJFTVMUIOZBLJL-SECBINFHSA-N 1 2 236.275 -0.251 20 0 BBADLO NC(=O)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC000561813420 323007355 /nfs/dbraw/zinc/00/73/55/323007355.db2.gz VJFTVMUIOZBLJL-VIFPVBQESA-N 1 2 236.275 -0.251 20 0 BBADLO O=C1NC[C@@H]2C[N@@H+](Cc3ncccc3O)CCN12 ZINC000561951727 323009273 /nfs/dbraw/zinc/00/92/73/323009273.db2.gz WWUFHQPAYUOOPX-SECBINFHSA-N 1 2 248.286 -0.003 20 0 BBADLO O=C1NC[C@H]2C[N@@H+](Cc3ncccc3O)CCN12 ZINC000561951730 323009330 /nfs/dbraw/zinc/00/93/30/323009330.db2.gz WWUFHQPAYUOOPX-VIFPVBQESA-N 1 2 248.286 -0.003 20 0 BBADLO COC[C@@H](O)C[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000562025612 323010635 /nfs/dbraw/zinc/01/06/35/323010635.db2.gz ICKDVTPLIZVBAD-BYYOYISRSA-N 1 2 235.349 -0.165 20 0 BBADLO COC[C@@H](O)C[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000562025612 323010634 /nfs/dbraw/zinc/01/06/34/323010634.db2.gz ICKDVTPLIZVBAD-BYYOYISRSA-N 1 2 235.349 -0.165 20 0 BBADLO COC[C@@H](O)C[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000562025613 323010664 /nfs/dbraw/zinc/01/06/64/323010664.db2.gz ICKDVTPLIZVBAD-HTQGBYLWSA-N 1 2 235.349 -0.165 20 0 BBADLO COC[C@@H](O)C[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000562025613 323010663 /nfs/dbraw/zinc/01/06/63/323010663.db2.gz ICKDVTPLIZVBAD-HTQGBYLWSA-N 1 2 235.349 -0.165 20 0 BBADLO COC[C@@H](O)C[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000562025614 323010675 /nfs/dbraw/zinc/01/06/75/323010675.db2.gz ICKDVTPLIZVBAD-OFYUCFFLSA-N 1 2 235.349 -0.165 20 0 BBADLO COC[C@@H](O)C[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000562025614 323010674 /nfs/dbraw/zinc/01/06/74/323010674.db2.gz ICKDVTPLIZVBAD-OFYUCFFLSA-N 1 2 235.349 -0.165 20 0 BBADLO COC[C@@H](O)C[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000562025615 323010610 /nfs/dbraw/zinc/01/06/10/323010610.db2.gz ICKDVTPLIZVBAD-WSHGPQCASA-N 1 2 235.349 -0.165 20 0 BBADLO COC[C@@H](O)C[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000562025615 323010609 /nfs/dbraw/zinc/01/06/09/323010609.db2.gz ICKDVTPLIZVBAD-WSHGPQCASA-N 1 2 235.349 -0.165 20 0 BBADLO O=S(=O)(N1CCC1)N1CCn2c[nH+]cc2C1 ZINC000562068089 323011494 /nfs/dbraw/zinc/01/14/94/323011494.db2.gz CNMFAGBLLDQQJJ-UHFFFAOYSA-N 1 2 242.304 -0.351 20 0 BBADLO O=C(Cn1cc[nH+]c1)NC1(CCO)CC1 ZINC000562146962 323012801 /nfs/dbraw/zinc/01/28/01/323012801.db2.gz JEXBXGLYNSVGIT-UHFFFAOYSA-N 1 2 209.249 -0.086 20 0 BBADLO CNC(=O)[C@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC000562275850 323014514 /nfs/dbraw/zinc/01/45/14/323014514.db2.gz SJMANZFSLLZYLF-SECBINFHSA-N 1 2 238.291 -0.276 20 0 BBADLO CNC(=O)[C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC000562275851 323014457 /nfs/dbraw/zinc/01/44/57/323014457.db2.gz SJMANZFSLLZYLF-VIFPVBQESA-N 1 2 238.291 -0.276 20 0 BBADLO CC(C)(C)[C@H](NC(=O)Cn1cc[nH+]c1)C(N)=O ZINC000562275941 323014511 /nfs/dbraw/zinc/01/45/11/323014511.db2.gz 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OWZJVLLOBVJSJS-NXEZZACHSA-N 1 2 228.292 -0.701 20 0 BBADLO CC(C)N1CC[N@@H+]([C@@H]2COC[C@H]2O)CC1=O ZINC000562283688 323014850 /nfs/dbraw/zinc/01/48/50/323014850.db2.gz OWZJVLLOBVJSJS-NXEZZACHSA-N 1 2 228.292 -0.701 20 0 BBADLO CC(C)N1CC[N@H+]([C@H]2COC[C@H]2O)CC1=O ZINC000562283697 323014862 /nfs/dbraw/zinc/01/48/62/323014862.db2.gz OWZJVLLOBVJSJS-VHSXEESVSA-N 1 2 228.292 -0.701 20 0 BBADLO CC(C)N1CC[N@@H+]([C@H]2COC[C@H]2O)CC1=O ZINC000562283697 323014861 /nfs/dbraw/zinc/01/48/61/323014861.db2.gz OWZJVLLOBVJSJS-VHSXEESVSA-N 1 2 228.292 -0.701 20 0 BBADLO CN(C)C(=O)C(C)(C)NC(=O)Cn1cc[nH+]c1 ZINC000562298844 323015323 /nfs/dbraw/zinc/01/53/23/323015323.db2.gz ORNSLXJPOYWTJQ-UHFFFAOYSA-N 1 2 238.291 -0.134 20 0 BBADLO O=C(CC[N@H+]1CCNC(=O)C1)Nc1cccnc1 ZINC000562309205 323015801 /nfs/dbraw/zinc/01/58/01/323015801.db2.gz MCKVSYLZNSLFBH-UHFFFAOYSA-N 1 2 248.286 -0.158 20 0 BBADLO O=C(CC[N@@H+]1CCNC(=O)C1)Nc1cccnc1 ZINC000562309205 323015800 /nfs/dbraw/zinc/01/58/00/323015800.db2.gz MCKVSYLZNSLFBH-UHFFFAOYSA-N 1 2 248.286 -0.158 20 0 BBADLO O=S(=O)(C1COC1)N1CC(n2cc[nH+]c2)C1 ZINC000562337883 323016853 /nfs/dbraw/zinc/01/68/53/323016853.db2.gz WOJGVUWQSBMGPI-UHFFFAOYSA-N 1 2 243.288 -0.532 20 0 BBADLO O=C(Cn1cc[nH+]c1)N[C@]1(CCO)CCOC1 ZINC000562347790 323017300 /nfs/dbraw/zinc/01/73/00/323017300.db2.gz RQHLCLBVYJGRLV-LLVKDONJSA-N 1 2 239.275 -0.459 20 0 BBADLO O=C(Cn1cc[nH+]c1)N[C@@]1(CCO)CCOC1 ZINC000562347791 323017283 /nfs/dbraw/zinc/01/72/83/323017283.db2.gz RQHLCLBVYJGRLV-NSHDSACASA-N 1 2 239.275 -0.459 20 0 BBADLO COC[C@@](C)(O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000562372735 323018551 /nfs/dbraw/zinc/01/85/51/323018551.db2.gz LNIHDAIISVYFBT-LLVKDONJSA-N 1 2 239.275 -0.377 20 0 BBADLO COC[C@](C)(O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000562372740 323018647 /nfs/dbraw/zinc/01/86/47/323018647.db2.gz LNIHDAIISVYFBT-NSHDSACASA-N 1 2 239.275 -0.377 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1CCCC(=O)N(C)C ZINC000562383712 384288799 /nfs/dbraw/zinc/28/87/99/384288799.db2.gz RXFIDFPIURVZCL-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1CCCC(=O)N(C)C ZINC000562383712 384288797 /nfs/dbraw/zinc/28/87/97/384288797.db2.gz RXFIDFPIURVZCL-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1CCCC(=O)N(C)C ZINC000562383713 384286948 /nfs/dbraw/zinc/28/69/48/384286948.db2.gz RXFIDFPIURVZCL-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1CCCC(=O)N(C)C ZINC000562383713 384286942 /nfs/dbraw/zinc/28/69/42/384286942.db2.gz RXFIDFPIURVZCL-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO CNC(=O)CCC[N@H+]1CCN(C)C(=O)C1 ZINC000562444980 323020358 /nfs/dbraw/zinc/02/03/58/323020358.db2.gz YCBZAWAIVDUTDQ-UHFFFAOYSA-N 1 2 213.281 -0.713 20 0 BBADLO CNC(=O)CCC[N@@H+]1CCN(C)C(=O)C1 ZINC000562444980 323020357 /nfs/dbraw/zinc/02/03/57/323020357.db2.gz YCBZAWAIVDUTDQ-UHFFFAOYSA-N 1 2 213.281 -0.713 20 0 BBADLO Nc1ccc(CNc2nccn3nnnc23)c[nH+]1 ZINC000562471508 487965521 /nfs/dbraw/zinc/96/55/21/487965521.db2.gz JYDLVDIWDLBSMY-UHFFFAOYSA-N 1 2 242.246 -0.470 20 0 BBADLO Cc1c(C[N@@H+](C)CC(=O)NC(N)=O)cnn1C ZINC000562502811 323021882 /nfs/dbraw/zinc/02/18/82/323021882.db2.gz UPCKFPJGWKKIEQ-UHFFFAOYSA-N 1 2 239.279 -0.645 20 0 BBADLO Cc1c(C[N@H+](C)CC(=O)NC(N)=O)cnn1C ZINC000562502811 323021881 /nfs/dbraw/zinc/02/18/81/323021881.db2.gz UPCKFPJGWKKIEQ-UHFFFAOYSA-N 1 2 239.279 -0.645 20 0 BBADLO CCc1nc(CNc2cc[nH+]cc2C(N)=O)n[nH]1 ZINC000562535110 323023196 /nfs/dbraw/zinc/02/31/96/323023196.db2.gz VREGKVNDSSSQAT-UHFFFAOYSA-N 1 2 246.274 -0.105 20 0 BBADLO CC[N@@H+](CC(=O)NC(=O)NC1CC1)C1COC1 ZINC000562543113 323023522 /nfs/dbraw/zinc/02/35/22/323023522.db2.gz JLZKKIMRSHEKJY-UHFFFAOYSA-N 1 2 241.291 -0.305 20 0 BBADLO CC[N@H+](CC(=O)NC(=O)NC1CC1)C1COC1 ZINC000562543113 323023521 /nfs/dbraw/zinc/02/35/21/323023521.db2.gz JLZKKIMRSHEKJY-UHFFFAOYSA-N 1 2 241.291 -0.305 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ncc[nH]1 ZINC000562964525 323039852 /nfs/dbraw/zinc/03/98/52/323039852.db2.gz BOLSYLJSJWNJOI-SECBINFHSA-N 1 2 238.291 -0.140 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ncc[nH]1 ZINC000562964527 323039784 /nfs/dbraw/zinc/03/97/84/323039784.db2.gz BOLSYLJSJWNJOI-VIFPVBQESA-N 1 2 238.291 -0.140 20 0 BBADLO CCOCC[C@@H](O)C[NH2+]Cc1nnn(C)n1 ZINC000563002978 323079312 /nfs/dbraw/zinc/07/93/12/323079312.db2.gz MNIWTULMRBHLSP-MRVPVSSYSA-N 1 2 229.284 -0.913 20 0 BBADLO CCOCC[C@H](O)C[NH2+]Cc1nnn(C)n1 ZINC000563002979 323079344 /nfs/dbraw/zinc/07/93/44/323079344.db2.gz MNIWTULMRBHLSP-QMMMGPOBSA-N 1 2 229.284 -0.913 20 0 BBADLO Cn1ccc(S(=O)(=O)NCC[NH+]2CCC2)n1 ZINC000563062801 323083755 /nfs/dbraw/zinc/08/37/55/323083755.db2.gz JPQASGIQBNJAKL-UHFFFAOYSA-N 1 2 244.320 -0.596 20 0 BBADLO CC1(C(N)=O)C[NH+](CC(=O)NCC2CC2)C1 ZINC000563066774 347315045 /nfs/dbraw/zinc/31/50/45/347315045.db2.gz AFFXNMKLTJSQFP-UHFFFAOYSA-N 1 2 225.292 -0.680 20 0 BBADLO CC1(C(N)=O)C[NH+](Cc2cc(=O)c(O)co2)C1 ZINC000563068100 323084386 /nfs/dbraw/zinc/08/43/86/323084386.db2.gz KGYWFMUWHQYIQR-UHFFFAOYSA-N 1 2 238.243 -0.347 20 0 BBADLO CC(=O)NCC[N@H+](C)Cc1ccn(C)n1 ZINC000563083737 323089804 /nfs/dbraw/zinc/08/98/04/323089804.db2.gz YNDVIWZQYDMDGT-UHFFFAOYSA-N 1 2 210.281 -0.012 20 0 BBADLO CC(=O)NCC[N@@H+](C)Cc1ccn(C)n1 ZINC000563083737 323089803 /nfs/dbraw/zinc/08/98/03/323089803.db2.gz YNDVIWZQYDMDGT-UHFFFAOYSA-N 1 2 210.281 -0.012 20 0 BBADLO CCN(C)C(=O)C[N@@H+](C)CCNC(C)=O ZINC000563085070 349037510 /nfs/dbraw/zinc/03/75/10/349037510.db2.gz IMXSERVTTBHFNS-UHFFFAOYSA-N 1 2 215.297 -0.467 20 0 BBADLO CCN(C)C(=O)C[N@H+](C)CCNC(C)=O ZINC000563085070 349037506 /nfs/dbraw/zinc/03/75/06/349037506.db2.gz IMXSERVTTBHFNS-UHFFFAOYSA-N 1 2 215.297 -0.467 20 0 BBADLO CC1(C[N@H+]2CCN(CC(N)=O)C(=O)C2)CC1 ZINC000563106586 323092548 /nfs/dbraw/zinc/09/25/48/323092548.db2.gz MWENTIKYUZGVRY-UHFFFAOYSA-N 1 2 225.292 -0.584 20 0 BBADLO CC1(C[N@@H+]2CCN(CC(N)=O)C(=O)C2)CC1 ZINC000563106586 323092547 /nfs/dbraw/zinc/09/25/47/323092547.db2.gz MWENTIKYUZGVRY-UHFFFAOYSA-N 1 2 225.292 -0.584 20 0 BBADLO Cc1nnc(NC(=O)[C@H]2CSC[NH2+]2)n1C ZINC000563158981 323096971 /nfs/dbraw/zinc/09/69/71/323096971.db2.gz DCHJIKLKCRQOJD-ZCFIWIBFSA-N 1 2 227.293 -0.275 20 0 BBADLO CC(=O)NCCN(C)C(=O)CCn1cc[nH+]c1 ZINC000563182474 323100508 /nfs/dbraw/zinc/10/05/08/323100508.db2.gz FEVVUWULVGZVJA-UHFFFAOYSA-N 1 2 238.291 -0.132 20 0 BBADLO COC(=O)[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000563275904 323107491 /nfs/dbraw/zinc/10/74/91/323107491.db2.gz JUYPVYSLFBWNKV-DTORHVGOSA-N 1 2 237.259 -0.049 20 0 BBADLO CC(C)NC(=O)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000563275984 323107484 /nfs/dbraw/zinc/10/74/84/323107484.db2.gz MAPVEMWERXAABI-SECBINFHSA-N 1 2 238.291 -0.088 20 0 BBADLO CC(C)NC(=O)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000563275985 323107479 /nfs/dbraw/zinc/10/74/79/323107479.db2.gz MAPVEMWERXAABI-VIFPVBQESA-N 1 2 238.291 -0.088 20 0 BBADLO CCN1C[C@H](NC(=O)Cn2cc[nH+]c2)CC1=O ZINC000563285906 323108573 /nfs/dbraw/zinc/10/85/73/323108573.db2.gz GKBWMBVZUHYALN-SECBINFHSA-N 1 2 236.275 -0.380 20 0 BBADLO CCN1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC1=O ZINC000563285907 323108605 /nfs/dbraw/zinc/10/86/05/323108605.db2.gz GKBWMBVZUHYALN-VIFPVBQESA-N 1 2 236.275 -0.380 20 0 BBADLO CC(C)(C)n1ncnc1C[NH2+]C(CO)CO ZINC000563361780 350824657 /nfs/dbraw/zinc/82/46/57/350824657.db2.gz QMLFJPGQVZXRQS-UHFFFAOYSA-N 1 2 228.296 -0.524 20 0 BBADLO CN(C)C(=O)CCC[N@H+]1CCn2nncc2C1 ZINC000563365015 323121323 /nfs/dbraw/zinc/12/13/23/323121323.db2.gz ASLRLCQCSBEOKX-UHFFFAOYSA-N 1 2 237.307 -0.038 20 0 BBADLO CN(C)C(=O)CCC[N@@H+]1CCn2nncc2C1 ZINC000563365015 323121322 /nfs/dbraw/zinc/12/13/22/323121322.db2.gz ASLRLCQCSBEOKX-UHFFFAOYSA-N 1 2 237.307 -0.038 20 0 BBADLO CO[C@@H]1C[N@H+]([C@@H](C)c2nccc(N)n2)C[C@H]1O ZINC000563367873 411896796 /nfs/dbraw/zinc/89/67/96/411896796.db2.gz PUMSRELVVCBMNQ-DJLDLDEBSA-N 1 2 238.291 -0.189 20 0 BBADLO CO[C@@H]1C[N@@H+]([C@@H](C)c2nccc(N)n2)C[C@H]1O ZINC000563367873 411896791 /nfs/dbraw/zinc/89/67/91/411896791.db2.gz PUMSRELVVCBMNQ-DJLDLDEBSA-N 1 2 238.291 -0.189 20 0 BBADLO CO[C@@H]1C[N@H+]([C@H](C)c2nccc(N)n2)C[C@H]1O ZINC000563367874 411896464 /nfs/dbraw/zinc/89/64/64/411896464.db2.gz PUMSRELVVCBMNQ-IWSPIJDZSA-N 1 2 238.291 -0.189 20 0 BBADLO CO[C@@H]1C[N@@H+]([C@H](C)c2nccc(N)n2)C[C@H]1O ZINC000563367874 411896460 /nfs/dbraw/zinc/89/64/60/411896460.db2.gz PUMSRELVVCBMNQ-IWSPIJDZSA-N 1 2 238.291 -0.189 20 0 BBADLO C[C@@H](C(=O)N1CC(CCO)C1)[NH+]1CCOCC1 ZINC000563389373 323122425 /nfs/dbraw/zinc/12/24/25/323122425.db2.gz YCVCZHOXFBAJKM-JTQLQIEISA-N 1 2 242.319 -0.452 20 0 BBADLO CCN(C)C(=O)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000563390910 323121845 /nfs/dbraw/zinc/12/18/45/323121845.db2.gz GVLYAYZKJVBFJI-UHFFFAOYSA-N 1 2 241.335 -0.077 20 0 BBADLO CCn1cc[nH+]c1CNC(=O)C1(CO)COC1 ZINC000563407573 323122410 /nfs/dbraw/zinc/12/24/10/323122410.db2.gz KQMFKPQYMPFSKE-UHFFFAOYSA-N 1 2 239.275 -0.472 20 0 BBADLO Cc1c[nH+]c(C)nc1NCCc1nc(N)no1 ZINC000563419899 411933675 /nfs/dbraw/zinc/93/36/75/411933675.db2.gz DLSTVLHIPGEZRC-UHFFFAOYSA-N 1 2 234.263 0.135 20 0 BBADLO COc1c(N)nc[nH+]c1N1CCn2nncc2C1 ZINC000563424579 323125978 /nfs/dbraw/zinc/12/59/78/323125978.db2.gz SXOLIBFEBBYHHK-UHFFFAOYSA-N 1 2 247.262 -0.321 20 0 BBADLO COc1c(N)[nH+]cnc1N1CCn2nncc2C1 ZINC000563424579 323125977 /nfs/dbraw/zinc/12/59/77/323125977.db2.gz SXOLIBFEBBYHHK-UHFFFAOYSA-N 1 2 247.262 -0.321 20 0 BBADLO COc1c(N)nc[nH+]c1NCCc1cn[nH]c1 ZINC000563425435 411682486 /nfs/dbraw/zinc/68/24/86/411682486.db2.gz QKLIQSNQSLHTMF-UHFFFAOYSA-N 1 2 234.263 0.445 20 0 BBADLO COc1c(N)[nH+]cnc1NCCc1cn[nH]c1 ZINC000563425435 411682480 /nfs/dbraw/zinc/68/24/80/411682480.db2.gz QKLIQSNQSLHTMF-UHFFFAOYSA-N 1 2 234.263 0.445 20 0 BBADLO COC[C@H](O)CNc1nc(C)[nH+]cc1C ZINC000563425911 491071212 /nfs/dbraw/zinc/07/12/12/491071212.db2.gz KWDGLJNPVZLIFO-SECBINFHSA-N 1 2 211.265 0.513 20 0 BBADLO Cc1c[nH+]c(C)nc1NC[C@H](O)Cn1ccnn1 ZINC000563426838 411736084 /nfs/dbraw/zinc/73/60/84/411736084.db2.gz WMGNOANHQCXJHT-JTQLQIEISA-N 1 2 248.290 0.158 20 0 BBADLO Cc1c[nH+]c(C)nc1NC[C@@H](O)Cn1ccnn1 ZINC000563426839 411734561 /nfs/dbraw/zinc/73/45/61/411734561.db2.gz WMGNOANHQCXJHT-SNVBAGLBSA-N 1 2 248.290 0.158 20 0 BBADLO COC(=O)[C@](C)(O)CNc1nc(C)[nH+]cc1C ZINC000563426958 412337903 /nfs/dbraw/zinc/33/79/03/412337903.db2.gz PDTLGQXTIPRKOU-LLVKDONJSA-N 1 2 239.275 0.429 20 0 BBADLO COC(=O)[C@@](C)(O)CNc1nc(C)[nH+]cc1C ZINC000563426959 412336832 /nfs/dbraw/zinc/33/68/32/412336832.db2.gz PDTLGQXTIPRKOU-NSHDSACASA-N 1 2 239.275 0.429 20 0 BBADLO Cn1ncc2c1nc(N)[nH+]c2N1CC[C@@](C)(O)C1 ZINC000563428205 411957611 /nfs/dbraw/zinc/95/76/11/411957611.db2.gz WSNFOPGIFFYIHM-LLVKDONJSA-N 1 2 248.290 -0.093 20 0 BBADLO Cn1ncc2c1nc(N)[nH+]c2N1CC[C@](C)(O)C1 ZINC000563428212 411957386 /nfs/dbraw/zinc/95/73/86/411957386.db2.gz WSNFOPGIFFYIHM-NSHDSACASA-N 1 2 248.290 -0.093 20 0 BBADLO CCCNC(=O)C[N@H+]1CCC[C@]12CCNC2=O ZINC000563546038 323129628 /nfs/dbraw/zinc/12/96/28/323129628.db2.gz WEPATEHQPGDIRY-GFCCVEGCSA-N 1 2 239.319 -0.133 20 0 BBADLO CCCNC(=O)C[N@@H+]1CCC[C@]12CCNC2=O ZINC000563546038 323129627 /nfs/dbraw/zinc/12/96/27/323129627.db2.gz WEPATEHQPGDIRY-GFCCVEGCSA-N 1 2 239.319 -0.133 20 0 BBADLO CCCNC(=O)C[N@H+]1CCC[C@@]12CCNC2=O ZINC000563546039 323129587 /nfs/dbraw/zinc/12/95/87/323129587.db2.gz WEPATEHQPGDIRY-LBPRGKRZSA-N 1 2 239.319 -0.133 20 0 BBADLO CCCNC(=O)C[N@@H+]1CCC[C@@]12CCNC2=O ZINC000563546039 323129586 /nfs/dbraw/zinc/12/95/86/323129586.db2.gz WEPATEHQPGDIRY-LBPRGKRZSA-N 1 2 239.319 -0.133 20 0 BBADLO O=C1C[C@@H]([N@H+]2CCO[C@@H](C3CCC3)C2)C(=O)N1 ZINC000563627425 323132350 /nfs/dbraw/zinc/13/23/50/323132350.db2.gz ABDVWRAYYMMSKT-NXEZZACHSA-N 1 2 238.287 -0.098 20 0 BBADLO O=C1C[C@@H]([N@@H+]2CCO[C@@H](C3CCC3)C2)C(=O)N1 ZINC000563627425 323132349 /nfs/dbraw/zinc/13/23/49/323132349.db2.gz ABDVWRAYYMMSKT-NXEZZACHSA-N 1 2 238.287 -0.098 20 0 BBADLO O=C1C[C@H]([N@H+]2CCO[C@H](C3CCC3)C2)C(=O)N1 ZINC000563627442 323132421 /nfs/dbraw/zinc/13/24/21/323132421.db2.gz ABDVWRAYYMMSKT-UWVGGRQHSA-N 1 2 238.287 -0.098 20 0 BBADLO O=C1C[C@H]([N@@H+]2CCO[C@H](C3CCC3)C2)C(=O)N1 ZINC000563627442 323132420 /nfs/dbraw/zinc/13/24/20/323132420.db2.gz ABDVWRAYYMMSKT-UWVGGRQHSA-N 1 2 238.287 -0.098 20 0 BBADLO O=C1C[C@H]([N@H+]2CCO[C@@H](C3CCC3)C2)C(=O)N1 ZINC000563627445 323132495 /nfs/dbraw/zinc/13/24/95/323132495.db2.gz ABDVWRAYYMMSKT-VHSXEESVSA-N 1 2 238.287 -0.098 20 0 BBADLO O=C1C[C@H]([N@@H+]2CCO[C@@H](C3CCC3)C2)C(=O)N1 ZINC000563627445 323132494 /nfs/dbraw/zinc/13/24/94/323132494.db2.gz ABDVWRAYYMMSKT-VHSXEESVSA-N 1 2 238.287 -0.098 20 0 BBADLO O=C1C[C@@H]([N@H+]2CCO[C@H](C3CCC3)C2)C(=O)N1 ZINC000563627446 323132367 /nfs/dbraw/zinc/13/23/67/323132367.db2.gz ABDVWRAYYMMSKT-ZJUUUORDSA-N 1 2 238.287 -0.098 20 0 BBADLO O=C1C[C@@H]([N@@H+]2CCO[C@H](C3CCC3)C2)C(=O)N1 ZINC000563627446 323132366 /nfs/dbraw/zinc/13/23/66/323132366.db2.gz ABDVWRAYYMMSKT-ZJUUUORDSA-N 1 2 238.287 -0.098 20 0 BBADLO NC(=O)[C@H]1C[N@@H+](CC2(F)CC2)CCO1 ZINC000563761512 323177153 /nfs/dbraw/zinc/17/71/53/323177153.db2.gz MKKLTIMUTZUCEX-SSDOTTSWSA-N 1 2 202.229 -0.325 20 0 BBADLO NC(=O)[C@H]1C[N@H+](CC2(F)CC2)CCO1 ZINC000563761512 323177152 /nfs/dbraw/zinc/17/71/52/323177152.db2.gz MKKLTIMUTZUCEX-SSDOTTSWSA-N 1 2 202.229 -0.325 20 0 BBADLO NC(=O)[C@@H]1C[N@@H+](CC2(F)CC2)CCO1 ZINC000563761519 323177164 /nfs/dbraw/zinc/17/71/64/323177164.db2.gz MKKLTIMUTZUCEX-ZETCQYMHSA-N 1 2 202.229 -0.325 20 0 BBADLO NC(=O)[C@@H]1C[N@H+](CC2(F)CC2)CCO1 ZINC000563761519 323177163 /nfs/dbraw/zinc/17/71/63/323177163.db2.gz MKKLTIMUTZUCEX-ZETCQYMHSA-N 1 2 202.229 -0.325 20 0 BBADLO COc1c(N)nc[nH+]c1N1CC(C)(C(N)=O)C1 ZINC000563821060 323179387 /nfs/dbraw/zinc/17/93/87/323179387.db2.gz OJSHRLNPCCRCHU-UHFFFAOYSA-N 1 2 237.263 -0.621 20 0 BBADLO COc1c(N)[nH+]cnc1N1CC(C)(C(N)=O)C1 ZINC000563821060 323179386 /nfs/dbraw/zinc/17/93/86/323179386.db2.gz OJSHRLNPCCRCHU-UHFFFAOYSA-N 1 2 237.263 -0.621 20 0 BBADLO CNS(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000563976720 323338266 /nfs/dbraw/zinc/33/82/66/323338266.db2.gz 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/nfs/dbraw/zinc/17/74/31/324177431.db2.gz HFLLLBVHSQKUME-XCBNKYQSSA-N 1 2 233.264 -0.596 20 0 BBADLO COC(=O)[C@@H](C)[N@H+](C)C[C@](C)(O)C(=O)OC ZINC000564147342 324177428 /nfs/dbraw/zinc/17/74/28/324177428.db2.gz HFLLLBVHSQKUME-XCBNKYQSSA-N 1 2 233.264 -0.596 20 0 BBADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCNC(=O)C1 ZINC000564223490 388780354 /nfs/dbraw/zinc/78/03/54/388780354.db2.gz NJKAFZRMESIIKV-MRVPVSSYSA-N 1 2 236.275 -0.453 20 0 BBADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCNC(=O)C1 ZINC000564223490 388780353 /nfs/dbraw/zinc/78/03/53/388780353.db2.gz NJKAFZRMESIIKV-MRVPVSSYSA-N 1 2 236.275 -0.453 20 0 BBADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCNC(=O)C1 ZINC000564223493 388779576 /nfs/dbraw/zinc/77/95/76/388779576.db2.gz NJKAFZRMESIIKV-QMMMGPOBSA-N 1 2 236.275 -0.453 20 0 BBADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCNC(=O)C1 ZINC000564223493 388779571 /nfs/dbraw/zinc/77/95/71/388779571.db2.gz NJKAFZRMESIIKV-QMMMGPOBSA-N 1 2 236.275 -0.453 20 0 BBADLO CO[C@@H]1COC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000564335574 388498972 /nfs/dbraw/zinc/49/89/72/388498972.db2.gz UFTISHDBFZIYKY-NXEZZACHSA-N 1 2 239.275 -0.128 20 0 BBADLO CO[C@@H]1COC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000564335574 388498971 /nfs/dbraw/zinc/49/89/71/388498971.db2.gz UFTISHDBFZIYKY-NXEZZACHSA-N 1 2 239.275 -0.128 20 0 BBADLO Cc1ncc(C(=O)NCc2c[nH+]cn2C)c(N)n1 ZINC000564540282 411982897 /nfs/dbraw/zinc/98/28/97/411982897.db2.gz FWJFOWVXMQQMTO-UHFFFAOYSA-N 1 2 246.274 0.031 20 0 BBADLO CN1C[C@H](NC(=O)Cn2cc[nH+]c2)CCC1=O ZINC000564642348 322956458 /nfs/dbraw/zinc/95/64/58/322956458.db2.gz WFYOGIQALMREHE-SECBINFHSA-N 1 2 236.275 -0.380 20 0 BBADLO CNC(=O)C(C)(C)CNC(=O)Cn1cc[nH+]c1 ZINC000564643335 322957923 /nfs/dbraw/zinc/95/79/23/322957923.db2.gz ZCLVLAWCIFVJTC-UHFFFAOYSA-N 1 2 238.291 -0.229 20 0 BBADLO CCC[C@@H](O)C[N@H+]1CCn2nnc(CO)c2C1 ZINC000564660866 384949783 /nfs/dbraw/zinc/94/97/83/384949783.db2.gz MZNGMWYDDNNQNT-SECBINFHSA-N 1 2 240.307 -0.253 20 0 BBADLO CCC[C@@H](O)C[N@@H+]1CCn2nnc(CO)c2C1 ZINC000564660866 384949776 /nfs/dbraw/zinc/94/97/76/384949776.db2.gz MZNGMWYDDNNQNT-SECBINFHSA-N 1 2 240.307 -0.253 20 0 BBADLO CCC[C@H](O)C[N@H+]1CCn2nnc(CO)c2C1 ZINC000564660872 384948924 /nfs/dbraw/zinc/94/89/24/384948924.db2.gz MZNGMWYDDNNQNT-VIFPVBQESA-N 1 2 240.307 -0.253 20 0 BBADLO CCC[C@H](O)C[N@@H+]1CCn2nnc(CO)c2C1 ZINC000564660872 384948916 /nfs/dbraw/zinc/94/89/16/384948916.db2.gz MZNGMWYDDNNQNT-VIFPVBQESA-N 1 2 240.307 -0.253 20 0 BBADLO Cc1ncc2c(n1)CC[N@@H+]([C@H]1COC[C@H]1O)C2 ZINC000564666281 385076923 /nfs/dbraw/zinc/07/69/23/385076923.db2.gz GLLPOODACXKBSR-NWDGAFQWSA-N 1 2 235.287 -0.097 20 0 BBADLO Cc1ncc2c(n1)CC[N@H+]([C@H]1COC[C@H]1O)C2 ZINC000564666281 385076919 /nfs/dbraw/zinc/07/69/19/385076919.db2.gz GLLPOODACXKBSR-NWDGAFQWSA-N 1 2 235.287 -0.097 20 0 BBADLO Cc1ncc2c(n1)CC[N@@H+]([C@@H]1COC[C@H]1O)C2 ZINC000564666284 385082271 /nfs/dbraw/zinc/08/22/71/385082271.db2.gz GLLPOODACXKBSR-VXGBXAGGSA-N 1 2 235.287 -0.097 20 0 BBADLO Cc1ncc2c(n1)CC[N@H+]([C@@H]1COC[C@H]1O)C2 ZINC000564666284 385082266 /nfs/dbraw/zinc/08/22/66/385082266.db2.gz GLLPOODACXKBSR-VXGBXAGGSA-N 1 2 235.287 -0.097 20 0 BBADLO Cn1ncc2c1nc(N)[nH+]c2N1CCC[C@H](O)C1 ZINC000564740799 411957181 /nfs/dbraw/zinc/95/71/81/411957181.db2.gz PFWSTSOJHKBIDI-ZETCQYMHSA-N 1 2 248.290 -0.093 20 0 BBADLO CNC(=O)C[N@@H+](C)Cc1cnn(C)c1C ZINC000564826330 388892025 /nfs/dbraw/zinc/89/20/25/388892025.db2.gz MUYGGLAMAQCQDA-UHFFFAOYSA-N 1 2 210.281 -0.094 20 0 BBADLO CNC(=O)C[N@H+](C)Cc1cnn(C)c1C ZINC000564826330 388892022 /nfs/dbraw/zinc/89/20/22/388892022.db2.gz MUYGGLAMAQCQDA-UHFFFAOYSA-N 1 2 210.281 -0.094 20 0 BBADLO O[C@@H](C[NH2+]Cc1ccn[nH]1)Cn1cccn1 ZINC000564844594 384968193 /nfs/dbraw/zinc/96/81/93/384968193.db2.gz KMMURYDWICULSW-JTQLQIEISA-N 1 2 221.264 -0.243 20 0 BBADLO O[C@H](C[NH2+]Cc1ccn[nH]1)Cn1cccn1 ZINC000564844612 384969899 /nfs/dbraw/zinc/96/98/99/384969899.db2.gz KMMURYDWICULSW-SNVBAGLBSA-N 1 2 221.264 -0.243 20 0 BBADLO COC(=O)C1(C)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000564875270 388895443 /nfs/dbraw/zinc/89/54/43/388895443.db2.gz DAWSJMSVFJIZOB-UHFFFAOYSA-N 1 2 237.259 -0.095 20 0 BBADLO CC(C)C[C@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000564934596 325829068 /nfs/dbraw/zinc/82/90/68/325829068.db2.gz XVDNUAHZCXJGAR-JTQLQIEISA-N 1 2 241.335 -0.031 20 0 BBADLO CC(C)C[C@@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000564934597 388899002 /nfs/dbraw/zinc/89/90/02/388899002.db2.gz XVDNUAHZCXJGAR-SNVBAGLBSA-N 1 2 241.335 -0.031 20 0 BBADLO COC(=O)[C@@H]([NH2+]CC(C)(C)O)[C@H](C)O ZINC000564976301 384105704 /nfs/dbraw/zinc/10/57/04/384105704.db2.gz SCLNCCYIPXXZGA-BQBZGAKWSA-N 1 2 205.254 -0.731 20 0 BBADLO COC(=O)[C@H]([NH2+]CC(C)(C)O)[C@H](C)O ZINC000564976316 384104676 /nfs/dbraw/zinc/10/46/76/384104676.db2.gz SCLNCCYIPXXZGA-NKWVEPMBSA-N 1 2 205.254 -0.731 20 0 BBADLO COC(=O)[C@H]([NH2+]CC(C)(C)O)[C@@H](C)O ZINC000564976317 384105717 /nfs/dbraw/zinc/10/57/17/384105717.db2.gz SCLNCCYIPXXZGA-RNFRBKRXSA-N 1 2 205.254 -0.731 20 0 BBADLO COC(=O)[C@@H]([NH2+]CC(C)(C)O)[C@@H](C)O ZINC000564976318 322986740 /nfs/dbraw/zinc/98/67/40/322986740.db2.gz SCLNCCYIPXXZGA-RQJHMYQMSA-N 1 2 205.254 -0.731 20 0 BBADLO Nc1ccc(NC(=O)CNC(=O)C2CC2)c[nH+]1 ZINC000564980842 411957482 /nfs/dbraw/zinc/95/74/82/411957482.db2.gz DSXXDJRJBCMUDL-UHFFFAOYSA-N 1 2 234.259 0.129 20 0 BBADLO Cc1ccc(NC(=O)CN2CC[NH2+]CC2=O)cn1 ZINC000564993592 325842468 /nfs/dbraw/zinc/84/24/68/325842468.db2.gz GUKCADFAVFCZJT-UHFFFAOYSA-N 1 2 248.286 -0.240 20 0 BBADLO C[C@@H](O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000565033799 325848882 /nfs/dbraw/zinc/84/88/82/325848882.db2.gz CALXEMMQYLJSMB-BDAKNGLRSA-N 1 2 223.276 -0.058 20 0 BBADLO C[C@@H](O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000565033800 388909778 /nfs/dbraw/zinc/90/97/78/388909778.db2.gz CALXEMMQYLJSMB-RKDXNWHRSA-N 1 2 223.276 -0.058 20 0 BBADLO C[C@@H](CC(=O)NCCOCCO)n1cc[nH+]c1 ZINC000565072017 325853839 /nfs/dbraw/zinc/85/38/39/325853839.db2.gz YCHPNSMMLJVDQH-JTQLQIEISA-N 1 2 241.291 -0.041 20 0 BBADLO C[C@H](CC(=O)NCCOCCO)n1cc[nH+]c1 ZINC000565072018 388912564 /nfs/dbraw/zinc/91/25/64/388912564.db2.gz YCHPNSMMLJVDQH-SNVBAGLBSA-N 1 2 241.291 -0.041 20 0 BBADLO CCCc1noc(C[NH2+]C(CO)CO)n1 ZINC000565165151 325865657 /nfs/dbraw/zinc/86/56/57/325865657.db2.gz QLUBGCBYPRNQJQ-UHFFFAOYSA-N 1 2 215.253 -0.535 20 0 BBADLO C[C@H](c1nccc(N)n1)[N@H+]1CCOC[C@@H](O)C1 ZINC000565167875 411926897 /nfs/dbraw/zinc/92/68/97/411926897.db2.gz ABZXWICOCUDKTR-BDAKNGLRSA-N 1 2 238.291 -0.187 20 0 BBADLO C[C@H](c1nccc(N)n1)[N@@H+]1CCOC[C@@H](O)C1 ZINC000565167875 411926893 /nfs/dbraw/zinc/92/68/93/411926893.db2.gz ABZXWICOCUDKTR-BDAKNGLRSA-N 1 2 238.291 -0.187 20 0 BBADLO C[C@@H](c1nccc(N)n1)[N@H+]1CCOC[C@H](O)C1 ZINC000565167878 411902509 /nfs/dbraw/zinc/90/25/09/411902509.db2.gz ABZXWICOCUDKTR-DTWKUNHWSA-N 1 2 238.291 -0.187 20 0 BBADLO C[C@@H](c1nccc(N)n1)[N@@H+]1CCOC[C@H](O)C1 ZINC000565167878 411902504 /nfs/dbraw/zinc/90/25/04/411902504.db2.gz ABZXWICOCUDKTR-DTWKUNHWSA-N 1 2 238.291 -0.187 20 0 BBADLO C[C@@H](c1nccc(N)n1)[N@H+]1CCOC[C@@H](O)C1 ZINC000565167879 411902311 /nfs/dbraw/zinc/90/23/11/411902311.db2.gz ABZXWICOCUDKTR-IUCAKERBSA-N 1 2 238.291 -0.187 20 0 BBADLO C[C@@H](c1nccc(N)n1)[N@@H+]1CCOC[C@@H](O)C1 ZINC000565167879 411902307 /nfs/dbraw/zinc/90/23/07/411902307.db2.gz ABZXWICOCUDKTR-IUCAKERBSA-N 1 2 238.291 -0.187 20 0 BBADLO C[C@H](c1nccc(N)n1)[N@H+]1CCOC[C@H](O)C1 ZINC000565167880 411926834 /nfs/dbraw/zinc/92/68/34/411926834.db2.gz ABZXWICOCUDKTR-RKDXNWHRSA-N 1 2 238.291 -0.187 20 0 BBADLO C[C@H](c1nccc(N)n1)[N@@H+]1CCOC[C@H](O)C1 ZINC000565167880 411926829 /nfs/dbraw/zinc/92/68/29/411926829.db2.gz ABZXWICOCUDKTR-RKDXNWHRSA-N 1 2 238.291 -0.187 20 0 BBADLO CC(C)OC[C@H](O)C[N@H+]1CCn2nncc2C1 ZINC000565169136 388920823 /nfs/dbraw/zinc/92/08/23/388920823.db2.gz CRCSNCSPOSHTDM-LLVKDONJSA-N 1 2 240.307 -0.120 20 0 BBADLO CC(C)OC[C@H](O)C[N@@H+]1CCn2nncc2C1 ZINC000565169136 388920822 /nfs/dbraw/zinc/92/08/22/388920822.db2.gz CRCSNCSPOSHTDM-LLVKDONJSA-N 1 2 240.307 -0.120 20 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487719993 /nfs/dbraw/zinc/71/99/93/487719993.db2.gz XHCLVXWXALYKHR-LBPRGKRZSA-N 1 2 247.302 -0.087 20 0 BBADLO CCN(CC(N)=O)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000566450009 326049344 /nfs/dbraw/zinc/04/93/44/326049344.db2.gz YYXIJFIDBAVSSY-MRVPVSSYSA-N 1 2 238.291 -0.078 20 0 BBADLO CCN(CC(N)=O)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000566450009 326049343 /nfs/dbraw/zinc/04/93/43/326049343.db2.gz YYXIJFIDBAVSSY-MRVPVSSYSA-N 1 2 238.291 -0.078 20 0 BBADLO CCN(CC(N)=O)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000566450010 326049470 /nfs/dbraw/zinc/04/94/70/326049470.db2.gz YYXIJFIDBAVSSY-QMMMGPOBSA-N 1 2 238.291 -0.078 20 0 BBADLO CCN(CC(N)=O)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000566450010 326049469 /nfs/dbraw/zinc/04/94/69/326049469.db2.gz YYXIJFIDBAVSSY-QMMMGPOBSA-N 1 2 238.291 -0.078 20 0 BBADLO C[C@@H](C(=O)N1CCCOC1)[NH+]1CCOCC1 ZINC000566461298 326051146 /nfs/dbraw/zinc/05/11/46/326051146.db2.gz LHEYKIFPALLYTA-JTQLQIEISA-N 1 2 228.292 -0.087 20 0 BBADLO CCn1cc[nH+]c1CNC(=O)c1cn(C)nn1 ZINC000566468124 326052029 /nfs/dbraw/zinc/05/20/29/326052029.db2.gz DHKBQCNVAWODRA-UHFFFAOYSA-N 1 2 234.263 -0.039 20 0 BBADLO Cc1c[nH+]c(C)nc1NCCc1nnc(N)o1 ZINC000566481970 411933623 /nfs/dbraw/zinc/93/36/23/411933623.db2.gz JTXWHHJOOUVBSH-UHFFFAOYSA-N 1 2 234.263 0.135 20 0 BBADLO COc1c(N)nc[nH+]c1NCCc1nnc[nH]1 ZINC000566485331 491091030 /nfs/dbraw/zinc/09/10/30/491091030.db2.gz GGDYFFYDWSLWTP-UHFFFAOYSA-N 1 2 235.251 -0.160 20 0 BBADLO COc1c(N)[nH+]cnc1NCCc1nnc[nH]1 ZINC000566485331 491091029 /nfs/dbraw/zinc/09/10/29/491091029.db2.gz GGDYFFYDWSLWTP-UHFFFAOYSA-N 1 2 235.251 -0.160 20 0 BBADLO Cc1cnc(C)nc1NC[C@@H]1C[NH+]2CCN1CC2 ZINC000566486866 411735161 /nfs/dbraw/zinc/73/51/61/411735161.db2.gz OUJIOWINVAZOQE-GFCCVEGCSA-N 1 2 247.346 0.505 20 0 BBADLO Cc1cnc(C)nc1NC[C@H]1C[NH+]2CCN1CC2 ZINC000566486867 411736851 /nfs/dbraw/zinc/73/68/51/411736851.db2.gz OUJIOWINVAZOQE-LBPRGKRZSA-N 1 2 247.346 0.505 20 0 BBADLO CN(Cc1c[nH]c[nH+]1)S(=O)(=O)NC1CC1 ZINC000566492601 326057950 /nfs/dbraw/zinc/05/79/50/326057950.db2.gz FAVPFRUGXBNIQY-UHFFFAOYSA-N 1 2 230.293 -0.162 20 0 BBADLO CN(Cc1c[nH+]c[nH]1)S(=O)(=O)NC1CC1 ZINC000566492601 326057947 /nfs/dbraw/zinc/05/79/47/326057947.db2.gz FAVPFRUGXBNIQY-UHFFFAOYSA-N 1 2 230.293 -0.162 20 0 BBADLO CCNC(=O)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000566552709 326063135 /nfs/dbraw/zinc/06/31/35/326063135.db2.gz IRTCPUKSIOFWOJ-MRVPVSSYSA-N 1 2 224.264 -0.476 20 0 BBADLO CCNC(=O)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000566552714 326063093 /nfs/dbraw/zinc/06/30/93/326063093.db2.gz IRTCPUKSIOFWOJ-QMMMGPOBSA-N 1 2 224.264 -0.476 20 0 BBADLO CC(C)CN(CC(N)=O)C(=O)Cn1cc[nH+]c1 ZINC000566594970 326066194 /nfs/dbraw/zinc/06/61/94/326066194.db2.gz BMJIAHAWKPLWDG-UHFFFAOYSA-N 1 2 238.291 -0.147 20 0 BBADLO CC1(C)C[NH+](CC(=O)N[C@@]2(CO)CCOC2)C1 ZINC000566630213 323008343 /nfs/dbraw/zinc/00/83/43/323008343.db2.gz ZSECWZWOPSKHAT-GFCCVEGCSA-N 1 2 242.319 -0.404 20 0 BBADLO CC1(C)C[NH+](CC(=O)N[C@]2(CO)CCOC2)C1 ZINC000566630219 323008409 /nfs/dbraw/zinc/00/84/09/323008409.db2.gz ZSECWZWOPSKHAT-LBPRGKRZSA-N 1 2 242.319 -0.404 20 0 BBADLO O=c1[nH]nc(C[N@@H+]2C[C@H](O)C3(CC3)C2)[nH]1 ZINC000566655103 326071343 /nfs/dbraw/zinc/07/13/43/326071343.db2.gz WMJAUFQEPKJXCD-LURJTMIESA-N 1 2 210.237 -0.533 20 0 BBADLO O=c1[nH]nc(C[N@H+]2C[C@H](O)C3(CC3)C2)[nH]1 ZINC000566655103 326071340 /nfs/dbraw/zinc/07/13/40/326071340.db2.gz WMJAUFQEPKJXCD-LURJTMIESA-N 1 2 210.237 -0.533 20 0 BBADLO O=c1[nH]nc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)[nH]1 ZINC000566655104 326071363 /nfs/dbraw/zinc/07/13/63/326071363.db2.gz WMJAUFQEPKJXCD-ZCFIWIBFSA-N 1 2 210.237 -0.533 20 0 BBADLO O=c1[nH]nc(C[N@H+]2C[C@@H](O)C3(CC3)C2)[nH]1 ZINC000566655104 326071359 /nfs/dbraw/zinc/07/13/59/326071359.db2.gz WMJAUFQEPKJXCD-ZCFIWIBFSA-N 1 2 210.237 -0.533 20 0 BBADLO COC(=O)CN(C)C(=O)C[NH+]1CC(C)(C)C1 ZINC000566687105 326074705 /nfs/dbraw/zinc/07/47/05/326074705.db2.gz IWYFBZKXQCBXGP-UHFFFAOYSA-N 1 2 228.292 -0.040 20 0 BBADLO C[C@H](c1nccc(N)n1)[NH+]1CC(C)(C(N)=O)C1 ZINC000566687929 411927564 /nfs/dbraw/zinc/92/75/64/411927564.db2.gz SKEQOLBZNIYBRW-SSDOTTSWSA-N 1 2 235.291 -0.073 20 0 BBADLO C[C@@H](c1nccc(N)n1)[NH+]1CC(C)(C(N)=O)C1 ZINC000566687930 411902682 /nfs/dbraw/zinc/90/26/82/411902682.db2.gz SKEQOLBZNIYBRW-ZETCQYMHSA-N 1 2 235.291 -0.073 20 0 BBADLO CCc1cnc(C[NH2+]C(CO)CO)o1 ZINC000566746253 326079684 /nfs/dbraw/zinc/07/96/84/326079684.db2.gz YDFNNQKABQVFMZ-UHFFFAOYSA-N 1 2 200.238 -0.320 20 0 BBADLO Cc1c[nH+]c(C)nc1NC[C@@H](C)S(N)(=O)=O ZINC000566866542 411736307 /nfs/dbraw/zinc/73/63/07/411736307.db2.gz OGGIIFIPDMKYJC-SSDOTTSWSA-N 1 2 244.320 0.182 20 0 BBADLO Cc1c[nH+]c(C)nc1NC[C@H](C)S(N)(=O)=O ZINC000566866545 411735867 /nfs/dbraw/zinc/73/58/67/411735867.db2.gz OGGIIFIPDMKYJC-ZETCQYMHSA-N 1 2 244.320 0.182 20 0 BBADLO Cc1nnc(C[N@H+]2CCc3nnc(N)cc3C2)[nH]1 ZINC000566899697 411273034 /nfs/dbraw/zinc/27/30/34/411273034.db2.gz AICKFKVLLOLCSF-UHFFFAOYSA-N 1 2 245.290 0.044 20 0 BBADLO Cc1nnc(C[N@@H+]2CCc3nnc(N)cc3C2)[nH]1 ZINC000566899697 411273032 /nfs/dbraw/zinc/27/30/32/411273032.db2.gz AICKFKVLLOLCSF-UHFFFAOYSA-N 1 2 245.290 0.044 20 0 BBADLO CC(=O)N1CC([NH2+]Cc2nccn2C)C1 ZINC000566923904 326094967 /nfs/dbraw/zinc/09/49/67/326094967.db2.gz KJUIYQFLJFTPMC-UHFFFAOYSA-N 1 2 208.265 -0.260 20 0 BBADLO COCC[C@]1([NH2+]Cc2n[nH]c(=O)[nH]2)CCOC1 ZINC000566953975 326096975 /nfs/dbraw/zinc/09/69/75/326096975.db2.gz NYDJHVKTHBTALV-JTQLQIEISA-N 1 2 242.279 -0.205 20 0 BBADLO COCC[C@@]1([NH2+]Cc2n[nH]c(=O)[nH]2)CCOC1 ZINC000566953976 326096602 /nfs/dbraw/zinc/09/66/02/326096602.db2.gz NYDJHVKTHBTALV-SNVBAGLBSA-N 1 2 242.279 -0.205 20 0 BBADLO CCCCNC(=O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000566971258 326097695 /nfs/dbraw/zinc/09/76/95/326097695.db2.gz JWSKBBTXBYQHSN-UHFFFAOYSA-N 1 2 227.308 -0.290 20 0 BBADLO CCN1CN(C(=O)C[NH+]2CC(C)(C)C2)CC1=O ZINC000566982847 326100051 /nfs/dbraw/zinc/10/00/51/326100051.db2.gz OMMPVUJBDKTLAI-UHFFFAOYSA-N 1 2 239.319 -0.024 20 0 BBADLO Cc1c[nH+]c(C)nc1NCCNS(C)(=O)=O ZINC000567179963 411736461 /nfs/dbraw/zinc/73/64/61/411736461.db2.gz ZKWJEXQXFFLVJV-UHFFFAOYSA-N 1 2 244.320 0.055 20 0 BBADLO CC(C)(CC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC000567281761 326155391 /nfs/dbraw/zinc/15/53/91/326155391.db2.gz MVWQXMAYBVMJCH-UHFFFAOYSA-N 1 2 224.264 -0.347 20 0 BBADLO CC1(C(N)=O)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000567354759 326172856 /nfs/dbraw/zinc/17/28/56/326172856.db2.gz MXYHVPSXEWDLGT-UHFFFAOYSA-N 1 2 236.275 -0.324 20 0 BBADLO CNS(=O)(=O)NCCc1ccc(C)[nH+]c1 ZINC000567366403 326175771 /nfs/dbraw/zinc/17/57/71/326175771.db2.gz LOGSWPVTEQZNJK-UHFFFAOYSA-N 1 2 229.305 -0.014 20 0 BBADLO CCc1nc(N2CC(O)(CO)C2)cc(C)[nH+]1 ZINC000567367205 326176197 /nfs/dbraw/zinc/17/61/97/326176197.db2.gz XYGIUTUUYUSICF-UHFFFAOYSA-N 1 2 223.276 -0.109 20 0 BBADLO CCn1cc(-c2[nH]ncc2C(=O)NCC[NH3+])cn1 ZINC000567383317 326180063 /nfs/dbraw/zinc/18/00/63/326180063.db2.gz YSDLKBVMBLSETK-UHFFFAOYSA-N 1 2 248.290 -0.018 20 0 BBADLO CCC(=O)N1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000567583139 326223078 /nfs/dbraw/zinc/22/30/78/326223078.db2.gz WEFVDOIUCCKNBW-UHFFFAOYSA-N 1 2 236.275 -0.079 20 0 BBADLO C[C@@H](CC(=O)N[C@@H]1COC[C@H]1O)n1cc[nH+]c1 ZINC000567620181 326230780 /nfs/dbraw/zinc/23/07/80/326230780.db2.gz SXLCMVAEDOSPMJ-IVZWLZJFSA-N 1 2 239.275 -0.290 20 0 BBADLO C[C@H](CC(=O)N[C@@H]1COC[C@H]1O)n1cc[nH+]c1 ZINC000567620182 326230644 /nfs/dbraw/zinc/23/06/44/326230644.db2.gz SXLCMVAEDOSPMJ-OPRDCNLKSA-N 1 2 239.275 -0.290 20 0 BBADLO Cc1nc(N)c(CNC(=O)c2cncnc2)c[nH+]1 ZINC000567718836 411915963 /nfs/dbraw/zinc/91/59/63/411915963.db2.gz VJMAVHIGAILADL-UHFFFAOYSA-N 1 2 244.258 0.087 20 0 BBADLO CCOC(=O)[C@@H](C)[NH+]1CC(C)(C(N)=O)C1 ZINC000567730554 326252292 /nfs/dbraw/zinc/25/22/92/326252292.db2.gz IMNDJERWAUYABG-SSDOTTSWSA-N 1 2 214.265 -0.255 20 0 BBADLO CCOC(=O)[C@H](C)[NH+]1CC(C)(C(N)=O)C1 ZINC000567730555 326252475 /nfs/dbraw/zinc/25/24/75/326252475.db2.gz IMNDJERWAUYABG-ZETCQYMHSA-N 1 2 214.265 -0.255 20 0 BBADLO C[C@H](C[NH+]1CC(C)(C(N)=O)C1)S(C)(=O)=O ZINC000567791511 326259072 /nfs/dbraw/zinc/25/90/72/326259072.db2.gz URNNXHZKDXDLBN-SSDOTTSWSA-N 1 2 234.321 -0.773 20 0 BBADLO C[C@@H](C[NH+]1CC(C)(C(N)=O)C1)S(C)(=O)=O ZINC000567791512 326259280 /nfs/dbraw/zinc/25/92/80/326259280.db2.gz URNNXHZKDXDLBN-ZETCQYMHSA-N 1 2 234.321 -0.773 20 0 BBADLO CC1(C(N)=O)C[NH+](Cc2ncccn2)C1 ZINC000567791597 326259105 /nfs/dbraw/zinc/25/91/05/326259105.db2.gz XPYSNGQGGHTOAE-UHFFFAOYSA-N 1 2 206.249 -0.216 20 0 BBADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1nnc(C)[nH]1 ZINC000567812371 326261649 /nfs/dbraw/zinc/26/16/49/326261649.db2.gz UPABVVPIUWJFBG-HTQZYQBOSA-N 1 2 212.253 -0.383 20 0 BBADLO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1nnnn1C ZINC000567812587 326261573 /nfs/dbraw/zinc/26/15/73/326261573.db2.gz ALAKXMYBRJJTOI-BWZBUEFSSA-N 1 2 227.268 -0.726 20 0 BBADLO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1nnnn1C ZINC000567812588 326261283 /nfs/dbraw/zinc/26/12/83/326261283.db2.gz ALAKXMYBRJJTOI-XLPZGREQSA-N 1 2 227.268 -0.726 20 0 BBADLO CCn1nncc1C[N@@H+](C)CCNC(C)=O ZINC000567812884 326261879 /nfs/dbraw/zinc/26/18/79/326261879.db2.gz LTEPIVNVLPLNOH-UHFFFAOYSA-N 1 2 225.296 -0.134 20 0 BBADLO CCn1nncc1C[N@H+](C)CCNC(C)=O ZINC000567812884 326261878 /nfs/dbraw/zinc/26/18/78/326261878.db2.gz LTEPIVNVLPLNOH-UHFFFAOYSA-N 1 2 225.296 -0.134 20 0 BBADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1ncnn1CCF ZINC000567813040 326261907 /nfs/dbraw/zinc/26/19/07/326261907.db2.gz RAHUBTCJPBYJMM-RKDXNWHRSA-N 1 2 244.270 -0.249 20 0 BBADLO COc1ccnc(CNC(=O)Cn2cc[nH+]c2)n1 ZINC000567892085 326277550 /nfs/dbraw/zinc/27/75/50/326277550.db2.gz BCIFEHAAXMEYEE-UHFFFAOYSA-N 1 2 247.258 -0.002 20 0 BBADLO CN1CC[N@@H+](CCc2cn[nH]c2)CC1=O ZINC000567902190 326280019 /nfs/dbraw/zinc/28/00/19/326280019.db2.gz GPJLYMWSBLWZSX-UHFFFAOYSA-N 1 2 208.265 -0.274 20 0 BBADLO CN1CC[N@H+](CCc2cn[nH]c2)CC1=O ZINC000567902190 326280017 /nfs/dbraw/zinc/28/00/17/326280017.db2.gz GPJLYMWSBLWZSX-UHFFFAOYSA-N 1 2 208.265 -0.274 20 0 BBADLO CN(C(=O)Cn1cc[nH+]c1)C(C)(C)C(N)=O ZINC000567905700 326281046 /nfs/dbraw/zinc/28/10/46/326281046.db2.gz MQUJNYPQWOBOHG-UHFFFAOYSA-N 1 2 224.264 -0.395 20 0 BBADLO COc1c(N)nc[nH+]c1N1CC(C)(CO)C1 ZINC000567914967 326282944 /nfs/dbraw/zinc/28/29/44/326282944.db2.gz BZAUJZPVVIWHLW-UHFFFAOYSA-N 1 2 224.264 -0.114 20 0 BBADLO COc1c(N)[nH+]cnc1N1CC(C)(CO)C1 ZINC000567914967 326282942 /nfs/dbraw/zinc/28/29/42/326282942.db2.gz BZAUJZPVVIWHLW-UHFFFAOYSA-N 1 2 224.264 -0.114 20 0 BBADLO CC1(C(N)=O)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000567952063 326287637 /nfs/dbraw/zinc/28/76/37/326287637.db2.gz UALRROOVGQNZTE-UHFFFAOYSA-N 1 2 236.275 -0.324 20 0 BBADLO CC1(C(N)=O)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000567952063 326287635 /nfs/dbraw/zinc/28/76/35/326287635.db2.gz UALRROOVGQNZTE-UHFFFAOYSA-N 1 2 236.275 -0.324 20 0 BBADLO CC1(C(N)=O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000567952147 326287574 /nfs/dbraw/zinc/28/75/74/326287574.db2.gz XAXWRLKHMUJZFI-UHFFFAOYSA-N 1 2 222.248 -0.783 20 0 BBADLO NC(=O)[C@@H]1C[N@@H+](Cc2ncccc2O)CCO1 ZINC000567964950 326289167 /nfs/dbraw/zinc/28/91/67/326289167.db2.gz KGDVIJWYKPUZHR-JTQLQIEISA-N 1 2 237.259 -0.527 20 0 BBADLO NC(=O)[C@@H]1C[N@H+](Cc2ncccc2O)CCO1 ZINC000567964950 326289166 /nfs/dbraw/zinc/28/91/66/326289166.db2.gz KGDVIJWYKPUZHR-JTQLQIEISA-N 1 2 237.259 -0.527 20 0 BBADLO NC(=O)[C@H]1C[N@@H+](Cc2ncccc2O)CCO1 ZINC000567964951 326289230 /nfs/dbraw/zinc/28/92/30/326289230.db2.gz KGDVIJWYKPUZHR-SNVBAGLBSA-N 1 2 237.259 -0.527 20 0 BBADLO NC(=O)[C@H]1C[N@H+](Cc2ncccc2O)CCO1 ZINC000567964951 326289227 /nfs/dbraw/zinc/28/92/27/326289227.db2.gz KGDVIJWYKPUZHR-SNVBAGLBSA-N 1 2 237.259 -0.527 20 0 BBADLO Cc1c[nH]c(C(C)(C)NC(=O)Cn2cnnn2)[nH+]1 ZINC000568070005 326304061 /nfs/dbraw/zinc/30/40/61/326304061.db2.gz WMQKWTNIIVKMIA-UHFFFAOYSA-N 1 2 249.278 -0.244 20 0 BBADLO O=C(Cn1cc[nH+]c1)NCCN1CCCC1=O ZINC000568123690 326310358 /nfs/dbraw/zinc/31/03/58/326310358.db2.gz ZYJYOGVMLBEGHL-UHFFFAOYSA-N 1 2 236.275 -0.378 20 0 BBADLO CNC(=O)CN1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000568177565 326320527 /nfs/dbraw/zinc/32/05/27/326320527.db2.gz YNZJZQNGMDRZEJ-LLVKDONJSA-N 1 2 241.335 -0.471 20 0 BBADLO CNC(=O)CN1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000568177566 326320406 /nfs/dbraw/zinc/32/04/06/326320406.db2.gz YNZJZQNGMDRZEJ-NSHDSACASA-N 1 2 241.335 -0.471 20 0 BBADLO C[C@@H]1C[N@@H+](CCCC(=O)N(C)C)CC(=O)N1 ZINC000568180737 326321708 /nfs/dbraw/zinc/32/17/08/326321708.db2.gz AVPPNTBFOSCJCO-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO C[C@@H]1C[N@H+](CCCC(=O)N(C)C)CC(=O)N1 ZINC000568180737 326321705 /nfs/dbraw/zinc/32/17/05/326321705.db2.gz AVPPNTBFOSCJCO-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO C[C@H]1C[N@@H+](CCCC(=O)N(C)C)CC(=O)N1 ZINC000568180738 326321551 /nfs/dbraw/zinc/32/15/51/326321551.db2.gz AVPPNTBFOSCJCO-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO C[C@H]1C[N@H+](CCCC(=O)N(C)C)CC(=O)N1 ZINC000568180738 326321549 /nfs/dbraw/zinc/32/15/49/326321549.db2.gz AVPPNTBFOSCJCO-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)C(N)=O ZINC000568183848 326322592 /nfs/dbraw/zinc/32/25/92/326322592.db2.gz CKDGCKOJRNNFPO-SSDOTTSWSA-N 1 2 213.281 -0.682 20 0 BBADLO C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)C(N)=O ZINC000568183849 326322509 /nfs/dbraw/zinc/32/25/09/326322509.db2.gz CKDGCKOJRNNFPO-ZETCQYMHSA-N 1 2 213.281 -0.682 20 0 BBADLO CC1(C)C[NH+](CC(=O)NC2(CO)CC2)C1 ZINC000568195962 326324424 /nfs/dbraw/zinc/32/44/24/326324424.db2.gz VSPBPFIQIDPGHQ-UHFFFAOYSA-N 1 2 212.293 -0.031 20 0 BBADLO C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)C(=O)N(C)C ZINC000568199059 326324760 /nfs/dbraw/zinc/32/47/60/326324760.db2.gz PDSNLUUUPLMLGG-SECBINFHSA-N 1 2 241.335 -0.079 20 0 BBADLO C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)C(=O)N(C)C ZINC000568199060 326324708 /nfs/dbraw/zinc/32/47/08/326324708.db2.gz PDSNLUUUPLMLGG-VIFPVBQESA-N 1 2 241.335 -0.079 20 0 BBADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@H](O)CO ZINC000568203822 326325843 /nfs/dbraw/zinc/32/58/43/326325843.db2.gz VEEFLHFJJGAFSW-SCZZXKLOSA-N 1 2 241.291 -0.600 20 0 BBADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@H](O)CO ZINC000568203822 326325842 /nfs/dbraw/zinc/32/58/42/326325842.db2.gz VEEFLHFJJGAFSW-SCZZXKLOSA-N 1 2 241.291 -0.600 20 0 BBADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@H](O)CO ZINC000568203823 326325749 /nfs/dbraw/zinc/32/57/49/326325749.db2.gz VEEFLHFJJGAFSW-WPRPVWTQSA-N 1 2 241.291 -0.600 20 0 BBADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@H](O)CO ZINC000568203823 326325747 /nfs/dbraw/zinc/32/57/47/326325747.db2.gz VEEFLHFJJGAFSW-WPRPVWTQSA-N 1 2 241.291 -0.600 20 0 BBADLO C[C@@H](O)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000568206021 326326365 /nfs/dbraw/zinc/32/63/65/326326365.db2.gz AODWVQFTCYBVDE-AXFHLTTASA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@@H](O)C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000568206022 326326055 /nfs/dbraw/zinc/32/60/55/326326055.db2.gz AODWVQFTCYBVDE-MXWKQRLJSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC(C)(CO)CO ZINC000568207118 326326387 /nfs/dbraw/zinc/32/63/87/326326387.db2.gz YDWAWKHWCDORFT-MRVPVSSYSA-N 1 2 241.291 -0.552 20 0 BBADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(CO)CO ZINC000568207118 326326385 /nfs/dbraw/zinc/32/63/85/326326385.db2.gz YDWAWKHWCDORFT-MRVPVSSYSA-N 1 2 241.291 -0.552 20 0 BBADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC(C)(CO)CO ZINC000568207121 326326317 /nfs/dbraw/zinc/32/63/17/326326317.db2.gz YDWAWKHWCDORFT-QMMMGPOBSA-N 1 2 241.291 -0.552 20 0 BBADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(CO)CO ZINC000568207121 326326315 /nfs/dbraw/zinc/32/63/15/326326315.db2.gz YDWAWKHWCDORFT-QMMMGPOBSA-N 1 2 241.291 -0.552 20 0 BBADLO CO[C@@H]1COC[C@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000568228092 326329595 /nfs/dbraw/zinc/32/95/95/326329595.db2.gz ODEOIMIBRKFMSB-NXEZZACHSA-N 1 2 242.319 -0.142 20 0 BBADLO Cc1c[nH+]c(C)nc1NCC(=O)NCCO ZINC000568250523 411734729 /nfs/dbraw/zinc/73/47/29/411734729.db2.gz SJUIKGKEUSVLOY-UHFFFAOYSA-N 1 2 224.264 -0.386 20 0 BBADLO Cc1c[nH+]c(C)nc1NC[C@](C)(O)CO ZINC000568252007 411299021 /nfs/dbraw/zinc/29/90/21/411299021.db2.gz DUXRKJWUWHICNC-JTQLQIEISA-N 1 2 211.265 0.249 20 0 BBADLO Cc1c[nH+]c(C)nc1NC[C@@](C)(O)CO ZINC000568252008 411736651 /nfs/dbraw/zinc/73/66/51/411736651.db2.gz DUXRKJWUWHICNC-SNVBAGLBSA-N 1 2 211.265 0.249 20 0 BBADLO C[C@@]1(C[NH2+]C[C@H]2C[NH2+]CCO2)CC[NH2+]C1 ZINC000568268755 326337662 /nfs/dbraw/zinc/33/76/62/326337662.db2.gz IKZYQTGXUROHAW-GHMZBOCLSA-N 1 2 213.325 -0.436 20 0 BBADLO C[C@]1(C[NH2+]C[C@H]2C[NH2+]CCO2)CC[NH2+]C1 ZINC000568268756 326337564 /nfs/dbraw/zinc/33/75/64/326337564.db2.gz IKZYQTGXUROHAW-MNOVXSKESA-N 1 2 213.325 -0.436 20 0 BBADLO C[C@]1(C[NH2+]C[C@@H]2C[NH2+]CCO2)CC[NH2+]C1 ZINC000568268757 326337671 /nfs/dbraw/zinc/33/76/71/326337671.db2.gz IKZYQTGXUROHAW-QWRGUYRKSA-N 1 2 213.325 -0.436 20 0 BBADLO C[C@@]1(C[NH2+]C[C@@H]2C[NH2+]CCO2)CC[NH2+]C1 ZINC000568268758 326337657 /nfs/dbraw/zinc/33/76/57/326337657.db2.gz IKZYQTGXUROHAW-WDEREUQCSA-N 1 2 213.325 -0.436 20 0 BBADLO C[C@H](CC(=O)N(C)CC(N)=O)n1cc[nH+]c1 ZINC000568276818 326340062 /nfs/dbraw/zinc/34/00/62/326340062.db2.gz JWGYLOZWTHVESP-MRVPVSSYSA-N 1 2 224.264 -0.222 20 0 BBADLO C[C@@H](CC(=O)N(C)CC(N)=O)n1cc[nH+]c1 ZINC000568276819 326339986 /nfs/dbraw/zinc/33/99/86/326339986.db2.gz JWGYLOZWTHVESP-QMMMGPOBSA-N 1 2 224.264 -0.222 20 0 BBADLO Cn1ncc2c1nc(N)[nH+]c2NCCO ZINC000568295226 411958805 /nfs/dbraw/zinc/95/88/05/411958805.db2.gz UKWQAYRCJDVUJT-UHFFFAOYSA-N 1 2 208.225 -0.650 20 0 BBADLO Cn1ccc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)n1 ZINC000568320622 326344432 /nfs/dbraw/zinc/34/44/32/326344432.db2.gz FVPKXZXCNHKRKZ-GXSJLCMTSA-N 1 2 225.292 -0.405 20 0 BBADLO Cn1ccc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)n1 ZINC000568320622 326344428 /nfs/dbraw/zinc/34/44/28/326344428.db2.gz FVPKXZXCNHKRKZ-GXSJLCMTSA-N 1 2 225.292 -0.405 20 0 BBADLO Cn1ccc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)n1 ZINC000568320623 326344328 /nfs/dbraw/zinc/34/43/28/326344328.db2.gz FVPKXZXCNHKRKZ-KOLCDFICSA-N 1 2 225.292 -0.405 20 0 BBADLO Cn1ccc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)n1 ZINC000568320623 326344326 /nfs/dbraw/zinc/34/43/26/326344326.db2.gz FVPKXZXCNHKRKZ-KOLCDFICSA-N 1 2 225.292 -0.405 20 0 BBADLO Cn1ccc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)n1 ZINC000568320624 326344511 /nfs/dbraw/zinc/34/45/11/326344511.db2.gz FVPKXZXCNHKRKZ-MWLCHTKSSA-N 1 2 225.292 -0.405 20 0 BBADLO Cn1ccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)n1 ZINC000568320624 326344510 /nfs/dbraw/zinc/34/45/10/326344510.db2.gz FVPKXZXCNHKRKZ-MWLCHTKSSA-N 1 2 225.292 -0.405 20 0 BBADLO Cn1ccc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)n1 ZINC000568320625 326344502 /nfs/dbraw/zinc/34/45/02/326344502.db2.gz FVPKXZXCNHKRKZ-ONGXEEELSA-N 1 2 225.292 -0.405 20 0 BBADLO Cn1ccc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)n1 ZINC000568320625 326344501 /nfs/dbraw/zinc/34/45/01/326344501.db2.gz FVPKXZXCNHKRKZ-ONGXEEELSA-N 1 2 225.292 -0.405 20 0 BBADLO CC1(C(N)=O)C[NH+](Cc2nccc(N)n2)C1 ZINC000568386949 411888272 /nfs/dbraw/zinc/88/82/72/411888272.db2.gz GVYMAKVRCJTWHI-UHFFFAOYSA-N 1 2 221.264 -0.634 20 0 BBADLO CC(=O)NCC[N@H+](C)CC(=O)NCC1CCC1 ZINC000568390566 326353177 /nfs/dbraw/zinc/35/31/77/326353177.db2.gz VILBOVOVKSOXAH-UHFFFAOYSA-N 1 2 241.335 -0.029 20 0 BBADLO CC(=O)NCC[N@@H+](C)CC(=O)NCC1CCC1 ZINC000568390566 326353175 /nfs/dbraw/zinc/35/31/75/326353175.db2.gz VILBOVOVKSOXAH-UHFFFAOYSA-N 1 2 241.335 -0.029 20 0 BBADLO COC[C@@](C)(CCO)NC(=O)Cn1cc[nH+]c1 ZINC000568429683 326356702 /nfs/dbraw/zinc/35/67/02/326356702.db2.gz CHDFPLGHMIHALP-LLVKDONJSA-N 1 2 241.291 -0.213 20 0 BBADLO COC[C@](C)(CCO)NC(=O)Cn1cc[nH+]c1 ZINC000568429684 326356670 /nfs/dbraw/zinc/35/66/70/326356670.db2.gz CHDFPLGHMIHALP-NSHDSACASA-N 1 2 241.291 -0.213 20 0 BBADLO CC(=O)NCCN(C)c1[nH+]cnc2c1cnn2C ZINC000568505805 326360592 /nfs/dbraw/zinc/36/05/92/326360592.db2.gz KQPPHRMKQOPGFY-UHFFFAOYSA-N 1 2 248.290 -0.064 20 0 BBADLO COCC(COC)NC(=O)Cn1cc[nH+]c1 ZINC000568522583 326358506 /nfs/dbraw/zinc/35/85/06/326358506.db2.gz YRDQBORSHBJHNZ-UHFFFAOYSA-N 1 2 227.264 -0.339 20 0 BBADLO CC1(C)C[NH+](CC(=O)N2CCOC[C@@H](O)C2)C1 ZINC000568529326 326363467 /nfs/dbraw/zinc/36/34/67/326363467.db2.gz FHYVBWIVUJTVKG-JTQLQIEISA-N 1 2 242.319 -0.452 20 0 BBADLO CC1(C)C[NH+](CC(=O)N2CCOC[C@H](O)C2)C1 ZINC000568529452 326363739 /nfs/dbraw/zinc/36/37/39/326363739.db2.gz FHYVBWIVUJTVKG-SNVBAGLBSA-N 1 2 242.319 -0.452 20 0 BBADLO CC(C)N1CC[N@@H+](CC2(CO)COC2)CC1=O ZINC000568548382 326365005 /nfs/dbraw/zinc/36/50/05/326365005.db2.gz KVAWKQVNFIYYLI-UHFFFAOYSA-N 1 2 242.319 -0.452 20 0 BBADLO CC(C)N1CC[N@H+](CC2(CO)COC2)CC1=O ZINC000568548382 326365004 /nfs/dbraw/zinc/36/50/04/326365004.db2.gz KVAWKQVNFIYYLI-UHFFFAOYSA-N 1 2 242.319 -0.452 20 0 BBADLO Cn1cc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)nn1 ZINC000568645109 326370438 /nfs/dbraw/zinc/37/04/38/326370438.db2.gz YJJAXDYOKRVQLN-JTQLQIEISA-N 1 2 237.307 -0.132 20 0 BBADLO Cn1cc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)nn1 ZINC000568645109 326370436 /nfs/dbraw/zinc/37/04/36/326370436.db2.gz YJJAXDYOKRVQLN-JTQLQIEISA-N 1 2 237.307 -0.132 20 0 BBADLO Cn1cc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)nn1 ZINC000568645111 326370382 /nfs/dbraw/zinc/37/03/82/326370382.db2.gz YJJAXDYOKRVQLN-SNVBAGLBSA-N 1 2 237.307 -0.132 20 0 BBADLO Cn1cc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)nn1 ZINC000568645111 326370380 /nfs/dbraw/zinc/37/03/80/326370380.db2.gz YJJAXDYOKRVQLN-SNVBAGLBSA-N 1 2 237.307 -0.132 20 0 BBADLO C[C@H]1COCC[N@H+]1CCNC(=O)C(C)(C)CO ZINC000568646008 326370714 /nfs/dbraw/zinc/37/07/14/326370714.db2.gz FEZJMNLOSYZCLI-JTQLQIEISA-N 1 2 244.335 -0.158 20 0 BBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)CO ZINC000568646008 326370713 /nfs/dbraw/zinc/37/07/13/326370713.db2.gz FEZJMNLOSYZCLI-JTQLQIEISA-N 1 2 244.335 -0.158 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(C)(C)CO ZINC000568646009 326370688 /nfs/dbraw/zinc/37/06/88/326370688.db2.gz FEZJMNLOSYZCLI-SNVBAGLBSA-N 1 2 244.335 -0.158 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)CO ZINC000568646009 326370687 /nfs/dbraw/zinc/37/06/87/326370687.db2.gz FEZJMNLOSYZCLI-SNVBAGLBSA-N 1 2 244.335 -0.158 20 0 BBADLO OCC(CO)[NH2+]Cc1ncc(C2CC2)o1 ZINC000568659916 326371576 /nfs/dbraw/zinc/37/15/76/326371576.db2.gz NAPKVWGDRMRHCM-UHFFFAOYSA-N 1 2 212.249 -0.005 20 0 BBADLO CC(C)(CNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC000568695067 326372527 /nfs/dbraw/zinc/37/25/27/326372527.db2.gz MWNDXIQCBLVCEB-UHFFFAOYSA-N 1 2 224.264 -0.489 20 0 BBADLO CCCCN(CC(N)=O)C(=O)Cn1cc[nH+]c1 ZINC000568695083 326372571 /nfs/dbraw/zinc/37/25/71/326372571.db2.gz OMVHPJUMSOLQEZ-UHFFFAOYSA-N 1 2 238.291 -0.003 20 0 BBADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000568759972 326375585 /nfs/dbraw/zinc/37/55/85/326375585.db2.gz CBLIWLFOPJAUMK-PHDIDXHHSA-N 1 2 214.225 -0.986 20 0 BBADLO NC(=O)[C@@]1([NH2+]Cc2ccc(F)cn2)CCOC1 ZINC000568763373 326376128 /nfs/dbraw/zinc/37/61/28/326376128.db2.gz HVEFDOFXZFWPCX-LLVKDONJSA-N 1 2 239.250 -0.045 20 0 BBADLO NC(=O)[C@]1([NH2+]Cc2ccc(F)cn2)CCOC1 ZINC000568763374 326376020 /nfs/dbraw/zinc/37/60/20/326376020.db2.gz HVEFDOFXZFWPCX-NSHDSACASA-N 1 2 239.250 -0.045 20 0 BBADLO C[C@@H](C(=O)N[C@@H]1C[C@H]1CO)[NH+]1CCOCC1 ZINC000568900641 385105641 /nfs/dbraw/zinc/10/56/41/385105641.db2.gz UYKAVZDYZWNVIA-LPEHRKFASA-N 1 2 228.292 -0.796 20 0 BBADLO Nc1ccc(NC(=O)C(=O)NCC2CC2)c[nH+]1 ZINC000568983207 411956468 /nfs/dbraw/zinc/95/64/68/411956468.db2.gz GEXVCDKQEXIXKL-UHFFFAOYSA-N 1 2 234.259 0.129 20 0 BBADLO C[C@H]1C[N@@H+](CCNC(=O)C(C)(C)CO)CCO1 ZINC000569016809 326387005 /nfs/dbraw/zinc/38/70/05/326387005.db2.gz FUJRTJJUKKTRDW-JTQLQIEISA-N 1 2 244.335 -0.158 20 0 BBADLO C[C@H]1C[N@H+](CCNC(=O)C(C)(C)CO)CCO1 ZINC000569016809 326387004 /nfs/dbraw/zinc/38/70/04/326387004.db2.gz FUJRTJJUKKTRDW-JTQLQIEISA-N 1 2 244.335 -0.158 20 0 BBADLO C[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)CO)CCO1 ZINC000569016810 326387075 /nfs/dbraw/zinc/38/70/75/326387075.db2.gz FUJRTJJUKKTRDW-SNVBAGLBSA-N 1 2 244.335 -0.158 20 0 BBADLO C[C@@H]1C[N@H+](CCNC(=O)C(C)(C)CO)CCO1 ZINC000569016810 326387073 /nfs/dbraw/zinc/38/70/73/326387073.db2.gz FUJRTJJUKKTRDW-SNVBAGLBSA-N 1 2 244.335 -0.158 20 0 BBADLO Cc1nc2[nH]ccc2c(NCc2nnn(C)n2)[nH+]1 ZINC000569177705 411777511 /nfs/dbraw/zinc/77/75/11/411777511.db2.gz PPJXCNXDNUBCLY-UHFFFAOYSA-N 1 2 244.262 0.402 20 0 BBADLO 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CC(=O)[C@](C)(O)C[N@@H+]1CCN(C(=O)C2CC2)C1 ZINC000569469489 384090444 /nfs/dbraw/zinc/09/04/44/384090444.db2.gz BXRPQJKRBIMHAV-GFCCVEGCSA-N 1 2 240.303 -0.162 20 0 BBADLO CC(=O)[C@@](C)(O)C[N@H+]1CCN(C(=O)C2CC2)C1 ZINC000569469490 384088738 /nfs/dbraw/zinc/08/87/38/384088738.db2.gz BXRPQJKRBIMHAV-LBPRGKRZSA-N 1 2 240.303 -0.162 20 0 BBADLO CC(=O)[C@@](C)(O)C[N@@H+]1CCN(C(=O)C2CC2)C1 ZINC000569469490 384088736 /nfs/dbraw/zinc/08/87/36/384088736.db2.gz BXRPQJKRBIMHAV-LBPRGKRZSA-N 1 2 240.303 -0.162 20 0 BBADLO Cn1ncc2c1nc(N)[nH+]c2N1CC(CO)C1 ZINC000569504504 411954453 /nfs/dbraw/zinc/95/44/53/411954453.db2.gz WETFIQNTIKBTNM-UHFFFAOYSA-N 1 2 234.263 -0.626 20 0 BBADLO c1[nH+]cn2c1CN(c1nccn3nnnc13)CC2 ZINC000569519077 322968756 /nfs/dbraw/zinc/96/87/56/322968756.db2.gz ZIPSEULEVQNFNT-UHFFFAOYSA-N 1 2 242.246 -0.264 20 0 BBADLO CS(=O)(=O)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000569584575 384289503 /nfs/dbraw/zinc/28/95/03/384289503.db2.gz XMIFCSHLJSFWCS-UHFFFAOYSA-N 1 2 243.288 -0.862 20 0 BBADLO C[C@@H](C(=O)Nc1nn[nH]n1)[NH+]1CC(C)C1 ZINC000569589909 384290616 /nfs/dbraw/zinc/29/06/16/384290616.db2.gz QNKDIKSXNSEAQD-LURJTMIESA-N 1 2 210.241 -0.522 20 0 BBADLO C[C@H](C(=O)Nc1nn[nH]n1)[NH+]1CC(C)C1 ZINC000569589910 384288816 /nfs/dbraw/zinc/28/88/16/384288816.db2.gz QNKDIKSXNSEAQD-ZCFIWIBFSA-N 1 2 210.241 -0.522 20 0 BBADLO [NH3+]C[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000569607244 384531580 /nfs/dbraw/zinc/53/15/80/384531580.db2.gz YHRVIWWGAZXWMO-LLVKDONJSA-N 1 2 240.351 -0.769 20 0 BBADLO [NH3+]C[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000569607244 384531574 /nfs/dbraw/zinc/53/15/74/384531574.db2.gz YHRVIWWGAZXWMO-LLVKDONJSA-N 1 2 240.351 -0.769 20 0 BBADLO CC1(C(N)=O)C[NH+](CC(=O)NC2CC2)C1 ZINC000569690147 323037117 /nfs/dbraw/zinc/03/71/17/323037117.db2.gz YSKLJPIRGKQDKP-UHFFFAOYSA-N 1 2 211.265 -0.928 20 0 BBADLO Cn1nnc(C[NH2+]C[C@H](O)Cc2ccccc2)n1 ZINC000569716903 323038477 /nfs/dbraw/zinc/03/84/77/323038477.db2.gz VMRIDIWHLIVERV-LLVKDONJSA-N 1 2 247.302 -0.097 20 0 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236.275 -0.154 20 0 BBADLO COC(=O)[C@H](CO)[NH2+]CC1(O)CCC1 ZINC000570279401 323054798 /nfs/dbraw/zinc/05/47/98/323054798.db2.gz DLRQHZVZFOVETB-ZETCQYMHSA-N 1 2 203.238 -0.975 20 0 BBADLO C[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)CC(=O)N1 ZINC000570291620 323055369 /nfs/dbraw/zinc/05/53/69/323055369.db2.gz IWGODAKMXSSHOK-SECBINFHSA-N 1 2 239.319 -0.325 20 0 BBADLO C[C@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)CC(=O)N1 ZINC000570291621 323055464 /nfs/dbraw/zinc/05/54/64/323055464.db2.gz IWGODAKMXSSHOK-VIFPVBQESA-N 1 2 239.319 -0.325 20 0 BBADLO CC[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)C(N)=O ZINC000570292583 323055485 /nfs/dbraw/zinc/05/54/85/323055485.db2.gz JKUUUINFQGJRRT-MRVPVSSYSA-N 1 2 227.308 -0.292 20 0 BBADLO CN(CC(C)(CO)CO)C(=O)Cn1cc[nH+]c1 ZINC000570306932 323055994 /nfs/dbraw/zinc/05/59/94/323055994.db2.gz HIYSBZHLPQAYIW-UHFFFAOYSA-N 1 2 241.291 -0.668 20 0 BBADLO Cc1cc(NC(=O)NCc2nnn(C)n2)cc[nH+]1 ZINC000570380684 323057808 /nfs/dbraw/zinc/05/78/08/323057808.db2.gz IBYJLUYREUCOHP-UHFFFAOYSA-N 1 2 247.262 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CVVVYHKPZMBCQO-HTQZYQBOSA-N 1 2 224.264 -0.438 20 0 BBADLO Cc1c[nH]c(NC(=O)CN2CC[NH2+]CC2=O)n1 ZINC000570839092 323072288 /nfs/dbraw/zinc/07/22/88/323072288.db2.gz DODFVIALDDINKV-UHFFFAOYSA-N 1 2 237.263 -0.912 20 0 BBADLO OC[C@H]1C[N@@H+](Cc2ncccc2O)CCO1 ZINC000570859368 323072760 /nfs/dbraw/zinc/07/27/60/323072760.db2.gz OERVINTXRPPEAV-SECBINFHSA-N 1 2 224.260 -0.020 20 0 BBADLO OC[C@H]1C[N@H+](Cc2ncccc2O)CCO1 ZINC000570859368 323072759 /nfs/dbraw/zinc/07/27/59/323072759.db2.gz OERVINTXRPPEAV-SECBINFHSA-N 1 2 224.260 -0.020 20 0 BBADLO OC[C@@H]1C[N@@H+](Cc2ncccc2O)CCO1 ZINC000570859370 323072856 /nfs/dbraw/zinc/07/28/56/323072856.db2.gz OERVINTXRPPEAV-VIFPVBQESA-N 1 2 224.260 -0.020 20 0 BBADLO OC[C@@H]1C[N@H+](Cc2ncccc2O)CCO1 ZINC000570859370 323072855 /nfs/dbraw/zinc/07/28/55/323072855.db2.gz OERVINTXRPPEAV-VIFPVBQESA-N 1 2 224.260 -0.020 20 0 BBADLO CCn1nncc1C[NH+]1CC(C)(C(N)=O)C1 ZINC000570958880 323101580 /nfs/dbraw/zinc/10/15/80/323101580.db2.gz QGLFLODRPGEZPM-UHFFFAOYSA-N 1 2 223.280 -0.395 20 0 BBADLO C[C@@H](O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000571015219 323103721 /nfs/dbraw/zinc/10/37/21/323103721.db2.gz XENQBIRYVZRKGO-SNVBAGLBSA-N 1 2 244.335 -0.064 20 0 BBADLO C[C@@H](O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000571015219 323103720 /nfs/dbraw/zinc/10/37/20/323103720.db2.gz XENQBIRYVZRKGO-SNVBAGLBSA-N 1 2 244.335 -0.064 20 0 BBADLO CC1(C(N)=O)C[NH+](CC(=O)Nc2ccncc2)C1 ZINC000571080424 323135012 /nfs/dbraw/zinc/13/50/12/323135012.db2.gz XVNAJHVYQRFHPP-UHFFFAOYSA-N 1 2 248.286 -0.751 20 0 BBADLO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1nccc(N)n1 ZINC000571104519 411895141 /nfs/dbraw/zinc/89/51/41/411895141.db2.gz QQAOKDJYDZJPFR-HRDYMLBCSA-N 1 2 238.291 0.123 20 0 BBADLO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1nccc(N)n1 ZINC000571104522 411896029 /nfs/dbraw/zinc/89/60/29/411896029.db2.gz QQAOKDJYDZJPFR-XHNCKOQMSA-N 1 2 238.291 0.123 20 0 BBADLO CN(C)C(=O)CN(C)C(=O)C[NH+]1CC(C)(C)C1 ZINC000571113395 323135941 /nfs/dbraw/zinc/13/59/41/323135941.db2.gz JPWVWHHEELYBOL-UHFFFAOYSA-N 1 2 241.335 -0.125 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+](C)CCCS(N)(=O)=O ZINC000571138008 323136472 /nfs/dbraw/zinc/13/64/72/323136472.db2.gz PTNFVCDUAYBPSJ-SSDOTTSWSA-N 1 2 238.309 -0.842 20 0 BBADLO COC(=O)[C@@H](C)[N@H+](C)CCCS(N)(=O)=O ZINC000571138008 323136471 /nfs/dbraw/zinc/13/64/71/323136471.db2.gz PTNFVCDUAYBPSJ-SSDOTTSWSA-N 1 2 238.309 -0.842 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CC(N)=O ZINC000571150929 323136607 /nfs/dbraw/zinc/13/66/07/323136607.db2.gz VYTHDXYDCSDLDD-SECBINFHSA-N 1 2 243.307 -0.959 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CC(N)=O ZINC000571150930 323136522 /nfs/dbraw/zinc/13/65/22/323136522.db2.gz VYTHDXYDCSDLDD-VIFPVBQESA-N 1 2 243.307 -0.959 20 0 BBADLO CNC(=O)NCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000571172301 323137515 /nfs/dbraw/zinc/13/75/15/323137515.db2.gz UDOKBUYKJCATQR-UHFFFAOYSA-N 1 2 239.279 -0.310 20 0 BBADLO Cn1nnnc1C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000571222544 323138430 /nfs/dbraw/zinc/13/84/30/323138430.db2.gz GQMZAPFHIXYEOZ-MRVPVSSYSA-N 1 2 238.295 -0.737 20 0 BBADLO Cn1nnnc1C[N@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000571222544 323138429 /nfs/dbraw/zinc/13/84/29/323138429.db2.gz GQMZAPFHIXYEOZ-MRVPVSSYSA-N 1 2 238.295 -0.737 20 0 BBADLO Cn1nnnc1C[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000571222553 323138473 /nfs/dbraw/zinc/13/84/73/323138473.db2.gz GQMZAPFHIXYEOZ-QMMMGPOBSA-N 1 2 238.295 -0.737 20 0 BBADLO Cn1nnnc1C[N@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000571222553 323138472 /nfs/dbraw/zinc/13/84/72/323138472.db2.gz GQMZAPFHIXYEOZ-QMMMGPOBSA-N 1 2 238.295 -0.737 20 0 BBADLO Cn1ncc2c1nc(N)[nH+]c2N1CC[C@H](O)C1 ZINC000571225133 411956982 /nfs/dbraw/zinc/95/69/82/411956982.db2.gz UJENXEQPODWJPV-LURJTMIESA-N 1 2 234.263 -0.484 20 0 BBADLO COC(=O)[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@H](C)O ZINC000571225961 323138695 /nfs/dbraw/zinc/13/86/95/323138695.db2.gz FQHJYAMSJFLTQI-JLIMGVALSA-N 1 2 231.292 -0.198 20 0 BBADLO COC(=O)[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@@H](C)O ZINC000571225962 323138638 /nfs/dbraw/zinc/13/86/38/323138638.db2.gz FQHJYAMSJFLTQI-KYXWUPHJSA-N 1 2 231.292 -0.198 20 0 BBADLO COC(=O)[C@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@H](C)O ZINC000571225963 323138725 /nfs/dbraw/zinc/13/87/25/323138725.db2.gz FQHJYAMSJFLTQI-SGIHWFKDSA-N 1 2 231.292 -0.198 20 0 BBADLO COC(=O)[C@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@@H](C)O ZINC000571225964 323138632 /nfs/dbraw/zinc/13/86/32/323138632.db2.gz FQHJYAMSJFLTQI-ZYUZMQFOSA-N 1 2 231.292 -0.198 20 0 BBADLO CN(CC(N)=O)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000571287037 323140338 /nfs/dbraw/zinc/14/03/38/323140338.db2.gz BKKYFDUINGEJOT-MRVPVSSYSA-N 1 2 236.275 -0.611 20 0 BBADLO CN(CC(N)=O)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000571287040 323140367 /nfs/dbraw/zinc/14/03/67/323140367.db2.gz BKKYFDUINGEJOT-QMMMGPOBSA-N 1 2 236.275 -0.611 20 0 BBADLO CC1(C(N)=O)C[NH+](Cc2cnns2)C1 ZINC000571320542 323141380 /nfs/dbraw/zinc/14/13/80/323141380.db2.gz OAECTWHATDCLTM-UHFFFAOYSA-N 1 2 212.278 -0.155 20 0 BBADLO CNc1[nH+]cnc2c1cnn2CCOCCO ZINC000571512943 323146433 /nfs/dbraw/zinc/14/64/33/323146433.db2.gz WCPNNFPADISUSB-UHFFFAOYSA-N 1 2 237.263 -0.123 20 0 BBADLO COC(=O)[C@H](CO)[NH2+]CC1(O)CCCC1 ZINC000571524337 323147368 /nfs/dbraw/zinc/14/73/68/323147368.db2.gz WTDCRASYAQRSCD-QMMMGPOBSA-N 1 2 217.265 -0.585 20 0 BBADLO CC(F)(F)C[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000571552424 323147828 /nfs/dbraw/zinc/14/78/28/323147828.db2.gz VMVODZGLUSEJLW-SECBINFHSA-N 1 2 238.278 -0.076 20 0 BBADLO CC(F)(F)C[NH2+]C[C@H](O)CN1CCOCC1 ZINC000571552426 323147832 /nfs/dbraw/zinc/14/78/32/323147832.db2.gz VMVODZGLUSEJLW-VIFPVBQESA-N 1 2 238.278 -0.076 20 0 BBADLO Cn1c[nH+]cc1CNc1nccn2nnnc12 ZINC000571608379 410721980 /nfs/dbraw/zinc/72/19/80/410721980.db2.gz DCRCJPNVMFOWGU-UHFFFAOYSA-N 1 2 230.235 -0.135 20 0 BBADLO O=S(=O)(NC1CC1)N1CCn2c[nH+]cc2C1 ZINC000571630358 323150028 /nfs/dbraw/zinc/15/00/28/323150028.db2.gz LTZKMBVRDLEIDI-UHFFFAOYSA-N 1 2 242.304 -0.305 20 0 BBADLO CN1CC[N@H+](CCCS(N)(=O)=O)CC1(C)C ZINC000571654225 351597465 /nfs/dbraw/zinc/59/74/65/351597465.db2.gz NFIQVQXYPCEZPM-UHFFFAOYSA-N 1 2 249.380 -0.309 20 0 BBADLO CCOCCNC(=O)C[N@@H+](C)CCNC(C)=O ZINC000571676736 323324522 /nfs/dbraw/zinc/32/45/22/323324522.db2.gz XBBNCRQGAHJUJD-UHFFFAOYSA-N 1 2 245.323 -0.793 20 0 BBADLO CCOCCNC(=O)C[N@H+](C)CCNC(C)=O ZINC000571676736 323324520 /nfs/dbraw/zinc/32/45/20/323324520.db2.gz XBBNCRQGAHJUJD-UHFFFAOYSA-N 1 2 245.323 -0.793 20 0 BBADLO Cc1nnc([C@H](C)[NH+]2CC(C)(C(N)=O)C2)[nH]1 ZINC000571758283 387160793 /nfs/dbraw/zinc/16/07/93/387160793.db2.gz MZLZTOJKJVGMHH-LURJTMIESA-N 1 2 223.280 -0.019 20 0 BBADLO Cc1nnc([C@@H](C)[NH+]2CC(C)(C(N)=O)C2)[nH]1 ZINC000571758286 387161287 /nfs/dbraw/zinc/16/12/87/387161287.db2.gz MZLZTOJKJVGMHH-ZCFIWIBFSA-N 1 2 223.280 -0.019 20 0 BBADLO Cc1nc(N)c(CNC(=O)C2CC(=O)C2)c[nH+]1 ZINC000571764061 411986612 /nfs/dbraw/zinc/98/66/12/411986612.db2.gz RGCVUQCENDIYIZ-UHFFFAOYSA-N 1 2 234.259 -0.037 20 0 BBADLO CCNC(=O)[C@@H](C)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000571773225 323476252 /nfs/dbraw/zinc/47/62/52/323476252.db2.gz ASFOMGKVJBINQY-SECBINFHSA-N 1 2 241.335 -0.031 20 0 BBADLO CCNC(=O)[C@H](C)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000571773226 323476164 /nfs/dbraw/zinc/47/61/64/323476164.db2.gz ASFOMGKVJBINQY-VIFPVBQESA-N 1 2 241.335 -0.031 20 0 BBADLO CCNC(=O)C(C)(C)NC(=O)Cn1cc[nH+]c1 ZINC000571809795 323478147 /nfs/dbraw/zinc/47/81/47/323478147.db2.gz AJZDTFUYZGUXRZ-UHFFFAOYSA-N 1 2 238.291 -0.086 20 0 BBADLO COCC[N@@H+](Cc1cnccn1)[C@H](C)C(N)=O ZINC000571829175 387179566 /nfs/dbraw/zinc/17/95/66/387179566.db2.gz WSIDMTGZDYXXJP-SECBINFHSA-N 1 2 238.291 -0.201 20 0 BBADLO COCC[N@H+](Cc1cnccn1)[C@H](C)C(N)=O ZINC000571829175 387179561 /nfs/dbraw/zinc/17/95/61/387179561.db2.gz WSIDMTGZDYXXJP-SECBINFHSA-N 1 2 238.291 -0.201 20 0 BBADLO COCC[N@@H+](Cc1cnccn1)[C@@H](C)C(N)=O ZINC000571829176 387179866 /nfs/dbraw/zinc/17/98/66/387179866.db2.gz WSIDMTGZDYXXJP-VIFPVBQESA-N 1 2 238.291 -0.201 20 0 BBADLO COCC[N@H+](Cc1cnccn1)[C@@H](C)C(N)=O ZINC000571829176 387179861 /nfs/dbraw/zinc/17/98/61/387179861.db2.gz WSIDMTGZDYXXJP-VIFPVBQESA-N 1 2 238.291 -0.201 20 0 BBADLO CCn1nncc1C[N@H+]1CCn2nncc2C1 ZINC000571894512 387195660 /nfs/dbraw/zinc/19/56/60/387195660.db2.gz YEHOSPNTPWSQNL-UHFFFAOYSA-N 1 2 233.279 -0.095 20 0 BBADLO CCn1nncc1C[N@@H+]1CCn2nncc2C1 ZINC000571894512 387195656 /nfs/dbraw/zinc/19/56/56/387195656.db2.gz YEHOSPNTPWSQNL-UHFFFAOYSA-N 1 2 233.279 -0.095 20 0 BBADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1cn(C)nn1 ZINC000571914509 387203988 /nfs/dbraw/zinc/20/39/88/387203988.db2.gz IWYZDQPBHBQMDP-RKDXNWHRSA-N 1 2 212.253 -0.682 20 0 BBADLO COC(=O)[C@H]([NH2+]CC1(O)CCC1)[C@@H](C)O ZINC000571920604 323502788 /nfs/dbraw/zinc/50/27/88/323502788.db2.gz ABMLUISBKMEICO-HTQZYQBOSA-N 1 2 217.265 -0.587 20 0 BBADLO COC(=O)[C@H]([NH2+]CC1(O)CCC1)[C@H](C)O ZINC000571920606 387198050 /nfs/dbraw/zinc/19/80/50/387198050.db2.gz ABMLUISBKMEICO-JGVFFNPUSA-N 1 2 217.265 -0.587 20 0 BBADLO COC(=O)[C@@H]([NH2+]CC1(O)CCC1)[C@@H](C)O ZINC000571920607 387196318 /nfs/dbraw/zinc/19/63/18/387196318.db2.gz ABMLUISBKMEICO-SFYZADRCSA-N 1 2 217.265 -0.587 20 0 BBADLO COC(=O)[C@@H]([NH2+]CC1(O)CCC1)[C@H](C)O ZINC000571920608 323503111 /nfs/dbraw/zinc/50/31/11/323503111.db2.gz ABMLUISBKMEICO-YUMQZZPRSA-N 1 2 217.265 -0.587 20 0 BBADLO Cn1cc(NC(=O)Cn2cc[nH+]c2)cc1C(N)=O ZINC000571937651 323509153 /nfs/dbraw/zinc/50/91/53/323509153.db2.gz DSOJLMDVFPCOOP-UHFFFAOYSA-N 1 2 247.258 -0.041 20 0 BBADLO COCC[C@@H](CO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000572058788 387225546 /nfs/dbraw/zinc/22/55/46/387225546.db2.gz WNCCZXUNKXLCKT-JTQLQIEISA-N 1 2 244.335 -0.158 20 0 BBADLO COCC[C@H](CO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000572058789 387226204 /nfs/dbraw/zinc/22/62/04/387226204.db2.gz WNCCZXUNKXLCKT-SNVBAGLBSA-N 1 2 244.335 -0.158 20 0 BBADLO CCc1nnc(CNc2[nH+]cnc(N)c2OC)[nH]1 ZINC000572059006 488150887 /nfs/dbraw/zinc/15/08/87/488150887.db2.gz JHROTKKNFUMMGB-UHFFFAOYSA-N 1 2 249.278 0.360 20 0 BBADLO CCc1nnc(CNc2nc[nH+]c(N)c2OC)[nH]1 ZINC000572059006 488150880 /nfs/dbraw/zinc/15/08/80/488150880.db2.gz JHROTKKNFUMMGB-UHFFFAOYSA-N 1 2 249.278 0.360 20 0 BBADLO CC(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000572088234 323533457 /nfs/dbraw/zinc/53/34/57/323533457.db2.gz BUIMNZZHELYQRZ-UHFFFAOYSA-N 1 2 222.248 -0.770 20 0 BBADLO O=C(Cn1cc[nH+]c1)NCCNC(=O)C1CC1 ZINC000572088294 387229378 /nfs/dbraw/zinc/22/93/78/387229378.db2.gz JFSVIBPUXNQTFA-UHFFFAOYSA-N 1 2 236.275 -0.475 20 0 BBADLO CCO[C@@H]1COC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000572250500 323573034 /nfs/dbraw/zinc/57/30/34/323573034.db2.gz WVMLPJLTPJZECJ-NXEZZACHSA-N 1 2 239.275 -0.197 20 0 BBADLO CCN(CC(F)F)C(=O)CN1CC[NH2+]CC1=O ZINC000572361688 387345634 /nfs/dbraw/zinc/34/56/34/387345634.db2.gz YHWULLTWCAZNBP-UHFFFAOYSA-N 1 2 249.261 -0.468 20 0 BBADLO CC[C@](C)(CO)C(=O)N1CC[NH+](CCO)CC1 ZINC000572375640 387353791 /nfs/dbraw/zinc/35/37/91/387353791.db2.gz RMANMRITBBAAOR-GFCCVEGCSA-N 1 2 244.335 -0.469 20 0 BBADLO CC[C@@](C)(CO)C(=O)N1CC[NH+](CCO)CC1 ZINC000572375641 387354116 /nfs/dbraw/zinc/35/41/16/387354116.db2.gz RMANMRITBBAAOR-LBPRGKRZSA-N 1 2 244.335 -0.469 20 0 BBADLO NC(=O)CC1(NC(=O)Cn2cc[nH+]c2)CCC1 ZINC000572431483 359497333 /nfs/dbraw/zinc/49/73/33/359497333.db2.gz PTCVMUKZGAZHNA-UHFFFAOYSA-N 1 2 236.275 -0.203 20 0 BBADLO CN(Cc1c[nH]c[nH+]1)S(=O)(=O)c1c[nH]cn1 ZINC000572542493 388803197 /nfs/dbraw/zinc/80/31/97/388803197.db2.gz CEXPWKCYFAJZQI-UHFFFAOYSA-N 1 2 241.276 -0.047 20 0 BBADLO CN(Cc1c[nH+]c[nH]1)S(=O)(=O)c1c[nH]cn1 ZINC000572542493 388803194 /nfs/dbraw/zinc/80/31/94/388803194.db2.gz CEXPWKCYFAJZQI-UHFFFAOYSA-N 1 2 241.276 -0.047 20 0 BBADLO NC(=O)c1c[nH+]ccc1NCCc1nc[nH]n1 ZINC000572571044 388961334 /nfs/dbraw/zinc/96/13/34/388961334.db2.gz NFIGXUGWPNECOL-UHFFFAOYSA-N 1 2 232.247 -0.625 20 0 BBADLO CN1CN(C(=O)C[NH+]2CC(C)(C)C2)CC1=O ZINC000572614695 388360443 /nfs/dbraw/zinc/36/04/43/388360443.db2.gz FVKQUDGWWXVFAP-UHFFFAOYSA-N 1 2 225.292 -0.414 20 0 BBADLO [NH3+][C@H]1C[C@H](NS(=O)(=O)NCC(F)(F)F)C1 ZINC000572642086 326402261 /nfs/dbraw/zinc/40/22/61/326402261.db2.gz MYOJOFHJOLWIPG-URHBZAFASA-N 1 2 247.242 -0.538 20 0 BBADLO CC(=O)NCCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000572671938 412165048 /nfs/dbraw/zinc/16/50/48/412165048.db2.gz ZYDZRVFIQMXKFH-UHFFFAOYSA-N 1 2 238.295 -0.206 20 0 BBADLO CC(=O)NCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000572671938 412165046 /nfs/dbraw/zinc/16/50/46/412165046.db2.gz ZYDZRVFIQMXKFH-UHFFFAOYSA-N 1 2 238.295 -0.206 20 0 BBADLO CCNC(=O)C[N@@H+](C)CCNC(C)=O ZINC000572707350 388369034 /nfs/dbraw/zinc/36/90/34/388369034.db2.gz LFONCGMPIGYGSF-UHFFFAOYSA-N 1 2 201.270 -0.810 20 0 BBADLO CCNC(=O)C[N@H+](C)CCNC(C)=O ZINC000572707350 388369033 /nfs/dbraw/zinc/36/90/33/388369033.db2.gz LFONCGMPIGYGSF-UHFFFAOYSA-N 1 2 201.270 -0.810 20 0 BBADLO CN1CN(C(=O)Cn2cc[nH+]c2)CC1=O ZINC000572778062 388376077 /nfs/dbraw/zinc/37/60/77/388376077.db2.gz DTBGADUJGKGLNT-UHFFFAOYSA-N 1 2 208.221 -0.859 20 0 BBADLO COC(=O)C[N@H+]1CCC[C@@]12CCNC2=O ZINC000572778515 323068441 /nfs/dbraw/zinc/06/84/41/323068441.db2.gz 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BBADLO CC[C@H](C)NC(=O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000573115770 388420745 /nfs/dbraw/zinc/42/07/45/388420745.db2.gz NHFJGLXZUHDIMZ-QMMMGPOBSA-N 1 2 227.308 -0.292 20 0 BBADLO CC(C)NC(=O)CCNC(=O)Cn1cc[nH+]c1 ZINC000573176118 388428080 /nfs/dbraw/zinc/42/80/80/388428080.db2.gz WDAYDUNWOUOJDW-UHFFFAOYSA-N 1 2 238.291 -0.086 20 0 BBADLO NC(=O)[C@@H]1COCC[N@H+]1C[C@@H]1CCCC[C@@H]1O ZINC000573188450 388429858 /nfs/dbraw/zinc/42/98/58/388429858.db2.gz KYSUFLSLUBVBAN-DCAQKATOSA-N 1 2 242.319 -0.276 20 0 BBADLO NC(=O)[C@@H]1COCC[N@@H+]1C[C@@H]1CCCC[C@@H]1O ZINC000573188450 388429856 /nfs/dbraw/zinc/42/98/56/388429856.db2.gz KYSUFLSLUBVBAN-DCAQKATOSA-N 1 2 242.319 -0.276 20 0 BBADLO NC(=O)[C@@H]1COCC[N@H+]1C[C@@H]1CCCC[C@H]1O ZINC000573188451 388429173 /nfs/dbraw/zinc/42/91/73/388429173.db2.gz KYSUFLSLUBVBAN-GARJFASQSA-N 1 2 242.319 -0.276 20 0 BBADLO NC(=O)[C@@H]1COCC[N@@H+]1C[C@@H]1CCCC[C@H]1O ZINC000573188451 388429172 /nfs/dbraw/zinc/42/91/72/388429172.db2.gz KYSUFLSLUBVBAN-GARJFASQSA-N 1 2 242.319 -0.276 20 0 BBADLO NC(=O)[C@@H]1COCC[N@H+]1C[C@H]1CCCC[C@H]1O ZINC000573188452 388429668 /nfs/dbraw/zinc/42/96/68/388429668.db2.gz KYSUFLSLUBVBAN-OUAUKWLOSA-N 1 2 242.319 -0.276 20 0 BBADLO NC(=O)[C@@H]1COCC[N@@H+]1C[C@H]1CCCC[C@H]1O ZINC000573188452 388429667 /nfs/dbraw/zinc/42/96/67/388429667.db2.gz KYSUFLSLUBVBAN-OUAUKWLOSA-N 1 2 242.319 -0.276 20 0 BBADLO NC(=O)[C@@H]1COCC[N@H+]1C[C@H]1CCCC[C@@H]1O ZINC000573188453 388429954 /nfs/dbraw/zinc/42/99/54/388429954.db2.gz KYSUFLSLUBVBAN-VWYCJHECSA-N 1 2 242.319 -0.276 20 0 BBADLO NC(=O)[C@@H]1COCC[N@@H+]1C[C@H]1CCCC[C@@H]1O ZINC000573188453 388429953 /nfs/dbraw/zinc/42/99/53/388429953.db2.gz KYSUFLSLUBVBAN-VWYCJHECSA-N 1 2 242.319 -0.276 20 0 BBADLO O=C(Cn1cc[nH+]c1)N1C[C@@H](O)C2(CC2)C1 ZINC000573297461 388440384 /nfs/dbraw/zinc/44/03/84/388440384.db2.gz BFVASKFVRSKGPR-SECBINFHSA-N 1 2 221.260 -0.134 20 0 BBADLO O=C(Cn1cc[nH+]c1)N1C[C@H](O)C2(CC2)C1 ZINC000573297462 388440424 /nfs/dbraw/zinc/44/04/24/388440424.db2.gz 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365698801 /nfs/dbraw/zinc/69/88/01/365698801.db2.gz GKZXGTQRZYDSRV-UHFFFAOYSA-N 1 2 239.231 -0.228 20 0 BBADLO Cn1nncc1C[NH+]1CC(C)(C(N)=O)C1 ZINC000576939880 365727119 /nfs/dbraw/zinc/72/71/19/365727119.db2.gz OQIRTCUKDUGWOS-UHFFFAOYSA-N 1 2 209.253 -0.878 20 0 BBADLO Cc1c[nH+]c(C)nc1NCc1nnn(C)n1 ZINC000577004527 411739044 /nfs/dbraw/zinc/73/90/44/411739044.db2.gz IZBVJCSMEMDUDG-UHFFFAOYSA-N 1 2 219.252 0.229 20 0 BBADLO CC[C@@H](NC(=O)Cn1cc[nH+]c1)C(=O)NC ZINC000577070988 365803821 /nfs/dbraw/zinc/80/38/21/365803821.db2.gz IPJKBBKSWKELDM-MRVPVSSYSA-N 1 2 224.264 -0.476 20 0 BBADLO CC[C@H](NC(=O)Cn1cc[nH+]c1)C(=O)NC ZINC000577070999 365803146 /nfs/dbraw/zinc/80/31/46/365803146.db2.gz IPJKBBKSWKELDM-QMMMGPOBSA-N 1 2 224.264 -0.476 20 0 BBADLO CC(C)c1noc(C[NH2+]C(CO)CO)n1 ZINC000577121262 365825776 /nfs/dbraw/zinc/82/57/76/365825776.db2.gz CCMZBUGOVLOAFN-UHFFFAOYSA-N 1 2 215.253 -0.364 20 0 BBADLO OC[C@H]1CC[N@@H+](Cc2ccon2)C[C@H]1O ZINC000577148217 365836595 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/nfs/dbraw/zinc/07/63/99/366076399.db2.gz AWJWEGASGBDGIF-DTWKUNHWSA-N 1 2 223.276 -0.058 20 0 BBADLO C[C@@H](CO)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000577834896 366076618 /nfs/dbraw/zinc/07/66/18/366076618.db2.gz AWJWEGASGBDGIF-IUCAKERBSA-N 1 2 223.276 -0.058 20 0 BBADLO C[C@H](CO)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000577834897 366076833 /nfs/dbraw/zinc/07/68/33/366076833.db2.gz AWJWEGASGBDGIF-RKDXNWHRSA-N 1 2 223.276 -0.058 20 0 BBADLO CC[C@H](C(=O)OC)[NH+]1CC(C)(C(N)=O)C1 ZINC000577846052 366082381 /nfs/dbraw/zinc/08/23/81/366082381.db2.gz VNUDEUAIJGPDMS-SSDOTTSWSA-N 1 2 214.265 -0.255 20 0 BBADLO CC[C@@H](C(=O)OC)[NH+]1CC(C)(C(N)=O)C1 ZINC000577846053 366081714 /nfs/dbraw/zinc/08/17/14/366081714.db2.gz VNUDEUAIJGPDMS-ZETCQYMHSA-N 1 2 214.265 -0.255 20 0 BBADLO CCn1ncnc1C[NH2+][C@@H]1COC[C@H]1OC ZINC000577846509 366082063 /nfs/dbraw/zinc/08/20/63/366082063.db2.gz GZJLUKAVRFTMFZ-RKDXNWHRSA-N 1 2 226.280 -0.199 20 0 BBADLO C[C@H](CC(=O)N[C@@H]1CNC(=O)C1)n1cc[nH+]c1 ZINC000577855827 366085946 /nfs/dbraw/zinc/08/59/46/366085946.db2.gz BIZLCGFCYXRHHP-BDAKNGLRSA-N 1 2 236.275 -0.161 20 0 BBADLO C[C@@H](CC(=O)N[C@H]1CNC(=O)C1)n1cc[nH+]c1 ZINC000577855828 366085889 /nfs/dbraw/zinc/08/58/89/366085889.db2.gz BIZLCGFCYXRHHP-DTWKUNHWSA-N 1 2 236.275 -0.161 20 0 BBADLO C[C@@H](CC(=O)N[C@@H]1CNC(=O)C1)n1cc[nH+]c1 ZINC000577855829 366086014 /nfs/dbraw/zinc/08/60/14/366086014.db2.gz BIZLCGFCYXRHHP-IUCAKERBSA-N 1 2 236.275 -0.161 20 0 BBADLO C[C@H](CC(=O)N[C@H]1CNC(=O)C1)n1cc[nH+]c1 ZINC000577855830 366085846 /nfs/dbraw/zinc/08/58/46/366085846.db2.gz BIZLCGFCYXRHHP-RKDXNWHRSA-N 1 2 236.275 -0.161 20 0 BBADLO Cc1cccnc1NC(=O)CN1CC[NH2+]CC1=O ZINC000577862271 366090160 /nfs/dbraw/zinc/09/01/60/366090160.db2.gz IEPSHCOMXNYVQM-UHFFFAOYSA-N 1 2 248.286 -0.240 20 0 BBADLO CCOC(=O)C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000577914387 366101057 /nfs/dbraw/zinc/10/10/57/366101057.db2.gz RMMNVHJXBWHQST-BDAKNGLRSA-N 1 2 217.265 -0.775 20 0 BBADLO CCOC(=O)C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000577914387 366101052 /nfs/dbraw/zinc/10/10/52/366101052.db2.gz RMMNVHJXBWHQST-BDAKNGLRSA-N 1 2 217.265 -0.775 20 0 BBADLO CCOC(=O)C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000577914388 366101245 /nfs/dbraw/zinc/10/12/45/366101245.db2.gz RMMNVHJXBWHQST-DTWKUNHWSA-N 1 2 217.265 -0.775 20 0 BBADLO CCOC(=O)C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000577914388 366101239 /nfs/dbraw/zinc/10/12/39/366101239.db2.gz RMMNVHJXBWHQST-DTWKUNHWSA-N 1 2 217.265 -0.775 20 0 BBADLO CCOC(=O)C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000577914389 366101029 /nfs/dbraw/zinc/10/10/29/366101029.db2.gz RMMNVHJXBWHQST-IUCAKERBSA-N 1 2 217.265 -0.775 20 0 BBADLO CCOC(=O)C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000577914389 366101020 /nfs/dbraw/zinc/10/10/20/366101020.db2.gz RMMNVHJXBWHQST-IUCAKERBSA-N 1 2 217.265 -0.775 20 0 BBADLO CCOC(=O)C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000577914390 366102010 /nfs/dbraw/zinc/10/20/10/366102010.db2.gz RMMNVHJXBWHQST-RKDXNWHRSA-N 1 2 217.265 -0.775 20 0 BBADLO CCOC(=O)C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000577914390 366102007 /nfs/dbraw/zinc/10/20/07/366102007.db2.gz RMMNVHJXBWHQST-RKDXNWHRSA-N 1 2 217.265 -0.775 20 0 BBADLO O=C(C[NH2+]C1CC1)NCCCc1n[nH]c(=O)[nH]1 ZINC000578010498 366177881 /nfs/dbraw/zinc/17/78/81/366177881.db2.gz NQTHKFRQOVRFIR-UHFFFAOYSA-N 1 2 239.279 -0.689 20 0 BBADLO COC[C@H](CO)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000578018331 366182769 /nfs/dbraw/zinc/18/27/69/366182769.db2.gz JJVKDMRVYSWIPB-UWVGGRQHSA-N 1 2 241.291 -0.042 20 0 BBADLO COC[C@H](CO)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000578018332 366182196 /nfs/dbraw/zinc/18/21/96/366182196.db2.gz JJVKDMRVYSWIPB-ZJUUUORDSA-N 1 2 241.291 -0.042 20 0 BBADLO CCc1nnc(C[N@H+]2CCn3nncc3C2)[nH]1 ZINC000578024069 366188950 /nfs/dbraw/zinc/18/89/50/366188950.db2.gz MGKKKDCQUAWETN-UHFFFAOYSA-N 1 2 233.279 -0.026 20 0 BBADLO CCc1nnc(C[N@@H+]2CCn3nncc3C2)[nH]1 ZINC000578024069 366188943 /nfs/dbraw/zinc/18/89/43/366188943.db2.gz MGKKKDCQUAWETN-UHFFFAOYSA-N 1 2 233.279 -0.026 20 0 BBADLO O=C(N[C@@H]1CNC(=O)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000578073677 344701891 /nfs/dbraw/zinc/70/18/91/344701891.db2.gz XANPTIKESQHXQZ-BDAKNGLRSA-N 1 2 248.286 -0.550 20 0 BBADLO O=C(N[C@H]1CNC(=O)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000578073678 344701550 /nfs/dbraw/zinc/70/15/50/344701550.db2.gz XANPTIKESQHXQZ-DTWKUNHWSA-N 1 2 248.286 -0.550 20 0 BBADLO O=C(N[C@@H]1CNC(=O)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000578073679 344701709 /nfs/dbraw/zinc/70/17/09/344701709.db2.gz XANPTIKESQHXQZ-IUCAKERBSA-N 1 2 248.286 -0.550 20 0 BBADLO O=C(N[C@H]1CNC(=O)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000578073680 344701858 /nfs/dbraw/zinc/70/18/58/344701858.db2.gz XANPTIKESQHXQZ-RKDXNWHRSA-N 1 2 248.286 -0.550 20 0 BBADLO CC1(C)C[NH+](CC(=O)NCCc2nc[nH]n2)C1 ZINC000578081511 366230100 /nfs/dbraw/zinc/23/01/00/366230100.db2.gz XHWQFYFDPNCUTI-UHFFFAOYSA-N 1 2 237.307 -0.195 20 0 BBADLO CC1(C)C[NH+](CC(=O)NCCc2nnc[nH]2)C1 ZINC000578081511 366230094 /nfs/dbraw/zinc/23/00/94/366230094.db2.gz XHWQFYFDPNCUTI-UHFFFAOYSA-N 1 2 237.307 -0.195 20 0 BBADLO Cn1ncc2c1nc[nH+]c2N1CC(C)(C(N)=O)C1 ZINC000578129077 366288659 /nfs/dbraw/zinc/28/86/59/366288659.db2.gz OUBWDLNTHPKFFK-UHFFFAOYSA-N 1 2 246.274 -0.325 20 0 BBADLO COc1cncc(NC(=O)Cc2c[nH+]cn2C)n1 ZINC000578138969 411770890 /nfs/dbraw/zinc/77/08/90/411770890.db2.gz KTDGALKVPDDDKA-UHFFFAOYSA-N 1 2 247.258 0.400 20 0 BBADLO Cn1ncc2c1nc(N)[nH+]c2NC[C@@H](O)C1CC1 ZINC000578143225 411958822 /nfs/dbraw/zinc/95/88/22/411958822.db2.gz GJNGVFJCPLYNCZ-MRVPVSSYSA-N 1 2 248.290 0.128 20 0 BBADLO Cn1ncc2c1nc(N)[nH+]c2NC[C@H](O)C1CC1 ZINC000578143226 411957114 /nfs/dbraw/zinc/95/71/14/411957114.db2.gz GJNGVFJCPLYNCZ-QMMMGPOBSA-N 1 2 248.290 0.128 20 0 BBADLO COC(=O)[C@H](C)[NH+]1CC(C)(C(N)=O)C1 ZINC000578189850 366373564 /nfs/dbraw/zinc/37/35/64/366373564.db2.gz FJOWHANSXYJBEC-LURJTMIESA-N 1 2 200.238 -0.645 20 0 BBADLO COC(=O)[C@@H](C)[NH+]1CC(C)(C(N)=O)C1 ZINC000578189851 366374491 /nfs/dbraw/zinc/37/44/91/366374491.db2.gz FJOWHANSXYJBEC-ZCFIWIBFSA-N 1 2 200.238 -0.645 20 0 BBADLO COc1nccc(C[NH2+]C2CN(C(C)=O)C2)n1 ZINC000578205391 366389119 /nfs/dbraw/zinc/38/91/19/366389119.db2.gz PBDMQASGKGGABB-UHFFFAOYSA-N 1 2 236.275 -0.195 20 0 BBADLO Cn1ncc2c1nc(N)[nH+]c2NCCCO ZINC000578246951 411958656 /nfs/dbraw/zinc/95/86/56/411958656.db2.gz HCSMKTXZZHXMPU-UHFFFAOYSA-N 1 2 222.252 -0.260 20 0 BBADLO Cc1cc(NC(=O)Cn2cc[nH+]c2)nn1C ZINC000578270616 412359988 /nfs/dbraw/zinc/35/99/88/412359988.db2.gz SZVYPOCVFCIANM-UHFFFAOYSA-N 1 2 219.248 0.564 20 0 BBADLO Cn1ccc(S(=O)(=O)N2CC[NH+](C)CC2)n1 ZINC000578318464 366505731 /nfs/dbraw/zinc/50/57/31/366505731.db2.gz DYMVITKILHVEHD-UHFFFAOYSA-N 1 2 244.320 -0.644 20 0 BBADLO COC(=O)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000578335589 366525553 /nfs/dbraw/zinc/52/55/53/366525553.db2.gz LMSPOJKLFCLSAR-SSDOTTSWSA-N 1 2 225.248 -0.123 20 0 BBADLO COC(=O)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000578335589 366525547 /nfs/dbraw/zinc/52/55/47/366525547.db2.gz LMSPOJKLFCLSAR-SSDOTTSWSA-N 1 2 225.248 -0.123 20 0 BBADLO COC(=O)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000578335590 366525442 /nfs/dbraw/zinc/52/54/42/366525442.db2.gz LMSPOJKLFCLSAR-ZETCQYMHSA-N 1 2 225.248 -0.123 20 0 BBADLO COC(=O)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000578335590 366525435 /nfs/dbraw/zinc/52/54/35/366525435.db2.gz LMSPOJKLFCLSAR-ZETCQYMHSA-N 1 2 225.248 -0.123 20 0 BBADLO Cc1[nH]c(CN[C@@H]2COC[C@H]2O)[nH+]c1C ZINC000578338759 366528107 /nfs/dbraw/zinc/52/81/07/366528107.db2.gz WXGJYCMUALPEDS-RKDXNWHRSA-N 1 2 211.265 -0.124 20 0 BBADLO COCCn1ccc(NC(=O)Cn2cc[nH+]c2)n1 ZINC000578409691 411622539 /nfs/dbraw/zinc/62/25/39/411622539.db2.gz RXDXCARVVRFZSL-UHFFFAOYSA-N 1 2 249.274 0.365 20 0 BBADLO Cn1cc(C[N@H+]2CCC[C@]23CCNC3=O)nn1 ZINC000578520119 366586410 /nfs/dbraw/zinc/58/64/10/366586410.db2.gz QHVSXRHVGSMNHW-LLVKDONJSA-N 1 2 235.291 -0.330 20 0 BBADLO Cn1cc(C[N@@H+]2CCC[C@]23CCNC3=O)nn1 ZINC000578520119 366586406 /nfs/dbraw/zinc/58/64/06/366586406.db2.gz QHVSXRHVGSMNHW-LLVKDONJSA-N 1 2 235.291 -0.330 20 0 BBADLO Cn1cc(C[N@H+]2CCC[C@@]23CCNC3=O)nn1 ZINC000578520120 366586049 /nfs/dbraw/zinc/58/60/49/366586049.db2.gz QHVSXRHVGSMNHW-NSHDSACASA-N 1 2 235.291 -0.330 20 0 BBADLO Cn1cc(C[N@@H+]2CCC[C@@]23CCNC3=O)nn1 ZINC000578520120 366586045 /nfs/dbraw/zinc/58/60/45/366586045.db2.gz QHVSXRHVGSMNHW-NSHDSACASA-N 1 2 235.291 -0.330 20 0 BBADLO CN(C(=O)C[N@@H+](C)[C@@H]1COC[C@H]1O)C1CC1 ZINC000578533682 366593022 /nfs/dbraw/zinc/59/30/22/366593022.db2.gz ROSVAHRBLIBMPI-NXEZZACHSA-N 1 2 228.292 -0.701 20 0 BBADLO CN(C(=O)C[N@H+](C)[C@@H]1COC[C@H]1O)C1CC1 ZINC000578533682 366593015 /nfs/dbraw/zinc/59/30/15/366593015.db2.gz ROSVAHRBLIBMPI-NXEZZACHSA-N 1 2 228.292 -0.701 20 0 BBADLO O=c1[nH]nc(CN2CCN(c3[nH]cc[nH+]3)CC2)[nH]1 ZINC000578545252 366595984 /nfs/dbraw/zinc/59/59/84/366595984.db2.gz KETSOIATUUYNGD-UHFFFAOYSA-N 1 2 249.278 -0.444 20 0 BBADLO CN1CC[N@@H+](C[C@@H]2COCCO2)CC1=O ZINC000578632513 366614270 /nfs/dbraw/zinc/61/42/70/366614270.db2.gz ZYOXHRHYBUTUHL-SECBINFHSA-N 1 2 214.265 -0.824 20 0 BBADLO CN1CC[N@H+](C[C@@H]2COCCO2)CC1=O ZINC000578632513 366614265 /nfs/dbraw/zinc/61/42/65/366614265.db2.gz ZYOXHRHYBUTUHL-SECBINFHSA-N 1 2 214.265 -0.824 20 0 BBADLO CN1CC[N@@H+](C[C@H]2COCCO2)CC1=O ZINC000578632514 366614112 /nfs/dbraw/zinc/61/41/12/366614112.db2.gz ZYOXHRHYBUTUHL-VIFPVBQESA-N 1 2 214.265 -0.824 20 0 BBADLO CN1CC[N@H+](C[C@H]2COCCO2)CC1=O ZINC000578632514 366614110 /nfs/dbraw/zinc/61/41/10/366614110.db2.gz ZYOXHRHYBUTUHL-VIFPVBQESA-N 1 2 214.265 -0.824 20 0 BBADLO COC[C@H](C)OC[C@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000578640392 366616660 /nfs/dbraw/zinc/61/66/60/366616660.db2.gz UNNMOAAHIKQKNH-GXSJLCMTSA-N 1 2 243.307 -0.088 20 0 BBADLO COC[C@@H](C)OC[C@@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000578640394 366616835 /nfs/dbraw/zinc/61/68/35/366616835.db2.gz UNNMOAAHIKQKNH-KOLCDFICSA-N 1 2 243.307 -0.088 20 0 BBADLO COC[C@@H](C)OC[C@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000578640395 366616668 /nfs/dbraw/zinc/61/66/68/366616668.db2.gz UNNMOAAHIKQKNH-MWLCHTKSSA-N 1 2 243.307 -0.088 20 0 BBADLO COC[C@H](C)OC[C@@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000578640396 366616791 /nfs/dbraw/zinc/61/67/91/366616791.db2.gz UNNMOAAHIKQKNH-ONGXEEELSA-N 1 2 243.307 -0.088 20 0 BBADLO CCCNC(=O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000578646597 366618952 /nfs/dbraw/zinc/61/89/52/366618952.db2.gz BXDOHNUWKKXEIH-UHFFFAOYSA-N 1 2 213.281 -0.680 20 0 BBADLO C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC(=O)C2)C1 ZINC000578653645 366620689 /nfs/dbraw/zinc/62/06/89/366620689.db2.gz GXERPOWTGHDLKV-GXSJLCMTSA-N 1 2 240.303 -0.198 20 0 BBADLO C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC(=O)C2)C1 ZINC000578653645 366620683 /nfs/dbraw/zinc/62/06/83/366620683.db2.gz GXERPOWTGHDLKV-GXSJLCMTSA-N 1 2 240.303 -0.198 20 0 BBADLO C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC(=O)C2)C1 ZINC000578653648 366617603 /nfs/dbraw/zinc/61/76/03/366617603.db2.gz GXERPOWTGHDLKV-ONGXEEELSA-N 1 2 240.303 -0.198 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC(=O)C2)C1 ZINC000578653648 366617595 /nfs/dbraw/zinc/61/75/95/366617595.db2.gz GXERPOWTGHDLKV-ONGXEEELSA-N 1 2 240.303 -0.198 20 0 BBADLO Cn1nnc(CNC(=O)C[NH+]2CC(C)(C)C2)n1 ZINC000578665458 366623086 /nfs/dbraw/zinc/62/30/86/366623086.db2.gz GIACUAQDOOVKAZ-UHFFFAOYSA-N 1 2 238.295 -0.832 20 0 BBADLO CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CCCC1 ZINC000578669287 366625974 /nfs/dbraw/zinc/62/59/74/366625974.db2.gz GYCYGVHDHNOWQO-UHFFFAOYSA-N 1 2 236.275 -0.010 20 0 BBADLO CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCCC1 ZINC000578669287 366625969 /nfs/dbraw/zinc/62/59/69/366625969.db2.gz GYCYGVHDHNOWQO-UHFFFAOYSA-N 1 2 236.275 -0.010 20 0 BBADLO Cc1[nH]c(C(=O)N[C@H]2CC(=O)N(C)C2=O)c[nH+]1 ZINC000578670404 366625121 /nfs/dbraw/zinc/62/51/21/366625121.db2.gz WRNUVEXKBDCGFG-LURJTMIESA-N 1 2 236.231 -0.795 20 0 BBADLO Cc1[nH]c(C(=O)N[C@@H]2CC(=O)N(C)C2=O)c[nH+]1 ZINC000578670405 366625275 /nfs/dbraw/zinc/62/52/75/366625275.db2.gz WRNUVEXKBDCGFG-ZCFIWIBFSA-N 1 2 236.231 -0.795 20 0 BBADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1ncccn1 ZINC000578745912 366631886 /nfs/dbraw/zinc/63/18/86/366631886.db2.gz NUSBFBIGODLOAP-RKDXNWHRSA-N 1 2 209.249 -0.020 20 0 BBADLO COC(=O)[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000578813683 366651683 /nfs/dbraw/zinc/65/16/83/366651683.db2.gz MWVSSVHAXSJPTO-JTQLQIEISA-N 1 2 237.259 -0.049 20 0 BBADLO COC(=O)[C@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000578813684 366651026 /nfs/dbraw/zinc/65/10/26/366651026.db2.gz MWVSSVHAXSJPTO-SNVBAGLBSA-N 1 2 237.259 -0.049 20 0 BBADLO CC[C@@H](O)CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000578842254 366655942 /nfs/dbraw/zinc/65/59/42/366655942.db2.gz KKQGKQLWXSCWPT-GHMZBOCLSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@@H](O)CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000578842254 366655937 /nfs/dbraw/zinc/65/59/37/366655937.db2.gz KKQGKQLWXSCWPT-GHMZBOCLSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@H](O)CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000578842255 366655539 /nfs/dbraw/zinc/65/55/39/366655539.db2.gz KKQGKQLWXSCWPT-MNOVXSKESA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@H](O)CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000578842255 366655536 /nfs/dbraw/zinc/65/55/36/366655536.db2.gz KKQGKQLWXSCWPT-MNOVXSKESA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@H](O)CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000578842256 366655208 /nfs/dbraw/zinc/65/52/08/366655208.db2.gz KKQGKQLWXSCWPT-QWRGUYRKSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@H](O)CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000578842256 366655203 /nfs/dbraw/zinc/65/52/03/366655203.db2.gz KKQGKQLWXSCWPT-QWRGUYRKSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@@H](O)CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000578842257 366656649 /nfs/dbraw/zinc/65/66/49/366656649.db2.gz KKQGKQLWXSCWPT-WDEREUQCSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@@H](O)CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000578842257 366656647 /nfs/dbraw/zinc/65/66/47/366656647.db2.gz KKQGKQLWXSCWPT-WDEREUQCSA-N 1 2 244.335 -0.016 20 0 BBADLO C[C@@H](C(=O)N(C)C)S(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000578855608 366658290 /nfs/dbraw/zinc/65/82/90/366658290.db2.gz MIWAEELMPDUHPT-LURJTMIESA-N 1 2 246.292 -0.372 20 0 BBADLO C[C@H](C(=O)N(C)C)S(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000578855611 366658313 /nfs/dbraw/zinc/65/83/13/366658313.db2.gz MIWAEELMPDUHPT-ZCFIWIBFSA-N 1 2 246.292 -0.372 20 0 BBADLO C[C@@H](O)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000578881428 366665802 /nfs/dbraw/zinc/66/58/02/366665802.db2.gz SMONWBMRWQUCGV-MRVPVSSYSA-N 1 2 200.282 -0.175 20 0 BBADLO CN(Cc1c[nH]c[nH+]1)S(=O)(=O)C1COC1 ZINC000578884803 366667574 /nfs/dbraw/zinc/66/75/74/366667574.db2.gz SPKZRACRIQDBFV-UHFFFAOYSA-N 1 2 231.277 -0.430 20 0 BBADLO CN(Cc1c[nH+]c[nH]1)S(=O)(=O)C1COC1 ZINC000578884803 366667566 /nfs/dbraw/zinc/66/75/66/366667566.db2.gz SPKZRACRIQDBFV-UHFFFAOYSA-N 1 2 231.277 -0.430 20 0 BBADLO CNC(=O)C[N@@H+](C)Cc1ncccc1O ZINC000578903709 366672857 /nfs/dbraw/zinc/67/28/57/366672857.db2.gz UMWOPGDPUOLGBP-UHFFFAOYSA-N 1 2 209.249 -0.035 20 0 BBADLO CNC(=O)C[N@H+](C)Cc1ncccc1O ZINC000578903709 366672853 /nfs/dbraw/zinc/67/28/53/366672853.db2.gz UMWOPGDPUOLGBP-UHFFFAOYSA-N 1 2 209.249 -0.035 20 0 BBADLO CCn1cc[nH+]c1CNC(=O)[C@H]1COCCO1 ZINC000578906306 366672138 /nfs/dbraw/zinc/67/21/38/366672138.db2.gz LTQVADRXVGTOIA-SECBINFHSA-N 1 2 239.275 -0.065 20 0 BBADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1COCCO1 ZINC000578906308 366672067 /nfs/dbraw/zinc/67/20/67/366672067.db2.gz LTQVADRXVGTOIA-VIFPVBQESA-N 1 2 239.275 -0.065 20 0 BBADLO Cc1nc(N)c(CNC(=O)C(C)(C)CO)c[nH+]1 ZINC000578907228 411984624 /nfs/dbraw/zinc/98/46/24/411984624.db2.gz WUAUYCFPVPMLSJ-UHFFFAOYSA-N 1 2 238.291 0.002 20 0 BBADLO C[N@@H+](Cc1cncnc1)[C@@H]1COC[C@H]1O ZINC000578919316 366675979 /nfs/dbraw/zinc/67/59/79/366675979.db2.gz HJNMIHBIVHOCCC-NXEZZACHSA-N 1 2 209.249 -0.332 20 0 BBADLO C[N@H+](Cc1cncnc1)[C@@H]1COC[C@H]1O ZINC000578919316 366675970 /nfs/dbraw/zinc/67/59/70/366675970.db2.gz HJNMIHBIVHOCCC-NXEZZACHSA-N 1 2 209.249 -0.332 20 0 BBADLO Cn1c[nH+]cc1CNS(=O)(=O)NC1CC1 ZINC000578939350 366676791 /nfs/dbraw/zinc/67/67/91/366676791.db2.gz VWAIRFFFMMTYAK-UHFFFAOYSA-N 1 2 230.293 -0.494 20 0 BBADLO Cc1cc(NC(=O)CNC(N)=O)cc[nH+]1 ZINC000578973855 366682368 /nfs/dbraw/zinc/68/23/68/366682368.db2.gz VELYPDJJGOWQTD-UHFFFAOYSA-N 1 2 208.221 -0.581 20 0 BBADLO NC(=O)NC(=O)CC[N@H+]1Cc2cccnc2C1 ZINC000578981374 366684209 /nfs/dbraw/zinc/68/42/09/366684209.db2.gz ARHXMAQLPPJCBT-UHFFFAOYSA-N 1 2 234.259 -0.018 20 0 BBADLO NC(=O)NC(=O)CC[N@@H+]1Cc2cccnc2C1 ZINC000578981374 366684205 /nfs/dbraw/zinc/68/42/05/366684205.db2.gz ARHXMAQLPPJCBT-UHFFFAOYSA-N 1 2 234.259 -0.018 20 0 BBADLO C[C@@H]1C(=O)NCCN1C(=O)Cc1c[nH+]cn1C ZINC000578986157 366687288 /nfs/dbraw/zinc/68/72/88/366687288.db2.gz LLBYKTVLLKOJQX-MRVPVSSYSA-N 1 2 236.275 -0.691 20 0 BBADLO C[C@H]1C(=O)NCCN1C(=O)Cc1c[nH+]cn1C ZINC000578986158 366687712 /nfs/dbraw/zinc/68/77/12/366687712.db2.gz LLBYKTVLLKOJQX-QMMMGPOBSA-N 1 2 236.275 -0.691 20 0 BBADLO CCn1ncnc1CNc1[nH+]cnc(N)c1OC ZINC000579005659 411823959 /nfs/dbraw/zinc/82/39/59/411823959.db2.gz YAJIKUFVFRQHKM-UHFFFAOYSA-N 1 2 249.278 0.291 20 0 BBADLO CCn1ncnc1CNc1nc[nH+]c(N)c1OC ZINC000579005659 411823955 /nfs/dbraw/zinc/82/39/55/411823955.db2.gz YAJIKUFVFRQHKM-UHFFFAOYSA-N 1 2 249.278 0.291 20 0 BBADLO CNC(=O)CCN(C)C(=O)Cn1cc[nH+]c1 ZINC000579053991 366701888 /nfs/dbraw/zinc/70/18/88/366701888.db2.gz YIMCSGHJDGPMSP-UHFFFAOYSA-N 1 2 224.264 -0.522 20 0 BBADLO C[C@H]1C[C@H](Nc2nc3c(cnn3C)c(N)[nH+]2)CO1 ZINC000579106630 412267874 /nfs/dbraw/zinc/26/78/74/412267874.db2.gz UIVPYHSFNLVBGY-BQBZGAKWSA-N 1 2 248.290 0.535 20 0 BBADLO C[C@H]1C[C@@H](Nc2nc3c(cnn3C)c(N)[nH+]2)CO1 ZINC000579106635 412268648 /nfs/dbraw/zinc/26/86/48/412268648.db2.gz UIVPYHSFNLVBGY-NKWVEPMBSA-N 1 2 248.290 0.535 20 0 BBADLO C[C@@H]1C[C@@H](Nc2nc3c(cnn3C)c(N)[nH+]2)CO1 ZINC000579106637 412150903 /nfs/dbraw/zinc/15/09/03/412150903.db2.gz UIVPYHSFNLVBGY-RNFRBKRXSA-N 1 2 248.290 0.535 20 0 BBADLO C[C@@H]1C[C@H](Nc2nc3c(cnn3C)c(N)[nH+]2)CO1 ZINC000579106639 412159816 /nfs/dbraw/zinc/15/98/16/412159816.db2.gz UIVPYHSFNLVBGY-RQJHMYQMSA-N 1 2 248.290 0.535 20 0 BBADLO NC(=O)NC(=O)C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000579227051 366738231 /nfs/dbraw/zinc/73/82/31/366738231.db2.gz JJGIVYGUAWKITJ-SECBINFHSA-N 1 2 241.291 -0.318 20 0 BBADLO NC(=O)NC(=O)C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000579227051 366738228 /nfs/dbraw/zinc/73/82/28/366738228.db2.gz JJGIVYGUAWKITJ-SECBINFHSA-N 1 2 241.291 -0.318 20 0 BBADLO NC(=O)NC(=O)C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000579227052 366737909 /nfs/dbraw/zinc/73/79/09/366737909.db2.gz JJGIVYGUAWKITJ-VIFPVBQESA-N 1 2 241.291 -0.318 20 0 BBADLO NC(=O)NC(=O)C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000579227052 366737904 /nfs/dbraw/zinc/73/79/04/366737904.db2.gz JJGIVYGUAWKITJ-VIFPVBQESA-N 1 2 241.291 -0.318 20 0 BBADLO C[C@@H](CC(=O)N(C)C[C@H](O)CO)n1cc[nH+]c1 ZINC000579239436 366743191 /nfs/dbraw/zinc/74/31/91/366743191.db2.gz WKJWHNWZGYUYFC-UWVGGRQHSA-N 1 2 241.291 -0.354 20 0 BBADLO C[C@H](CC(=O)N(C)C[C@H](O)CO)n1cc[nH+]c1 ZINC000579239437 366743521 /nfs/dbraw/zinc/74/35/21/366743521.db2.gz WKJWHNWZGYUYFC-ZJUUUORDSA-N 1 2 241.291 -0.354 20 0 BBADLO CC1(C)C[NH+](CC(=O)N[C@@H]2CC[C@H]2O)C1 ZINC000579243747 366744734 /nfs/dbraw/zinc/74/47/34/366744734.db2.gz MMWODDVOSYRYSY-RKDXNWHRSA-N 1 2 212.293 -0.032 20 0 BBADLO NC(=O)[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000579365337 366771132 /nfs/dbraw/zinc/77/11/32/366771132.db2.gz XKAJYOWLHBHVHR-MRVPVSSYSA-N 1 2 222.248 -0.641 20 0 BBADLO COC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000579421261 366778569 /nfs/dbraw/zinc/77/85/69/366778569.db2.gz RLKHEKMFQSMPNX-JTQLQIEISA-N 1 2 239.275 -0.243 20 0 BBADLO COC[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000579421262 366778585 /nfs/dbraw/zinc/77/85/85/366778585.db2.gz RLKHEKMFQSMPNX-SNVBAGLBSA-N 1 2 239.275 -0.243 20 0 BBADLO O=C(CN1CC[NH2+]CC1=O)NC1(C2CC2)CC1 ZINC000579475420 366823521 /nfs/dbraw/zinc/82/35/21/366823521.db2.gz RRWYNHLYJFQBSE-UHFFFAOYSA-N 1 2 237.303 -0.523 20 0 BBADLO NC(=O)[C@@]1([NH2+]Cc2ccncc2F)CCOC1 ZINC000579489347 366829144 /nfs/dbraw/zinc/82/91/44/366829144.db2.gz QDMCFGRBPAAGIZ-LLVKDONJSA-N 1 2 239.250 -0.045 20 0 BBADLO NC(=O)[C@]1([NH2+]Cc2ccncc2F)CCOC1 ZINC000579489348 366829367 /nfs/dbraw/zinc/82/93/67/366829367.db2.gz QDMCFGRBPAAGIZ-NSHDSACASA-N 1 2 239.250 -0.045 20 0 BBADLO Cc1c[nH+]c(C)nc1N1CCN(CC(N)=O)CC1 ZINC000579535467 388549669 /nfs/dbraw/zinc/54/96/69/388549669.db2.gz OWFOIDJIBHVHEK-UHFFFAOYSA-N 1 2 249.318 -0.299 20 0 BBADLO Cn1ncc2c1nc(N)[nH+]c2N[C@H]1C[C@@H](O)C1 ZINC000579613365 411960516 /nfs/dbraw/zinc/96/05/16/411960516.db2.gz NBAKVIAEZBSYBN-IZLXSQMJSA-N 1 2 234.263 -0.119 20 0 BBADLO CCC[C@@H](O)[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000579720605 366991761 /nfs/dbraw/zinc/99/17/61/366991761.db2.gz QHXADIKLCFEMCK-NXEZZACHSA-N 1 2 241.291 -0.479 20 0 BBADLO CCC[C@H](O)[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000579720610 366992437 /nfs/dbraw/zinc/99/24/37/366992437.db2.gz QHXADIKLCFEMCK-UWVGGRQHSA-N 1 2 241.291 -0.479 20 0 BBADLO CCC[C@@H](O)[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000579720611 366991695 /nfs/dbraw/zinc/99/16/95/366991695.db2.gz QHXADIKLCFEMCK-VHSXEESVSA-N 1 2 241.291 -0.479 20 0 BBADLO CCC[C@H](O)[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000579720612 366992170 /nfs/dbraw/zinc/99/21/70/366992170.db2.gz QHXADIKLCFEMCK-ZJUUUORDSA-N 1 2 241.291 -0.479 20 0 BBADLO COC(=O)[C@@H](CF)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000579729870 366997120 /nfs/dbraw/zinc/99/71/20/366997120.db2.gz KLJHYNNAGAKQQA-MRVPVSSYSA-N 1 2 246.282 -0.045 20 0 BBADLO COC(=O)[C@H](CF)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000579729908 366996674 /nfs/dbraw/zinc/99/66/74/366996674.db2.gz KLJHYNNAGAKQQA-QMMMGPOBSA-N 1 2 246.282 -0.045 20 0 BBADLO CC[C@@H]1C[N@H+]([C@@H]2CC(=O)NC2=O)CCO1 ZINC000579849354 367041975 /nfs/dbraw/zinc/04/19/75/367041975.db2.gz TZFIPVJNIMUPLH-HTQZYQBOSA-N 1 2 212.249 -0.488 20 0 BBADLO CC[C@@H]1C[N@@H+]([C@@H]2CC(=O)NC2=O)CCO1 ZINC000579849354 367041969 /nfs/dbraw/zinc/04/19/69/367041969.db2.gz TZFIPVJNIMUPLH-HTQZYQBOSA-N 1 2 212.249 -0.488 20 0 BBADLO CC[C@H]1C[N@H+]([C@@H]2CC(=O)NC2=O)CCO1 ZINC000579849355 367042411 /nfs/dbraw/zinc/04/24/11/367042411.db2.gz TZFIPVJNIMUPLH-JGVFFNPUSA-N 1 2 212.249 -0.488 20 0 BBADLO CC[C@H]1C[N@@H+]([C@@H]2CC(=O)NC2=O)CCO1 ZINC000579849355 367042406 /nfs/dbraw/zinc/04/24/06/367042406.db2.gz TZFIPVJNIMUPLH-JGVFFNPUSA-N 1 2 212.249 -0.488 20 0 BBADLO CC[C@@H]1C[N@H+]([C@H]2CC(=O)NC2=O)CCO1 ZINC000579849356 367042130 /nfs/dbraw/zinc/04/21/30/367042130.db2.gz TZFIPVJNIMUPLH-SFYZADRCSA-N 1 2 212.249 -0.488 20 0 BBADLO CC[C@@H]1C[N@@H+]([C@H]2CC(=O)NC2=O)CCO1 ZINC000579849356 367042126 /nfs/dbraw/zinc/04/21/26/367042126.db2.gz TZFIPVJNIMUPLH-SFYZADRCSA-N 1 2 212.249 -0.488 20 0 BBADLO CC[C@H]1C[N@H+]([C@H]2CC(=O)NC2=O)CCO1 ZINC000579849357 367042345 /nfs/dbraw/zinc/04/23/45/367042345.db2.gz TZFIPVJNIMUPLH-YUMQZZPRSA-N 1 2 212.249 -0.488 20 0 BBADLO CC[C@H]1C[N@@H+]([C@H]2CC(=O)NC2=O)CCO1 ZINC000579849357 367042338 /nfs/dbraw/zinc/04/23/38/367042338.db2.gz TZFIPVJNIMUPLH-YUMQZZPRSA-N 1 2 212.249 -0.488 20 0 BBADLO Cc1cnc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)nc1 ZINC000579885327 367061633 /nfs/dbraw/zinc/06/16/33/367061633.db2.gz PSVWWJSOAJGZRO-GHMZBOCLSA-N 1 2 237.303 -0.040 20 0 BBADLO Cc1cnc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)nc1 ZINC000579885327 367061629 /nfs/dbraw/zinc/06/16/29/367061629.db2.gz PSVWWJSOAJGZRO-GHMZBOCLSA-N 1 2 237.303 -0.040 20 0 BBADLO Cc1cnc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)nc1 ZINC000579885328 367061473 /nfs/dbraw/zinc/06/14/73/367061473.db2.gz PSVWWJSOAJGZRO-MNOVXSKESA-N 1 2 237.303 -0.040 20 0 BBADLO Cc1cnc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)nc1 ZINC000579885328 367061470 /nfs/dbraw/zinc/06/14/70/367061470.db2.gz PSVWWJSOAJGZRO-MNOVXSKESA-N 1 2 237.303 -0.040 20 0 BBADLO Cc1cnc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)nc1 ZINC000579885329 367061808 /nfs/dbraw/zinc/06/18/08/367061808.db2.gz PSVWWJSOAJGZRO-QWRGUYRKSA-N 1 2 237.303 -0.040 20 0 BBADLO Cc1cnc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)nc1 ZINC000579885329 367061805 /nfs/dbraw/zinc/06/18/05/367061805.db2.gz PSVWWJSOAJGZRO-QWRGUYRKSA-N 1 2 237.303 -0.040 20 0 BBADLO Cc1cnc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)nc1 ZINC000579885330 367061652 /nfs/dbraw/zinc/06/16/52/367061652.db2.gz PSVWWJSOAJGZRO-WDEREUQCSA-N 1 2 237.303 -0.040 20 0 BBADLO Cc1cnc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)nc1 ZINC000579885330 367061649 /nfs/dbraw/zinc/06/16/49/367061649.db2.gz PSVWWJSOAJGZRO-WDEREUQCSA-N 1 2 237.303 -0.040 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000580033624 367146460 /nfs/dbraw/zinc/14/64/60/367146460.db2.gz TWNSXYCQDCTTCH-HTQZYQBOSA-N 1 2 225.296 -0.026 20 0 BBADLO C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000580033624 367146455 /nfs/dbraw/zinc/14/64/55/367146455.db2.gz TWNSXYCQDCTTCH-HTQZYQBOSA-N 1 2 225.296 -0.026 20 0 BBADLO C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000580033625 367146030 /nfs/dbraw/zinc/14/60/30/367146030.db2.gz TWNSXYCQDCTTCH-JGVFFNPUSA-N 1 2 225.296 -0.026 20 0 BBADLO C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000580033625 367146025 /nfs/dbraw/zinc/14/60/25/367146025.db2.gz TWNSXYCQDCTTCH-JGVFFNPUSA-N 1 2 225.296 -0.026 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000580033626 367146988 /nfs/dbraw/zinc/14/69/88/367146988.db2.gz TWNSXYCQDCTTCH-SFYZADRCSA-N 1 2 225.296 -0.026 20 0 BBADLO C[C@H](c1nnnn1C)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000580033626 367146983 /nfs/dbraw/zinc/14/69/83/367146983.db2.gz TWNSXYCQDCTTCH-SFYZADRCSA-N 1 2 225.296 -0.026 20 0 BBADLO C[C@@H](c1nnnn1C)[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000580033627 367146356 /nfs/dbraw/zinc/14/63/56/367146356.db2.gz TWNSXYCQDCTTCH-YUMQZZPRSA-N 1 2 225.296 -0.026 20 0 BBADLO C[C@@H](c1nnnn1C)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000580033627 367146351 /nfs/dbraw/zinc/14/63/51/367146351.db2.gz TWNSXYCQDCTTCH-YUMQZZPRSA-N 1 2 225.296 -0.026 20 0 BBADLO NC(=O)[C@@]1([NH2+]Cc2cncc(F)c2)CCOC1 ZINC000580090934 346519337 /nfs/dbraw/zinc/51/93/37/346519337.db2.gz KLVWCKCRLHRRTL-LLVKDONJSA-N 1 2 239.250 -0.045 20 0 BBADLO NC(=O)[C@]1([NH2+]Cc2cncc(F)c2)CCOC1 ZINC000580090935 346519214 /nfs/dbraw/zinc/51/92/14/346519214.db2.gz KLVWCKCRLHRRTL-NSHDSACASA-N 1 2 239.250 -0.045 20 0 BBADLO CC(C)[C@@H](NC(=O)[C@@H](C)[NH+]1CC(C)C1)C(N)=O ZINC000580092002 346522106 /nfs/dbraw/zinc/52/21/06/346522106.db2.gz SRZZVXBYMMQIQR-NXEZZACHSA-N 1 2 241.335 -0.047 20 0 BBADLO CC(C)[C@@H](NC(=O)[C@H](C)[NH+]1CC(C)C1)C(N)=O ZINC000580092003 346521821 /nfs/dbraw/zinc/52/18/21/346521821.db2.gz SRZZVXBYMMQIQR-VHSXEESVSA-N 1 2 241.335 -0.047 20 0 BBADLO CCn1cc[nH+]c1CNC(=O)c1ncn(C)n1 ZINC000580328474 347163220 /nfs/dbraw/zinc/16/32/20/347163220.db2.gz VNRQYZJTICZCLE-UHFFFAOYSA-N 1 2 234.263 -0.039 20 0 BBADLO CN1CC[C@@H](NC(=O)C[NH+]2CC(C)(C)C2)C1=O ZINC000580343039 353763309 /nfs/dbraw/zinc/76/33/09/353763309.db2.gz RDPYNLUMUKPQBP-SECBINFHSA-N 1 2 239.319 -0.325 20 0 BBADLO CN1CC[C@H](NC(=O)C[NH+]2CC(C)(C)C2)C1=O ZINC000580343041 353763104 /nfs/dbraw/zinc/76/31/04/353763104.db2.gz RDPYNLUMUKPQBP-VIFPVBQESA-N 1 2 239.319 -0.325 20 0 BBADLO CC(CO)(CO)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000580343851 643620227 /nfs/dbraw/zinc/62/02/27/643620227.db2.gz AIHUDXYPODYLNQ-UHFFFAOYSA-N 1 2 244.335 -0.565 20 0 BBADLO COC(=O)C1(C[N@H+]2CCN(C)C(=O)C2)CC1 ZINC000580402506 358492407 /nfs/dbraw/zinc/49/24/07/358492407.db2.gz MUPVMRCKTWPGLS-UHFFFAOYSA-N 1 2 226.276 -0.286 20 0 BBADLO COC(=O)C1(C[N@@H+]2CCN(C)C(=O)C2)CC1 ZINC000580402506 358492406 /nfs/dbraw/zinc/49/24/06/358492406.db2.gz MUPVMRCKTWPGLS-UHFFFAOYSA-N 1 2 226.276 -0.286 20 0 BBADLO COC(=O)c1cccc(C[N@@H+](C)CC(N)=O)n1 ZINC000580506095 361337941 /nfs/dbraw/zinc/33/79/41/361337941.db2.gz XUXVQDTUUPCJJK-UHFFFAOYSA-N 1 2 237.259 -0.215 20 0 BBADLO COC(=O)c1cccc(C[N@H+](C)CC(N)=O)n1 ZINC000580506095 361337936 /nfs/dbraw/zinc/33/79/36/361337936.db2.gz XUXVQDTUUPCJJK-UHFFFAOYSA-N 1 2 237.259 -0.215 20 0 BBADLO CC1(C)C[NH+](CC(=O)NCCOCCO)C1 ZINC000580581366 365792413 /nfs/dbraw/zinc/79/24/13/365792413.db2.gz MATPSCJSTMDCQG-UHFFFAOYSA-N 1 2 230.308 -0.547 20 0 BBADLO CC(C)(CNC(=O)C[NH+]1CC(C)(C)C1)C(N)=O ZINC000580655497 365851147 /nfs/dbraw/zinc/85/11/47/365851147.db2.gz BDJUAFXPNOCUMF-UHFFFAOYSA-N 1 2 241.335 -0.044 20 0 BBADLO Cn1ccc(NC(=O)Cn2cc[nH+]c2)n1 ZINC000580673653 411842281 /nfs/dbraw/zinc/84/22/81/411842281.db2.gz IQHUQLPLYIJCJO-UHFFFAOYSA-N 1 2 205.221 0.255 20 0 BBADLO CC(CO)(CO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000580783974 367166685 /nfs/dbraw/zinc/16/66/85/367166685.db2.gz QCSSOAGZEHQDEJ-UHFFFAOYSA-N 1 2 230.308 -0.812 20 0 BBADLO Cc1nc(N)c(CNC(=O)Cn2cccn2)c[nH+]1 ZINC000580800228 411985687 /nfs/dbraw/zinc/98/56/87/411985687.db2.gz CVDREWJDPLLQLH-UHFFFAOYSA-N 1 2 246.274 -0.120 20 0 BBADLO CCCNC(=O)CCNC(=O)Cn1cc[nH+]c1 ZINC000580807765 367170460 /nfs/dbraw/zinc/17/04/60/367170460.db2.gz PKYYOYZOJKFXBG-UHFFFAOYSA-N 1 2 238.291 -0.084 20 0 BBADLO CNC(=O)CN(C)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000580812188 367174403 /nfs/dbraw/zinc/17/44/03/367174403.db2.gz LUIDTFGKECVQJS-UHFFFAOYSA-N 1 2 249.278 -0.872 20 0 BBADLO CO[C@@H]1COC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000580835705 367183024 /nfs/dbraw/zinc/18/30/24/367183024.db2.gz LWJVKORCBGOPNY-RKDXNWHRSA-N 1 2 225.248 -0.587 20 0 BBADLO Cn1c[nH+]cc1CNS(=O)(=O)N1CCC1 ZINC000580860900 367189997 /nfs/dbraw/zinc/18/99/97/367189997.db2.gz NJMIIDHRRQEAQJ-UHFFFAOYSA-N 1 2 230.293 -0.540 20 0 BBADLO Cc1nc(N)c(CNC(=O)C2(C)COC2)c[nH+]1 ZINC000580894414 411986430 /nfs/dbraw/zinc/98/64/30/411986430.db2.gz HJHBITRTJVLKRU-UHFFFAOYSA-N 1 2 236.275 0.020 20 0 BBADLO CCN1CCN(C(=O)Cn2cc[nH+]c2)CC1=O ZINC000581039373 367242609 /nfs/dbraw/zinc/24/26/09/367242609.db2.gz CFZBURQZCNKCRW-UHFFFAOYSA-N 1 2 236.275 -0.426 20 0 BBADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000581045629 367244534 /nfs/dbraw/zinc/24/45/34/367244534.db2.gz WWRFFSOFJRPDMG-SECBINFHSA-N 1 2 248.286 -0.237 20 0 BBADLO O=C(Cn1cc[nH+]c1)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000581045630 358564289 /nfs/dbraw/zinc/56/42/89/358564289.db2.gz WWRFFSOFJRPDMG-VIFPVBQESA-N 1 2 248.286 -0.237 20 0 BBADLO COc1c(N)nc[nH+]c1NC[C@H](CO)C1CC1 ZINC000581082449 411683037 /nfs/dbraw/zinc/68/30/37/411683037.db2.gz MBCLJPKIUPRXOT-MRVPVSSYSA-N 1 2 238.291 0.498 20 0 BBADLO COc1c(N)[nH+]cnc1NC[C@H](CO)C1CC1 ZINC000581082449 411683033 /nfs/dbraw/zinc/68/30/33/411683033.db2.gz MBCLJPKIUPRXOT-MRVPVSSYSA-N 1 2 238.291 0.498 20 0 BBADLO COc1c(N)nc[nH+]c1NC[C@@H](CO)C1CC1 ZINC000581082450 411682342 /nfs/dbraw/zinc/68/23/42/411682342.db2.gz MBCLJPKIUPRXOT-QMMMGPOBSA-N 1 2 238.291 0.498 20 0 BBADLO COc1c(N)[nH+]cnc1NC[C@@H](CO)C1CC1 ZINC000581082450 411682334 /nfs/dbraw/zinc/68/23/34/411682334.db2.gz MBCLJPKIUPRXOT-QMMMGPOBSA-N 1 2 238.291 0.498 20 0 BBADLO CC(C)[C@H]([NH3+])C(=O)NCCCc1n[nH]c(=O)[nH]1 ZINC000581128767 388571218 /nfs/dbraw/zinc/57/12/18/388571218.db2.gz BKUPGMDLNMDBNY-QMMMGPOBSA-N 1 2 241.295 -0.458 20 0 BBADLO O=C(NCCCO)[C@@H]1CCc2c[nH+]cn2C1 ZINC000581148523 367278778 /nfs/dbraw/zinc/27/87/78/367278778.db2.gz KAGWUMVGOQKJPA-SECBINFHSA-N 1 2 223.276 -0.056 20 0 BBADLO O=C(NCCCO)[C@H]1CCc2c[nH+]cn2C1 ZINC000581148524 367278132 /nfs/dbraw/zinc/27/81/32/367278132.db2.gz KAGWUMVGOQKJPA-VIFPVBQESA-N 1 2 223.276 -0.056 20 0 BBADLO CCNC(=O)CC(=O)Nc1ccc(N)[nH+]c1 ZINC000581191244 411861432 /nfs/dbraw/zinc/86/14/32/411861432.db2.gz RZKCAKHZFLSCLD-UHFFFAOYSA-N 1 2 222.248 0.129 20 0 BBADLO Cn1c[nH+]cc1CC(=O)N1C[C@H](O)C2(CC2)C1 ZINC000581210040 367294591 /nfs/dbraw/zinc/29/45/91/367294591.db2.gz RUCKALLSGVTBEB-JTQLQIEISA-N 1 2 235.287 -0.054 20 0 BBADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H](O)C2(CC2)C1 ZINC000581210041 367295102 /nfs/dbraw/zinc/29/51/02/367295102.db2.gz RUCKALLSGVTBEB-SNVBAGLBSA-N 1 2 235.287 -0.054 20 0 BBADLO O=C([C@H]1CCCC(=O)N1)N1CC(n2cc[nH+]c2)C1 ZINC000581229970 367300998 /nfs/dbraw/zinc/30/09/98/367300998.db2.gz JQJGIZYTMLFOKS-SNVBAGLBSA-N 1 2 248.286 -0.065 20 0 BBADLO CC1(CCNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000581249581 367307871 /nfs/dbraw/zinc/30/78/71/367307871.db2.gz KHUQNAYEHWSANE-UHFFFAOYSA-N 1 2 239.319 -0.275 20 0 BBADLO CC(C)[C@@H](O)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000581266626 367314485 /nfs/dbraw/zinc/31/44/85/367314485.db2.gz YIDYULLJUIAIJQ-GHMZBOCLSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@@H](O)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000581266626 367314478 /nfs/dbraw/zinc/31/44/78/367314478.db2.gz YIDYULLJUIAIJQ-GHMZBOCLSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@@H](O)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000581266627 367315120 /nfs/dbraw/zinc/31/51/20/367315120.db2.gz YIDYULLJUIAIJQ-WDEREUQCSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@@H](O)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000581266627 367315110 /nfs/dbraw/zinc/31/51/10/367315110.db2.gz YIDYULLJUIAIJQ-WDEREUQCSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)c1nnc(C[NH2+]C(CO)CO)[nH]1 ZINC000581319207 367345228 /nfs/dbraw/zinc/34/52/28/367345228.db2.gz UYSDFCINPJWKLK-UHFFFAOYSA-N 1 2 214.269 -0.629 20 0 BBADLO CC1(C)CC[N@@H+](CC(=O)Nc2nn[nH]n2)C1 ZINC000581320195 367347024 /nfs/dbraw/zinc/34/70/24/367347024.db2.gz VXIWFGCPIMOABM-UHFFFAOYSA-N 1 2 224.268 -0.130 20 0 BBADLO CC1(C)CC[N@H+](CC(=O)Nc2nn[nH]n2)C1 ZINC000581320195 367347021 /nfs/dbraw/zinc/34/70/21/367347021.db2.gz VXIWFGCPIMOABM-UHFFFAOYSA-N 1 2 224.268 -0.130 20 0 BBADLO CN(C)C(=O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC000581344014 367359233 /nfs/dbraw/zinc/35/92/33/367359233.db2.gz YVDZMEMDHCLSCO-UHFFFAOYSA-N 1 2 224.264 -0.570 20 0 BBADLO Nc1ccc(NC(=O)CN2CCCNC2=O)c[nH+]1 ZINC000581370152 411958304 /nfs/dbraw/zinc/95/83/04/411958304.db2.gz KZJAAMPAUHCWQX-UHFFFAOYSA-N 1 2 249.274 0.018 20 0 BBADLO CN1C[C@H]([N@@H+](C)Cc2nccc(N)n2)CCC1=O ZINC000581377698 411883591 /nfs/dbraw/zinc/88/35/91/411883591.db2.gz MLRMZYGQVCNHEU-SECBINFHSA-N 1 2 249.318 0.111 20 0 BBADLO CN1C[C@H]([N@H+](C)Cc2nccc(N)n2)CCC1=O ZINC000581377698 411883585 /nfs/dbraw/zinc/88/35/85/411883585.db2.gz MLRMZYGQVCNHEU-SECBINFHSA-N 1 2 249.318 0.111 20 0 BBADLO CN1C[C@@H]([N@@H+](C)Cc2nccc(N)n2)CCC1=O ZINC000581377699 411891060 /nfs/dbraw/zinc/89/10/60/411891060.db2.gz MLRMZYGQVCNHEU-VIFPVBQESA-N 1 2 249.318 0.111 20 0 BBADLO CN1C[C@@H]([N@H+](C)Cc2nccc(N)n2)CCC1=O ZINC000581377699 411891053 /nfs/dbraw/zinc/89/10/53/411891053.db2.gz MLRMZYGQVCNHEU-VIFPVBQESA-N 1 2 249.318 0.111 20 0 BBADLO CCC[C@H](NC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC000581387532 367420429 /nfs/dbraw/zinc/42/04/29/367420429.db2.gz ZPZQKNXQUUHIJW-VIFPVBQESA-N 1 2 238.291 -0.267 20 0 BBADLO C[N@H+]1CCO[C@@H](CSCc2nn[nH]n2)C1 ZINC000581428810 346911887 /nfs/dbraw/zinc/91/18/87/346911887.db2.gz FUVSMEUEYRUNHB-SSDOTTSWSA-N 1 2 229.309 -0.237 20 0 BBADLO C[N@@H+]1CCO[C@@H](CSCc2nn[nH]n2)C1 ZINC000581428810 346911885 /nfs/dbraw/zinc/91/18/85/346911885.db2.gz FUVSMEUEYRUNHB-SSDOTTSWSA-N 1 2 229.309 -0.237 20 0 BBADLO C[N@H+]1CCO[C@H](CSCc2nn[nH]n2)C1 ZINC000581428811 346911771 /nfs/dbraw/zinc/91/17/71/346911771.db2.gz FUVSMEUEYRUNHB-ZETCQYMHSA-N 1 2 229.309 -0.237 20 0 BBADLO C[N@@H+]1CCO[C@H](CSCc2nn[nH]n2)C1 ZINC000581428811 346911768 /nfs/dbraw/zinc/91/17/68/346911768.db2.gz FUVSMEUEYRUNHB-ZETCQYMHSA-N 1 2 229.309 -0.237 20 0 BBADLO CC(C)C(C)(C)NC(=O)CN1CC[NH2+]CC1=O ZINC000581429970 367468164 /nfs/dbraw/zinc/46/81/64/367468164.db2.gz UPUGFVCSJIJUIM-UHFFFAOYSA-N 1 2 241.335 -0.031 20 0 BBADLO Cc1c[nH+]c(C)nc1NCCCS(N)(=O)=O ZINC000581438899 411735112 /nfs/dbraw/zinc/73/51/12/411735112.db2.gz DICDGJONCAQHFJ-UHFFFAOYSA-N 1 2 244.320 0.184 20 0 BBADLO CCCN(CC(N)=O)C(=O)Cn1cc[nH+]c1 ZINC000581447446 367474809 /nfs/dbraw/zinc/47/48/09/367474809.db2.gz UBWYFQBXVLITRG-UHFFFAOYSA-N 1 2 224.264 -0.393 20 0 BBADLO CO[C@@H]1C[N@@H+](Cc2nncn2C)C[C@@H]1OC ZINC000581464264 367489900 /nfs/dbraw/zinc/48/99/00/367489900.db2.gz PTXODNHJJAANRF-DTORHVGOSA-N 1 2 226.280 -0.339 20 0 BBADLO CO[C@@H]1C[N@H+](Cc2nncn2C)C[C@@H]1OC ZINC000581464264 367489897 /nfs/dbraw/zinc/48/98/97/367489897.db2.gz PTXODNHJJAANRF-DTORHVGOSA-N 1 2 226.280 -0.339 20 0 BBADLO C[NH+](C)CC(=O)NC1(c2nnc[nH]2)CCC1 ZINC000581507552 367530488 /nfs/dbraw/zinc/53/04/88/367530488.db2.gz BLFXDBBSMQLUNX-UHFFFAOYSA-N 1 2 223.280 -0.138 20 0 BBADLO COc1nccc(C[NH+]2CC(C)(C(N)=O)C2)n1 ZINC000581605626 367628788 /nfs/dbraw/zinc/62/87/88/367628788.db2.gz PJZCSVBBDNYNHF-UHFFFAOYSA-N 1 2 236.275 -0.208 20 0 BBADLO COC(=O)CC1([NH2+]Cc2n[nH]c(=O)[nH]2)CC1 ZINC000581729890 367794500 /nfs/dbraw/zinc/79/45/00/367794500.db2.gz OCMIAHCNRFPULL-UHFFFAOYSA-N 1 2 226.236 -0.304 20 0 BBADLO Cc1c[nH+]c(C)nc1NCc1nnc(N)o1 ZINC000581737106 411933812 /nfs/dbraw/zinc/93/38/12/411933812.db2.gz XAUNWJVPOIJVKK-UHFFFAOYSA-N 1 2 220.236 0.093 20 0 BBADLO CS(=O)(=O)NCC[N@@H+](C1CC1)C1COC1 ZINC000581767425 367820720 /nfs/dbraw/zinc/82/07/20/367820720.db2.gz QMVYIURJLUXTJI-UHFFFAOYSA-N 1 2 234.321 -0.601 20 0 BBADLO CS(=O)(=O)NCC[N@H+](C1CC1)C1COC1 ZINC000581767425 367820711 /nfs/dbraw/zinc/82/07/11/367820711.db2.gz QMVYIURJLUXTJI-UHFFFAOYSA-N 1 2 234.321 -0.601 20 0 BBADLO CCCN(CC(=O)NC)C(=O)Cn1cc[nH+]c1 ZINC000581858032 367844960 /nfs/dbraw/zinc/84/49/60/367844960.db2.gz PHAMXALDWYPHSQ-UHFFFAOYSA-N 1 2 238.291 -0.132 20 0 BBADLO CC(C)(C)c1nc(Cn2nnnc2C[NH3+])n[nH]1 ZINC000581882441 367874122 /nfs/dbraw/zinc/87/41/22/367874122.db2.gz VHAGCTRLERUADW-UHFFFAOYSA-N 1 2 236.283 -0.404 20 0 BBADLO CN(C(=O)Cc1c[nH+]cn1C)C1CC(O)C1 ZINC000581962480 368025893 /nfs/dbraw/zinc/02/58/93/368025893.db2.gz NWZMVRMWEQLJFB-UHFFFAOYSA-N 1 2 223.276 -0.056 20 0 BBADLO COc1nccnc1C[NH+]1CC(C)(C(N)=O)C1 ZINC000582063489 347157367 /nfs/dbraw/zinc/15/73/67/347157367.db2.gz OOVFZEPXPAZUMC-UHFFFAOYSA-N 1 2 236.275 -0.208 20 0 BBADLO COC[C@H](CO)Nc1nc(N)c2ccccc2[nH+]1 ZINC000582154907 411866787 /nfs/dbraw/zinc/86/67/87/411866787.db2.gz VWBACDWVGJAIHZ-QMMMGPOBSA-N 1 2 248.286 0.053 20 0 BBADLO C[N@@H+]1CCN(C(=O)C[C@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000582179909 355618549 /nfs/dbraw/zinc/61/85/49/355618549.db2.gz HDPGPRHRBGJSII-GHMZBOCLSA-N 1 2 240.351 -0.770 20 0 BBADLO C[N@@H+]1CCN(C(=O)C[C@H]2CCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000582179910 355618876 /nfs/dbraw/zinc/61/88/76/355618876.db2.gz HDPGPRHRBGJSII-MNOVXSKESA-N 1 2 240.351 -0.770 20 0 BBADLO C[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)O)CCO1 ZINC000582217498 355937945 /nfs/dbraw/zinc/93/79/45/355937945.db2.gz FUNMGMQXYSFCBW-SECBINFHSA-N 1 2 230.308 -0.406 20 0 BBADLO C[C@@H]1C[N@H+](CCNC(=O)C(C)(C)O)CCO1 ZINC000582217498 355937941 /nfs/dbraw/zinc/93/79/41/355937941.db2.gz FUNMGMQXYSFCBW-SECBINFHSA-N 1 2 230.308 -0.406 20 0 BBADLO C[C@H]1C[N@@H+](CCNC(=O)C(C)(C)O)CCO1 ZINC000582217499 355938115 /nfs/dbraw/zinc/93/81/15/355938115.db2.gz FUNMGMQXYSFCBW-VIFPVBQESA-N 1 2 230.308 -0.406 20 0 BBADLO C[C@H]1C[N@H+](CCNC(=O)C(C)(C)O)CCO1 ZINC000582217499 355938113 /nfs/dbraw/zinc/93/81/13/355938113.db2.gz FUNMGMQXYSFCBW-VIFPVBQESA-N 1 2 230.308 -0.406 20 0 BBADLO CN1CCN(C(=O)Cn2cc[nH+]c2)CC1=O ZINC000582274957 356992345 /nfs/dbraw/zinc/99/23/45/356992345.db2.gz ITGRWRAJYBGQQE-UHFFFAOYSA-N 1 2 222.248 -0.816 20 0 BBADLO CC(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC000582299314 357034202 /nfs/dbraw/zinc/03/42/02/357034202.db2.gz GYEWNLKNNNGMMP-UHFFFAOYSA-N 1 2 213.281 -0.713 20 0 BBADLO CC(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC000582299314 357034199 /nfs/dbraw/zinc/03/41/99/357034199.db2.gz GYEWNLKNNNGMMP-UHFFFAOYSA-N 1 2 213.281 -0.713 20 0 BBADLO CN(CCC1CC1)C(=O)CN1CC[NH2+]CC1=O ZINC000582299961 357037080 /nfs/dbraw/zinc/03/70/80/357037080.db2.gz SFOYYLCOXPOQDR-UHFFFAOYSA-N 1 2 239.319 -0.323 20 0 BBADLO OCC(CO)[NH2+]Cc1nc(-c2ccco2)no1 ZINC000582309619 357047636 /nfs/dbraw/zinc/04/76/36/357047636.db2.gz KHCXAHXNNOGVMQ-UHFFFAOYSA-N 1 2 239.231 -0.228 20 0 BBADLO CNC(=O)[C@H](C)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000582309906 357048828 /nfs/dbraw/zinc/04/88/28/357048828.db2.gz SKSBIGGICYXKGK-QMMMGPOBSA-N 1 2 227.308 -0.421 20 0 BBADLO COC[C@@H](CNC(=O)Cn1cc[nH+]c1)OC ZINC000582379378 357120776 /nfs/dbraw/zinc/12/07/76/357120776.db2.gz KRPMPCLVGGKIGM-SECBINFHSA-N 1 2 227.264 -0.339 20 0 BBADLO COC[C@H](CNC(=O)Cn1cc[nH+]c1)OC ZINC000582379379 357121130 /nfs/dbraw/zinc/12/11/30/357121130.db2.gz KRPMPCLVGGKIGM-VIFPVBQESA-N 1 2 227.264 -0.339 20 0 BBADLO COCCOCC[N@@H+](C)Cc1cnnn1C ZINC000582387947 357122099 /nfs/dbraw/zinc/12/20/99/357122099.db2.gz SMOOKHNHXPRKDU-UHFFFAOYSA-N 1 2 228.296 -0.090 20 0 BBADLO COCCOCC[N@H+](C)Cc1cnnn1C ZINC000582387947 357122097 /nfs/dbraw/zinc/12/20/97/357122097.db2.gz SMOOKHNHXPRKDU-UHFFFAOYSA-N 1 2 228.296 -0.090 20 0 BBADLO C[C@H](CC(=O)N1CCNC(=O)C1)n1cc[nH+]c1 ZINC000582488947 357319582 /nfs/dbraw/zinc/31/95/82/357319582.db2.gz AGMDALLXCVNRPF-SECBINFHSA-N 1 2 236.275 -0.207 20 0 BBADLO C[C@@H](CC(=O)N1CCNC(=O)C1)n1cc[nH+]c1 ZINC000582488951 357319529 /nfs/dbraw/zinc/31/95/29/357319529.db2.gz AGMDALLXCVNRPF-VIFPVBQESA-N 1 2 236.275 -0.207 20 0 BBADLO CC(C)(C)c1noc(C[NH2+]C(CO)CO)n1 ZINC000582554799 357343163 /nfs/dbraw/zinc/34/31/63/357343163.db2.gz WEPLDBLVWFSUMO-UHFFFAOYSA-N 1 2 229.280 -0.190 20 0 BBADLO Cn1nc(C2CC2)nc1C[N@@H+](C)CCC(N)=O ZINC000582602943 357348195 /nfs/dbraw/zinc/34/81/95/357348195.db2.gz GEWJZPSRDZOCOH-UHFFFAOYSA-N 1 2 237.307 0.000 20 0 BBADLO Cn1nc(C2CC2)nc1C[N@H+](C)CCC(N)=O ZINC000582602943 357348190 /nfs/dbraw/zinc/34/81/90/357348190.db2.gz GEWJZPSRDZOCOH-UHFFFAOYSA-N 1 2 237.307 0.000 20 0 BBADLO COc1cc(NC(=O)Cn2cc[nH+]c2)nn1C ZINC000582699555 411700251 /nfs/dbraw/zinc/70/02/51/411700251.db2.gz NNQYOVQFDHMGDS-UHFFFAOYSA-N 1 2 235.247 0.264 20 0 BBADLO O=C(Cn1cc[nH+]c1)N1CC(NC(=O)C2CC2)C1 ZINC000582699563 357365707 /nfs/dbraw/zinc/36/57/07/357365707.db2.gz QGEBARAONFCQQJ-UHFFFAOYSA-N 1 2 248.286 -0.380 20 0 BBADLO C[C@@H](NC(=O)CC(F)(F)C[NH3+])c1nnc[nH]1 ZINC000582793237 357398811 /nfs/dbraw/zinc/39/88/11/357398811.db2.gz FJDFJYGDUFHLAZ-RXMQYKEDSA-N 1 2 233.222 -0.034 20 0 BBADLO C[C@H](NC(=O)CC(F)(F)C[NH3+])c1nnc[nH]1 ZINC000582793238 357398499 /nfs/dbraw/zinc/39/84/99/357398499.db2.gz FJDFJYGDUFHLAZ-YFKPBYRVSA-N 1 2 233.222 -0.034 20 0 BBADLO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000582824011 357407087 /nfs/dbraw/zinc/40/70/87/357407087.db2.gz NTZHDQMMTXHVKO-BDAKNGLRSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@@H](O)[C@H]1CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000582824011 357407084 /nfs/dbraw/zinc/40/70/84/357407084.db2.gz NTZHDQMMTXHVKO-BDAKNGLRSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000582824012 357407155 /nfs/dbraw/zinc/40/71/55/357407155.db2.gz NTZHDQMMTXHVKO-DTWKUNHWSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@H](O)[C@@H]1CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000582824012 357407149 /nfs/dbraw/zinc/40/71/49/357407149.db2.gz NTZHDQMMTXHVKO-DTWKUNHWSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@H](O)[C@H]1CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000582824013 357407412 /nfs/dbraw/zinc/40/74/12/357407412.db2.gz NTZHDQMMTXHVKO-IUCAKERBSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@H](O)[C@H]1CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000582824013 357407407 /nfs/dbraw/zinc/40/74/07/357407407.db2.gz NTZHDQMMTXHVKO-IUCAKERBSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000582824014 357407290 /nfs/dbraw/zinc/40/72/90/357407290.db2.gz NTZHDQMMTXHVKO-RKDXNWHRSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000582824014 357407285 /nfs/dbraw/zinc/40/72/85/357407285.db2.gz NTZHDQMMTXHVKO-RKDXNWHRSA-N 1 2 225.296 -0.197 20 0 BBADLO CCOC[C@H](O)C[NH2+][C@H](CCO)C(F)F ZINC000582845712 398051097 /nfs/dbraw/zinc/05/10/97/398051097.db2.gz HWSJGPSXAMRIMO-HTQZYQBOSA-N 1 2 227.251 -0.011 20 0 BBADLO CCOC[C@@H](O)C[NH2+][C@H](CCO)C(F)F ZINC000582845713 398051121 /nfs/dbraw/zinc/05/11/21/398051121.db2.gz HWSJGPSXAMRIMO-JGVFFNPUSA-N 1 2 227.251 -0.011 20 0 BBADLO CCOC[C@H](O)C[NH2+][C@@H](CCO)C(F)F ZINC000582845714 398051022 /nfs/dbraw/zinc/05/10/22/398051022.db2.gz HWSJGPSXAMRIMO-SFYZADRCSA-N 1 2 227.251 -0.011 20 0 BBADLO CCOC[C@@H](O)C[NH2+][C@@H](CCO)C(F)F ZINC000582845715 398051350 /nfs/dbraw/zinc/05/13/50/398051350.db2.gz HWSJGPSXAMRIMO-YUMQZZPRSA-N 1 2 227.251 -0.011 20 0 BBADLO Cc1nc(N)c(CNC(=O)[C@@H](O)C(C)C)c[nH+]1 ZINC000582847666 411986292 /nfs/dbraw/zinc/98/62/92/411986292.db2.gz ATDKCNCMLXIRBP-VIFPVBQESA-N 1 2 238.291 0.000 20 0 BBADLO CCN(C)C(=O)CNC(=O)Cn1cc[nH+]c1 ZINC000582998552 357454391 /nfs/dbraw/zinc/45/43/91/357454391.db2.gz RXEGPKRXHDAYQG-UHFFFAOYSA-N 1 2 224.264 -0.522 20 0 BBADLO Cn1nnc(CNc2cc[nH+]c(C3CC3)n2)n1 ZINC000583000202 412201153 /nfs/dbraw/zinc/20/11/53/412201153.db2.gz VJFBCIDRGLXRNK-UHFFFAOYSA-N 1 2 231.263 0.490 20 0 BBADLO Cc1nc2[nH]ccc2c(N2CC(O)(CO)C2)[nH+]1 ZINC000583153452 357496471 /nfs/dbraw/zinc/49/64/71/357496471.db2.gz MRXIWMRODYUQEI-UHFFFAOYSA-N 1 2 234.259 -0.190 20 0 BBADLO Cn1nccc1S(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000583176198 357502108 /nfs/dbraw/zinc/50/21/08/357502108.db2.gz JJIHDZUKJJWOBI-UHFFFAOYSA-N 1 2 227.249 -0.056 20 0 BBADLO CCn1cc[nH+]c1CNC(=O)CN(C)C(C)=O ZINC000583214232 357564217 /nfs/dbraw/zinc/56/42/17/357564217.db2.gz SYXHTMZTGNNIQD-UHFFFAOYSA-N 1 2 238.291 -0.003 20 0 BBADLO CC(=O)N1CC([NH2+]Cc2ccn(C)n2)C1 ZINC000583214307 357563978 /nfs/dbraw/zinc/56/39/78/357563978.db2.gz NFAPLLXZSKFZOU-UHFFFAOYSA-N 1 2 208.265 -0.260 20 0 BBADLO O=C(NC1=NCC(=O)N1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000583265570 357754828 /nfs/dbraw/zinc/75/48/28/357754828.db2.gz NTHUDABIFQOJME-SSDOTTSWSA-N 1 2 247.258 -0.953 20 0 BBADLO O=C(NC1=NCC(=O)N1)[C@H]1CCc2c[nH+]cn2C1 ZINC000583265571 357755731 /nfs/dbraw/zinc/75/57/31/357755731.db2.gz NTHUDABIFQOJME-ZETCQYMHSA-N 1 2 247.258 -0.953 20 0 BBADLO CN(C)C(=O)CCC[N@@H+](C)Cc1nnnn1C ZINC000583330455 342729253 /nfs/dbraw/zinc/72/92/53/342729253.db2.gz ZVRLRODFKXLSDM-UHFFFAOYSA-N 1 2 240.311 -0.490 20 0 BBADLO CN(C)C(=O)CCC[N@H+](C)Cc1nnnn1C ZINC000583330455 342729252 /nfs/dbraw/zinc/72/92/52/342729252.db2.gz ZVRLRODFKXLSDM-UHFFFAOYSA-N 1 2 240.311 -0.490 20 0 BBADLO C[NH+](C)C1CN(C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC000583390564 344873908 /nfs/dbraw/zinc/87/39/08/344873908.db2.gz VCYIXGHEEFQGIU-SECBINFHSA-N 1 2 246.332 -0.664 20 0 BBADLO C[NH+](C)C1CN(C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC000583390565 344873928 /nfs/dbraw/zinc/87/39/28/344873928.db2.gz VCYIXGHEEFQGIU-VIFPVBQESA-N 1 2 246.332 -0.664 20 0 BBADLO CC(=O)NCC[N@H+](C)C[C@@H](C)S(C)(=O)=O ZINC000583439086 344962849 /nfs/dbraw/zinc/96/28/49/344962849.db2.gz WPTORXQLSJXVAQ-MRVPVSSYSA-N 1 2 236.337 -0.513 20 0 BBADLO CC(=O)NCC[N@@H+](C)C[C@@H](C)S(C)(=O)=O ZINC000583439086 344962844 /nfs/dbraw/zinc/96/28/44/344962844.db2.gz WPTORXQLSJXVAQ-MRVPVSSYSA-N 1 2 236.337 -0.513 20 0 BBADLO CC(=O)NCC[N@H+](C)C[C@H](C)S(C)(=O)=O ZINC000583439087 344962715 /nfs/dbraw/zinc/96/27/15/344962715.db2.gz WPTORXQLSJXVAQ-QMMMGPOBSA-N 1 2 236.337 -0.513 20 0 BBADLO CC(=O)NCC[N@@H+](C)C[C@H](C)S(C)(=O)=O ZINC000583439087 344962713 /nfs/dbraw/zinc/96/27/13/344962713.db2.gz WPTORXQLSJXVAQ-QMMMGPOBSA-N 1 2 236.337 -0.513 20 0 BBADLO Nc1nc(C[NH2+]C(CO)CO)nc2ccccc12 ZINC000583448528 411938593 /nfs/dbraw/zinc/93/85/93/411938593.db2.gz FCDGRGDSAMQJQN-UHFFFAOYSA-N 1 2 248.286 -0.345 20 0 BBADLO CC(=O)NCC[N@H+](C)CC(=O)NCC(C)C ZINC000583497926 355331330 /nfs/dbraw/zinc/33/13/30/355331330.db2.gz PABNWNCIBJKJAY-UHFFFAOYSA-N 1 2 229.324 -0.174 20 0 BBADLO CC(=O)NCC[N@@H+](C)CC(=O)NCC(C)C ZINC000583497926 355331327 /nfs/dbraw/zinc/33/13/27/355331327.db2.gz PABNWNCIBJKJAY-UHFFFAOYSA-N 1 2 229.324 -0.174 20 0 BBADLO CC(=O)NCC[N@H+](C)CC(=O)NCC1CC1 ZINC000583497982 355331797 /nfs/dbraw/zinc/33/17/97/355331797.db2.gz RNDSRPIDIDWJDX-UHFFFAOYSA-N 1 2 227.308 -0.420 20 0 BBADLO CC(=O)NCC[N@@H+](C)CC(=O)NCC1CC1 ZINC000583497982 355331794 /nfs/dbraw/zinc/33/17/94/355331794.db2.gz RNDSRPIDIDWJDX-UHFFFAOYSA-N 1 2 227.308 -0.420 20 0 BBADLO CSC[C@@H](O)C[NH2+]CC(F)(F)CO ZINC000583564680 355647047 /nfs/dbraw/zinc/64/70/47/355647047.db2.gz AYOVDXJBIIVAKK-LURJTMIESA-N 1 2 215.265 -0.073 20 0 BBADLO CSC[C@H](O)C[NH2+]CC(F)(F)CO ZINC000583564681 355646785 /nfs/dbraw/zinc/64/67/85/355646785.db2.gz AYOVDXJBIIVAKK-ZCFIWIBFSA-N 1 2 215.265 -0.073 20 0 BBADLO [NH3+]CC(F)(F)CC(=O)Nc1nn[nH]n1 ZINC000583571793 355652084 /nfs/dbraw/zinc/65/20/84/355652084.db2.gz VCQNKOZJFFOGLG-UHFFFAOYSA-N 1 2 206.156 -0.878 20 0 BBADLO Cn1ncc2c1nc(N)[nH+]c2NCC(C)(C)O ZINC000583704072 411957684 /nfs/dbraw/zinc/95/76/84/411957684.db2.gz TYPHSGIOSLMASM-UHFFFAOYSA-N 1 2 236.279 0.128 20 0 BBADLO CC(C)[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)C(N)=O ZINC000583762145 357937660 /nfs/dbraw/zinc/93/76/60/357937660.db2.gz LTNJKCSZUYPHBI-SNVBAGLBSA-N 1 2 241.335 -0.046 20 0 BBADLO Nc1ccc(NC(=O)CN2CCOCC2)c[nH+]1 ZINC000583812662 411957147 /nfs/dbraw/zinc/95/71/47/411957147.db2.gz PYCFGBAAYQMYFW-UHFFFAOYSA-N 1 2 236.275 -0.066 20 0 BBADLO CC(C)C(=O)NCCNC(=O)Cn1cc[nH+]c1 ZINC000583846022 357976440 /nfs/dbraw/zinc/97/64/40/357976440.db2.gz OLKIPAIRFIAMJP-UHFFFAOYSA-N 1 2 238.291 -0.229 20 0 BBADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@](C)(O)CO ZINC000583881702 358116825 /nfs/dbraw/zinc/11/68/25/358116825.db2.gz JGTCNTHMJDDFOQ-GZMMTYOYSA-N 1 2 241.291 -0.552 20 0 BBADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@](C)(O)CO ZINC000583881702 358116822 /nfs/dbraw/zinc/11/68/22/358116822.db2.gz JGTCNTHMJDDFOQ-GZMMTYOYSA-N 1 2 241.291 -0.552 20 0 BBADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@](C)(O)CO ZINC000583881703 358116864 /nfs/dbraw/zinc/11/68/64/358116864.db2.gz JGTCNTHMJDDFOQ-KCJUWKMLSA-N 1 2 241.291 -0.552 20 0 BBADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@](C)(O)CO ZINC000583881703 358116861 /nfs/dbraw/zinc/11/68/61/358116861.db2.gz JGTCNTHMJDDFOQ-KCJUWKMLSA-N 1 2 241.291 -0.552 20 0 BBADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@](C)(O)CO ZINC000583881704 358116715 /nfs/dbraw/zinc/11/67/15/358116715.db2.gz JGTCNTHMJDDFOQ-KWQFWETISA-N 1 2 241.291 -0.552 20 0 BBADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@](C)(O)CO ZINC000583881704 358116712 /nfs/dbraw/zinc/11/67/12/358116712.db2.gz JGTCNTHMJDDFOQ-KWQFWETISA-N 1 2 241.291 -0.552 20 0 BBADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@](C)(O)CO ZINC000583881705 358116879 /nfs/dbraw/zinc/11/68/79/358116879.db2.gz JGTCNTHMJDDFOQ-LDYMZIIASA-N 1 2 241.291 -0.552 20 0 BBADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@](C)(O)CO ZINC000583881705 358116876 /nfs/dbraw/zinc/11/68/76/358116876.db2.gz JGTCNTHMJDDFOQ-LDYMZIIASA-N 1 2 241.291 -0.552 20 0 BBADLO Cc1[nH]c(CNCCNS(C)(=O)=O)[nH+]c1C ZINC000583945592 342730610 /nfs/dbraw/zinc/73/06/10/342730610.db2.gz AGUMUYKNDTVNTA-UHFFFAOYSA-N 1 2 246.336 -0.335 20 0 BBADLO CCC[NH2+][C@@H](C)C(=O)N=c1nc[nH]n1C ZINC000583992782 342852068 /nfs/dbraw/zinc/85/20/68/342852068.db2.gz DKRWWELTHLQEAE-ZETCQYMHSA-N 1 2 211.269 -0.436 20 0 BBADLO Cn1c[nH+]cc1CC(=O)N1CC(=O)N(C)C1 ZINC000584012857 342902155 /nfs/dbraw/zinc/90/21/55/342902155.db2.gz LKROFINBTSWXRB-UHFFFAOYSA-N 1 2 222.248 -0.779 20 0 BBADLO Cn1nnnc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000584049535 343306930 /nfs/dbraw/zinc/30/69/30/343306930.db2.gz QCRCDXYJJATKBS-SECBINFHSA-N 1 2 248.294 -0.361 20 0 BBADLO Cn1nnnc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000584049535 343306928 /nfs/dbraw/zinc/30/69/28/343306928.db2.gz QCRCDXYJJATKBS-SECBINFHSA-N 1 2 248.294 -0.361 20 0 BBADLO Cn1nnnc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000584049536 343307072 /nfs/dbraw/zinc/30/70/72/343307072.db2.gz QCRCDXYJJATKBS-VIFPVBQESA-N 1 2 248.294 -0.361 20 0 BBADLO Cn1nnnc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000584049536 343307070 /nfs/dbraw/zinc/30/70/70/343307070.db2.gz QCRCDXYJJATKBS-VIFPVBQESA-N 1 2 248.294 -0.361 20 0 BBADLO COC(=O)C[N@@H+](C)CCNC(=O)NC(C)C ZINC000584110726 343668728 /nfs/dbraw/zinc/66/87/28/343668728.db2.gz PNYGAAGVRBELSE-UHFFFAOYSA-N 1 2 231.296 -0.201 20 0 BBADLO COC(=O)C[N@H+](C)CCNC(=O)NC(C)C ZINC000584110726 343668724 /nfs/dbraw/zinc/66/87/24/343668724.db2.gz PNYGAAGVRBELSE-UHFFFAOYSA-N 1 2 231.296 -0.201 20 0 BBADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC000584111720 343696321 /nfs/dbraw/zinc/69/63/21/343696321.db2.gz QRVUDWBYJPECRK-HTQZYQBOSA-N 1 2 242.279 -0.361 20 0 BBADLO COc1ccc(C[NH+]2CC(C)(C(N)=O)C2)nn1 ZINC000584229866 343775957 /nfs/dbraw/zinc/77/59/57/343775957.db2.gz WAGPQQUISLGKCO-UHFFFAOYSA-N 1 2 236.275 -0.208 20 0 BBADLO CCOCC[C@H](O)C[NH2+][C@H](C(=O)OC)[C@H](C)O ZINC000584232408 343776512 /nfs/dbraw/zinc/77/65/12/343776512.db2.gz SATOCVKFNLOYRM-GUBZILKMSA-N 1 2 249.307 -0.714 20 0 BBADLO CCOCC[C@H](O)C[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC000584232409 343776490 /nfs/dbraw/zinc/77/64/90/343776490.db2.gz SATOCVKFNLOYRM-KXUCPTDWSA-N 1 2 249.307 -0.714 20 0 BBADLO CCOCC[C@H](O)C[NH2+][C@@H](C(=O)OC)[C@H](C)O ZINC000584232410 343776588 /nfs/dbraw/zinc/77/65/88/343776588.db2.gz SATOCVKFNLOYRM-LPEHRKFASA-N 1 2 249.307 -0.714 20 0 BBADLO CCOCC[C@H](O)C[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000584232411 343776635 /nfs/dbraw/zinc/77/66/35/343776635.db2.gz SATOCVKFNLOYRM-UTLUCORTSA-N 1 2 249.307 -0.714 20 0 BBADLO Cn1ncc2c1nc(N)[nH+]c2NCCCCO ZINC000584242542 411956804 /nfs/dbraw/zinc/95/68/04/411956804.db2.gz XUYOXCQTDBDDES-UHFFFAOYSA-N 1 2 236.279 0.130 20 0 BBADLO Cn1nnc(C[N@H+]2CCCC[C@@H]2CC(N)=O)n1 ZINC000584344505 351041391 /nfs/dbraw/zinc/04/13/91/351041391.db2.gz RMKOSXPWZMRHGL-MRVPVSSYSA-N 1 2 238.295 -0.560 20 0 BBADLO Cn1nnc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)n1 ZINC000584344505 351041387 /nfs/dbraw/zinc/04/13/87/351041387.db2.gz RMKOSXPWZMRHGL-MRVPVSSYSA-N 1 2 238.295 -0.560 20 0 BBADLO Cn1nnc(C[N@H+]2CCCC[C@H]2CC(N)=O)n1 ZINC000584344506 351041002 /nfs/dbraw/zinc/04/10/02/351041002.db2.gz RMKOSXPWZMRHGL-QMMMGPOBSA-N 1 2 238.295 -0.560 20 0 BBADLO Cn1nnc(C[N@@H+]2CCCC[C@H]2CC(N)=O)n1 ZINC000584344506 351040998 /nfs/dbraw/zinc/04/09/98/351040998.db2.gz RMKOSXPWZMRHGL-QMMMGPOBSA-N 1 2 238.295 -0.560 20 0 BBADLO CC(C)C(=O)NCC[N@@H+](C)[C@@H]1CC(=O)NC1=O ZINC000584358925 357328859 /nfs/dbraw/zinc/32/88/59/357328859.db2.gz LHVHVJZRWDGPKR-MRVPVSSYSA-N 1 2 241.291 -0.895 20 0 BBADLO CC(C)C(=O)NCC[N@H+](C)[C@@H]1CC(=O)NC1=O ZINC000584358925 357328854 /nfs/dbraw/zinc/32/88/54/357328854.db2.gz LHVHVJZRWDGPKR-MRVPVSSYSA-N 1 2 241.291 -0.895 20 0 BBADLO CC(C)C(=O)NCC[N@@H+](C)[C@H]1CC(=O)NC1=O ZINC000584358926 357329017 /nfs/dbraw/zinc/32/90/17/357329017.db2.gz LHVHVJZRWDGPKR-QMMMGPOBSA-N 1 2 241.291 -0.895 20 0 BBADLO CC(C)C(=O)NCC[N@H+](C)[C@H]1CC(=O)NC1=O ZINC000584358926 357329014 /nfs/dbraw/zinc/32/90/14/357329014.db2.gz LHVHVJZRWDGPKR-QMMMGPOBSA-N 1 2 241.291 -0.895 20 0 BBADLO Cn1c[nH+]cc1CC(=O)NCC(F)(F)CO ZINC000584369778 357448382 /nfs/dbraw/zinc/44/83/82/357448382.db2.gz PSOMXIJODFFHRU-UHFFFAOYSA-N 1 2 233.218 -0.294 20 0 BBADLO CC1(C)C[NH+](CC(=O)NCc2cncnc2N)C1 ZINC000584419829 411888724 /nfs/dbraw/zinc/88/87/24/411888724.db2.gz RNIBDLOHTDWOMK-UHFFFAOYSA-N 1 2 249.318 0.017 20 0 BBADLO O=C(CN1CC[NH2+]CC1=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000584468142 357993480 /nfs/dbraw/zinc/99/34/80/357993480.db2.gz AZUNEAOCGPAAGQ-ILWJIGKKSA-N 1 2 237.303 -0.667 20 0 BBADLO C[C@H](O)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000584504162 358007207 /nfs/dbraw/zinc/00/72/07/358007207.db2.gz XLTZAZSOTJODST-BDAKNGLRSA-N 1 2 216.281 -0.796 20 0 BBADLO C[C@H](O)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000584504162 358007204 /nfs/dbraw/zinc/00/72/04/358007204.db2.gz XLTZAZSOTJODST-BDAKNGLRSA-N 1 2 216.281 -0.796 20 0 BBADLO C[C@H](O)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000584504163 358007527 /nfs/dbraw/zinc/00/75/27/358007527.db2.gz XLTZAZSOTJODST-IUCAKERBSA-N 1 2 216.281 -0.796 20 0 BBADLO C[C@H](O)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000584504163 358007523 /nfs/dbraw/zinc/00/75/23/358007523.db2.gz XLTZAZSOTJODST-IUCAKERBSA-N 1 2 216.281 -0.796 20 0 BBADLO CCOC[C@H](O)C[NH2+]Cc1nc(N(C)C)no1 ZINC000584586787 358102424 /nfs/dbraw/zinc/10/24/24/358102424.db2.gz ZHXDSKXOWIMKPX-MRVPVSSYSA-N 1 2 244.295 -0.377 20 0 BBADLO CCOC[C@@H](O)C[NH2+]Cc1nc(N(C)C)no1 ZINC000584586788 358102503 /nfs/dbraw/zinc/10/25/03/358102503.db2.gz ZHXDSKXOWIMKPX-QMMMGPOBSA-N 1 2 244.295 -0.377 20 0 BBADLO O=C(CN1CC[NH2+]CC1=O)NCCCC1CC1 ZINC000584588925 358103424 /nfs/dbraw/zinc/10/34/24/358103424.db2.gz LYWHBCHVABMVTF-UHFFFAOYSA-N 1 2 239.319 -0.275 20 0 BBADLO Cc1c[nH+]c(C)nc1NCCC(=O)NC(N)=O ZINC000584665167 411734880 /nfs/dbraw/zinc/73/48/80/411734880.db2.gz BYMCMJONWDILFN-UHFFFAOYSA-N 1 2 237.263 0.090 20 0 BBADLO COCCS(=O)(=O)NCCc1c[nH+]cn1C ZINC000584754928 358169640 /nfs/dbraw/zinc/16/96/40/358169640.db2.gz WUZXUQFUGWXGLA-UHFFFAOYSA-N 1 2 247.320 -0.472 20 0 BBADLO Cn1nccc1CC[N@@H+](C)Cc1nnnn1C ZINC000584791965 358180362 /nfs/dbraw/zinc/18/03/62/358180362.db2.gz HTFBWPWJLUOTRY-UHFFFAOYSA-N 1 2 235.295 -0.382 20 0 BBADLO Cn1nccc1CC[N@H+](C)Cc1nnnn1C ZINC000584791965 358180359 /nfs/dbraw/zinc/18/03/59/358180359.db2.gz HTFBWPWJLUOTRY-UHFFFAOYSA-N 1 2 235.295 -0.382 20 0 BBADLO Cc1c[nH+]c(C)nc1NCCOCCO ZINC000584810464 411735378 /nfs/dbraw/zinc/73/53/78/411735378.db2.gz PXLNSPLTLJVLAQ-UHFFFAOYSA-N 1 2 211.265 0.514 20 0 BBADLO CC(=O)N1CC([NH2+]Cc2cnccn2)C1 ZINC000584849267 358208859 /nfs/dbraw/zinc/20/88/59/358208859.db2.gz FQNPQNRGKLVHIT-UHFFFAOYSA-N 1 2 206.249 -0.203 20 0 BBADLO O=C(C[N@@H+]1CCC[C@@H]1CO)Nc1ccon1 ZINC000585749461 412313909 /nfs/dbraw/zinc/31/39/09/412313909.db2.gz YNIXYVVXZBHDQW-MRVPVSSYSA-N 1 2 225.248 0.070 20 0 BBADLO O=C(C[N@H+]1CCC[C@@H]1CO)Nc1ccon1 ZINC000585749461 412313906 /nfs/dbraw/zinc/31/39/06/412313906.db2.gz YNIXYVVXZBHDQW-MRVPVSSYSA-N 1 2 225.248 0.070 20 0 BBADLO C[N@@H+](CCn1ccccc1=O)CC(N)=O ZINC000586829497 346154023 /nfs/dbraw/zinc/15/40/23/346154023.db2.gz MLSAMMQKEJSBPY-UHFFFAOYSA-N 1 2 209.249 -0.735 20 0 BBADLO C[N@H+](CCn1ccccc1=O)CC(N)=O ZINC000586829497 346154020 /nfs/dbraw/zinc/15/40/20/346154020.db2.gz MLSAMMQKEJSBPY-UHFFFAOYSA-N 1 2 209.249 -0.735 20 0 BBADLO CCNC(=O)C[N@@H+](C)CCn1ccccc1=O ZINC000586829687 346153958 /nfs/dbraw/zinc/15/39/58/346153958.db2.gz VMDRRQNLKADESB-UHFFFAOYSA-N 1 2 237.303 -0.084 20 0 BBADLO CCNC(=O)C[N@H+](C)CCn1ccccc1=O ZINC000586829687 346153957 /nfs/dbraw/zinc/15/39/57/346153957.db2.gz VMDRRQNLKADESB-UHFFFAOYSA-N 1 2 237.303 -0.084 20 0 BBADLO CNC(=O)C[N@@H+](C)CCn1ccccc1=O ZINC000586843525 346161341 /nfs/dbraw/zinc/16/13/41/346161341.db2.gz UUSGOXFJQJHYQO-UHFFFAOYSA-N 1 2 223.276 -0.474 20 0 BBADLO CNC(=O)C[N@H+](C)CCn1ccccc1=O ZINC000586843525 346161339 /nfs/dbraw/zinc/16/13/39/346161339.db2.gz UUSGOXFJQJHYQO-UHFFFAOYSA-N 1 2 223.276 -0.474 20 0 BBADLO CNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000586875066 346166187 /nfs/dbraw/zinc/16/61/87/346166187.db2.gz JIESDWMKSUJNKZ-MRVPVSSYSA-N 1 2 201.270 -0.364 20 0 BBADLO CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000586875066 346166183 /nfs/dbraw/zinc/16/61/83/346166183.db2.gz JIESDWMKSUJNKZ-MRVPVSSYSA-N 1 2 201.270 -0.364 20 0 BBADLO CNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000586875067 346166147 /nfs/dbraw/zinc/16/61/47/346166147.db2.gz JIESDWMKSUJNKZ-QMMMGPOBSA-N 1 2 201.270 -0.364 20 0 BBADLO CNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000586875067 346166146 /nfs/dbraw/zinc/16/61/46/346166146.db2.gz JIESDWMKSUJNKZ-QMMMGPOBSA-N 1 2 201.270 -0.364 20 0 BBADLO COC(=O)COCC(=O)NCCn1cc[nH+]c1 ZINC000588285224 385199596 /nfs/dbraw/zinc/19/95/96/385199596.db2.gz VXGPOXBZCNOZIR-UHFFFAOYSA-N 1 2 241.247 -0.811 20 0 BBADLO CC(=O)NC(C)(C)C(=O)NCCn1cc[nH+]c1 ZINC000588354645 343372270 /nfs/dbraw/zinc/37/22/70/343372270.db2.gz GPTUILUVFNRRCR-UHFFFAOYSA-N 1 2 238.291 -0.086 20 0 BBADLO CC(=O)NC(C)(C)C(=O)N1CC[NH+](C)CC1 ZINC000588705302 398280436 /nfs/dbraw/zinc/28/04/36/398280436.db2.gz OGLZUFGVZXJCSR-UHFFFAOYSA-N 1 2 227.308 -0.325 20 0 BBADLO CC[C@@H](C(N)=O)[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000588899155 344198010 /nfs/dbraw/zinc/19/80/10/344198010.db2.gz XXKSAJZJDHRHRI-JTQLQIEISA-N 1 2 239.319 -0.196 20 0 BBADLO CC[C@H](C(N)=O)[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000588899156 344198047 /nfs/dbraw/zinc/19/80/47/344198047.db2.gz 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/nfs/dbraw/zinc/83/57/61/345835761.db2.gz BWHCJSPYVCUQFR-LLVKDONJSA-N 1 2 239.275 -0.308 20 0 BBADLO COC(=O)[C@](C)(O)C[N@H+]1CCc2c[nH]nc2C1 ZINC000588963918 345835760 /nfs/dbraw/zinc/83/57/60/345835760.db2.gz BWHCJSPYVCUQFR-LLVKDONJSA-N 1 2 239.275 -0.308 20 0 BBADLO COC(=O)[C@](C)(O)C[N@@H+]1CCc2c[nH]nc2C1 ZINC000588963918 345835757 /nfs/dbraw/zinc/83/57/57/345835757.db2.gz BWHCJSPYVCUQFR-LLVKDONJSA-N 1 2 239.275 -0.308 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@H+]1CCc2cn[nH]c2C1 ZINC000588963925 345835903 /nfs/dbraw/zinc/83/59/03/345835903.db2.gz BWHCJSPYVCUQFR-NSHDSACASA-N 1 2 239.275 -0.308 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@@H+]1CCc2cn[nH]c2C1 ZINC000588963925 345835900 /nfs/dbraw/zinc/83/59/00/345835900.db2.gz BWHCJSPYVCUQFR-NSHDSACASA-N 1 2 239.275 -0.308 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@H+]1CCc2c[nH]nc2C1 ZINC000588963925 345835897 /nfs/dbraw/zinc/83/58/97/345835897.db2.gz BWHCJSPYVCUQFR-NSHDSACASA-N 1 2 239.275 -0.308 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@@H+]1CCc2c[nH]nc2C1 ZINC000588963925 345835896 /nfs/dbraw/zinc/83/58/96/345835896.db2.gz BWHCJSPYVCUQFR-NSHDSACASA-N 1 2 239.275 -0.308 20 0 BBADLO COCCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000589118417 346666383 /nfs/dbraw/zinc/66/63/83/346666383.db2.gz FUNLTICIZSBTHO-JTQLQIEISA-N 1 2 230.308 -0.140 20 0 BBADLO COCCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000589118417 346666382 /nfs/dbraw/zinc/66/63/82/346666382.db2.gz FUNLTICIZSBTHO-JTQLQIEISA-N 1 2 230.308 -0.140 20 0 BBADLO COCCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000589118444 346666456 /nfs/dbraw/zinc/66/64/56/346666456.db2.gz FUNLTICIZSBTHO-SNVBAGLBSA-N 1 2 230.308 -0.140 20 0 BBADLO COCCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000589118444 346666454 /nfs/dbraw/zinc/66/64/54/346666454.db2.gz FUNLTICIZSBTHO-SNVBAGLBSA-N 1 2 230.308 -0.140 20 0 BBADLO O=C(C1CC1)N1CC[NH+](CCn2cncn2)CC1 ZINC000589150333 346667107 /nfs/dbraw/zinc/66/71/07/346667107.db2.gz JIWLANPVHRQZJE-UHFFFAOYSA-N 1 2 249.318 -0.168 20 0 BBADLO Cn1ccc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000589475665 346707876 /nfs/dbraw/zinc/70/78/76/346707876.db2.gz MKFRZPJCBIBOOO-SECBINFHSA-N 1 2 238.291 -0.520 20 0 BBADLO Cn1ccc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC000589475665 346707874 /nfs/dbraw/zinc/70/78/74/346707874.db2.gz MKFRZPJCBIBOOO-SECBINFHSA-N 1 2 238.291 -0.520 20 0 BBADLO Cn1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000589475667 346707848 /nfs/dbraw/zinc/70/78/48/346707848.db2.gz MKFRZPJCBIBOOO-VIFPVBQESA-N 1 2 238.291 -0.520 20 0 BBADLO Cn1ccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)n1 ZINC000589475667 346707846 /nfs/dbraw/zinc/70/78/46/346707846.db2.gz MKFRZPJCBIBOOO-VIFPVBQESA-N 1 2 238.291 -0.520 20 0 BBADLO C[NH+](C)CC(=O)Nc1nn2cnnc2s1 ZINC000589685394 346726862 /nfs/dbraw/zinc/72/68/62/346726862.db2.gz GQDCZYQNBKKARK-UHFFFAOYSA-N 1 2 226.265 -0.314 20 0 BBADLO C[N@H+]1CCc2ncnc(N3CC(O)C3)c2C1 ZINC000590054333 346769088 /nfs/dbraw/zinc/76/90/88/346769088.db2.gz JEXLGQQWAQKDFH-UHFFFAOYSA-N 1 2 220.276 -0.355 20 0 BBADLO C[N@@H+]1CCc2ncnc(N3CC(O)C3)c2C1 ZINC000590054333 346769085 /nfs/dbraw/zinc/76/90/85/346769085.db2.gz JEXLGQQWAQKDFH-UHFFFAOYSA-N 1 2 220.276 -0.355 20 0 BBADLO COC(=O)c1ccc(C[N@@H+](C)CC(N)=O)n1C ZINC000590593238 347478272 /nfs/dbraw/zinc/47/82/72/347478272.db2.gz NMJZIUQLCFJEDD-UHFFFAOYSA-N 1 2 239.275 -0.271 20 0 BBADLO COC(=O)c1ccc(C[N@H+](C)CC(N)=O)n1C ZINC000590593238 347478270 /nfs/dbraw/zinc/47/82/70/347478270.db2.gz NMJZIUQLCFJEDD-UHFFFAOYSA-N 1 2 239.275 -0.271 20 0 BBADLO C[C@@H](C(=O)NC(N)=O)N1CCc2[nH+]c[nH]c2C1 ZINC000590599568 347479605 /nfs/dbraw/zinc/47/96/05/347479605.db2.gz IZAZZODWHCNZRA-LURJTMIESA-N 1 2 237.263 -0.649 20 0 BBADLO C[C@H](C(=O)NC(N)=O)N1CCc2[nH+]c[nH]c2C1 ZINC000590599577 347479837 /nfs/dbraw/zinc/47/98/37/347479837.db2.gz IZAZZODWHCNZRA-ZCFIWIBFSA-N 1 2 237.263 -0.649 20 0 BBADLO C[C@H](C(=O)NC(N)=O)N1CCn2c[nH+]cc2C1 ZINC000590599722 347479347 /nfs/dbraw/zinc/47/93/47/347479347.db2.gz LHKPRSSEIZQBLU-SSDOTTSWSA-N 1 2 237.263 -0.718 20 0 BBADLO C[C@@H](C(=O)NC(N)=O)N1CCn2c[nH+]cc2C1 ZINC000590599723 347480182 /nfs/dbraw/zinc/48/01/82/347480182.db2.gz LHKPRSSEIZQBLU-ZETCQYMHSA-N 1 2 237.263 -0.718 20 0 BBADLO CNC(=O)NC(=O)CN1CCn2c[nH+]cc2C1 ZINC000590599789 347480655 /nfs/dbraw/zinc/48/06/55/347480655.db2.gz PJSQXTBCADBEMS-UHFFFAOYSA-N 1 2 237.263 -0.846 20 0 BBADLO COC(=O)C[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000590600148 487774044 /nfs/dbraw/zinc/77/40/44/487774044.db2.gz LIJWVDMFAHRFPA-UHFFFAOYSA-N 1 2 239.279 -0.261 20 0 BBADLO COCC1([NH2+]CC(=O)OC)CCOCC1 ZINC000590602106 347476094 /nfs/dbraw/zinc/47/60/94/347476094.db2.gz UJAFHAQLWDQZSI-UHFFFAOYSA-N 1 2 217.265 -0.055 20 0 BBADLO CNC(=O)NC(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000590602371 347476159 /nfs/dbraw/zinc/47/61/59/347476159.db2.gz XEFFAUKBYCDUQS-UHFFFAOYSA-N 1 2 237.263 -0.777 20 0 BBADLO Cn1nnnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000590606221 347477202 /nfs/dbraw/zinc/47/72/02/347477202.db2.gz OKSVYOWQZGJKFD-UHFFFAOYSA-N 1 2 245.290 -0.068 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+](C1CC1)C1COC1 ZINC000590745484 397910538 /nfs/dbraw/zinc/91/05/38/397910538.db2.gz CZIIKWZDKMGGCD-UHFFFAOYSA-N 1 2 227.264 -0.695 20 0 BBADLO CNC(=O)NC(=O)C[N@H+](C1CC1)C1COC1 ZINC000590745484 397910535 /nfs/dbraw/zinc/91/05/35/397910535.db2.gz CZIIKWZDKMGGCD-UHFFFAOYSA-N 1 2 227.264 -0.695 20 0 BBADLO Cn1cc[nH+]c1CNC(=O)NC[C@@H](O)C1CC1 ZINC000590871551 347577413 /nfs/dbraw/zinc/57/74/13/347577413.db2.gz CXSBTNVRMMEKEL-SECBINFHSA-N 1 2 238.291 -0.010 20 0 BBADLO Cn1cc[nH+]c1CNC(=O)NC[C@H](O)C1CC1 ZINC000590871552 347577417 /nfs/dbraw/zinc/57/74/17/347577417.db2.gz CXSBTNVRMMEKEL-VIFPVBQESA-N 1 2 238.291 -0.010 20 0 BBADLO COC(=O)CNC(=O)C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000590972715 347598061 /nfs/dbraw/zinc/59/80/61/347598061.db2.gz KKJYEGZOVQAQLE-YUMQZZPRSA-N 1 2 244.316 -0.535 20 0 BBADLO COC(=O)CNC(=O)C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000590972715 347598059 /nfs/dbraw/zinc/59/80/59/347598059.db2.gz KKJYEGZOVQAQLE-YUMQZZPRSA-N 1 2 244.316 -0.535 20 0 BBADLO NC(=O)NC(=O)C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000591041639 491070720 /nfs/dbraw/zinc/07/07/20/491070720.db2.gz XUNKWUNQWHYJFL-SECBINFHSA-N 1 2 241.291 -0.318 20 0 BBADLO NC(=O)NC(=O)C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000591041639 491070718 /nfs/dbraw/zinc/07/07/18/491070718.db2.gz XUNKWUNQWHYJFL-SECBINFHSA-N 1 2 241.291 -0.318 20 0 BBADLO NC(=O)NC(=O)C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000591041640 491070702 /nfs/dbraw/zinc/07/07/02/491070702.db2.gz XUNKWUNQWHYJFL-VIFPVBQESA-N 1 2 241.291 -0.318 20 0 BBADLO NC(=O)NC(=O)C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000591041640 491070700 /nfs/dbraw/zinc/07/07/00/491070700.db2.gz XUNKWUNQWHYJFL-VIFPVBQESA-N 1 2 241.291 -0.318 20 0 BBADLO O=C(CCCn1cc[nH+]c1)N1CCNC(=O)C1 ZINC000591105093 347620323 /nfs/dbraw/zinc/62/03/23/347620323.db2.gz AUUFAQJSFDCCEI-UHFFFAOYSA-N 1 2 236.275 -0.378 20 0 BBADLO CNC(=O)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC000591107357 347616314 /nfs/dbraw/zinc/61/63/14/347616314.db2.gz BATLOTCKVDZTJW-UHFFFAOYSA-N 1 2 238.291 -0.132 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC000591376910 347651098 /nfs/dbraw/zinc/65/10/98/347651098.db2.gz ABDDFTCYXUHBLG-SECBINFHSA-N 1 2 235.287 -0.294 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC000591376910 347651095 /nfs/dbraw/zinc/65/10/95/347651095.db2.gz ABDDFTCYXUHBLG-SECBINFHSA-N 1 2 235.287 -0.294 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC000591376911 347651117 /nfs/dbraw/zinc/65/11/17/347651117.db2.gz ABDDFTCYXUHBLG-VIFPVBQESA-N 1 2 235.287 -0.294 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC000591376911 347651114 /nfs/dbraw/zinc/65/11/14/347651114.db2.gz ABDDFTCYXUHBLG-VIFPVBQESA-N 1 2 235.287 -0.294 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1CCn1ccccc1=O ZINC000591377627 347651046 /nfs/dbraw/zinc/65/10/46/347651046.db2.gz PHPXVEYLKLAQPG-JTQLQIEISA-N 1 2 235.287 -0.331 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1CCn1ccccc1=O ZINC000591377627 347651043 /nfs/dbraw/zinc/65/10/43/347651043.db2.gz PHPXVEYLKLAQPG-JTQLQIEISA-N 1 2 235.287 -0.331 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1CCn1ccccc1=O ZINC000591377628 347650950 /nfs/dbraw/zinc/65/09/50/347650950.db2.gz PHPXVEYLKLAQPG-SNVBAGLBSA-N 1 2 235.287 -0.331 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1CCn1ccccc1=O ZINC000591377628 347650947 /nfs/dbraw/zinc/65/09/47/347650947.db2.gz PHPXVEYLKLAQPG-SNVBAGLBSA-N 1 2 235.287 -0.331 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1CCCN1CCCC1=O ZINC000591377650 347651271 /nfs/dbraw/zinc/65/12/71/347651271.db2.gz YXBNDYHPBYAWOA-JTQLQIEISA-N 1 2 239.319 -0.181 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1CCCN1CCCC1=O ZINC000591377650 347651268 /nfs/dbraw/zinc/65/12/68/347651268.db2.gz YXBNDYHPBYAWOA-JTQLQIEISA-N 1 2 239.319 -0.181 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1CCCN1CCCC1=O ZINC000591377651 347650939 /nfs/dbraw/zinc/65/09/39/347650939.db2.gz YXBNDYHPBYAWOA-SNVBAGLBSA-N 1 2 239.319 -0.181 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1CCCN1CCCC1=O ZINC000591377651 347650935 /nfs/dbraw/zinc/65/09/35/347650935.db2.gz YXBNDYHPBYAWOA-SNVBAGLBSA-N 1 2 239.319 -0.181 20 0 BBADLO O=C(C[N@@H+]1CCC[C@H]1CO)Nc1ccon1 ZINC000591471575 412314658 /nfs/dbraw/zinc/31/46/58/412314658.db2.gz YNIXYVVXZBHDQW-QMMMGPOBSA-N 1 2 225.248 0.070 20 0 BBADLO O=C(C[N@H+]1CCC[C@H]1CO)Nc1ccon1 ZINC000591471575 412314656 /nfs/dbraw/zinc/31/46/56/412314656.db2.gz YNIXYVVXZBHDQW-QMMMGPOBSA-N 1 2 225.248 0.070 20 0 BBADLO Cn1nnnc1C[N@H+]1CCC[C@H](CCO)C1 ZINC000591473545 347667217 /nfs/dbraw/zinc/66/72/17/347667217.db2.gz KQSNJPOLZUKNRT-SECBINFHSA-N 1 2 225.296 -0.196 20 0 BBADLO Cn1nnnc1C[N@@H+]1CCC[C@H](CCO)C1 ZINC000591473545 347667214 /nfs/dbraw/zinc/66/72/14/347667214.db2.gz KQSNJPOLZUKNRT-SECBINFHSA-N 1 2 225.296 -0.196 20 0 BBADLO Cn1nnnc1C[N@H+]1CCC[C@@H](CCO)C1 ZINC000591473546 347667471 /nfs/dbraw/zinc/66/74/71/347667471.db2.gz KQSNJPOLZUKNRT-VIFPVBQESA-N 1 2 225.296 -0.196 20 0 BBADLO Cn1nnnc1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000591473546 347667467 /nfs/dbraw/zinc/66/74/67/347667467.db2.gz KQSNJPOLZUKNRT-VIFPVBQESA-N 1 2 225.296 -0.196 20 0 BBADLO CC(F)(F)C[NH2+]CCC(=O)NC(N)=O ZINC000591767891 487798227 /nfs/dbraw/zinc/79/82/27/487798227.db2.gz ZQEUPLLCVFFVKA-UHFFFAOYSA-N 1 2 209.196 -0.184 20 0 BBADLO COC[C@@](C)([NH2+]CC[C@@H](C)O)C(=O)OC ZINC000591845723 347706372 /nfs/dbraw/zinc/70/63/72/347706372.db2.gz SFOVBFDCGHNUEL-PSASIEDQSA-N 1 2 219.281 -0.075 20 0 BBADLO COC[C@](C)([NH2+]CC[C@@H](C)O)C(=O)OC ZINC000591845728 347706323 /nfs/dbraw/zinc/70/63/23/347706323.db2.gz SFOVBFDCGHNUEL-SCZZXKLOSA-N 1 2 219.281 -0.075 20 0 BBADLO COC[C@@](C)([NH2+]CC[C@H](C)O)C(=O)OC ZINC000591845729 347706329 /nfs/dbraw/zinc/70/63/29/347706329.db2.gz SFOVBFDCGHNUEL-WCBMZHEXSA-N 1 2 219.281 -0.075 20 0 BBADLO COC[C@](C)([NH2+]CC[C@H](C)O)C(=O)OC ZINC000591845730 347706334 /nfs/dbraw/zinc/70/63/34/347706334.db2.gz SFOVBFDCGHNUEL-WPRPVWTQSA-N 1 2 219.281 -0.075 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+]1CCc2nnc(NC)cc2C1 ZINC000591867786 411722713 /nfs/dbraw/zinc/72/27/13/411722713.db2.gz IXQSOTTXCPBUDE-JTQLQIEISA-N 1 2 249.318 0.140 20 0 BBADLO CC[C@@H](C(N)=O)[N@@H+]1CCc2nnc(NC)cc2C1 ZINC000591867786 411722708 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412306794 /nfs/dbraw/zinc/30/67/94/412306794.db2.gz IACNZBDCBPIDFC-ZETCQYMHSA-N 1 2 235.291 -0.250 20 0 BBADLO CNc1cc2c(nn1)CC[N@@H+](CC(=O)N(C)C)C2 ZINC000591868882 412306817 /nfs/dbraw/zinc/30/68/17/412306817.db2.gz ROPNUXMIZLFVKP-UHFFFAOYSA-N 1 2 249.318 -0.035 20 0 BBADLO CNc1cc2c(nn1)CC[N@H+](CC(=O)N(C)C)C2 ZINC000591868882 412306814 /nfs/dbraw/zinc/30/68/14/412306814.db2.gz ROPNUXMIZLFVKP-UHFFFAOYSA-N 1 2 249.318 -0.035 20 0 BBADLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cocn2)CC1 ZINC000591886248 347711189 /nfs/dbraw/zinc/71/11/89/347711189.db2.gz DLWLOQBFMJJCFH-SECBINFHSA-N 1 2 239.275 -0.187 20 0 BBADLO C[C@H](O)C[NH+]1CCN(C(=O)c2cocn2)CC1 ZINC000591886249 347711592 /nfs/dbraw/zinc/71/15/92/347711592.db2.gz DLWLOQBFMJJCFH-VIFPVBQESA-N 1 2 239.275 -0.187 20 0 BBADLO COC(=O)c1nccnc1NCCn1cc[nH+]c1 ZINC000591889626 487800544 /nfs/dbraw/zinc/80/05/44/487800544.db2.gz CDDXJMUOOQCPMI-UHFFFAOYSA-N 1 2 247.258 0.572 20 0 BBADLO CN(C)C(=O)CN1CCc2c([nH+]cn2C)C1 ZINC000591919735 347709846 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YETSSSMXDDVDDW-WPRPVWTQSA-N 1 2 239.275 -0.235 20 0 BBADLO CCOC(=O)[C@H](CO)[NH2+]CC(C)(C)O ZINC000592429245 397949508 /nfs/dbraw/zinc/94/95/08/397949508.db2.gz BEVFUEMZCQKKCB-ZETCQYMHSA-N 1 2 205.254 -0.729 20 0 BBADLO COC(=O)[C@@H](CO)[NH2+]CC1(O)CCC1 ZINC000592429272 397949265 /nfs/dbraw/zinc/94/92/65/397949265.db2.gz DLRQHZVZFOVETB-SSDOTTSWSA-N 1 2 203.238 -0.975 20 0 BBADLO CCOC(=O)[C@@H](CO)[NH2+]CC1(O)CCC1 ZINC000592429541 347785248 /nfs/dbraw/zinc/78/52/48/347785248.db2.gz IMFHLDIZURPKGH-MRVPVSSYSA-N 1 2 217.265 -0.585 20 0 BBADLO CCOC(=O)[C@H](CO)[NH2+]CC1(O)CCC1 ZINC000592429543 347785293 /nfs/dbraw/zinc/78/52/93/347785293.db2.gz IMFHLDIZURPKGH-QMMMGPOBSA-N 1 2 217.265 -0.585 20 0 BBADLO COC(=O)[C@@H](CO)[NH2+]CC1(O)CCCC1 ZINC000592429986 347784888 /nfs/dbraw/zinc/78/48/88/347784888.db2.gz WTDCRASYAQRSCD-MRVPVSSYSA-N 1 2 217.265 -0.585 20 0 BBADLO CCOC(=O)[C@@H](CO)[NH2+]CC1(O)CCCC1 ZINC000592430488 347785885 /nfs/dbraw/zinc/78/58/85/347785885.db2.gz 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CC(=O)NCC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000594170612 348020049 /nfs/dbraw/zinc/02/00/49/348020049.db2.gz QBEJMAXATVAOFY-UHFFFAOYSA-N 1 2 249.270 -0.193 20 0 BBADLO CCOC(=O)Cn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000594640135 348096946 /nfs/dbraw/zinc/09/69/46/348096946.db2.gz IDUFRNVDZJPLJG-SECBINFHSA-N 1 2 240.263 -0.498 20 0 BBADLO CCOC(=O)Cn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000594640137 348097078 /nfs/dbraw/zinc/09/70/78/348097078.db2.gz IDUFRNVDZJPLJG-VIFPVBQESA-N 1 2 240.263 -0.498 20 0 BBADLO CCOC(=O)Cn1cc(C[N@@H+](C)CCO)nn1 ZINC000594641328 385610217 /nfs/dbraw/zinc/61/02/17/385610217.db2.gz XOVHYUJJNJQIIU-UHFFFAOYSA-N 1 2 242.279 -0.735 20 0 BBADLO CCOC(=O)Cn1cc(C[N@H+](C)CCO)nn1 ZINC000594641328 385610212 /nfs/dbraw/zinc/61/02/12/385610212.db2.gz XOVHYUJJNJQIIU-UHFFFAOYSA-N 1 2 242.279 -0.735 20 0 BBADLO COCC[N@@H+](C)Cc1cn(CC(=O)OC)nn1 ZINC000594645252 348086524 /nfs/dbraw/zinc/08/65/24/348086524.db2.gz YRQJWXDWXDTMEF-UHFFFAOYSA-N 1 2 242.279 -0.471 20 0 BBADLO COCC[N@H+](C)Cc1cn(CC(=O)OC)nn1 ZINC000594645252 348086521 /nfs/dbraw/zinc/08/65/21/348086521.db2.gz YRQJWXDWXDTMEF-UHFFFAOYSA-N 1 2 242.279 -0.471 20 0 BBADLO COC(=O)[C@@H]([NH3+])Cc1cn(-c2cccnc2)nn1 ZINC000594646090 348087048 /nfs/dbraw/zinc/08/70/48/348087048.db2.gz SKXUCCWUEWWLOP-JTQLQIEISA-N 1 2 247.258 -0.295 20 0 BBADLO COC(=O)[C@H]([NH3+])Cc1cn(-c2cccnc2)nn1 ZINC000594646091 348087202 /nfs/dbraw/zinc/08/72/02/348087202.db2.gz SKXUCCWUEWWLOP-SNVBAGLBSA-N 1 2 247.258 -0.295 20 0 BBADLO COC(=O)[C@H]([NH3+])Cc1cn(CC(C)C)nn1 ZINC000594649279 583147356 /nfs/dbraw/zinc/14/73/56/583147356.db2.gz JCLRLSZHGJGSAX-SECBINFHSA-N 1 2 226.280 -0.023 20 0 BBADLO COC(=O)[C@@H]([NH3+])Cc1cn(CC(C)C)nn1 ZINC000594649280 583147507 /nfs/dbraw/zinc/14/75/07/583147507.db2.gz JCLRLSZHGJGSAX-VIFPVBQESA-N 1 2 226.280 -0.023 20 0 BBADLO COC(=O)[C@H]([NH3+])Cc1cn(CC2CC2)nn1 ZINC000594656869 348092643 /nfs/dbraw/zinc/09/26/43/348092643.db2.gz HZQDXVHPYRGIMC-SECBINFHSA-N 1 2 224.264 -0.269 20 0 BBADLO COC(=O)[C@@H]([NH3+])Cc1cn(CC2CC2)nn1 ZINC000594656870 348092453 /nfs/dbraw/zinc/09/24/53/348092453.db2.gz HZQDXVHPYRGIMC-VIFPVBQESA-N 1 2 224.264 -0.269 20 0 BBADLO COC(=O)CSCC(=O)N1CC[NH+](C)CC1 ZINC000594664096 348094582 /nfs/dbraw/zinc/09/45/82/348094582.db2.gz ZGTGFMNPTRGDAD-UHFFFAOYSA-N 1 2 246.332 -0.333 20 0 BBADLO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC000594939578 348143311 /nfs/dbraw/zinc/14/33/11/348143311.db2.gz TYTZZZSKZDPDAG-BIIVOSGPSA-N 1 2 239.279 -0.503 20 0 BBADLO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC000594939862 348143085 /nfs/dbraw/zinc/14/30/85/348143085.db2.gz TYTZZZSKZDPDAG-BWZBUEFSSA-N 1 2 239.279 -0.503 20 0 BBADLO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC000594939863 348143368 /nfs/dbraw/zinc/14/33/68/348143368.db2.gz TYTZZZSKZDPDAG-GJMOJQLCSA-N 1 2 239.279 -0.503 20 0 BBADLO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC000594939864 348143286 /nfs/dbraw/zinc/14/32/86/348143286.db2.gz TYTZZZSKZDPDAG-XLPZGREQSA-N 1 2 239.279 -0.503 20 0 BBADLO COC[C@@H](C[N@@H+](C)CC(=O)OC)OC ZINC000595285911 348212513 /nfs/dbraw/zinc/21/25/13/348212513.db2.gz BMRHAOSWBQTTAY-MRVPVSSYSA-N 1 2 205.254 -0.247 20 0 BBADLO COC[C@@H](C[N@H+](C)CC(=O)OC)OC ZINC000595285911 348212512 /nfs/dbraw/zinc/21/25/12/348212512.db2.gz BMRHAOSWBQTTAY-MRVPVSSYSA-N 1 2 205.254 -0.247 20 0 BBADLO COC[C@H](C[N@@H+](C)CC(=O)OC)OC ZINC000595285912 348212302 /nfs/dbraw/zinc/21/23/02/348212302.db2.gz BMRHAOSWBQTTAY-QMMMGPOBSA-N 1 2 205.254 -0.247 20 0 BBADLO COC[C@H](C[N@H+](C)CC(=O)OC)OC ZINC000595285912 348212300 /nfs/dbraw/zinc/21/23/00/348212300.db2.gz BMRHAOSWBQTTAY-QMMMGPOBSA-N 1 2 205.254 -0.247 20 0 BBADLO COC(=O)CC[C@H](C(=O)OC)[N@@H+](C)CCO ZINC000595292523 348214097 /nfs/dbraw/zinc/21/40/97/348214097.db2.gz ZMQRESBMSZNJRT-MRVPVSSYSA-N 1 2 233.264 -0.595 20 0 BBADLO COC(=O)CC[C@H](C(=O)OC)[N@H+](C)CCO ZINC000595292523 348214095 /nfs/dbraw/zinc/21/40/95/348214095.db2.gz ZMQRESBMSZNJRT-MRVPVSSYSA-N 1 2 233.264 -0.595 20 0 BBADLO COC(=O)CC[C@@H](C(=O)OC)[N@@H+](C)CCO ZINC000595292532 348214505 /nfs/dbraw/zinc/21/45/05/348214505.db2.gz ZMQRESBMSZNJRT-QMMMGPOBSA-N 1 2 233.264 -0.595 20 0 BBADLO COC(=O)CC[C@@H](C(=O)OC)[N@H+](C)CCO ZINC000595292532 348214503 /nfs/dbraw/zinc/21/45/03/348214503.db2.gz ZMQRESBMSZNJRT-QMMMGPOBSA-N 1 2 233.264 -0.595 20 0 BBADLO CCN1OC[C@H]([N@H+]2CC[C@@H](C(=O)OC)C2)C1=O ZINC000595299354 348217572 /nfs/dbraw/zinc/21/75/72/348217572.db2.gz YHGPKRDVDHOUAZ-BDAKNGLRSA-N 1 2 242.275 -0.356 20 0 BBADLO CCN1OC[C@H]([N@@H+]2CC[C@@H](C(=O)OC)C2)C1=O ZINC000595299354 348217570 /nfs/dbraw/zinc/21/75/70/348217570.db2.gz YHGPKRDVDHOUAZ-BDAKNGLRSA-N 1 2 242.275 -0.356 20 0 BBADLO CCN1OC[C@@H]([N@H+]2CC[C@H](C(=O)OC)C2)C1=O ZINC000595299355 348217838 /nfs/dbraw/zinc/21/78/38/348217838.db2.gz YHGPKRDVDHOUAZ-DTWKUNHWSA-N 1 2 242.275 -0.356 20 0 BBADLO CCN1OC[C@@H]([N@@H+]2CC[C@H](C(=O)OC)C2)C1=O ZINC000595299355 348217836 /nfs/dbraw/zinc/21/78/36/348217836.db2.gz YHGPKRDVDHOUAZ-DTWKUNHWSA-N 1 2 242.275 -0.356 20 0 BBADLO CCN1OC[C@H]([N@H+]2CC[C@H](C(=O)OC)C2)C1=O ZINC000595299356 348218183 /nfs/dbraw/zinc/21/81/83/348218183.db2.gz YHGPKRDVDHOUAZ-IUCAKERBSA-N 1 2 242.275 -0.356 20 0 BBADLO CCN1OC[C@H]([N@@H+]2CC[C@H](C(=O)OC)C2)C1=O ZINC000595299356 348218181 /nfs/dbraw/zinc/21/81/81/348218181.db2.gz YHGPKRDVDHOUAZ-IUCAKERBSA-N 1 2 242.275 -0.356 20 0 BBADLO CCN1OC[C@@H]([N@H+]2CC[C@@H](C(=O)OC)C2)C1=O ZINC000595299357 348217990 /nfs/dbraw/zinc/21/79/90/348217990.db2.gz YHGPKRDVDHOUAZ-RKDXNWHRSA-N 1 2 242.275 -0.356 20 0 BBADLO CCN1OC[C@@H]([N@@H+]2CC[C@@H](C(=O)OC)C2)C1=O ZINC000595299357 348217987 /nfs/dbraw/zinc/21/79/87/348217987.db2.gz YHGPKRDVDHOUAZ-RKDXNWHRSA-N 1 2 242.275 -0.356 20 0 BBADLO COC(=O)CC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](O)C1 ZINC000595301516 385623989 /nfs/dbraw/zinc/62/39/89/385623989.db2.gz FXVIGLHKJSGKOO-BDAKNGLRSA-N 1 2 245.275 -0.452 20 0 BBADLO COC(=O)CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](O)C1 ZINC000595301516 385623984 /nfs/dbraw/zinc/62/39/84/385623984.db2.gz FXVIGLHKJSGKOO-BDAKNGLRSA-N 1 2 245.275 -0.452 20 0 BBADLO COC(=O)CC[C@H](C(=O)OC)[N@H+]1CC[C@H](O)C1 ZINC000595301517 385624112 /nfs/dbraw/zinc/62/41/12/385624112.db2.gz FXVIGLHKJSGKOO-DTWKUNHWSA-N 1 2 245.275 -0.452 20 0 BBADLO COC(=O)CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](O)C1 ZINC000595301517 385624107 /nfs/dbraw/zinc/62/41/07/385624107.db2.gz FXVIGLHKJSGKOO-DTWKUNHWSA-N 1 2 245.275 -0.452 20 0 BBADLO COC(=O)CC[C@@H](C(=O)OC)[N@H+]1CC[C@H](O)C1 ZINC000595301518 385624056 /nfs/dbraw/zinc/62/40/56/385624056.db2.gz FXVIGLHKJSGKOO-IUCAKERBSA-N 1 2 245.275 -0.452 20 0 BBADLO COC(=O)CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](O)C1 ZINC000595301518 385624051 /nfs/dbraw/zinc/62/40/51/385624051.db2.gz FXVIGLHKJSGKOO-IUCAKERBSA-N 1 2 245.275 -0.452 20 0 BBADLO COC(=O)CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](O)C1 ZINC000595301520 385624241 /nfs/dbraw/zinc/62/42/41/385624241.db2.gz FXVIGLHKJSGKOO-RKDXNWHRSA-N 1 2 245.275 -0.452 20 0 BBADLO COC(=O)CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](O)C1 ZINC000595301520 385624236 /nfs/dbraw/zinc/62/42/36/385624236.db2.gz FXVIGLHKJSGKOO-RKDXNWHRSA-N 1 2 245.275 -0.452 20 0 BBADLO CC[N@@H+](CCO)[C@H](CCC(=O)OC)C(=O)OC ZINC000595303724 348221345 /nfs/dbraw/zinc/22/13/45/348221345.db2.gz CDRXCQUYCRZWSZ-SECBINFHSA-N 1 2 247.291 -0.205 20 0 BBADLO CC[N@H+](CCO)[C@H](CCC(=O)OC)C(=O)OC ZINC000595303724 348221344 /nfs/dbraw/zinc/22/13/44/348221344.db2.gz CDRXCQUYCRZWSZ-SECBINFHSA-N 1 2 247.291 -0.205 20 0 BBADLO CC[N@@H+](CCO)[C@@H](CCC(=O)OC)C(=O)OC ZINC000595303725 348221411 /nfs/dbraw/zinc/22/14/11/348221411.db2.gz CDRXCQUYCRZWSZ-VIFPVBQESA-N 1 2 247.291 -0.205 20 0 BBADLO CC[N@H+](CCO)[C@@H](CCC(=O)OC)C(=O)OC ZINC000595303725 348221408 /nfs/dbraw/zinc/22/14/08/348221408.db2.gz CDRXCQUYCRZWSZ-VIFPVBQESA-N 1 2 247.291 -0.205 20 0 BBADLO COC[C@@H](C[N@H+]1C[C@H](O)C[C@H]1C(=O)OC)OC ZINC000595311026 348224038 /nfs/dbraw/zinc/22/40/38/348224038.db2.gz HDHPLVRPEIAHJB-BBBLOLIVSA-N 1 2 247.291 -0.744 20 0 BBADLO COC[C@@H](C[N@@H+]1C[C@H](O)C[C@H]1C(=O)OC)OC ZINC000595311026 348224035 /nfs/dbraw/zinc/22/40/35/348224035.db2.gz HDHPLVRPEIAHJB-BBBLOLIVSA-N 1 2 247.291 -0.744 20 0 BBADLO COC[C@H](C[N@H+]1C[C@H](O)C[C@H]1C(=O)OC)OC ZINC000595311028 348223633 /nfs/dbraw/zinc/22/36/33/348223633.db2.gz HDHPLVRPEIAHJB-UTLUCORTSA-N 1 2 247.291 -0.744 20 0 BBADLO COC[C@H](C[N@@H+]1C[C@H](O)C[C@H]1C(=O)OC)OC ZINC000595311028 348223632 /nfs/dbraw/zinc/22/36/32/348223632.db2.gz HDHPLVRPEIAHJB-UTLUCORTSA-N 1 2 247.291 -0.744 20 0 BBADLO COC[C@@H](C[N@H+]1CCO[C@@H](C(=O)OC)C1)OC ZINC000595312497 348223630 /nfs/dbraw/zinc/22/36/30/348223630.db2.gz YLXWRJZXJJTGAX-NXEZZACHSA-N 1 2 247.291 -0.478 20 0 BBADLO COC[C@@H](C[N@@H+]1CCO[C@@H](C(=O)OC)C1)OC ZINC000595312497 348223629 /nfs/dbraw/zinc/22/36/29/348223629.db2.gz YLXWRJZXJJTGAX-NXEZZACHSA-N 1 2 247.291 -0.478 20 0 BBADLO COC[C@H](C[N@H+]1CCO[C@H](C(=O)OC)C1)OC ZINC000595312498 348223668 /nfs/dbraw/zinc/22/36/68/348223668.db2.gz YLXWRJZXJJTGAX-UWVGGRQHSA-N 1 2 247.291 -0.478 20 0 BBADLO COC[C@H](C[N@@H+]1CCO[C@H](C(=O)OC)C1)OC ZINC000595312498 348223667 /nfs/dbraw/zinc/22/36/67/348223667.db2.gz YLXWRJZXJJTGAX-UWVGGRQHSA-N 1 2 247.291 -0.478 20 0 BBADLO COC[C@H](C[N@H+]1CCO[C@@H](C(=O)OC)C1)OC ZINC000595312499 348223702 /nfs/dbraw/zinc/22/37/02/348223702.db2.gz YLXWRJZXJJTGAX-VHSXEESVSA-N 1 2 247.291 -0.478 20 0 BBADLO COC[C@H](C[N@@H+]1CCO[C@@H](C(=O)OC)C1)OC ZINC000595312499 348223700 /nfs/dbraw/zinc/22/37/00/348223700.db2.gz YLXWRJZXJJTGAX-VHSXEESVSA-N 1 2 247.291 -0.478 20 0 BBADLO COC[C@@H](C[N@H+]1CCO[C@H](C(=O)OC)C1)OC ZINC000595312500 348223676 /nfs/dbraw/zinc/22/36/76/348223676.db2.gz YLXWRJZXJJTGAX-ZJUUUORDSA-N 1 2 247.291 -0.478 20 0 BBADLO COC[C@@H](C[N@@H+]1CCO[C@H](C(=O)OC)C1)OC ZINC000595312500 348223675 /nfs/dbraw/zinc/22/36/75/348223675.db2.gz YLXWRJZXJJTGAX-ZJUUUORDSA-N 1 2 247.291 -0.478 20 0 BBADLO COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cn(C)c[nH+]1 ZINC000595313907 348223718 /nfs/dbraw/zinc/22/37/18/348223718.db2.gz XHPJJYPMWAGHFB-ZJUUUORDSA-N 1 2 239.275 -0.472 20 0 BBADLO COC[C@@H](C[NH+]1CCS(=O)CC1)OC ZINC000595314496 348224422 /nfs/dbraw/zinc/22/44/22/348224422.db2.gz GQUBEEUIINMUHM-SECBINFHSA-N 1 2 221.322 -0.288 20 0 BBADLO COC[C@H](C[NH+]1CCS(=O)CC1)OC ZINC000595314501 348224447 /nfs/dbraw/zinc/22/44/47/348224447.db2.gz GQUBEEUIINMUHM-VIFPVBQESA-N 1 2 221.322 -0.288 20 0 BBADLO CNC(=O)NC(=O)CC[N@@H+](C)Cc1ncc[nH]1 ZINC000595399477 348238445 /nfs/dbraw/zinc/23/84/45/348238445.db2.gz KMYVDBJPVKOOTO-UHFFFAOYSA-N 1 2 239.279 -0.313 20 0 BBADLO CNC(=O)NC(=O)CC[N@H+](C)Cc1ncc[nH]1 ZINC000595399477 348238443 /nfs/dbraw/zinc/23/84/43/348238443.db2.gz KMYVDBJPVKOOTO-UHFFFAOYSA-N 1 2 239.279 -0.313 20 0 BBADLO C[N@@H+](CCC(=O)NC(N)=O)Cc1ncc[nH]1 ZINC000595402019 348239029 /nfs/dbraw/zinc/23/90/29/348239029.db2.gz RKSBGMSHNLIZMU-UHFFFAOYSA-N 1 2 225.252 -0.574 20 0 BBADLO C[N@H+](CCC(=O)NC(N)=O)Cc1ncc[nH]1 ZINC000595402019 348239027 /nfs/dbraw/zinc/23/90/27/348239027.db2.gz RKSBGMSHNLIZMU-UHFFFAOYSA-N 1 2 225.252 -0.574 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@@H+](C)Cc1ncc[nH]1 ZINC000595402260 348238981 /nfs/dbraw/zinc/23/89/81/348238981.db2.gz XEZJUWXIBUJDNY-JTQLQIEISA-N 1 2 227.264 -0.235 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@H+](C)Cc1ncc[nH]1 ZINC000595402260 348238979 /nfs/dbraw/zinc/23/89/79/348238979.db2.gz XEZJUWXIBUJDNY-JTQLQIEISA-N 1 2 227.264 -0.235 20 0 BBADLO COC(=O)[C@](C)(O)C[N@@H+](C)Cc1ncc[nH]1 ZINC000595402261 348238959 /nfs/dbraw/zinc/23/89/59/348238959.db2.gz XEZJUWXIBUJDNY-SNVBAGLBSA-N 1 2 227.264 -0.235 20 0 BBADLO COC(=O)[C@](C)(O)C[N@H+](C)Cc1ncc[nH]1 ZINC000595402261 348238957 /nfs/dbraw/zinc/23/89/57/348238957.db2.gz XEZJUWXIBUJDNY-SNVBAGLBSA-N 1 2 227.264 -0.235 20 0 BBADLO COC(=O)[C@@]1(NCc2cn(C)c[nH+]2)CCOC1 ZINC000595408288 348241046 /nfs/dbraw/zinc/24/10/46/348241046.db2.gz NYAACQMHLCXXJW-LLVKDONJSA-N 1 2 239.275 -0.158 20 0 BBADLO COC(=O)[C@]1(NCc2cn(C)c[nH+]2)CCOC1 ZINC000595408289 348240906 /nfs/dbraw/zinc/24/09/06/348240906.db2.gz NYAACQMHLCXXJW-NSHDSACASA-N 1 2 239.275 -0.158 20 0 BBADLO COC(=O)C1(O)CC[NH+](Cc2cn[nH]c2)CC1 ZINC000595408387 348240841 /nfs/dbraw/zinc/24/08/41/348240841.db2.gz JOSUWDVSSVASLO-UHFFFAOYSA-N 1 2 239.275 -0.090 20 0 BBADLO COC(=O)C1(O)CC[NH+](Cc2cc[nH]n2)CC1 ZINC000595408489 348240807 /nfs/dbraw/zinc/24/08/07/348240807.db2.gz LDJGJOHXGFHGJD-UHFFFAOYSA-N 1 2 239.275 -0.090 20 0 BBADLO COC(=O)CN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000595449313 348244828 /nfs/dbraw/zinc/24/48/28/348244828.db2.gz OVUHINBYSQIMRS-UHFFFAOYSA-N 1 2 238.291 -0.300 20 0 BBADLO COC[C@H](C[N@H+]1C[C@@H](O)C[C@H]1C(=O)OC)OC ZINC000595456822 348255285 /nfs/dbraw/zinc/25/52/85/348255285.db2.gz HDHPLVRPEIAHJB-GUBZILKMSA-N 1 2 247.291 -0.744 20 0 BBADLO COC[C@H](C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)OC)OC ZINC000595456822 348255282 /nfs/dbraw/zinc/25/52/82/348255282.db2.gz HDHPLVRPEIAHJB-GUBZILKMSA-N 1 2 247.291 -0.744 20 0 BBADLO COC[C@H](C[N@H+]1C[C@H](O)C[C@@H]1C(=O)OC)OC ZINC000595456823 348255324 /nfs/dbraw/zinc/25/53/24/348255324.db2.gz HDHPLVRPEIAHJB-KXUCPTDWSA-N 1 2 247.291 -0.744 20 0 BBADLO COC[C@H](C[N@@H+]1C[C@H](O)C[C@@H]1C(=O)OC)OC ZINC000595456823 348255320 /nfs/dbraw/zinc/25/53/20/348255320.db2.gz HDHPLVRPEIAHJB-KXUCPTDWSA-N 1 2 247.291 -0.744 20 0 BBADLO COC[C@H](C[N@H+]1C[C@@H](O)C[C@@H]1C(=O)OC)OC ZINC000595456824 348255514 /nfs/dbraw/zinc/25/55/14/348255514.db2.gz HDHPLVRPEIAHJB-LPEHRKFASA-N 1 2 247.291 -0.744 20 0 BBADLO COC[C@H](C[N@@H+]1C[C@@H](O)C[C@@H]1C(=O)OC)OC ZINC000595456824 348255513 /nfs/dbraw/zinc/25/55/13/348255513.db2.gz HDHPLVRPEIAHJB-LPEHRKFASA-N 1 2 247.291 -0.744 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)CN1Cc1cn(C)c[nH+]1 ZINC000595459221 348256250 /nfs/dbraw/zinc/25/62/50/348256250.db2.gz XHPJJYPMWAGHFB-NXEZZACHSA-N 1 2 239.275 -0.472 20 0 BBADLO COC(=O)[C@@H]1C[C@H](O)CN1Cc1cn(C)c[nH+]1 ZINC000595459222 348255978 /nfs/dbraw/zinc/25/59/78/348255978.db2.gz XHPJJYPMWAGHFB-UWVGGRQHSA-N 1 2 239.275 -0.472 20 0 BBADLO COC(=O)[C@H]1C[C@H](O)CN1Cc1cn(C)c[nH+]1 ZINC000595459223 348256285 /nfs/dbraw/zinc/25/62/85/348256285.db2.gz XHPJJYPMWAGHFB-VHSXEESVSA-N 1 2 239.275 -0.472 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+](C)CCc1cn[nH]n1 ZINC000595465043 348257643 /nfs/dbraw/zinc/25/76/43/348257643.db2.gz MPIRIVINZIZHGO-SSDOTTSWSA-N 1 2 212.253 -0.160 20 0 BBADLO COC(=O)[C@@H](C)[N@H+](C)CCc1cn[nH]n1 ZINC000595465043 348257641 /nfs/dbraw/zinc/25/76/41/348257641.db2.gz MPIRIVINZIZHGO-SSDOTTSWSA-N 1 2 212.253 -0.160 20 0 BBADLO COC(=O)CC[C@H](C(=O)OC)[N@@H+](C)CCCO ZINC000595471631 640822847 /nfs/dbraw/zinc/82/28/47/640822847.db2.gz CAJJUFBLWJOQPG-SECBINFHSA-N 1 2 247.291 -0.205 20 0 BBADLO COC(=O)CC[C@H](C(=O)OC)[N@H+](C)CCCO ZINC000595471631 640822845 /nfs/dbraw/zinc/82/28/45/640822845.db2.gz CAJJUFBLWJOQPG-SECBINFHSA-N 1 2 247.291 -0.205 20 0 BBADLO COC(=O)CC[C@@H](C(=O)OC)[N@@H+](C)CCCO ZINC000595471632 640823009 /nfs/dbraw/zinc/82/30/09/640823009.db2.gz CAJJUFBLWJOQPG-VIFPVBQESA-N 1 2 247.291 -0.205 20 0 BBADLO COC(=O)CC[C@@H](C(=O)OC)[N@H+](C)CCCO ZINC000595471632 640823006 /nfs/dbraw/zinc/82/30/06/640823006.db2.gz CAJJUFBLWJOQPG-VIFPVBQESA-N 1 2 247.291 -0.205 20 0 BBADLO COCCOC[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)OC ZINC000595472987 348259739 /nfs/dbraw/zinc/25/97/39/348259739.db2.gz JRZFXNREOUVBJD-UWVGGRQHSA-N 1 2 249.307 -0.496 20 0 BBADLO COCCOC[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)OC ZINC000595472987 348259738 /nfs/dbraw/zinc/25/97/38/348259738.db2.gz JRZFXNREOUVBJD-UWVGGRQHSA-N 1 2 249.307 -0.496 20 0 BBADLO COCCOC[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)OC ZINC000595472989 348259873 /nfs/dbraw/zinc/25/98/73/348259873.db2.gz JRZFXNREOUVBJD-VHSXEESVSA-N 1 2 249.307 -0.496 20 0 BBADLO COCCOC[C@H](O)C[N@H+](C)[C@@H](C)C(=O)OC ZINC000595472989 348259870 /nfs/dbraw/zinc/25/98/70/348259870.db2.gz JRZFXNREOUVBJD-VHSXEESVSA-N 1 2 249.307 -0.496 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H]1COCCO1 ZINC000595477367 348252501 /nfs/dbraw/zinc/25/25/01/348252501.db2.gz WNYQAWLXWJGTBS-BDAKNGLRSA-N 1 2 217.265 -0.105 20 0 BBADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H]1COCCO1 ZINC000595477367 348252498 /nfs/dbraw/zinc/25/24/98/348252498.db2.gz WNYQAWLXWJGTBS-BDAKNGLRSA-N 1 2 217.265 -0.105 20 0 BBADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H]1COCCO1 ZINC000595477368 348252210 /nfs/dbraw/zinc/25/22/10/348252210.db2.gz WNYQAWLXWJGTBS-DTWKUNHWSA-N 1 2 217.265 -0.105 20 0 BBADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H]1COCCO1 ZINC000595477368 348252207 /nfs/dbraw/zinc/25/22/07/348252207.db2.gz WNYQAWLXWJGTBS-DTWKUNHWSA-N 1 2 217.265 -0.105 20 0 BBADLO COC(=O)[C@H](C)[N@@H+](C)C[C@H]1COCCO1 ZINC000595477369 348252454 /nfs/dbraw/zinc/25/24/54/348252454.db2.gz WNYQAWLXWJGTBS-IUCAKERBSA-N 1 2 217.265 -0.105 20 0 BBADLO COC(=O)[C@H](C)[N@H+](C)C[C@H]1COCCO1 ZINC000595477369 348252449 /nfs/dbraw/zinc/25/24/49/348252449.db2.gz WNYQAWLXWJGTBS-IUCAKERBSA-N 1 2 217.265 -0.105 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1COCCO1 ZINC000595477370 348252247 /nfs/dbraw/zinc/25/22/47/348252247.db2.gz WNYQAWLXWJGTBS-RKDXNWHRSA-N 1 2 217.265 -0.105 20 0 BBADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H]1COCCO1 ZINC000595477370 348252244 /nfs/dbraw/zinc/25/22/44/348252244.db2.gz WNYQAWLXWJGTBS-RKDXNWHRSA-N 1 2 217.265 -0.105 20 0 BBADLO COC(=O)[C@](C)(O)CN1CCn2c[nH+]cc2C1 ZINC000595490529 348262316 /nfs/dbraw/zinc/26/23/16/348262316.db2.gz NYKLERFGQNEGBY-LLVKDONJSA-N 1 2 239.275 -0.377 20 0 BBADLO COC(=O)[C@@](C)(O)CN1CCn2c[nH+]cc2C1 ZINC000595490530 348262158 /nfs/dbraw/zinc/26/21/58/348262158.db2.gz NYKLERFGQNEGBY-NSHDSACASA-N 1 2 239.275 -0.377 20 0 BBADLO COC(=O)[C@@](C)(CO)[NH2+]CCSC ZINC000595525158 348270858 /nfs/dbraw/zinc/27/08/58/348270858.db2.gz CDBBDMCGDCDOEQ-MRVPVSSYSA-N 1 2 207.295 -0.137 20 0 BBADLO COC(=O)[C@](C)(CO)[NH2+]CCSC ZINC000595525159 348270583 /nfs/dbraw/zinc/27/05/83/348270583.db2.gz CDBBDMCGDCDOEQ-QMMMGPOBSA-N 1 2 207.295 -0.137 20 0 BBADLO CCn1cc[nH+]c1CN[C@](C)(CO)C(=O)OC ZINC000595525461 348270833 /nfs/dbraw/zinc/27/08/33/348270833.db2.gz ACKHSASAFONHPW-LLVKDONJSA-N 1 2 241.291 -0.083 20 0 BBADLO CCn1cc[nH+]c1CN[C@@](C)(CO)C(=O)OC ZINC000595525462 348270569 /nfs/dbraw/zinc/27/05/69/348270569.db2.gz ACKHSASAFONHPW-NSHDSACASA-N 1 2 241.291 -0.083 20 0 BBADLO CCOCCC[NH2+][C@@](C)(CO)C(=O)OC ZINC000595526254 348271539 /nfs/dbraw/zinc/27/15/39/348271539.db2.gz IPYAKFNEFICAAW-JTQLQIEISA-N 1 2 219.281 -0.073 20 0 BBADLO CCOCCC[NH2+][C@](C)(CO)C(=O)OC ZINC000595526255 348271242 /nfs/dbraw/zinc/27/12/42/348271242.db2.gz IPYAKFNEFICAAW-SNVBAGLBSA-N 1 2 219.281 -0.073 20 0 BBADLO CC[C@@H](O)C[NH2+][C@@](C)(CO)C(=O)OC ZINC000595526297 348271614 /nfs/dbraw/zinc/27/16/14/348271614.db2.gz JQMTVZQUZMYAAF-APPZFPTMSA-N 1 2 205.254 -0.729 20 0 BBADLO CC[C@H](O)C[NH2+][C@@](C)(CO)C(=O)OC ZINC000595526298 348271341 /nfs/dbraw/zinc/27/13/41/348271341.db2.gz JQMTVZQUZMYAAF-CBAPKCEASA-N 1 2 205.254 -0.729 20 0 BBADLO CC[C@H](O)C[NH2+][C@](C)(CO)C(=O)OC ZINC000595526299 348271226 /nfs/dbraw/zinc/27/12/26/348271226.db2.gz JQMTVZQUZMYAAF-IONNQARKSA-N 1 2 205.254 -0.729 20 0 BBADLO CC[C@@H](O)C[NH2+][C@](C)(CO)C(=O)OC ZINC000595526300 348271260 /nfs/dbraw/zinc/27/12/60/348271260.db2.gz JQMTVZQUZMYAAF-VXNVDRBHSA-N 1 2 205.254 -0.729 20 0 BBADLO COC(=O)[C@](C)(CO)[NH2+]CCCCCO ZINC000595526619 348271274 /nfs/dbraw/zinc/27/12/74/348271274.db2.gz KAYIIWNVFIFMFK-JTQLQIEISA-N 1 2 219.281 -0.337 20 0 BBADLO COC(=O)[C@@](C)(CO)[NH2+]CCCCCO ZINC000595526620 348271301 /nfs/dbraw/zinc/27/13/01/348271301.db2.gz KAYIIWNVFIFMFK-SNVBAGLBSA-N 1 2 219.281 -0.337 20 0 BBADLO COCCCC[NH2+][C@@](C)(CO)C(=O)OC ZINC000595526655 348271296 /nfs/dbraw/zinc/27/12/96/348271296.db2.gz KRQPWWZDPBOCPL-JTQLQIEISA-N 1 2 219.281 -0.073 20 0 BBADLO COCCCC[NH2+][C@](C)(CO)C(=O)OC ZINC000595526656 348271322 /nfs/dbraw/zinc/27/13/22/348271322.db2.gz KRQPWWZDPBOCPL-SNVBAGLBSA-N 1 2 219.281 -0.073 20 0 BBADLO COC(=O)[C@@](C)(CO)[NH2+]CC1CCOCC1 ZINC000595527020 348271488 /nfs/dbraw/zinc/27/14/88/348271488.db2.gz LZPJXGDDSGCXHH-LLVKDONJSA-N 1 2 231.292 -0.073 20 0 BBADLO COC(=O)[C@](C)(CO)[NH2+]CC1CCOCC1 ZINC000595527022 348272271 /nfs/dbraw/zinc/27/22/71/348272271.db2.gz LZPJXGDDSGCXHH-NSHDSACASA-N 1 2 231.292 -0.073 20 0 BBADLO COC(=O)[C@@](C)(CO)[NH2+]C[C@@H]1CCCOC1 ZINC000595527761 348272071 /nfs/dbraw/zinc/27/20/71/348272071.db2.gz JEGSCWMOXJUTQG-GXSJLCMTSA-N 1 2 231.292 -0.073 20 0 BBADLO COC(=O)[C@](C)(CO)[NH2+]C[C@H]1CCCOC1 ZINC000595527762 348272083 /nfs/dbraw/zinc/27/20/83/348272083.db2.gz JEGSCWMOXJUTQG-KOLCDFICSA-N 1 2 231.292 -0.073 20 0 BBADLO COC(=O)[C@@](C)(CO)[NH2+]C[C@H]1CCCOC1 ZINC000595527763 348271838 /nfs/dbraw/zinc/27/18/38/348271838.db2.gz JEGSCWMOXJUTQG-MWLCHTKSSA-N 1 2 231.292 -0.073 20 0 BBADLO COC(=O)[C@](C)(CO)[NH2+]C[C@@H]1CCCOC1 ZINC000595527764 348272255 /nfs/dbraw/zinc/27/22/55/348272255.db2.gz JEGSCWMOXJUTQG-ONGXEEELSA-N 1 2 231.292 -0.073 20 0 BBADLO COC(=O)[C@](C)(CO)[NH2+]CCC(C)(C)O ZINC000595527836 348272055 /nfs/dbraw/zinc/27/20/55/348272055.db2.gz RXJWZPXNMWKORA-JTQLQIEISA-N 1 2 219.281 -0.339 20 0 BBADLO COC(=O)[C@@](C)(CO)[NH2+]CCC(C)(C)O ZINC000595527837 348272202 /nfs/dbraw/zinc/27/22/02/348272202.db2.gz RXJWZPXNMWKORA-SNVBAGLBSA-N 1 2 219.281 -0.339 20 0 BBADLO COCCC[NH2+][C@](C)(CO)C(=O)OC ZINC000595527842 348271878 /nfs/dbraw/zinc/27/18/78/348271878.db2.gz RXUMVWFUZYKXCJ-SECBINFHSA-N 1 2 205.254 -0.464 20 0 BBADLO COCCC[NH2+][C@@](C)(CO)C(=O)OC ZINC000595527843 348271962 /nfs/dbraw/zinc/27/19/62/348271962.db2.gz RXUMVWFUZYKXCJ-VIFPVBQESA-N 1 2 205.254 -0.464 20 0 BBADLO COC(=O)[C@@](C)(CO)[NH2+]CCC[C@@H](C)O ZINC000595530897 348273174 /nfs/dbraw/zinc/27/31/74/348273174.db2.gz ASYZFOLWFKZMPT-PSASIEDQSA-N 1 2 219.281 -0.339 20 0 BBADLO COC(=O)[C@](C)(CO)[NH2+]CCC[C@@H](C)O ZINC000595530898 348273318 /nfs/dbraw/zinc/27/33/18/348273318.db2.gz ASYZFOLWFKZMPT-SCZZXKLOSA-N 1 2 219.281 -0.339 20 0 BBADLO COC(=O)[C@@](C)(CO)[NH2+]CCC[C@H](C)O ZINC000595530899 348273236 /nfs/dbraw/zinc/27/32/36/348273236.db2.gz ASYZFOLWFKZMPT-WCBMZHEXSA-N 1 2 219.281 -0.339 20 0 BBADLO COC(=O)[C@](C)(CO)[NH2+]CCC[C@H](C)O ZINC000595530900 348273091 /nfs/dbraw/zinc/27/30/91/348273091.db2.gz ASYZFOLWFKZMPT-WPRPVWTQSA-N 1 2 219.281 -0.339 20 0 BBADLO CCOCC[C@H](O)C[NH2+][C@](C)(CO)C(=O)OC ZINC000595531153 348273144 /nfs/dbraw/zinc/27/31/44/348273144.db2.gz CTFINBIDYDOJHK-GXSJLCMTSA-N 1 2 249.307 -0.713 20 0 BBADLO CCOCC[C@@H](O)C[NH2+][C@@](C)(CO)C(=O)OC ZINC000595531155 348273341 /nfs/dbraw/zinc/27/33/41/348273341.db2.gz CTFINBIDYDOJHK-KOLCDFICSA-N 1 2 249.307 -0.713 20 0 BBADLO CCOCC[C@@H](O)C[NH2+][C@](C)(CO)C(=O)OC ZINC000595531156 348273431 /nfs/dbraw/zinc/27/34/31/348273431.db2.gz CTFINBIDYDOJHK-MWLCHTKSSA-N 1 2 249.307 -0.713 20 0 BBADLO CCOCC[C@H](O)C[NH2+][C@@](C)(CO)C(=O)OC ZINC000595531158 348273232 /nfs/dbraw/zinc/27/32/32/348273232.db2.gz CTFINBIDYDOJHK-ONGXEEELSA-N 1 2 249.307 -0.713 20 0 BBADLO COC(=O)[C@](C)(CO)[NH2+]C[C@@H](C)CO ZINC000595531198 348273253 /nfs/dbraw/zinc/27/32/53/348273253.db2.gz DDCIQMOSONUHFF-APPZFPTMSA-N 1 2 205.254 -0.872 20 0 BBADLO COC(=O)[C@](C)(CO)[NH2+]C[C@H](C)CO ZINC000595531213 348273259 /nfs/dbraw/zinc/27/32/59/348273259.db2.gz DDCIQMOSONUHFF-CBAPKCEASA-N 1 2 205.254 -0.872 20 0 BBADLO COC(=O)[C@@](C)(CO)[NH2+]C[C@H](C)CO ZINC000595531214 348272993 /nfs/dbraw/zinc/27/29/93/348272993.db2.gz DDCIQMOSONUHFF-IONNQARKSA-N 1 2 205.254 -0.872 20 0 BBADLO COC(=O)[C@@](C)(CO)[NH2+]C[C@@H](C)CO ZINC000595531215 348273105 /nfs/dbraw/zinc/27/31/05/348273105.db2.gz DDCIQMOSONUHFF-VXNVDRBHSA-N 1 2 205.254 -0.872 20 0 BBADLO COC(=O)[C@](C)(CO)[NH2+]CC[C@@H](C)O ZINC000595531429 348273726 /nfs/dbraw/zinc/27/37/26/348273726.db2.gz GGTBIUZIGPHLMK-APPZFPTMSA-N 1 2 205.254 -0.729 20 0 BBADLO COC(=O)[C@](C)(CO)[NH2+]CC[C@H](C)O ZINC000595531430 348273831 /nfs/dbraw/zinc/27/38/31/348273831.db2.gz GGTBIUZIGPHLMK-CBAPKCEASA-N 1 2 205.254 -0.729 20 0 BBADLO COC(=O)[C@@](C)(CO)[NH2+]CC[C@H](C)O ZINC000595531431 348273755 /nfs/dbraw/zinc/27/37/55/348273755.db2.gz GGTBIUZIGPHLMK-IONNQARKSA-N 1 2 205.254 -0.729 20 0 BBADLO COC(=O)[C@@](C)(CO)[NH2+]CC[C@@H](C)O ZINC000595531432 348273737 /nfs/dbraw/zinc/27/37/37/348273737.db2.gz GGTBIUZIGPHLMK-VXNVDRBHSA-N 1 2 205.254 -0.729 20 0 BBADLO COC(=O)[C@@](C)(CO)[NH2+]CCCC(=O)N(C)C ZINC000595531562 348274035 /nfs/dbraw/zinc/27/40/35/348274035.db2.gz INZUQRSWGSHFLF-LLVKDONJSA-N 1 2 246.307 -0.632 20 0 BBADLO COC(=O)[C@](C)(CO)[NH2+]CCCC(=O)N(C)C ZINC000595531563 348273778 /nfs/dbraw/zinc/27/37/78/348273778.db2.gz INZUQRSWGSHFLF-NSHDSACASA-N 1 2 246.307 -0.632 20 0 BBADLO COC(=O)[C@](C)(CO)[NH2+]CCc1cn[nH]c1 ZINC000595531986 348273945 /nfs/dbraw/zinc/27/39/45/348273945.db2.gz NQXDEDBXGGNEPP-JTQLQIEISA-N 1 2 227.264 -0.534 20 0 BBADLO COC(=O)[C@@](C)(CO)[NH2+]CCc1cn[nH]c1 ZINC000595531987 348274065 /nfs/dbraw/zinc/27/40/65/348274065.db2.gz NQXDEDBXGGNEPP-SNVBAGLBSA-N 1 2 227.264 -0.534 20 0 BBADLO COC(=O)[C@@](C)(CO)NCCCn1cc[nH+]c1 ZINC000595532093 348274435 /nfs/dbraw/zinc/27/44/35/348274435.db2.gz ONYMSUXLICCMMP-LLVKDONJSA-N 1 2 241.291 -0.213 20 0 BBADLO COC(=O)[C@](C)(CO)NCCCn1cc[nH+]c1 ZINC000595532094 348274394 /nfs/dbraw/zinc/27/43/94/348274394.db2.gz ONYMSUXLICCMMP-NSHDSACASA-N 1 2 241.291 -0.213 20 0 BBADLO COC(=O)[C@@](C)(CO)[NH2+]C[C@H](O)C(C)(C)C ZINC000595532201 348274622 /nfs/dbraw/zinc/27/46/22/348274622.db2.gz PWIPLGJUONCNSS-GZMMTYOYSA-N 1 2 233.308 -0.093 20 0 BBADLO COC(=O)[C@](C)(CO)[NH2+]C[C@@H](O)C(C)(C)C ZINC000595532202 348274873 /nfs/dbraw/zinc/27/48/73/348274873.db2.gz PWIPLGJUONCNSS-KCJUWKMLSA-N 1 2 233.308 -0.093 20 0 BBADLO COC(=O)[C@](C)(CO)[NH2+]C[C@H](O)C(C)(C)C ZINC000595532203 348274444 /nfs/dbraw/zinc/27/44/44/348274444.db2.gz PWIPLGJUONCNSS-KWQFWETISA-N 1 2 233.308 -0.093 20 0 BBADLO COC(=O)[C@@](C)(CO)[NH2+]C[C@@H](O)C(C)(C)C ZINC000595532204 348274865 /nfs/dbraw/zinc/27/48/65/348274865.db2.gz PWIPLGJUONCNSS-LDYMZIIASA-N 1 2 233.308 -0.093 20 0 BBADLO COC(=O)[C@](C)(CO)NCCn1cc[nH+]c1 ZINC000595532563 348274629 /nfs/dbraw/zinc/27/46/29/348274629.db2.gz TXEBQINEYKSXEC-JTQLQIEISA-N 1 2 227.264 -0.603 20 0 BBADLO COC(=O)[C@@](C)(CO)NCCn1cc[nH+]c1 ZINC000595532565 348274410 /nfs/dbraw/zinc/27/44/10/348274410.db2.gz TXEBQINEYKSXEC-SNVBAGLBSA-N 1 2 227.264 -0.603 20 0 BBADLO COC(=O)[C@](C)(CO)[NH2+]CCC1(O)CCC1 ZINC000595533144 348274452 /nfs/dbraw/zinc/27/44/52/348274452.db2.gz HPILKRVDDDOUGW-JTQLQIEISA-N 1 2 231.292 -0.195 20 0 BBADLO COC(=O)[C@@](C)(CO)[NH2+]CCC1(O)CCC1 ZINC000595533145 348274770 /nfs/dbraw/zinc/27/47/70/348274770.db2.gz HPILKRVDDDOUGW-SNVBAGLBSA-N 1 2 231.292 -0.195 20 0 BBADLO COC(=O)[C@@](C)(CO)[NH2+]C[C@@H](O)C(C)C ZINC000595533384 348275381 /nfs/dbraw/zinc/27/53/81/348275381.db2.gz YSRSCVADAHLAFB-PSASIEDQSA-N 1 2 219.281 -0.483 20 0 BBADLO COC(=O)[C@](C)(CO)[NH2+]C[C@@H](O)C(C)C ZINC000595533386 348275076 /nfs/dbraw/zinc/27/50/76/348275076.db2.gz YSRSCVADAHLAFB-SCZZXKLOSA-N 1 2 219.281 -0.483 20 0 BBADLO COC(=O)[C@@](C)(CO)[NH2+]C[C@H](O)C(C)C ZINC000595533388 348275365 /nfs/dbraw/zinc/27/53/65/348275365.db2.gz YSRSCVADAHLAFB-WCBMZHEXSA-N 1 2 219.281 -0.483 20 0 BBADLO COC(=O)[C@](C)(CO)[NH2+]C[C@H](O)C(C)C ZINC000595533389 348275205 /nfs/dbraw/zinc/27/52/05/348275205.db2.gz YSRSCVADAHLAFB-WPRPVWTQSA-N 1 2 219.281 -0.483 20 0 BBADLO CCC[C@@H](O)C[NH2+][C@](C)(CO)C(=O)OC ZINC000595533524 348275592 /nfs/dbraw/zinc/27/55/92/348275592.db2.gz KWTQNSPZWQMWQX-PSASIEDQSA-N 1 2 219.281 -0.339 20 0 BBADLO CCC[C@@H](O)C[NH2+][C@@](C)(CO)C(=O)OC ZINC000595533525 348275497 /nfs/dbraw/zinc/27/54/97/348275497.db2.gz KWTQNSPZWQMWQX-SCZZXKLOSA-N 1 2 219.281 -0.339 20 0 BBADLO CCC[C@H](O)C[NH2+][C@](C)(CO)C(=O)OC ZINC000595533526 348275618 /nfs/dbraw/zinc/27/56/18/348275618.db2.gz KWTQNSPZWQMWQX-WCBMZHEXSA-N 1 2 219.281 -0.339 20 0 BBADLO CCC[C@H](O)C[NH2+][C@@](C)(CO)C(=O)OC ZINC000595533527 348275520 /nfs/dbraw/zinc/27/55/20/348275520.db2.gz KWTQNSPZWQMWQX-WPRPVWTQSA-N 1 2 219.281 -0.339 20 0 BBADLO COC(=O)CC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595546850 348267740 /nfs/dbraw/zinc/26/77/40/348267740.db2.gz JJHPDSGTZSVEDC-UHFFFAOYSA-N 1 2 215.209 -0.230 20 0 BBADLO COC(=O)CC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595546850 348267737 /nfs/dbraw/zinc/26/77/37/348267737.db2.gz JJHPDSGTZSVEDC-UHFFFAOYSA-N 1 2 215.209 -0.230 20 0 BBADLO COC(=O)[C@](C)(O)C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595547125 348267582 /nfs/dbraw/zinc/26/75/82/348267582.db2.gz MDOAYIMUOMTXRK-SECBINFHSA-N 1 2 245.235 -0.869 20 0 BBADLO COC(=O)[C@](C)(O)C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595547125 348267581 /nfs/dbraw/zinc/26/75/81/348267581.db2.gz MDOAYIMUOMTXRK-SECBINFHSA-N 1 2 245.235 -0.869 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595547127 348267945 /nfs/dbraw/zinc/26/79/45/348267945.db2.gz MDOAYIMUOMTXRK-VIFPVBQESA-N 1 2 245.235 -0.869 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595547127 348267943 /nfs/dbraw/zinc/26/79/43/348267943.db2.gz MDOAYIMUOMTXRK-VIFPVBQESA-N 1 2 245.235 -0.869 20 0 BBADLO CSC[C@@H](O)C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595548299 348268599 /nfs/dbraw/zinc/26/85/99/348268599.db2.gz VJTDROJJHWVIPI-LURJTMIESA-N 1 2 233.293 -0.069 20 0 BBADLO CSC[C@@H](O)C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595548299 348268598 /nfs/dbraw/zinc/26/85/98/348268598.db2.gz VJTDROJJHWVIPI-LURJTMIESA-N 1 2 233.293 -0.069 20 0 BBADLO CSC[C@H](O)C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595548300 348268531 /nfs/dbraw/zinc/26/85/31/348268531.db2.gz VJTDROJJHWVIPI-ZCFIWIBFSA-N 1 2 233.293 -0.069 20 0 BBADLO CSC[C@H](O)C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595548300 348268530 /nfs/dbraw/zinc/26/85/30/348268530.db2.gz VJTDROJJHWVIPI-ZCFIWIBFSA-N 1 2 233.293 -0.069 20 0 BBADLO CCNC(=O)C[N@@H+](C)CC(=O)NCC1CCC1 ZINC000595556989 348279618 /nfs/dbraw/zinc/27/96/18/348279618.db2.gz SUFBEULEZATDSE-UHFFFAOYSA-N 1 2 241.335 -0.029 20 0 BBADLO CCNC(=O)C[N@H+](C)CC(=O)NCC1CCC1 ZINC000595556989 348279614 /nfs/dbraw/zinc/27/96/14/348279614.db2.gz SUFBEULEZATDSE-UHFFFAOYSA-N 1 2 241.335 -0.029 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@@H+](C)Cc1cnc[nH]1 ZINC000595591118 348277676 /nfs/dbraw/zinc/27/76/76/348277676.db2.gz DHISOQWWRJTHQH-JTQLQIEISA-N 1 2 227.264 -0.235 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@H+](C)Cc1cnc[nH]1 ZINC000595591118 348277675 /nfs/dbraw/zinc/27/76/75/348277675.db2.gz DHISOQWWRJTHQH-JTQLQIEISA-N 1 2 227.264 -0.235 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@@H+](C)Cc1c[nH]cn1 ZINC000595591118 348277674 /nfs/dbraw/zinc/27/76/74/348277674.db2.gz DHISOQWWRJTHQH-JTQLQIEISA-N 1 2 227.264 -0.235 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@H+](C)Cc1c[nH]cn1 ZINC000595591118 348277673 /nfs/dbraw/zinc/27/76/73/348277673.db2.gz DHISOQWWRJTHQH-JTQLQIEISA-N 1 2 227.264 -0.235 20 0 BBADLO COC(=O)[C@](C)(O)C[N@@H+](C)Cc1cnc[nH]1 ZINC000595591120 348277720 /nfs/dbraw/zinc/27/77/20/348277720.db2.gz DHISOQWWRJTHQH-SNVBAGLBSA-N 1 2 227.264 -0.235 20 0 BBADLO COC(=O)[C@](C)(O)C[N@H+](C)Cc1cnc[nH]1 ZINC000595591120 348277718 /nfs/dbraw/zinc/27/77/18/348277718.db2.gz DHISOQWWRJTHQH-SNVBAGLBSA-N 1 2 227.264 -0.235 20 0 BBADLO COC(=O)[C@](C)(O)C[N@@H+](C)Cc1c[nH]cn1 ZINC000595591120 348277716 /nfs/dbraw/zinc/27/77/16/348277716.db2.gz DHISOQWWRJTHQH-SNVBAGLBSA-N 1 2 227.264 -0.235 20 0 BBADLO COC(=O)[C@](C)(O)C[N@H+](C)Cc1c[nH]cn1 ZINC000595591120 348277715 /nfs/dbraw/zinc/27/77/15/348277715.db2.gz DHISOQWWRJTHQH-SNVBAGLBSA-N 1 2 227.264 -0.235 20 0 BBADLO CNC(=O)NC(=O)CN(C)Cc1c[nH]c[nH+]1 ZINC000595595437 348294188 /nfs/dbraw/zinc/29/41/88/348294188.db2.gz IDKUDBPZMMKMRO-UHFFFAOYSA-N 1 2 225.252 -0.703 20 0 BBADLO CNC(=O)NC(=O)CN(C)Cc1c[nH+]c[nH]1 ZINC000595595437 348294187 /nfs/dbraw/zinc/29/41/87/348294187.db2.gz IDKUDBPZMMKMRO-UHFFFAOYSA-N 1 2 225.252 -0.703 20 0 BBADLO CCNC(=O)NC(=O)CN(C)Cc1c[nH]c[nH+]1 ZINC000595596820 348294738 /nfs/dbraw/zinc/29/47/38/348294738.db2.gz ODPDPVGKDPXNOB-UHFFFAOYSA-N 1 2 239.279 -0.313 20 0 BBADLO CCNC(=O)NC(=O)CN(C)Cc1c[nH+]c[nH]1 ZINC000595596820 348294737 /nfs/dbraw/zinc/29/47/37/348294737.db2.gz ODPDPVGKDPXNOB-UHFFFAOYSA-N 1 2 239.279 -0.313 20 0 BBADLO COC(=O)CNC(=O)CN(C)Cc1c[nH]c[nH+]1 ZINC000595597413 348295103 /nfs/dbraw/zinc/29/51/03/348295103.db2.gz POEKPZZUESRPFT-UHFFFAOYSA-N 1 2 240.263 -0.869 20 0 BBADLO COC(=O)CNC(=O)CN(C)Cc1c[nH+]c[nH]1 ZINC000595597413 348295101 /nfs/dbraw/zinc/29/51/01/348295101.db2.gz POEKPZZUESRPFT-UHFFFAOYSA-N 1 2 240.263 -0.869 20 0 BBADLO C[C@]1(C2CC2)C[N@@H+](CC(=O)NC(N)=O)CCO1 ZINC000595618344 348290079 /nfs/dbraw/zinc/29/00/79/348290079.db2.gz NUEGIFSXCMSJCW-LLVKDONJSA-N 1 2 241.291 -0.318 20 0 BBADLO C[C@]1(C2CC2)C[N@H+](CC(=O)NC(N)=O)CCO1 ZINC000595618344 348290076 /nfs/dbraw/zinc/29/00/76/348290076.db2.gz NUEGIFSXCMSJCW-LLVKDONJSA-N 1 2 241.291 -0.318 20 0 BBADLO C[C@@]1(C2CC2)C[N@@H+](CC(=O)NC(N)=O)CCO1 ZINC000595618346 348289659 /nfs/dbraw/zinc/28/96/59/348289659.db2.gz NUEGIFSXCMSJCW-NSHDSACASA-N 1 2 241.291 -0.318 20 0 BBADLO C[C@@]1(C2CC2)C[N@H+](CC(=O)NC(N)=O)CCO1 ZINC000595618346 348289657 /nfs/dbraw/zinc/28/96/57/348289657.db2.gz NUEGIFSXCMSJCW-NSHDSACASA-N 1 2 241.291 -0.318 20 0 BBADLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1csnn1 ZINC000595659695 348299788 /nfs/dbraw/zinc/29/97/88/348299788.db2.gz PWZYMWASRQPMDT-JGVFFNPUSA-N 1 2 243.288 -0.042 20 0 BBADLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1nnc(C)[nH]1 ZINC000595660084 348299669 /nfs/dbraw/zinc/29/96/69/348299669.db2.gz RZKQEQPXQOLHJK-IONNQARKSA-N 1 2 240.263 -0.467 20 0 BBADLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1nc(C)no1 ZINC000595663489 348301269 /nfs/dbraw/zinc/30/12/69/348301269.db2.gz KXWPJRXYCNKVJS-IONNQARKSA-N 1 2 241.247 -0.202 20 0 BBADLO C[C@@H]([NH2+]CC(=O)NC(N)=O)c1cscn1 ZINC000595668687 348302585 /nfs/dbraw/zinc/30/25/85/348302585.db2.gz OJODDOBBYPKVNK-RXMQYKEDSA-N 1 2 228.277 -0.011 20 0 BBADLO C[C@H]([NH2+]CC(=O)NC(N)=O)c1cscn1 ZINC000595668688 348302629 /nfs/dbraw/zinc/30/26/29/348302629.db2.gz OJODDOBBYPKVNK-YFKPBYRVSA-N 1 2 228.277 -0.011 20 0 BBADLO COC(=O)C12CC(C1)C[N@H+]2CCOCCO ZINC000595674224 348309306 /nfs/dbraw/zinc/30/93/06/348309306.db2.gz JULDMDCZEZBUPV-UHFFFAOYSA-N 1 2 229.276 -0.367 20 0 BBADLO COC(=O)C12CC(C1)C[N@@H+]2CCOCCO ZINC000595674224 348309305 /nfs/dbraw/zinc/30/93/05/348309305.db2.gz JULDMDCZEZBUPV-UHFFFAOYSA-N 1 2 229.276 -0.367 20 0 BBADLO C[C@@H]1COC2(CCC2)C[N@H+]1CC(=O)NC(N)=O ZINC000595674364 348309199 /nfs/dbraw/zinc/30/91/99/348309199.db2.gz KPNMRRMLAQCLHL-MRVPVSSYSA-N 1 2 241.291 -0.175 20 0 BBADLO C[C@@H]1COC2(CCC2)C[N@@H+]1CC(=O)NC(N)=O ZINC000595674364 348309195 /nfs/dbraw/zinc/30/91/95/348309195.db2.gz KPNMRRMLAQCLHL-MRVPVSSYSA-N 1 2 241.291 -0.175 20 0 BBADLO C[C@H]1COC2(CCC2)C[N@H+]1CC(=O)NC(N)=O ZINC000595674366 348309569 /nfs/dbraw/zinc/30/95/69/348309569.db2.gz KPNMRRMLAQCLHL-QMMMGPOBSA-N 1 2 241.291 -0.175 20 0 BBADLO C[C@H]1COC2(CCC2)C[N@@H+]1CC(=O)NC(N)=O ZINC000595674366 348309566 /nfs/dbraw/zinc/30/95/66/348309566.db2.gz KPNMRRMLAQCLHL-QMMMGPOBSA-N 1 2 241.291 -0.175 20 0 BBADLO COC(=O)C12CC(C1)C[N@H+]2CCn1cncn1 ZINC000595675719 348310062 /nfs/dbraw/zinc/31/00/62/348310062.db2.gz VMSLCVKDIBIKJJ-UHFFFAOYSA-N 1 2 236.275 -0.085 20 0 BBADLO COC(=O)C12CC(C1)C[N@@H+]2CCn1cncn1 ZINC000595675719 348310056 /nfs/dbraw/zinc/31/00/56/348310056.db2.gz VMSLCVKDIBIKJJ-UHFFFAOYSA-N 1 2 236.275 -0.085 20 0 BBADLO COC(=O)C12CC(C1)C[N@H+]2CCc1c[nH]nn1 ZINC000595679275 348311089 /nfs/dbraw/zinc/31/10/89/348311089.db2.gz BHXLSACOXSMPCA-UHFFFAOYSA-N 1 2 236.275 -0.015 20 0 BBADLO COC(=O)C12CC(C1)C[N@@H+]2CCc1c[nH]nn1 ZINC000595679275 348311087 /nfs/dbraw/zinc/31/10/87/348311087.db2.gz BHXLSACOXSMPCA-UHFFFAOYSA-N 1 2 236.275 -0.015 20 0 BBADLO COC(=O)C12CC(C1)C[N@H+]2CCc1cn[nH]n1 ZINC000595679275 348311084 /nfs/dbraw/zinc/31/10/84/348311084.db2.gz BHXLSACOXSMPCA-UHFFFAOYSA-N 1 2 236.275 -0.015 20 0 BBADLO COC(=O)C12CC(C1)C[N@@H+]2CCc1cn[nH]n1 ZINC000595679275 348311082 /nfs/dbraw/zinc/31/10/82/348311082.db2.gz BHXLSACOXSMPCA-UHFFFAOYSA-N 1 2 236.275 -0.015 20 0 BBADLO COC(=O)C12CC(C1)C[N@H+]2C[C@@H]1CCC(=O)N1 ZINC000595680817 348312522 /nfs/dbraw/zinc/31/25/22/348312522.db2.gz XJAIZFDFJDUVLI-XEVUQIKYSA-N 1 2 238.287 -0.098 20 0 BBADLO COC(=O)C12CC(C1)C[N@@H+]2C[C@@H]1CCC(=O)N1 ZINC000595680817 348312518 /nfs/dbraw/zinc/31/25/18/348312518.db2.gz XJAIZFDFJDUVLI-XEVUQIKYSA-N 1 2 238.287 -0.098 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000595716206 348326604 /nfs/dbraw/zinc/32/66/04/348326604.db2.gz XBEXLANKVDDMAB-BWZBUEFSSA-N 1 2 241.291 -0.273 20 0 BBADLO C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000595716207 348326355 /nfs/dbraw/zinc/32/63/55/348326355.db2.gz XBEXLANKVDDMAB-PRJMDXOYSA-N 1 2 241.291 -0.273 20 0 BBADLO CC[C@H](C(=O)OC)[NH+]1CCC(O)(CO)CC1 ZINC000595736942 348319125 /nfs/dbraw/zinc/31/91/25/348319125.db2.gz NUHLYFYCHXEOKR-SECBINFHSA-N 1 2 231.292 -0.243 20 0 BBADLO CC[C@@H](C(=O)OC)[NH+]1CCC(O)(CO)CC1 ZINC000595736943 348318996 /nfs/dbraw/zinc/31/89/96/348318996.db2.gz NUHLYFYCHXEOKR-VIFPVBQESA-N 1 2 231.292 -0.243 20 0 BBADLO COC(=O)C[N@@H+](C)C[C@@H]1COCCO1 ZINC000595744977 348339656 /nfs/dbraw/zinc/33/96/56/348339656.db2.gz XAJZYBOAGRMGKM-MRVPVSSYSA-N 1 2 203.238 -0.493 20 0 BBADLO COC(=O)C[N@H+](C)C[C@@H]1COCCO1 ZINC000595744977 348339654 /nfs/dbraw/zinc/33/96/54/348339654.db2.gz XAJZYBOAGRMGKM-MRVPVSSYSA-N 1 2 203.238 -0.493 20 0 BBADLO COC(=O)C[N@@H+](C)C[C@H]1COCCO1 ZINC000595744978 348339647 /nfs/dbraw/zinc/33/96/47/348339647.db2.gz XAJZYBOAGRMGKM-QMMMGPOBSA-N 1 2 203.238 -0.493 20 0 BBADLO COC(=O)C[N@H+](C)C[C@H]1COCCO1 ZINC000595744978 348339641 /nfs/dbraw/zinc/33/96/41/348339641.db2.gz XAJZYBOAGRMGKM-QMMMGPOBSA-N 1 2 203.238 -0.493 20 0 BBADLO CSC[C@H](O)C[N@@H+](C)Cc1cn(C)nn1 ZINC000595757287 348331167 /nfs/dbraw/zinc/33/11/67/348331167.db2.gz BLLLZLSHHFVUKX-SECBINFHSA-N 1 2 230.337 -0.029 20 0 BBADLO CSC[C@H](O)C[N@H+](C)Cc1cn(C)nn1 ZINC000595757287 348331165 /nfs/dbraw/zinc/33/11/65/348331165.db2.gz BLLLZLSHHFVUKX-SECBINFHSA-N 1 2 230.337 -0.029 20 0 BBADLO CSC[C@@H](O)C[N@@H+](C)Cc1cn(C)nn1 ZINC000595757289 348331273 /nfs/dbraw/zinc/33/12/73/348331273.db2.gz BLLLZLSHHFVUKX-VIFPVBQESA-N 1 2 230.337 -0.029 20 0 BBADLO CSC[C@@H](O)C[N@H+](C)Cc1cn(C)nn1 ZINC000595757289 348331270 /nfs/dbraw/zinc/33/12/70/348331270.db2.gz BLLLZLSHHFVUKX-VIFPVBQESA-N 1 2 230.337 -0.029 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@@H+](C)Cc1cn(C)nn1 ZINC000595758969 348332043 /nfs/dbraw/zinc/33/20/43/348332043.db2.gz MLDQMGZEDUUMAI-JTQLQIEISA-N 1 2 242.279 -0.829 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@H+](C)Cc1cn(C)nn1 ZINC000595758969 348332038 /nfs/dbraw/zinc/33/20/38/348332038.db2.gz MLDQMGZEDUUMAI-JTQLQIEISA-N 1 2 242.279 -0.829 20 0 BBADLO COC(=O)[C@](C)(O)C[N@@H+](C)Cc1cn(C)nn1 ZINC000595758975 348332182 /nfs/dbraw/zinc/33/21/82/348332182.db2.gz MLDQMGZEDUUMAI-SNVBAGLBSA-N 1 2 242.279 -0.829 20 0 BBADLO COC(=O)[C@](C)(O)C[N@H+](C)Cc1cn(C)nn1 ZINC000595758975 348332179 /nfs/dbraw/zinc/33/21/79/348332179.db2.gz MLDQMGZEDUUMAI-SNVBAGLBSA-N 1 2 242.279 -0.829 20 0 BBADLO COC(=O)[C@](C)(CCF)[NH2+]CCOCCO ZINC000595768491 348335556 /nfs/dbraw/zinc/33/55/56/348335556.db2.gz DMFYIOASIWIWMF-JTQLQIEISA-N 1 2 237.271 -0.124 20 0 BBADLO COC(=O)[C@@](C)(CCF)[NH2+]CCOCCO ZINC000595768492 348336035 /nfs/dbraw/zinc/33/60/35/348336035.db2.gz DMFYIOASIWIWMF-SNVBAGLBSA-N 1 2 237.271 -0.124 20 0 BBADLO COC[C@H](O)C[NH2+][C@](C)(CCF)C(=O)OC ZINC000595769709 348335875 /nfs/dbraw/zinc/33/58/75/348335875.db2.gz OSTFCSOZNZMUEJ-PSASIEDQSA-N 1 2 237.271 -0.125 20 0 BBADLO COC[C@H](O)C[NH2+][C@@](C)(CCF)C(=O)OC ZINC000595769710 348335820 /nfs/dbraw/zinc/33/58/20/348335820.db2.gz OSTFCSOZNZMUEJ-SCZZXKLOSA-N 1 2 237.271 -0.125 20 0 BBADLO COC[C@@H](O)C[NH2+][C@](C)(CCF)C(=O)OC ZINC000595769711 348335514 /nfs/dbraw/zinc/33/55/14/348335514.db2.gz OSTFCSOZNZMUEJ-WCBMZHEXSA-N 1 2 237.271 -0.125 20 0 BBADLO COC[C@@H](O)C[NH2+][C@@](C)(CCF)C(=O)OC ZINC000595769712 348335570 /nfs/dbraw/zinc/33/55/70/348335570.db2.gz OSTFCSOZNZMUEJ-WPRPVWTQSA-N 1 2 237.271 -0.125 20 0 BBADLO COC(=O)C[N@@H+]1CCC(=O)N(C)CC1 ZINC000595773640 348337172 /nfs/dbraw/zinc/33/71/72/348337172.db2.gz RMYDLAZSYQVWPD-UHFFFAOYSA-N 1 2 200.238 -0.677 20 0 BBADLO COC(=O)C[N@H+]1CCC(=O)N(C)CC1 ZINC000595773640 348337170 /nfs/dbraw/zinc/33/71/70/348337170.db2.gz RMYDLAZSYQVWPD-UHFFFAOYSA-N 1 2 200.238 -0.677 20 0 BBADLO CCOC(=O)C[N@@H+]1CCC(=O)N(C)CC1 ZINC000595775028 348337987 /nfs/dbraw/zinc/33/79/87/348337987.db2.gz ZDDNOUDAQOZMFI-UHFFFAOYSA-N 1 2 214.265 -0.286 20 0 BBADLO CCOC(=O)C[N@H+]1CCC(=O)N(C)CC1 ZINC000595775028 348337984 /nfs/dbraw/zinc/33/79/84/348337984.db2.gz ZDDNOUDAQOZMFI-UHFFFAOYSA-N 1 2 214.265 -0.286 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+]1CCC(=O)N(C)CC1 ZINC000595783240 348344728 /nfs/dbraw/zinc/34/47/28/348344728.db2.gz PKJCATPGULTQRJ-MRVPVSSYSA-N 1 2 214.265 -0.288 20 0 BBADLO COC(=O)[C@@H](C)[N@H+]1CCC(=O)N(C)CC1 ZINC000595783240 348344726 /nfs/dbraw/zinc/34/47/26/348344726.db2.gz PKJCATPGULTQRJ-MRVPVSSYSA-N 1 2 214.265 -0.288 20 0 BBADLO COC(=O)[C@H](C)[N@@H+]1CCC(=O)N(C)CC1 ZINC000595783241 348345274 /nfs/dbraw/zinc/34/52/74/348345274.db2.gz PKJCATPGULTQRJ-QMMMGPOBSA-N 1 2 214.265 -0.288 20 0 BBADLO COC(=O)[C@H](C)[N@H+]1CCC(=O)N(C)CC1 ZINC000595783241 348345271 /nfs/dbraw/zinc/34/52/71/348345271.db2.gz PKJCATPGULTQRJ-QMMMGPOBSA-N 1 2 214.265 -0.288 20 0 BBADLO CCOC(=O)C[N@H+]1CCC(CO)(CO)C1 ZINC000595798839 348346366 /nfs/dbraw/zinc/34/63/66/348346366.db2.gz IBMVYRKQRHJMIM-UHFFFAOYSA-N 1 2 217.265 -0.774 20 0 BBADLO CCOC(=O)C[N@@H+]1CCC(CO)(CO)C1 ZINC000595798839 348346361 /nfs/dbraw/zinc/34/63/61/348346361.db2.gz IBMVYRKQRHJMIM-UHFFFAOYSA-N 1 2 217.265 -0.774 20 0 BBADLO CCOC(=O)[C@@H](C)[N@H+]1CCC(CO)(CO)C1 ZINC000595801404 348347695 /nfs/dbraw/zinc/34/76/95/348347695.db2.gz WPVKPGMNBRWNJG-SECBINFHSA-N 1 2 231.292 -0.385 20 0 BBADLO CCOC(=O)[C@@H](C)[N@@H+]1CCC(CO)(CO)C1 ZINC000595801404 348347692 /nfs/dbraw/zinc/34/76/92/348347692.db2.gz WPVKPGMNBRWNJG-SECBINFHSA-N 1 2 231.292 -0.385 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+]1CCC(CO)(CO)C1 ZINC000595801405 348347751 /nfs/dbraw/zinc/34/77/51/348347751.db2.gz WPVKPGMNBRWNJG-VIFPVBQESA-N 1 2 231.292 -0.385 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+]1CCC(CO)(CO)C1 ZINC000595801405 348347750 /nfs/dbraw/zinc/34/77/50/348347750.db2.gz WPVKPGMNBRWNJG-VIFPVBQESA-N 1 2 231.292 -0.385 20 0 BBADLO COC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000595823909 348363850 /nfs/dbraw/zinc/36/38/50/348363850.db2.gz UGHIUYXRQRNEDI-SECBINFHSA-N 1 2 243.307 -0.153 20 0 BBADLO COC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000595823909 348363848 /nfs/dbraw/zinc/36/38/48/348363848.db2.gz UGHIUYXRQRNEDI-SECBINFHSA-N 1 2 243.307 -0.153 20 0 BBADLO COC(=O)C[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000595823910 348364259 /nfs/dbraw/zinc/36/42/59/348364259.db2.gz UGHIUYXRQRNEDI-VIFPVBQESA-N 1 2 243.307 -0.153 20 0 BBADLO COC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000595823910 348364256 /nfs/dbraw/zinc/36/42/56/348364256.db2.gz UGHIUYXRQRNEDI-VIFPVBQESA-N 1 2 243.307 -0.153 20 0 BBADLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2nnnn2C)C1 ZINC000595847605 348355286 /nfs/dbraw/zinc/35/52/86/348355286.db2.gz IRMOFZZRIVZJCL-OCAPTIKFSA-N 1 2 239.279 -0.407 20 0 BBADLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2nnnn2C)C1 ZINC000595847605 348355284 /nfs/dbraw/zinc/35/52/84/348355284.db2.gz IRMOFZZRIVZJCL-OCAPTIKFSA-N 1 2 239.279 -0.407 20 0 BBADLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000595856747 348357709 /nfs/dbraw/zinc/35/77/09/348357709.db2.gz RIIGKCXZRBVWCA-KNVOCYPGSA-N 1 2 240.263 -0.106 20 0 BBADLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000595856747 348357707 /nfs/dbraw/zinc/35/77/07/348357707.db2.gz RIIGKCXZRBVWCA-KNVOCYPGSA-N 1 2 240.263 -0.106 20 0 BBADLO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC000595909534 348398145 /nfs/dbraw/zinc/39/81/45/348398145.db2.gz BJJLACSWEZNJRW-SFYZADRCSA-N 1 2 239.279 -0.359 20 0 BBADLO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000595911290 348398804 /nfs/dbraw/zinc/39/88/04/348398804.db2.gz XPECWZUMIAYCKX-RQJHMYQMSA-N 1 2 240.263 -0.058 20 0 BBADLO CCOC(=O)[C@H](N)C(=O)Nc1ccc(N)[nH+]c1 ZINC000595924031 411863493 /nfs/dbraw/zinc/86/34/93/411863493.db2.gz FYKAVOBCYXTTJJ-MRVPVSSYSA-N 1 2 238.247 -0.507 20 0 BBADLO CCOC(=O)[C@@H](N)C(=O)Nc1ccc(N)[nH+]c1 ZINC000595924032 411863026 /nfs/dbraw/zinc/86/30/26/411863026.db2.gz FYKAVOBCYXTTJJ-QMMMGPOBSA-N 1 2 238.247 -0.507 20 0 BBADLO COC(=O)Cc1cc[nH+]c(N2CCNC(=O)C2)c1 ZINC000596049760 348432595 /nfs/dbraw/zinc/43/25/95/348432595.db2.gz LUHDJGXDYROCSB-UHFFFAOYSA-N 1 2 249.270 -0.267 20 0 BBADLO COC(=O)Cc1cc[nH+]c(N(C)CC(N)=O)c1 ZINC000596077502 348439019 /nfs/dbraw/zinc/43/90/19/348439019.db2.gz JKECNAHAGGQURO-UHFFFAOYSA-N 1 2 237.259 -0.281 20 0 BBADLO COC(=O)Cc1cc[nH+]c(N2CC(O)C2)c1 ZINC000596104659 348440227 /nfs/dbraw/zinc/44/02/27/348440227.db2.gz KMZOCVCJNNJJPV-UHFFFAOYSA-N 1 2 222.244 -0.022 20 0 BBADLO COC(=O)Cc1cc[nH+]c(NC(CO)CO)c1 ZINC000596136575 348448299 /nfs/dbraw/zinc/44/82/99/348448299.db2.gz CPMBTXMAAQISEO-UHFFFAOYSA-N 1 2 240.259 -0.438 20 0 BBADLO COC(=O)Cc1cc[nH+]c(NC[C@@H](O)CO)c1 ZINC000596165023 348459872 /nfs/dbraw/zinc/45/98/72/348459872.db2.gz GGUVDTSXBBWGSJ-SECBINFHSA-N 1 2 240.259 -0.438 20 0 BBADLO COC(=O)Cc1cc[nH+]c(NC[C@H](O)CO)c1 ZINC000596165024 348459853 /nfs/dbraw/zinc/45/98/53/348459853.db2.gz GGUVDTSXBBWGSJ-VIFPVBQESA-N 1 2 240.259 -0.438 20 0 BBADLO COC(=O)CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000596631141 348597418 /nfs/dbraw/zinc/59/74/18/348597418.db2.gz UJRZEYTVFLVAGC-SSDOTTSWSA-N 1 2 237.259 -0.196 20 0 BBADLO COC(=O)CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000596631141 348597417 /nfs/dbraw/zinc/59/74/17/348597417.db2.gz UJRZEYTVFLVAGC-SSDOTTSWSA-N 1 2 237.259 -0.196 20 0 BBADLO COC(=O)CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000596631142 348597383 /nfs/dbraw/zinc/59/73/83/348597383.db2.gz UJRZEYTVFLVAGC-ZETCQYMHSA-N 1 2 237.259 -0.196 20 0 BBADLO COC(=O)CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000596631142 348597380 /nfs/dbraw/zinc/59/73/80/348597380.db2.gz UJRZEYTVFLVAGC-ZETCQYMHSA-N 1 2 237.259 -0.196 20 0 BBADLO Cc1cccn2cc(CC(=O)NCC(N)=O)[nH+]c12 ZINC000596943678 348638285 /nfs/dbraw/zinc/63/82/85/348638285.db2.gz KRGVZXZTEFTOGN-UHFFFAOYSA-N 1 2 246.270 -0.213 20 0 BBADLO CNC(=O)C[N@@H+](C)Cc1c[nH]c(C(=O)OC)c1 ZINC000597249045 348707478 /nfs/dbraw/zinc/70/74/78/348707478.db2.gz FTLRPXMEQPUMCH-UHFFFAOYSA-N 1 2 239.275 -0.021 20 0 BBADLO CNC(=O)C[N@H+](C)Cc1c[nH]c(C(=O)OC)c1 ZINC000597249045 348707476 /nfs/dbraw/zinc/70/74/76/348707476.db2.gz FTLRPXMEQPUMCH-UHFFFAOYSA-N 1 2 239.275 -0.021 20 0 BBADLO CNC(=O)C[N@@H+](C)Cc1ccc(C(=O)OC)[nH]1 ZINC000597250275 348708123 /nfs/dbraw/zinc/70/81/23/348708123.db2.gz VACPWHWJTROXAN-UHFFFAOYSA-N 1 2 239.275 -0.021 20 0 BBADLO CNC(=O)C[N@H+](C)Cc1ccc(C(=O)OC)[nH]1 ZINC000597250275 348708120 /nfs/dbraw/zinc/70/81/20/348708120.db2.gz VACPWHWJTROXAN-UHFFFAOYSA-N 1 2 239.275 -0.021 20 0 BBADLO COC(=O)[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000598514627 348987311 /nfs/dbraw/zinc/98/73/11/348987311.db2.gz JUYPVYSLFBWNKV-KYZUINATSA-N 1 2 237.259 -0.049 20 0 BBADLO CCOC(=O)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598943275 349063011 /nfs/dbraw/zinc/06/30/11/349063011.db2.gz FVFQBLWAXFCALX-MRVPVSSYSA-N 1 2 237.259 -0.123 20 0 BBADLO CCOC(=O)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598943276 349062678 /nfs/dbraw/zinc/06/26/78/349062678.db2.gz FVFQBLWAXFCALX-QMMMGPOBSA-N 1 2 237.259 -0.123 20 0 BBADLO COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598946950 349064285 /nfs/dbraw/zinc/06/42/85/349064285.db2.gz JGVVAXQQSYXCRH-FKTZTGRPSA-N 1 2 249.270 -0.267 20 0 BBADLO COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598946953 349064148 /nfs/dbraw/zinc/06/41/48/349064148.db2.gz JGVVAXQQSYXCRH-UJNFCWOMSA-N 1 2 249.270 -0.267 20 0 BBADLO COC(=O)C1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000598946987 349064591 /nfs/dbraw/zinc/06/45/91/349064591.db2.gz KGNSYXAXMHTTII-MRVPVSSYSA-N 1 2 249.270 -0.123 20 0 BBADLO COC(=O)C1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000598946988 349064235 /nfs/dbraw/zinc/06/42/35/349064235.db2.gz KGNSYXAXMHTTII-QMMMGPOBSA-N 1 2 249.270 -0.123 20 0 BBADLO CSCCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000598963627 349068682 /nfs/dbraw/zinc/06/86/82/349068682.db2.gz MWRJPJVZBIYIQP-SECBINFHSA-N 1 2 247.364 -0.021 20 0 BBADLO CSCCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000598963627 349068678 /nfs/dbraw/zinc/06/86/78/349068678.db2.gz MWRJPJVZBIYIQP-SECBINFHSA-N 1 2 247.364 -0.021 20 0 BBADLO CSCCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000598963633 349068625 /nfs/dbraw/zinc/06/86/25/349068625.db2.gz MWRJPJVZBIYIQP-VIFPVBQESA-N 1 2 247.364 -0.021 20 0 BBADLO CSCCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000598963633 349068621 /nfs/dbraw/zinc/06/86/21/349068621.db2.gz MWRJPJVZBIYIQP-VIFPVBQESA-N 1 2 247.364 -0.021 20 0 BBADLO COC(=O)COCCNc1cc[nH+]c(C)n1 ZINC000599159226 412328100 /nfs/dbraw/zinc/32/81/00/412328100.db2.gz MNDPOVJAJURCIL-UHFFFAOYSA-N 1 2 225.248 0.387 20 0 BBADLO COC(=O)COCCNc1cc(C)[nH+]cn1 ZINC000599160298 411262892 /nfs/dbraw/zinc/26/28/92/411262892.db2.gz WYTUWLKRCQYTRD-UHFFFAOYSA-N 1 2 225.248 0.387 20 0 BBADLO CCc1cc(NC[C@H](O)CC(=O)OC)nc[nH+]1 ZINC000599161895 411769550 /nfs/dbraw/zinc/76/95/50/411769550.db2.gz CVQPXFHMBNCZCY-SECBINFHSA-N 1 2 239.275 0.375 20 0 BBADLO CCc1cc(NC[C@@H](O)CC(=O)OC)nc[nH+]1 ZINC000599161897 411768913 /nfs/dbraw/zinc/76/89/13/411768913.db2.gz CVQPXFHMBNCZCY-VIFPVBQESA-N 1 2 239.275 0.375 20 0 BBADLO COC(=O)C[C@@H](O)CNc1cc(C)[nH+]cn1 ZINC000599162777 412329884 /nfs/dbraw/zinc/32/98/84/412329884.db2.gz QGJXECGACKPXBG-MRVPVSSYSA-N 1 2 225.248 0.121 20 0 BBADLO COC(=O)C[C@H](O)CNc1cc(C)[nH+]cn1 ZINC000599162778 412329305 /nfs/dbraw/zinc/32/93/05/412329305.db2.gz QGJXECGACKPXBG-QMMMGPOBSA-N 1 2 225.248 0.121 20 0 BBADLO COC(=O)C[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC000599163439 412328396 /nfs/dbraw/zinc/32/83/96/412328396.db2.gz VGKPEPAGQHFWKZ-MRVPVSSYSA-N 1 2 225.248 0.121 20 0 BBADLO COC(=O)C[C@H](O)CNc1cc[nH+]c(C)n1 ZINC000599163440 411262659 /nfs/dbraw/zinc/26/26/59/411262659.db2.gz VGKPEPAGQHFWKZ-QMMMGPOBSA-N 1 2 225.248 0.121 20 0 BBADLO COC(=O)CCCC[N@H+]1CCNC(=O)C1 ZINC000599252653 349131488 /nfs/dbraw/zinc/13/14/88/349131488.db2.gz WFRGCKRESSUUMH-UHFFFAOYSA-N 1 2 214.265 -0.239 20 0 BBADLO COC(=O)CCCC[N@@H+]1CCNC(=O)C1 ZINC000599252653 349131482 /nfs/dbraw/zinc/13/14/82/349131482.db2.gz WFRGCKRESSUUMH-UHFFFAOYSA-N 1 2 214.265 -0.239 20 0 BBADLO COC(=O)C[N@@H+](C)CCc1cn(C)nn1 ZINC000599257978 349132453 /nfs/dbraw/zinc/13/24/53/349132453.db2.gz BAMVBSWYXNVVEU-UHFFFAOYSA-N 1 2 212.253 -0.538 20 0 BBADLO COC(=O)C[N@H+](C)CCc1cn(C)nn1 ZINC000599257978 349132448 /nfs/dbraw/zinc/13/24/48/349132448.db2.gz BAMVBSWYXNVVEU-UHFFFAOYSA-N 1 2 212.253 -0.538 20 0 BBADLO COC(=O)C[N@@H+](C)C[C@H](O)CC1(O)CCC1 ZINC000599258416 349133313 /nfs/dbraw/zinc/13/33/13/349133313.db2.gz FSRPQBYRBSCWQS-SECBINFHSA-N 1 2 231.292 -0.243 20 0 BBADLO COC(=O)C[N@H+](C)C[C@H](O)CC1(O)CCC1 ZINC000599258416 349133310 /nfs/dbraw/zinc/13/33/10/349133310.db2.gz FSRPQBYRBSCWQS-SECBINFHSA-N 1 2 231.292 -0.243 20 0 BBADLO COC(=O)C[N@@H+](C)C[C@@H](O)CC1(O)CCC1 ZINC000599258419 349133950 /nfs/dbraw/zinc/13/39/50/349133950.db2.gz FSRPQBYRBSCWQS-VIFPVBQESA-N 1 2 231.292 -0.243 20 0 BBADLO COC(=O)C[N@H+](C)C[C@@H](O)CC1(O)CCC1 ZINC000599258419 349133946 /nfs/dbraw/zinc/13/39/46/349133946.db2.gz FSRPQBYRBSCWQS-VIFPVBQESA-N 1 2 231.292 -0.243 20 0 BBADLO CCOC(=O)C[C@@H](O)C[N@@H+](C)CC(=O)OC ZINC000599259910 349133303 /nfs/dbraw/zinc/13/33/03/349133303.db2.gz RKJUTTBJXDDQKK-MRVPVSSYSA-N 1 2 233.264 -0.595 20 0 BBADLO CCOC(=O)C[C@@H](O)C[N@H+](C)CC(=O)OC ZINC000599259910 349133299 /nfs/dbraw/zinc/13/32/99/349133299.db2.gz RKJUTTBJXDDQKK-MRVPVSSYSA-N 1 2 233.264 -0.595 20 0 BBADLO CCOC(=O)C[C@H](O)C[N@@H+](C)CC(=O)OC ZINC000599259911 349133869 /nfs/dbraw/zinc/13/38/69/349133869.db2.gz RKJUTTBJXDDQKK-QMMMGPOBSA-N 1 2 233.264 -0.595 20 0 BBADLO CCOC(=O)C[C@H](O)C[N@H+](C)CC(=O)OC ZINC000599259911 349133866 /nfs/dbraw/zinc/13/38/66/349133866.db2.gz RKJUTTBJXDDQKK-QMMMGPOBSA-N 1 2 233.264 -0.595 20 0 BBADLO CCOC(=O)C[C@@H](O)C[N@@H+](C)CC(=O)OCC ZINC000599276570 349138918 /nfs/dbraw/zinc/13/89/18/349138918.db2.gz ATTOHOKZMMAWGF-SECBINFHSA-N 1 2 247.291 -0.205 20 0 BBADLO CCOC(=O)C[C@@H](O)C[N@H+](C)CC(=O)OCC ZINC000599276570 349138914 /nfs/dbraw/zinc/13/89/14/349138914.db2.gz ATTOHOKZMMAWGF-SECBINFHSA-N 1 2 247.291 -0.205 20 0 BBADLO CCOC(=O)C[C@H](O)C[N@@H+](C)CC(=O)OCC ZINC000599276571 349138652 /nfs/dbraw/zinc/13/86/52/349138652.db2.gz ATTOHOKZMMAWGF-VIFPVBQESA-N 1 2 247.291 -0.205 20 0 BBADLO CCOC(=O)C[C@H](O)C[N@H+](C)CC(=O)OCC ZINC000599276571 349138650 /nfs/dbraw/zinc/13/86/50/349138650.db2.gz ATTOHOKZMMAWGF-VIFPVBQESA-N 1 2 247.291 -0.205 20 0 BBADLO COC(=O)[C@@H]1CCC[N@H+]1CCc1cn(C)nn1 ZINC000599284505 349147287 /nfs/dbraw/zinc/14/72/87/349147287.db2.gz BFZJVBMHDUODBS-JTQLQIEISA-N 1 2 238.291 -0.005 20 0 BBADLO COC(=O)[C@@H]1CCC[N@@H+]1CCc1cn(C)nn1 ZINC000599284505 349147284 /nfs/dbraw/zinc/14/72/84/349147284.db2.gz BFZJVBMHDUODBS-JTQLQIEISA-N 1 2 238.291 -0.005 20 0 BBADLO COC(=O)[C@H]1CCC[N@H+]1CCc1cn(C)nn1 ZINC000599284506 349147493 /nfs/dbraw/zinc/14/74/93/349147493.db2.gz BFZJVBMHDUODBS-SNVBAGLBSA-N 1 2 238.291 -0.005 20 0 BBADLO COC(=O)[C@H]1CCC[N@@H+]1CCc1cn(C)nn1 ZINC000599284506 349147490 /nfs/dbraw/zinc/14/74/90/349147490.db2.gz BFZJVBMHDUODBS-SNVBAGLBSA-N 1 2 238.291 -0.005 20 0 BBADLO COC(=O)C[N@@H+](CCc1cn(C)nn1)C1CC1 ZINC000599307774 349142973 /nfs/dbraw/zinc/14/29/73/349142973.db2.gz ZGBHSRYTNKAELR-UHFFFAOYSA-N 1 2 238.291 -0.005 20 0 BBADLO COC(=O)C[N@H+](CCc1cn(C)nn1)C1CC1 ZINC000599307774 349142970 /nfs/dbraw/zinc/14/29/70/349142970.db2.gz ZGBHSRYTNKAELR-UHFFFAOYSA-N 1 2 238.291 -0.005 20 0 BBADLO CCOC(=O)C[C@H](O)C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000599379150 349163190 /nfs/dbraw/zinc/16/31/90/349163190.db2.gz FOLSYVGJIWRDJO-GUBZILKMSA-N 1 2 249.282 -0.295 20 0 BBADLO CCOC(=O)C[C@H](O)C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000599379150 349163188 /nfs/dbraw/zinc/16/31/88/349163188.db2.gz FOLSYVGJIWRDJO-GUBZILKMSA-N 1 2 249.282 -0.295 20 0 BBADLO CCOC(=O)C[C@H](O)C[N@H+]1C[C@H](F)C[C@H]1CO ZINC000599379151 349163205 /nfs/dbraw/zinc/16/32/05/349163205.db2.gz FOLSYVGJIWRDJO-UTLUCORTSA-N 1 2 249.282 -0.295 20 0 BBADLO CCOC(=O)C[C@H](O)C[N@@H+]1C[C@H](F)C[C@H]1CO ZINC000599379151 349163204 /nfs/dbraw/zinc/16/32/04/349163204.db2.gz FOLSYVGJIWRDJO-UTLUCORTSA-N 1 2 249.282 -0.295 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+](C)CCc1cn(C)nn1 ZINC000599390784 349169349 /nfs/dbraw/zinc/16/93/49/349169349.db2.gz QDDFRSXNSWTURE-MRVPVSSYSA-N 1 2 226.280 -0.149 20 0 BBADLO COC(=O)[C@@H](C)[N@H+](C)CCc1cn(C)nn1 ZINC000599390784 349169346 /nfs/dbraw/zinc/16/93/46/349169346.db2.gz QDDFRSXNSWTURE-MRVPVSSYSA-N 1 2 226.280 -0.149 20 0 BBADLO CCOC(=O)C[C@H](O)C[N@@H+](C)[C@H](C)C(=O)OC ZINC000599390837 349169525 /nfs/dbraw/zinc/16/95/25/349169525.db2.gz RIECPIZLCAZQCM-BDAKNGLRSA-N 1 2 247.291 -0.206 20 0 BBADLO CCOC(=O)C[C@H](O)C[N@H+](C)[C@H](C)C(=O)OC ZINC000599390837 349169524 /nfs/dbraw/zinc/16/95/24/349169524.db2.gz RIECPIZLCAZQCM-BDAKNGLRSA-N 1 2 247.291 -0.206 20 0 BBADLO CCOC(=O)C[C@@H](O)C[N@@H+](C)[C@H](C)C(=O)OC ZINC000599390838 349169530 /nfs/dbraw/zinc/16/95/30/349169530.db2.gz RIECPIZLCAZQCM-RKDXNWHRSA-N 1 2 247.291 -0.206 20 0 BBADLO CCOC(=O)C[C@@H](O)C[N@H+](C)[C@H](C)C(=O)OC ZINC000599390838 349169529 /nfs/dbraw/zinc/16/95/29/349169529.db2.gz RIECPIZLCAZQCM-RKDXNWHRSA-N 1 2 247.291 -0.206 20 0 BBADLO CCOC(=O)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)OC ZINC000599394117 349170315 /nfs/dbraw/zinc/17/03/15/349170315.db2.gz RIECPIZLCAZQCM-DTWKUNHWSA-N 1 2 247.291 -0.206 20 0 BBADLO CCOC(=O)C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)OC ZINC000599394117 349170314 /nfs/dbraw/zinc/17/03/14/349170314.db2.gz RIECPIZLCAZQCM-DTWKUNHWSA-N 1 2 247.291 -0.206 20 0 BBADLO CCOC(=O)C[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)OC ZINC000599394118 349170294 /nfs/dbraw/zinc/17/02/94/349170294.db2.gz RIECPIZLCAZQCM-IUCAKERBSA-N 1 2 247.291 -0.206 20 0 BBADLO CCOC(=O)C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)OC ZINC000599394118 349170293 /nfs/dbraw/zinc/17/02/93/349170293.db2.gz RIECPIZLCAZQCM-IUCAKERBSA-N 1 2 247.291 -0.206 20 0 BBADLO CCOC(=O)C[C@H](O)C[N@H+]1CC[C@](F)(CO)C1 ZINC000599404342 349172698 /nfs/dbraw/zinc/17/26/98/349172698.db2.gz SLQAALKWHRFZDT-GXSJLCMTSA-N 1 2 249.282 -0.293 20 0 BBADLO CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@](F)(CO)C1 ZINC000599404342 349172693 /nfs/dbraw/zinc/17/26/93/349172693.db2.gz SLQAALKWHRFZDT-GXSJLCMTSA-N 1 2 249.282 -0.293 20 0 BBADLO CCOC(=O)C[C@@H](O)C[N@H+]1CC[C@@](F)(CO)C1 ZINC000599404343 349172379 /nfs/dbraw/zinc/17/23/79/349172379.db2.gz SLQAALKWHRFZDT-KOLCDFICSA-N 1 2 249.282 -0.293 20 0 BBADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000599404343 349172378 /nfs/dbraw/zinc/17/23/78/349172378.db2.gz SLQAALKWHRFZDT-KOLCDFICSA-N 1 2 249.282 -0.293 20 0 BBADLO CCOC(=O)C[C@@H](O)C[N@H+]1CC[C@](F)(CO)C1 ZINC000599404344 349172477 /nfs/dbraw/zinc/17/24/77/349172477.db2.gz SLQAALKWHRFZDT-MWLCHTKSSA-N 1 2 249.282 -0.293 20 0 BBADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CC[C@](F)(CO)C1 ZINC000599404344 349172474 /nfs/dbraw/zinc/17/24/74/349172474.db2.gz SLQAALKWHRFZDT-MWLCHTKSSA-N 1 2 249.282 -0.293 20 0 BBADLO CCOC(=O)C[C@H](O)C[N@H+]1CC[C@@](F)(CO)C1 ZINC000599404345 349172423 /nfs/dbraw/zinc/17/24/23/349172423.db2.gz SLQAALKWHRFZDT-ONGXEEELSA-N 1 2 249.282 -0.293 20 0 BBADLO CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000599404345 349172421 /nfs/dbraw/zinc/17/24/21/349172421.db2.gz SLQAALKWHRFZDT-ONGXEEELSA-N 1 2 249.282 -0.293 20 0 BBADLO COC(=O)[C@](C)(O)C[N@H+]1CCc2nc[nH]c2C1 ZINC000599421918 349183806 /nfs/dbraw/zinc/18/38/06/349183806.db2.gz JDHMFXTVUYPMAA-LLVKDONJSA-N 1 2 239.275 -0.308 20 0 BBADLO COC(=O)[C@](C)(O)C[N@@H+]1CCc2nc[nH]c2C1 ZINC000599421918 349183804 /nfs/dbraw/zinc/18/38/04/349183804.db2.gz JDHMFXTVUYPMAA-LLVKDONJSA-N 1 2 239.275 -0.308 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@H+]1CCc2nc[nH]c2C1 ZINC000599421919 349183259 /nfs/dbraw/zinc/18/32/59/349183259.db2.gz JDHMFXTVUYPMAA-NSHDSACASA-N 1 2 239.275 -0.308 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@@H+]1CCc2nc[nH]c2C1 ZINC000599421919 349183255 /nfs/dbraw/zinc/18/32/55/349183255.db2.gz JDHMFXTVUYPMAA-NSHDSACASA-N 1 2 239.275 -0.308 20 0 BBADLO COC(=O)CCCC[NH2+][C@](C)(CO)C(=O)OC ZINC000599437352 349176565 /nfs/dbraw/zinc/17/65/65/349176565.db2.gz OTBLRJHIAZYBHC-LLVKDONJSA-N 1 2 247.291 -0.157 20 0 BBADLO COC(=O)CCCC[NH2+][C@@](C)(CO)C(=O)OC ZINC000599437353 349177237 /nfs/dbraw/zinc/17/72/37/349177237.db2.gz OTBLRJHIAZYBHC-NSHDSACASA-N 1 2 247.291 -0.157 20 0 BBADLO COC(=O)C[N@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599558547 349216779 /nfs/dbraw/zinc/21/67/79/349216779.db2.gz KWIIOXRYSWQXEK-JTQLQIEISA-N 1 2 231.248 -0.577 20 0 BBADLO COC(=O)C[N@@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599558547 349216778 /nfs/dbraw/zinc/21/67/78/349216778.db2.gz KWIIOXRYSWQXEK-JTQLQIEISA-N 1 2 231.248 -0.577 20 0 BBADLO COC(=O)C[N@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599558548 349216701 /nfs/dbraw/zinc/21/67/01/349216701.db2.gz KWIIOXRYSWQXEK-SNVBAGLBSA-N 1 2 231.248 -0.577 20 0 BBADLO COC(=O)C[N@@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599558548 349216698 /nfs/dbraw/zinc/21/66/98/349216698.db2.gz KWIIOXRYSWQXEK-SNVBAGLBSA-N 1 2 231.248 -0.577 20 0 BBADLO CCOC(=O)C[N@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599559966 349217750 /nfs/dbraw/zinc/21/77/50/349217750.db2.gz ZJEJVKUPVNVBSE-LLVKDONJSA-N 1 2 245.275 -0.187 20 0 BBADLO CCOC(=O)C[N@@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599559966 349217747 /nfs/dbraw/zinc/21/77/47/349217747.db2.gz ZJEJVKUPVNVBSE-LLVKDONJSA-N 1 2 245.275 -0.187 20 0 BBADLO CCOC(=O)C[N@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599559967 349217911 /nfs/dbraw/zinc/21/79/11/349217911.db2.gz ZJEJVKUPVNVBSE-NSHDSACASA-N 1 2 245.275 -0.187 20 0 BBADLO CCOC(=O)C[N@@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599559967 349217909 /nfs/dbraw/zinc/21/79/09/349217909.db2.gz ZJEJVKUPVNVBSE-NSHDSACASA-N 1 2 245.275 -0.187 20 0 BBADLO COC(=O)[C@H](C)[N@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599564193 349218897 /nfs/dbraw/zinc/21/88/97/349218897.db2.gz QGZOBACJZKNZKR-GZMMTYOYSA-N 1 2 245.275 -0.188 20 0 BBADLO COC(=O)[C@H](C)[N@@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599564193 349218894 /nfs/dbraw/zinc/21/88/94/349218894.db2.gz QGZOBACJZKNZKR-GZMMTYOYSA-N 1 2 245.275 -0.188 20 0 BBADLO 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/nfs/dbraw/zinc/33/62/57/344336257.db2.gz FBZXEKSDAAMQEI-BWZBUEFSSA-N 1 2 214.265 -0.209 20 0 BBADLO CC[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)C(=O)OC ZINC000600611361 344336244 /nfs/dbraw/zinc/33/62/44/344336244.db2.gz FBZXEKSDAAMQEI-FXQIFTODSA-N 1 2 214.265 -0.209 20 0 BBADLO COC(=O)[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)C1CC1 ZINC000600611440 344336105 /nfs/dbraw/zinc/33/61/05/344336105.db2.gz GSYUEYLQDFDESN-CIUDSAMLSA-N 1 2 226.276 -0.209 20 0 BBADLO COC(=O)[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)C1CC1 ZINC000600611442 344336041 /nfs/dbraw/zinc/33/60/41/344336041.db2.gz GSYUEYLQDFDESN-IWSPIJDZSA-N 1 2 226.276 -0.209 20 0 BBADLO CC[C@@H]([NH2+]CCOCC(=O)OC)C(=O)OC ZINC000600613337 344336474 /nfs/dbraw/zinc/33/64/74/344336474.db2.gz IRDJWYSSKCMGPF-MRVPVSSYSA-N 1 2 233.264 -0.283 20 0 BBADLO CC[C@H]([NH2+]CCOCC(=O)OC)C(=O)OC ZINC000600613338 344336520 /nfs/dbraw/zinc/33/65/20/344336520.db2.gz IRDJWYSSKCMGPF-QMMMGPOBSA-N 1 2 233.264 -0.283 20 0 BBADLO COC(=O)COCC[NH2+][C@H](C(=O)OC)C1CC1 ZINC000600614717 344336993 /nfs/dbraw/zinc/33/69/93/344336993.db2.gz VMZYZXWECCBGRL-JTQLQIEISA-N 1 2 245.275 -0.283 20 0 BBADLO COC(=O)COCC[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000600614718 344337067 /nfs/dbraw/zinc/33/70/67/344337067.db2.gz VMZYZXWECCBGRL-SNVBAGLBSA-N 1 2 245.275 -0.283 20 0 BBADLO O=C(C[N@H+](CCO)CCCO)Nc1ccon1 ZINC000600656008 412312145 /nfs/dbraw/zinc/31/21/45/412312145.db2.gz QDARHFCMBYMMEL-UHFFFAOYSA-N 1 2 243.263 -0.710 20 0 BBADLO O=C(C[N@@H+](CCO)CCCO)Nc1ccon1 ZINC000600656008 412312143 /nfs/dbraw/zinc/31/21/43/412312143.db2.gz QDARHFCMBYMMEL-UHFFFAOYSA-N 1 2 243.263 -0.710 20 0 BBADLO NC(=O)C1(C(=O)NCCNc2cccc[nH+]2)CC1 ZINC000600938974 344399076 /nfs/dbraw/zinc/39/90/76/344399076.db2.gz ZRRBLLQIHUXFFB-UHFFFAOYSA-N 1 2 248.286 -0.125 20 0 BBADLO C[N@H+]1CCCC[C@@H]1C(=O)NCc1nnc[nH]1 ZINC000600964093 345035446 /nfs/dbraw/zinc/03/54/46/345035446.db2.gz ULKZRZHCBUHYSC-MRVPVSSYSA-N 1 2 223.280 -0.095 20 0 BBADLO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1nnc[nH]1 ZINC000600964093 345035443 /nfs/dbraw/zinc/03/54/43/345035443.db2.gz ULKZRZHCBUHYSC-MRVPVSSYSA-N 1 2 223.280 -0.095 20 0 BBADLO C[N@H+]1CCCC[C@@H]1C(=O)NCc1nc[nH]n1 ZINC000600964093 345035441 /nfs/dbraw/zinc/03/54/41/345035441.db2.gz ULKZRZHCBUHYSC-MRVPVSSYSA-N 1 2 223.280 -0.095 20 0 BBADLO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1nc[nH]n1 ZINC000600964093 345035439 /nfs/dbraw/zinc/03/54/39/345035439.db2.gz ULKZRZHCBUHYSC-MRVPVSSYSA-N 1 2 223.280 -0.095 20 0 BBADLO C[N@H+]1CCCC[C@H]1C(=O)NCc1nnc[nH]1 ZINC000600964094 345035565 /nfs/dbraw/zinc/03/55/65/345035565.db2.gz ULKZRZHCBUHYSC-QMMMGPOBSA-N 1 2 223.280 -0.095 20 0 BBADLO C[N@@H+]1CCCC[C@H]1C(=O)NCc1nnc[nH]1 ZINC000600964094 345035561 /nfs/dbraw/zinc/03/55/61/345035561.db2.gz ULKZRZHCBUHYSC-QMMMGPOBSA-N 1 2 223.280 -0.095 20 0 BBADLO C[N@H+]1CCCC[C@H]1C(=O)NCc1nc[nH]n1 ZINC000600964094 345035558 /nfs/dbraw/zinc/03/55/58/345035558.db2.gz ULKZRZHCBUHYSC-QMMMGPOBSA-N 1 2 223.280 -0.095 20 0 BBADLO C[N@@H+]1CCCC[C@H]1C(=O)NCc1nc[nH]n1 ZINC000600964094 345035556 /nfs/dbraw/zinc/03/55/56/345035556.db2.gz ULKZRZHCBUHYSC-QMMMGPOBSA-N 1 2 223.280 -0.095 20 0 BBADLO COC(=O)[C@H]([NH3+])Cc1cn(-c2ccccn2)nn1 ZINC000600970814 345508230 /nfs/dbraw/zinc/50/82/30/345508230.db2.gz CQHLHBMEGGFBGB-SECBINFHSA-N 1 2 247.258 -0.295 20 0 BBADLO COC(=O)[C@@H]([NH3+])Cc1cn(-c2ccccn2)nn1 ZINC000600970815 345508282 /nfs/dbraw/zinc/50/82/82/345508282.db2.gz CQHLHBMEGGFBGB-VIFPVBQESA-N 1 2 247.258 -0.295 20 0 BBADLO COC(=O)[C@@H](C)n1cc(C[N@@H+](C)CCO)nn1 ZINC000600979129 345635304 /nfs/dbraw/zinc/63/53/04/345635304.db2.gz GVICNJBWRPXVRS-MRVPVSSYSA-N 1 2 242.279 -0.564 20 0 BBADLO COC(=O)[C@@H](C)n1cc(C[N@H+](C)CCO)nn1 ZINC000600979129 345635303 /nfs/dbraw/zinc/63/53/03/345635303.db2.gz GVICNJBWRPXVRS-MRVPVSSYSA-N 1 2 242.279 -0.564 20 0 BBADLO COC(=O)[C@H](C)n1cc(C[N@@H+](C)CCO)nn1 ZINC000600979130 345635328 /nfs/dbraw/zinc/63/53/28/345635328.db2.gz GVICNJBWRPXVRS-QMMMGPOBSA-N 1 2 242.279 -0.564 20 0 BBADLO COC(=O)[C@H](C)n1cc(C[N@H+](C)CCO)nn1 ZINC000600979130 345635326 /nfs/dbraw/zinc/63/53/26/345635326.db2.gz GVICNJBWRPXVRS-QMMMGPOBSA-N 1 2 242.279 -0.564 20 0 BBADLO COC(=O)CNC(=O)CNc1cc[nH+]c(C)n1 ZINC000601256745 412327695 /nfs/dbraw/zinc/32/76/95/412327695.db2.gz GRPFEVVIQAVMKF-UHFFFAOYSA-N 1 2 238.247 -0.514 20 0 BBADLO COC(=O)CNC(=O)CNc1cc(C)[nH+]cn1 ZINC000601258056 412327899 /nfs/dbraw/zinc/32/78/99/412327899.db2.gz URDGMCBYMPQTFV-UHFFFAOYSA-N 1 2 238.247 -0.514 20 0 BBADLO COC[C@@H](O)CN1CCc2c([nH+]cn2C)C1 ZINC000601833801 349362937 /nfs/dbraw/zinc/36/29/37/349362937.db2.gz HYPVFWBNEPFEGY-VIFPVBQESA-N 1 2 225.292 -0.215 20 0 BBADLO COC[C@@H](O)C[N@H+]1CCc2c(ncn2C)C1 ZINC000601833801 349362935 /nfs/dbraw/zinc/36/29/35/349362935.db2.gz HYPVFWBNEPFEGY-VIFPVBQESA-N 1 2 225.292 -0.215 20 0 BBADLO COC[C@@H](O)C[N@@H+]1CCc2c(ncn2C)C1 ZINC000601833801 349362933 /nfs/dbraw/zinc/36/29/33/349362933.db2.gz HYPVFWBNEPFEGY-VIFPVBQESA-N 1 2 225.292 -0.215 20 0 BBADLO COC(=O)Cc1cc(=O)n(CC[NH+](C)C)[nH]1 ZINC000601932728 349385980 /nfs/dbraw/zinc/38/59/80/349385980.db2.gz MADZTYXRAIQGFJ-UHFFFAOYSA-N 1 2 227.264 -0.301 20 0 BBADLO CCc1c[nH]c(CC(=O)NCC(=O)OC)[nH+]1 ZINC000602030792 349421514 /nfs/dbraw/zinc/42/15/14/349421514.db2.gz ORELZWZHBAAJAO-UHFFFAOYSA-N 1 2 225.248 -0.196 20 0 BBADLO COC(=O)CN1CC[NH+](Cc2ccno2)CC1 ZINC000602150043 349454062 /nfs/dbraw/zinc/45/40/62/349454062.db2.gz GDNFBNNYALJCGS-UHFFFAOYSA-N 1 2 239.275 -0.035 20 0 BBADLO CSCCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000602435986 349523301 /nfs/dbraw/zinc/52/33/01/349523301.db2.gz MRBOHSTWAKPSTF-MRVPVSSYSA-N 1 2 245.348 -0.714 20 0 BBADLO CSCCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000602435988 349523155 /nfs/dbraw/zinc/52/31/55/349523155.db2.gz MRBOHSTWAKPSTF-QMMMGPOBSA-N 1 2 245.348 -0.714 20 0 BBADLO COC(=O)C[N@@H+](C)C[C@@]1(OC)CCOC1 ZINC000602444184 349545657 /nfs/dbraw/zinc/54/56/57/349545657.db2.gz YJTXYHVPTZHWJK-JTQLQIEISA-N 1 2 217.265 -0.103 20 0 BBADLO COC(=O)C[N@H+](C)C[C@@]1(OC)CCOC1 ZINC000602444184 349545654 /nfs/dbraw/zinc/54/56/54/349545654.db2.gz YJTXYHVPTZHWJK-JTQLQIEISA-N 1 2 217.265 -0.103 20 0 BBADLO COC(=O)C[N@@H+](C)C[C@]1(OC)CCOC1 ZINC000602444185 349544960 /nfs/dbraw/zinc/54/49/60/349544960.db2.gz YJTXYHVPTZHWJK-SNVBAGLBSA-N 1 2 217.265 -0.103 20 0 BBADLO COC(=O)C[N@H+](C)C[C@]1(OC)CCOC1 ZINC000602444185 349544957 /nfs/dbraw/zinc/54/49/57/349544957.db2.gz YJTXYHVPTZHWJK-SNVBAGLBSA-N 1 2 217.265 -0.103 20 0 BBADLO CO[C@]1(C[NH+]2CCS(=O)CC2)CCOC1 ZINC000602465400 349538800 /nfs/dbraw/zinc/53/88/00/349538800.db2.gz QOXXYCKGKOJSHZ-JTQLQIEISA-N 1 2 233.333 -0.144 20 0 BBADLO CO[C@@]1(C[NH+]2CCS(=O)CC2)CCOC1 ZINC000602465417 349539168 /nfs/dbraw/zinc/53/91/68/349539168.db2.gz QOXXYCKGKOJSHZ-SNVBAGLBSA-N 1 2 233.333 -0.144 20 0 BBADLO COC(=O)c1cc(C[NH2+]CC(=O)N(C)C)on1 ZINC000602593992 349616139 /nfs/dbraw/zinc/61/61/39/349616139.db2.gz NOPXHVVIJQRWLV-UHFFFAOYSA-N 1 2 241.247 -0.361 20 0 BBADLO COC(=O)[C@H](C)[NH2+][C@H](C)Cn1cncn1 ZINC000602633884 349649715 /nfs/dbraw/zinc/64/97/15/349649715.db2.gz JWRYLZHVMCFNHP-SFYZADRCSA-N 1 2 212.253 -0.182 20 0 BBADLO COC(=O)[C@H](C)[NH2+][C@@H](C)Cn1cncn1 ZINC000602633885 349649878 /nfs/dbraw/zinc/64/98/78/349649878.db2.gz JWRYLZHVMCFNHP-YUMQZZPRSA-N 1 2 212.253 -0.182 20 0 BBADLO COC(=O)[C@@H](C)[NH2+][C@H](C)Cn1cncn1 ZINC000602644050 349656148 /nfs/dbraw/zinc/65/61/48/349656148.db2.gz JWRYLZHVMCFNHP-HTQZYQBOSA-N 1 2 212.253 -0.182 20 0 BBADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)Cn1cncn1 ZINC000602644052 349655997 /nfs/dbraw/zinc/65/59/97/349655997.db2.gz JWRYLZHVMCFNHP-JGVFFNPUSA-N 1 2 212.253 -0.182 20 0 BBADLO COC(=O)c1cc(C[NH+](CCO)CCO)on1 ZINC000602715432 349706340 /nfs/dbraw/zinc/70/63/40/349706340.db2.gz MWCYHJLOSWTAKB-UHFFFAOYSA-N 1 2 244.247 -0.752 20 0 BBADLO COC(=O)Cn1cc(C[NH2+]C2(C)COC2)nn1 ZINC000602738672 349709087 /nfs/dbraw/zinc/70/90/87/349709087.db2.gz HWQXLHOXKDQQAK-UHFFFAOYSA-N 1 2 240.263 -0.670 20 0 BBADLO COC(=O)CNC(=O)C[NH2+]Cc1n[nH]cc1C ZINC000602747203 349710693 /nfs/dbraw/zinc/71/06/93/349710693.db2.gz HJIXGXDWOFOLRY-UHFFFAOYSA-N 1 2 240.263 -0.903 20 0 BBADLO COC(=O)CNC(=O)C[NH2+]Cc1[nH]ncc1C ZINC000602747203 349710690 /nfs/dbraw/zinc/71/06/90/349710690.db2.gz HJIXGXDWOFOLRY-UHFFFAOYSA-N 1 2 240.263 -0.903 20 0 BBADLO COC(=O)CNC(=O)C[NH2+]Cc1cc(C)no1 ZINC000602747216 349710832 /nfs/dbraw/zinc/71/08/32/349710832.db2.gz AMQYITSBGUDIKP-UHFFFAOYSA-N 1 2 241.247 -0.638 20 0 BBADLO COC(=O)CNC(=O)C[NH2+]Cc1nccs1 ZINC000602747303 349710734 /nfs/dbraw/zinc/71/07/34/349710734.db2.gz IJGKHZCDTPDLEX-UHFFFAOYSA-N 1 2 243.288 -0.478 20 0 BBADLO COC(=O)CNC(=O)C[NH2+]Cc1cscn1 ZINC000602747371 349710726 /nfs/dbraw/zinc/71/07/26/349710726.db2.gz JKWCQYUUKKZGCA-UHFFFAOYSA-N 1 2 243.288 -0.478 20 0 BBADLO COC(=O)CNC(=O)C[NH2+]Cc1nc(C)c[nH]1 ZINC000602749105 349713477 /nfs/dbraw/zinc/71/34/77/349713477.db2.gz JUQIUDFAAMIEIC-UHFFFAOYSA-N 1 2 240.263 -0.903 20 0 BBADLO COC(=O)C[NH+]1CCC2(CC1)NC(=O)CN2C ZINC000602758488 349731985 /nfs/dbraw/zinc/73/19/85/349731985.db2.gz LYCUZEQPOZYVBR-UHFFFAOYSA-N 1 2 241.291 -0.987 20 0 BBADLO CCN(C#N)CC[NH+]1CCN(C(C)=O)CC1 ZINC000602759851 349732068 /nfs/dbraw/zinc/73/20/68/349732068.db2.gz MNGZSESLUVQNQZ-UHFFFAOYSA-N 1 2 224.308 -0.047 20 0 BBADLO COC(=O)C[N@@H+](C)C[C@H]1CCc2ncnn21 ZINC000602764395 349734808 /nfs/dbraw/zinc/73/48/08/349734808.db2.gz BDYFGCULPHZORS-MRVPVSSYSA-N 1 2 224.264 -0.130 20 0 BBADLO COC(=O)C[N@H+](C)C[C@H]1CCc2ncnn21 ZINC000602764395 349734806 /nfs/dbraw/zinc/73/48/06/349734806.db2.gz BDYFGCULPHZORS-MRVPVSSYSA-N 1 2 224.264 -0.130 20 0 BBADLO COC(=O)C[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC000602764396 349734750 /nfs/dbraw/zinc/73/47/50/349734750.db2.gz BDYFGCULPHZORS-QMMMGPOBSA-N 1 2 224.264 -0.130 20 0 BBADLO COC(=O)C[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC000602764396 349734748 /nfs/dbraw/zinc/73/47/48/349734748.db2.gz BDYFGCULPHZORS-QMMMGPOBSA-N 1 2 224.264 -0.130 20 0 BBADLO CCN(C#N)CC[N@@H+](CC(N)=O)C(C)C ZINC000602764459 349734518 /nfs/dbraw/zinc/73/45/18/349734518.db2.gz CMAHNOCSDSJTTR-UHFFFAOYSA-N 1 2 212.297 -0.015 20 0 BBADLO CCN(C#N)CC[N@H+](CC(N)=O)C(C)C ZINC000602764459 349734516 /nfs/dbraw/zinc/73/45/16/349734516.db2.gz CMAHNOCSDSJTTR-UHFFFAOYSA-N 1 2 212.297 -0.015 20 0 BBADLO CCNC(=O)C[N@@H+](C)CCN(C#N)CC ZINC000602765361 349722118 /nfs/dbraw/zinc/72/21/18/349722118.db2.gz JWEJDQPTIGFOLT-UHFFFAOYSA-N 1 2 212.297 -0.143 20 0 BBADLO CCNC(=O)C[N@H+](C)CCN(C#N)CC ZINC000602765361 349722116 /nfs/dbraw/zinc/72/21/16/349722116.db2.gz JWEJDQPTIGFOLT-UHFFFAOYSA-N 1 2 212.297 -0.143 20 0 BBADLO CCN(C#N)CC[N@@H+](C)CC(=O)NC1CC1 ZINC000602765650 349722112 /nfs/dbraw/zinc/72/21/12/349722112.db2.gz DRNCFFWSURFJQK-UHFFFAOYSA-N 1 2 224.308 0.000 20 0 BBADLO CCN(C#N)CC[N@H+](C)CC(=O)NC1CC1 ZINC000602765650 349722110 /nfs/dbraw/zinc/72/21/10/349722110.db2.gz DRNCFFWSURFJQK-UHFFFAOYSA-N 1 2 224.308 0.000 20 0 BBADLO CCN(C#N)CC[N@@H+](C)CC(=O)N(C)C ZINC000602769486 349724248 /nfs/dbraw/zinc/72/42/48/349724248.db2.gz XRBRTOZKZIWVAF-UHFFFAOYSA-N 1 2 212.297 -0.191 20 0 BBADLO CCN(C#N)CC[N@H+](C)CC(=O)N(C)C ZINC000602769486 349724245 /nfs/dbraw/zinc/72/42/45/349724245.db2.gz XRBRTOZKZIWVAF-UHFFFAOYSA-N 1 2 212.297 -0.191 20 0 BBADLO CCN(C#N)CC[N@H+]1CCNC(=O)CC1 ZINC000602771861 349726156 /nfs/dbraw/zinc/72/61/56/349726156.db2.gz HMKCYMLYZGLMGW-UHFFFAOYSA-N 1 2 210.281 -0.389 20 0 BBADLO CCN(C#N)CC[N@@H+]1CCNC(=O)CC1 ZINC000602771861 349726154 /nfs/dbraw/zinc/72/61/54/349726154.db2.gz HMKCYMLYZGLMGW-UHFFFAOYSA-N 1 2 210.281 -0.389 20 0 BBADLO CCN(C#N)CC[N@@H+](CCOC)[C@@H](C)C(N)=O ZINC000602776581 349729100 /nfs/dbraw/zinc/72/91/00/349729100.db2.gz UXJYIQVNGHIESF-JTQLQIEISA-N 1 2 242.323 -0.388 20 0 BBADLO CCN(C#N)CC[N@H+](CCOC)[C@@H](C)C(N)=O ZINC000602776581 349729096 /nfs/dbraw/zinc/72/90/96/349729096.db2.gz UXJYIQVNGHIESF-JTQLQIEISA-N 1 2 242.323 -0.388 20 0 BBADLO CCN(C#N)CC[N@@H+](CCOC)[C@H](C)C(N)=O ZINC000602776588 349729532 /nfs/dbraw/zinc/72/95/32/349729532.db2.gz UXJYIQVNGHIESF-SNVBAGLBSA-N 1 2 242.323 -0.388 20 0 BBADLO CCN(C#N)CC[N@H+](CCOC)[C@H](C)C(N)=O ZINC000602776588 349729529 /nfs/dbraw/zinc/72/95/29/349729529.db2.gz UXJYIQVNGHIESF-SNVBAGLBSA-N 1 2 242.323 -0.388 20 0 BBADLO CCN(C#N)CC[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000602777296 349743566 /nfs/dbraw/zinc/74/35/66/349743566.db2.gz DDCAIKLLKJQFIA-JTQLQIEISA-N 1 2 237.307 -0.501 20 0 BBADLO CCN(C#N)CC[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000602777296 349743563 /nfs/dbraw/zinc/74/35/63/349743563.db2.gz DDCAIKLLKJQFIA-JTQLQIEISA-N 1 2 237.307 -0.501 20 0 BBADLO CCN(C#N)CC[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000602777297 349744014 /nfs/dbraw/zinc/74/40/14/349744014.db2.gz DDCAIKLLKJQFIA-SNVBAGLBSA-N 1 2 237.307 -0.501 20 0 BBADLO CCN(C#N)CC[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000602777297 349744011 /nfs/dbraw/zinc/74/40/11/349744011.db2.gz DDCAIKLLKJQFIA-SNVBAGLBSA-N 1 2 237.307 -0.501 20 0 BBADLO CCOC(=O)C1(O)CC[NH+](CC(C)=O)CC1 ZINC000602778950 349744626 /nfs/dbraw/zinc/74/46/26/349744626.db2.gz JOJMKETZZNGZJW-UHFFFAOYSA-N 1 2 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CCN(C#N)CC[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000602827345 349765311 /nfs/dbraw/zinc/76/53/11/349765311.db2.gz YWPWIGXSRUBNTQ-PHIMTYICSA-N 1 2 225.292 -0.111 20 0 BBADLO CCN(C#N)CC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000602827345 349765309 /nfs/dbraw/zinc/76/53/09/349765309.db2.gz YWPWIGXSRUBNTQ-PHIMTYICSA-N 1 2 225.292 -0.111 20 0 BBADLO CCN(C#N)CC[N@@H+](C)[C@@H](COC)C(N)=O ZINC000602832936 349768998 /nfs/dbraw/zinc/76/89/98/349768998.db2.gz UFPKSAKLORICRY-VIFPVBQESA-N 1 2 228.296 -0.779 20 0 BBADLO CCN(C#N)CC[N@H+](C)[C@@H](COC)C(N)=O ZINC000602832936 349768994 /nfs/dbraw/zinc/76/89/94/349768994.db2.gz UFPKSAKLORICRY-VIFPVBQESA-N 1 2 228.296 -0.779 20 0 BBADLO CCN(C#N)CC[N@@H+](C)C(C)(C)C(N)=O ZINC000602833520 349768404 /nfs/dbraw/zinc/76/84/04/349768404.db2.gz WHOFVMDXDVHIGU-UHFFFAOYSA-N 1 2 212.297 -0.015 20 0 BBADLO CCN(C#N)CC[N@H+](C)C(C)(C)C(N)=O ZINC000602833520 349768402 /nfs/dbraw/zinc/76/84/02/349768402.db2.gz WHOFVMDXDVHIGU-UHFFFAOYSA-N 1 2 212.297 -0.015 20 0 BBADLO 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ZINC000602899537 349815534 /nfs/dbraw/zinc/81/55/34/349815534.db2.gz QBGHGBUMDCBAKJ-PSASIEDQSA-N 1 2 233.264 -0.785 20 0 BBADLO COC(=O)[C@](C)(O)C[N@@H+]1CCO[C@@H](OC)C1 ZINC000602899537 349815530 /nfs/dbraw/zinc/81/55/30/349815530.db2.gz QBGHGBUMDCBAKJ-PSASIEDQSA-N 1 2 233.264 -0.785 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@H+]1CCO[C@@H](OC)C1 ZINC000602899538 349815316 /nfs/dbraw/zinc/81/53/16/349815316.db2.gz QBGHGBUMDCBAKJ-SCZZXKLOSA-N 1 2 233.264 -0.785 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@@H+]1CCO[C@@H](OC)C1 ZINC000602899538 349815313 /nfs/dbraw/zinc/81/53/13/349815313.db2.gz QBGHGBUMDCBAKJ-SCZZXKLOSA-N 1 2 233.264 -0.785 20 0 BBADLO COC(=O)[C@](C)(O)C[N@H+]1CCO[C@H](OC)C1 ZINC000602899539 349815919 /nfs/dbraw/zinc/81/59/19/349815919.db2.gz QBGHGBUMDCBAKJ-WCBMZHEXSA-N 1 2 233.264 -0.785 20 0 BBADLO COC(=O)[C@](C)(O)C[N@@H+]1CCO[C@H](OC)C1 ZINC000602899539 349815916 /nfs/dbraw/zinc/81/59/16/349815916.db2.gz QBGHGBUMDCBAKJ-WCBMZHEXSA-N 1 2 233.264 -0.785 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@H+]1CCO[C@H](OC)C1 ZINC000602899540 349815680 /nfs/dbraw/zinc/81/56/80/349815680.db2.gz QBGHGBUMDCBAKJ-WPRPVWTQSA-N 1 2 233.264 -0.785 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@@H+]1CCO[C@H](OC)C1 ZINC000602899540 349815677 /nfs/dbraw/zinc/81/56/77/349815677.db2.gz QBGHGBUMDCBAKJ-WPRPVWTQSA-N 1 2 233.264 -0.785 20 0 BBADLO CCOC(=O)C[C@H](O)C[N@H+]1CCO[C@@H](OC)C1 ZINC000602900660 349815793 /nfs/dbraw/zinc/81/57/93/349815793.db2.gz VYSRMLWOGQGRPM-GXSJLCMTSA-N 1 2 247.291 -0.395 20 0 BBADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCO[C@@H](OC)C1 ZINC000602900660 349815789 /nfs/dbraw/zinc/81/57/89/349815789.db2.gz VYSRMLWOGQGRPM-GXSJLCMTSA-N 1 2 247.291 -0.395 20 0 BBADLO CCOC(=O)C[C@@H](O)C[N@H+]1CCO[C@H](OC)C1 ZINC000602900661 349815666 /nfs/dbraw/zinc/81/56/66/349815666.db2.gz VYSRMLWOGQGRPM-KOLCDFICSA-N 1 2 247.291 -0.395 20 0 BBADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCO[C@H](OC)C1 ZINC000602900661 349815663 /nfs/dbraw/zinc/81/56/63/349815663.db2.gz VYSRMLWOGQGRPM-KOLCDFICSA-N 1 2 247.291 -0.395 20 0 BBADLO CCOC(=O)C[C@@H](O)C[N@H+]1CCO[C@@H](OC)C1 ZINC000602900663 349815901 /nfs/dbraw/zinc/81/59/01/349815901.db2.gz VYSRMLWOGQGRPM-MWLCHTKSSA-N 1 2 247.291 -0.395 20 0 BBADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCO[C@@H](OC)C1 ZINC000602900663 349815899 /nfs/dbraw/zinc/81/58/99/349815899.db2.gz VYSRMLWOGQGRPM-MWLCHTKSSA-N 1 2 247.291 -0.395 20 0 BBADLO CCOC(=O)C[C@H](O)C[N@H+]1CCO[C@H](OC)C1 ZINC000602900664 349815849 /nfs/dbraw/zinc/81/58/49/349815849.db2.gz VYSRMLWOGQGRPM-ONGXEEELSA-N 1 2 247.291 -0.395 20 0 BBADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCO[C@H](OC)C1 ZINC000602900664 349815847 /nfs/dbraw/zinc/81/58/47/349815847.db2.gz VYSRMLWOGQGRPM-ONGXEEELSA-N 1 2 247.291 -0.395 20 0 BBADLO CC(C)OC(=O)CC[N@H+]1CCN(C)C[C@@H]1CO ZINC000602903445 349817669 /nfs/dbraw/zinc/81/76/69/349817669.db2.gz HVKIMRMUZLHHMJ-LLVKDONJSA-N 1 2 244.335 -0.064 20 0 BBADLO CC(C)OC(=O)CC[N@@H+]1CCN(C)C[C@@H]1CO ZINC000602903445 349817665 /nfs/dbraw/zinc/81/76/65/349817665.db2.gz HVKIMRMUZLHHMJ-LLVKDONJSA-N 1 2 244.335 -0.064 20 0 BBADLO CC(C)OC(=O)CC[N@H+]1CCN(C)C[C@H]1CO ZINC000602903446 349817248 /nfs/dbraw/zinc/81/72/48/349817248.db2.gz HVKIMRMUZLHHMJ-NSHDSACASA-N 1 2 244.335 -0.064 20 0 BBADLO CC(C)OC(=O)CC[N@@H+]1CCN(C)C[C@H]1CO ZINC000602903446 349817247 /nfs/dbraw/zinc/81/72/47/349817247.db2.gz HVKIMRMUZLHHMJ-NSHDSACASA-N 1 2 244.335 -0.064 20 0 BBADLO CCN(C#N)CC[N@H+]1CCC[C@H]1C(N)=O ZINC000602915129 488002121 /nfs/dbraw/zinc/00/21/21/488002121.db2.gz JOKZPQXARLOFCP-VIFPVBQESA-N 1 2 210.281 -0.261 20 0 BBADLO CCN(C#N)CC[N@@H+]1CCC[C@H]1C(N)=O ZINC000602915129 488002116 /nfs/dbraw/zinc/00/21/16/488002116.db2.gz JOKZPQXARLOFCP-VIFPVBQESA-N 1 2 210.281 -0.261 20 0 BBADLO CCN(C#N)CC[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000602915384 349808501 /nfs/dbraw/zinc/80/85/01/349808501.db2.gz CLBYKQKELPGPTN-JTQLQIEISA-N 1 2 240.307 -0.634 20 0 BBADLO CCN(C#N)CC[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000602915384 349808496 /nfs/dbraw/zinc/80/84/96/349808496.db2.gz CLBYKQKELPGPTN-JTQLQIEISA-N 1 2 240.307 -0.634 20 0 BBADLO CCN(C#N)CC[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000602915385 349808529 /nfs/dbraw/zinc/80/85/29/349808529.db2.gz CLBYKQKELPGPTN-SNVBAGLBSA-N 1 2 240.307 -0.634 20 0 BBADLO CCN(C#N)CC[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000602915385 349808526 /nfs/dbraw/zinc/80/85/26/349808526.db2.gz CLBYKQKELPGPTN-SNVBAGLBSA-N 1 2 240.307 -0.634 20 0 BBADLO COC(=O)[C@]1(OC)CC[N@@H+](CC(C)=O)C1 ZINC000602916675 488002965 /nfs/dbraw/zinc/00/29/65/488002965.db2.gz PWWOCLUWDVWJOP-JTQLQIEISA-N 1 2 215.249 -0.161 20 0 BBADLO COC(=O)[C@]1(OC)CC[N@H+](CC(C)=O)C1 ZINC000602916675 488002959 /nfs/dbraw/zinc/00/29/59/488002959.db2.gz PWWOCLUWDVWJOP-JTQLQIEISA-N 1 2 215.249 -0.161 20 0 BBADLO COC(=O)[C@@]1(OC)CC[N@@H+](CC(C)=O)C1 ZINC000602916676 488002436 /nfs/dbraw/zinc/00/24/36/488002436.db2.gz PWWOCLUWDVWJOP-SNVBAGLBSA-N 1 2 215.249 -0.161 20 0 BBADLO COC(=O)[C@@]1(OC)CC[N@H+](CC(C)=O)C1 ZINC000602916676 488002432 /nfs/dbraw/zinc/00/24/32/488002432.db2.gz PWWOCLUWDVWJOP-SNVBAGLBSA-N 1 2 215.249 -0.161 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+](C)Cc1c[nH]nc1C ZINC000602938354 349824617 /nfs/dbraw/zinc/82/46/17/349824617.db2.gz PHJWQNHDOGMQCZ-UHFFFAOYSA-N 1 2 239.279 -0.394 20 0 BBADLO CNC(=O)NC(=O)C[N@H+](C)Cc1c[nH]nc1C ZINC000602938354 349824616 /nfs/dbraw/zinc/82/46/16/349824616.db2.gz PHJWQNHDOGMQCZ-UHFFFAOYSA-N 1 2 239.279 -0.394 20 0 BBADLO CNC(=O)C[N@H+]1C2CCC1(C(=O)OC)CC2 ZINC000602984542 349836323 /nfs/dbraw/zinc/83/63/23/349836323.db2.gz QMWFUWAQSXRIRQ-UHFFFAOYSA-N 1 2 226.276 -0.098 20 0 BBADLO CNC(=O)C[N@@H+]1C2CCC1(C(=O)OC)CC2 ZINC000602984542 349836321 /nfs/dbraw/zinc/83/63/21/349836321.db2.gz QMWFUWAQSXRIRQ-UHFFFAOYSA-N 1 2 226.276 -0.098 20 0 BBADLO COC(=O)C12CCC(CC1)[N@H+]2CC(N)=O ZINC000602984611 349836017 /nfs/dbraw/zinc/83/60/17/349836017.db2.gz UXNDMZQQQVMWJX-UHFFFAOYSA-N 1 2 212.249 -0.358 20 0 BBADLO COC(=O)C12CCC(CC1)[N@@H+]2CC(N)=O ZINC000602984611 349836016 /nfs/dbraw/zinc/83/60/16/349836016.db2.gz UXNDMZQQQVMWJX-UHFFFAOYSA-N 1 2 212.249 -0.358 20 0 BBADLO CNC(=O)NC[C@@H]1COCC[N@H+]1CCSC ZINC000602998684 349851959 /nfs/dbraw/zinc/85/19/59/349851959.db2.gz HKHVKWIMUMVMGM-SECBINFHSA-N 1 2 247.364 -0.021 20 0 BBADLO CNC(=O)NC[C@@H]1COCC[N@@H+]1CCSC ZINC000602998684 349851957 /nfs/dbraw/zinc/85/19/57/349851957.db2.gz HKHVKWIMUMVMGM-SECBINFHSA-N 1 2 247.364 -0.021 20 0 BBADLO CNC(=O)NC[C@H]1COCC[N@H+]1CCSC ZINC000602998685 349852304 /nfs/dbraw/zinc/85/23/04/349852304.db2.gz HKHVKWIMUMVMGM-VIFPVBQESA-N 1 2 247.364 -0.021 20 0 BBADLO CNC(=O)NC[C@H]1COCC[N@@H+]1CCSC ZINC000602998685 349852302 /nfs/dbraw/zinc/85/23/02/349852302.db2.gz HKHVKWIMUMVMGM-VIFPVBQESA-N 1 2 247.364 -0.021 20 0 BBADLO CCOC(=O)[C@]1(C)C[N@@H+](CCO)CCO1 ZINC000603004472 349855338 /nfs/dbraw/zinc/85/53/38/349855338.db2.gz SKDLSRVGAAIKFH-JTQLQIEISA-N 1 2 217.265 -0.367 20 0 BBADLO CCOC(=O)[C@]1(C)C[N@H+](CCO)CCO1 ZINC000603004472 349855336 /nfs/dbraw/zinc/85/53/36/349855336.db2.gz SKDLSRVGAAIKFH-JTQLQIEISA-N 1 2 217.265 -0.367 20 0 BBADLO CCOC(=O)[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC000603004473 349855121 /nfs/dbraw/zinc/85/51/21/349855121.db2.gz SKDLSRVGAAIKFH-SNVBAGLBSA-N 1 2 217.265 -0.367 20 0 BBADLO CCOC(=O)[C@@]1(C)C[N@H+](CCO)CCO1 ZINC000603004473 349855117 /nfs/dbraw/zinc/85/51/17/349855117.db2.gz SKDLSRVGAAIKFH-SNVBAGLBSA-N 1 2 217.265 -0.367 20 0 BBADLO CCCn1cc(C[C@@H]([NH3+])C(=O)OC)nn1 ZINC000603160138 349879033 /nfs/dbraw/zinc/87/90/33/349879033.db2.gz FLCZXDPGLFXRIX-MRVPVSSYSA-N 1 2 212.253 -0.269 20 0 BBADLO CCCn1cc(C[C@H]([NH3+])C(=O)OC)nn1 ZINC000603160150 349879085 /nfs/dbraw/zinc/87/90/85/349879085.db2.gz FLCZXDPGLFXRIX-QMMMGPOBSA-N 1 2 212.253 -0.269 20 0 BBADLO COC(=O)[C@H]([NH3+])Cc1cn(C[C@@H]2C[C@H]2C)nn1 ZINC000603229151 398089571 /nfs/dbraw/zinc/08/95/71/398089571.db2.gz ATKRDUQVQRNYFG-KHQFGBGNSA-N 1 2 238.291 -0.023 20 0 BBADLO COC(=O)[C@H]([NH3+])Cc1cn(C[C@H]2C[C@H]2C)nn1 ZINC000603229153 398089577 /nfs/dbraw/zinc/08/95/77/398089577.db2.gz ATKRDUQVQRNYFG-NQMVMOMDSA-N 1 2 238.291 -0.023 20 0 BBADLO COC(=O)[C@H]([NH3+])Cc1cn(C[C@@H]2C[C@@H]2C)nn1 ZINC000603229155 398089512 /nfs/dbraw/zinc/08/95/12/398089512.db2.gz ATKRDUQVQRNYFG-OYNCUSHFSA-N 1 2 238.291 -0.023 20 0 BBADLO COC(=O)[C@H]([NH3+])Cc1cn(C[C@H]2C[C@@H]2C)nn1 ZINC000603229157 398089442 /nfs/dbraw/zinc/08/94/42/398089442.db2.gz ATKRDUQVQRNYFG-QXFUBDJGSA-N 1 2 238.291 -0.023 20 0 BBADLO Cn1nnnc1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000603493642 349982183 /nfs/dbraw/zinc/98/21/83/349982183.db2.gz QMZRWVAAGCGCOI-UHFFFAOYSA-N 1 2 248.294 -0.745 20 0 BBADLO CN(CCNS(C)(=O)=O)Cc1[nH]cc[nH+]1 ZINC000603499734 349987548 /nfs/dbraw/zinc/98/75/48/349987548.db2.gz BKAKPEZPLHEZDL-UHFFFAOYSA-N 1 2 232.309 -0.609 20 0 BBADLO O=C(C[N@@H+]1CC[C@H](O)C1)Nc1ccon1 ZINC000603555713 412313987 /nfs/dbraw/zinc/31/39/87/412313987.db2.gz JVZHQUCGYHMUCO-ZETCQYMHSA-N 1 2 211.221 -0.320 20 0 BBADLO O=C(C[N@H+]1CC[C@H](O)C1)Nc1ccon1 ZINC000603555713 412313985 /nfs/dbraw/zinc/31/39/85/412313985.db2.gz JVZHQUCGYHMUCO-ZETCQYMHSA-N 1 2 211.221 -0.320 20 0 BBADLO COCC(=O)NC1CC[NH+](CC(=O)OC)CC1 ZINC000603682055 350010793 /nfs/dbraw/zinc/01/07/93/350010793.db2.gz XZHYZNGBXNCDER-UHFFFAOYSA-N 1 2 244.291 -0.614 20 0 BBADLO COC(=O)C[N@@H+](C)Cc1ccn(C)c(=O)c1 ZINC000603846107 350042725 /nfs/dbraw/zinc/04/27/25/350042725.db2.gz PRXOGLAKEPQASS-UHFFFAOYSA-N 1 2 224.260 -0.010 20 0 BBADLO COC(=O)C[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC000603846107 350042722 /nfs/dbraw/zinc/04/27/22/350042722.db2.gz PRXOGLAKEPQASS-UHFFFAOYSA-N 1 2 224.260 -0.010 20 0 BBADLO CN(CC(=O)NCc1[nH]cc[nH+]1)C(=O)C1CC1 ZINC000603870503 350047069 /nfs/dbraw/zinc/04/70/69/350047069.db2.gz HPJFDRNGAIWBEV-UHFFFAOYSA-N 1 2 236.275 -0.106 20 0 BBADLO O=C(Cn1cnnn1)Nc1ccc2[nH+]ccn2c1 ZINC000603882676 350048113 /nfs/dbraw/zinc/04/81/13/350048113.db2.gz UWLZLAIRVFSEGA-UHFFFAOYSA-N 1 2 243.230 -0.041 20 0 BBADLO COCCOCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000603916506 350055809 /nfs/dbraw/zinc/05/58/09/350055809.db2.gz LXXHGHFTKKEWKN-UHFFFAOYSA-N 1 2 239.275 -0.071 20 0 BBADLO O=C(CN1CCCC1=O)N1CC(n2cc[nH+]c2)C1 ZINC000603916855 350056281 /nfs/dbraw/zinc/05/62/81/350056281.db2.gz JRMUEWGINPJHJC-UHFFFAOYSA-N 1 2 248.286 -0.111 20 0 BBADLO CN1C[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)CC1=O ZINC000603916990 350055988 /nfs/dbraw/zinc/05/59/88/350055988.db2.gz VQMHPXZSOBOKRI-SECBINFHSA-N 1 2 248.286 -0.255 20 0 BBADLO CN1C[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)CC1=O ZINC000603916991 350055796 /nfs/dbraw/zinc/05/57/96/350055796.db2.gz VQMHPXZSOBOKRI-VIFPVBQESA-N 1 2 248.286 -0.255 20 0 BBADLO O=C(C[N@@H+]1CC[C@@H](O)C1)Nc1ccon1 ZINC000603940780 412314204 /nfs/dbraw/zinc/31/42/04/412314204.db2.gz JVZHQUCGYHMUCO-SSDOTTSWSA-N 1 2 211.221 -0.320 20 0 BBADLO O=C(C[N@H+]1CC[C@@H](O)C1)Nc1ccon1 ZINC000603940780 412314202 /nfs/dbraw/zinc/31/42/02/412314202.db2.gz JVZHQUCGYHMUCO-SSDOTTSWSA-N 1 2 211.221 -0.320 20 0 BBADLO O=S(=O)(NCCn1cc[nH+]c1)[C@@H]1CCOC1 ZINC000605318144 342750772 /nfs/dbraw/zinc/75/07/72/342750772.db2.gz OORRHPKJTPNSJM-SECBINFHSA-N 1 2 245.304 -0.409 20 0 BBADLO O=S(=O)(NCCn1cc[nH+]c1)[C@H]1CCOC1 ZINC000605318145 342750672 /nfs/dbraw/zinc/75/06/72/342750672.db2.gz OORRHPKJTPNSJM-VIFPVBQESA-N 1 2 245.304 -0.409 20 0 BBADLO C[NH+]1CCN(C(=O)[C@H](O)C2CCOCC2)CC1 ZINC000605423286 343978855 /nfs/dbraw/zinc/97/88/55/343978855.db2.gz XVPCJANVAHKZEV-LLVKDONJSA-N 1 2 242.319 -0.452 20 0 BBADLO C[NH+]1CCN(C(=O)[C@@H](O)C2CCOCC2)CC1 ZINC000605423287 343978920 /nfs/dbraw/zinc/97/89/20/343978920.db2.gz XVPCJANVAHKZEV-NSHDSACASA-N 1 2 242.319 -0.452 20 0 BBADLO CC[NH+]1CCN(S(=O)(=O)N(C)C2CC2)CC1 ZINC000605581225 346232463 /nfs/dbraw/zinc/23/24/63/346232463.db2.gz DYADIOLVUUPPJD-UHFFFAOYSA-N 1 2 247.364 -0.037 20 0 BBADLO CN(C1CC1)S(=O)(=O)N1CC[NH+](C)CC1 ZINC000605581910 346231526 /nfs/dbraw/zinc/23/15/26/346231526.db2.gz LUWKYYJZBOPYQA-UHFFFAOYSA-N 1 2 233.337 -0.427 20 0 BBADLO CN(C1CC1)S(=O)(=O)NCCn1cc[nH+]c1 ZINC000605582800 346238142 /nfs/dbraw/zinc/23/81/42/346238142.db2.gz CEVBAUBNCUZDPI-UHFFFAOYSA-N 1 2 244.320 -0.188 20 0 BBADLO Cc1[nH]c(C(=O)NC[C@@H](O)[C@@H]2CCOC2)c[nH+]1 ZINC000605893898 348835548 /nfs/dbraw/zinc/83/55/48/348835548.db2.gz MSNSKDUIYZFGAG-PSASIEDQSA-N 1 2 239.275 -0.155 20 0 BBADLO Cc1[nH]c(C(=O)NC[C@H](O)[C@@H]2CCOC2)c[nH+]1 ZINC000605893901 348835378 /nfs/dbraw/zinc/83/53/78/348835378.db2.gz MSNSKDUIYZFGAG-SCZZXKLOSA-N 1 2 239.275 -0.155 20 0 BBADLO Cc1[nH]c(C(=O)NC[C@@H](O)[C@H]2CCOC2)c[nH+]1 ZINC000605893903 348835343 /nfs/dbraw/zinc/83/53/43/348835343.db2.gz MSNSKDUIYZFGAG-WCBMZHEXSA-N 1 2 239.275 -0.155 20 0 BBADLO Cc1[nH]c(C(=O)NC[C@H](O)[C@H]2CCOC2)c[nH+]1 ZINC000605893904 348835211 /nfs/dbraw/zinc/83/52/11/348835211.db2.gz MSNSKDUIYZFGAG-WPRPVWTQSA-N 1 2 239.275 -0.155 20 0 BBADLO C[N@H+]1CCCC[C@@H]1C(=O)NCc1nn[nH]n1 ZINC000606370016 350318380 /nfs/dbraw/zinc/31/83/80/350318380.db2.gz ABVKPKXAQDYKQW-SSDOTTSWSA-N 1 2 224.268 -0.700 20 0 BBADLO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1nn[nH]n1 ZINC000606370016 350318379 /nfs/dbraw/zinc/31/83/79/350318379.db2.gz ABVKPKXAQDYKQW-SSDOTTSWSA-N 1 2 224.268 -0.700 20 0 BBADLO C[N@H+]1CCCC[C@H]1C(=O)NCc1nn[nH]n1 ZINC000606370017 350318320 /nfs/dbraw/zinc/31/83/20/350318320.db2.gz ABVKPKXAQDYKQW-ZETCQYMHSA-N 1 2 224.268 -0.700 20 0 BBADLO C[N@@H+]1CCCC[C@H]1C(=O)NCc1nn[nH]n1 ZINC000606370017 350318318 /nfs/dbraw/zinc/31/83/18/350318318.db2.gz ABVKPKXAQDYKQW-ZETCQYMHSA-N 1 2 224.268 -0.700 20 0 BBADLO C[N@H+]1CCCC[C@H]1C(=O)Nc1nn[nH]n1 ZINC000606373612 350320741 /nfs/dbraw/zinc/32/07/41/350320741.db2.gz LFPYXTSIKGFJOV-LURJTMIESA-N 1 2 210.241 -0.378 20 0 BBADLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1nn[nH]n1 ZINC000606373612 350320737 /nfs/dbraw/zinc/32/07/37/350320737.db2.gz LFPYXTSIKGFJOV-LURJTMIESA-N 1 2 210.241 -0.378 20 0 BBADLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1nn[nH]n1 ZINC000606373613 350321328 /nfs/dbraw/zinc/32/13/28/350321328.db2.gz LFPYXTSIKGFJOV-ZCFIWIBFSA-N 1 2 210.241 -0.378 20 0 BBADLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1nn[nH]n1 ZINC000606373613 350321325 /nfs/dbraw/zinc/32/13/25/350321325.db2.gz LFPYXTSIKGFJOV-ZCFIWIBFSA-N 1 2 210.241 -0.378 20 0 BBADLO CN(CC1CC1)S(=O)(=O)N1CC[NH+](C)CC1 ZINC000606454914 350340081 /nfs/dbraw/zinc/34/00/81/350340081.db2.gz SSUQJWQEMFZCJL-UHFFFAOYSA-N 1 2 247.364 -0.180 20 0 BBADLO NC(=O)NCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606533155 350356014 /nfs/dbraw/zinc/35/60/14/350356014.db2.gz IOIODSYSKCTZRX-UHFFFAOYSA-N 1 2 233.231 -0.059 20 0 BBADLO O=C(C1CC1)N1CC[NH+](CCOCCO)CC1 ZINC000606896373 350621728 /nfs/dbraw/zinc/62/17/28/350621728.db2.gz JXXPQCVEDSPTET-UHFFFAOYSA-N 1 2 242.319 -0.451 20 0 BBADLO O=C(C[N@@H+]1CC[C@@H](CO)C1)Nc1ccon1 ZINC000606934339 412314469 /nfs/dbraw/zinc/31/44/69/412314469.db2.gz CSPVDGSXCHKBPX-MRVPVSSYSA-N 1 2 225.248 -0.073 20 0 BBADLO O=C(C[N@H+]1CC[C@@H](CO)C1)Nc1ccon1 ZINC000606934339 412314466 /nfs/dbraw/zinc/31/44/66/412314466.db2.gz CSPVDGSXCHKBPX-MRVPVSSYSA-N 1 2 225.248 -0.073 20 0 BBADLO O=C(C[N@@H+]1CC[C@H](CO)C1)Nc1ccon1 ZINC000606934349 412313958 /nfs/dbraw/zinc/31/39/58/412313958.db2.gz CSPVDGSXCHKBPX-QMMMGPOBSA-N 1 2 225.248 -0.073 20 0 BBADLO O=C(C[N@H+]1CC[C@H](CO)C1)Nc1ccon1 ZINC000606934349 412313954 /nfs/dbraw/zinc/31/39/54/412313954.db2.gz CSPVDGSXCHKBPX-QMMMGPOBSA-N 1 2 225.248 -0.073 20 0 BBADLO C[C@@H](CNC(=O)Cn1cncn1)Cn1cc[nH+]c1 ZINC000607040833 350796478 /nfs/dbraw/zinc/79/64/78/350796478.db2.gz RQNJISNXEAWAAP-JTQLQIEISA-N 1 2 248.290 -0.073 20 0 BBADLO C[C@H](CNC(=O)Cn1cncn1)Cn1cc[nH+]c1 ZINC000607040834 350796472 /nfs/dbraw/zinc/79/64/72/350796472.db2.gz RQNJISNXEAWAAP-SNVBAGLBSA-N 1 2 248.290 -0.073 20 0 BBADLO CN(CC(N)=O)c1cc(-n2cc[nH+]c2)ncn1 ZINC000607058403 350810680 /nfs/dbraw/zinc/81/06/80/350810680.db2.gz SNFDDCBWAQOROA-UHFFFAOYSA-N 1 2 232.247 -0.416 20 0 BBADLO OC1CN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000607059115 350811439 /nfs/dbraw/zinc/81/14/39/350811439.db2.gz CWUFOIDLZADCHG-UHFFFAOYSA-N 1 2 217.232 -0.157 20 0 BBADLO O=C1CN(c2cc(-n3cc[nH+]c3)ncn2)CCN1 ZINC000607141681 350941305 /nfs/dbraw/zinc/94/13/05/350941305.db2.gz LVDRAMLLYJCTNH-UHFFFAOYSA-N 1 2 244.258 -0.402 20 0 BBADLO Cn1nnnc1C[N@@H+](CCCO)C1CC1 ZINC000607153364 351030317 /nfs/dbraw/zinc/03/03/17/351030317.db2.gz KAQCDEFHYCTIJA-UHFFFAOYSA-N 1 2 211.269 -0.443 20 0 BBADLO Cn1nnnc1C[N@H+](CCCO)C1CC1 ZINC000607153364 351030312 /nfs/dbraw/zinc/03/03/12/351030312.db2.gz KAQCDEFHYCTIJA-UHFFFAOYSA-N 1 2 211.269 -0.443 20 0 BBADLO Cn1ccc(C[N@@H+]2CCN(C)C(=O)C2)cc1=O ZINC000607154053 351030996 /nfs/dbraw/zinc/03/09/96/351030996.db2.gz FVAYVIPJMIIQMM-UHFFFAOYSA-N 1 2 235.287 -0.341 20 0 BBADLO Cn1ccc(C[N@H+]2CCN(C)C(=O)C2)cc1=O ZINC000607154053 351030992 /nfs/dbraw/zinc/03/09/92/351030992.db2.gz FVAYVIPJMIIQMM-UHFFFAOYSA-N 1 2 235.287 -0.341 20 0 BBADLO CCOC[C@H](O)C[N@H+]1CCN(C)C(=O)C1 ZINC000607192705 351064980 /nfs/dbraw/zinc/06/49/80/351064980.db2.gz UNTWRYPGVCGQCJ-SECBINFHSA-N 1 2 216.281 -0.842 20 0 BBADLO CCOC[C@H](O)C[N@@H+]1CCN(C)C(=O)C1 ZINC000607192705 351064977 /nfs/dbraw/zinc/06/49/77/351064977.db2.gz UNTWRYPGVCGQCJ-SECBINFHSA-N 1 2 216.281 -0.842 20 0 BBADLO CCOC[C@@H](O)C[N@H+]1CCN(C)C(=O)C1 ZINC000607192715 351065211 /nfs/dbraw/zinc/06/52/11/351065211.db2.gz UNTWRYPGVCGQCJ-VIFPVBQESA-N 1 2 216.281 -0.842 20 0 BBADLO CCOC[C@@H](O)C[N@@H+]1CCN(C)C(=O)C1 ZINC000607192715 351065208 /nfs/dbraw/zinc/06/52/08/351065208.db2.gz UNTWRYPGVCGQCJ-VIFPVBQESA-N 1 2 216.281 -0.842 20 0 BBADLO CCC[N@@H+](C)CC(=O)NCc1nn[nH]n1 ZINC000607341140 351323952 /nfs/dbraw/zinc/32/39/52/351323952.db2.gz KVKQBUQLFRJBNF-UHFFFAOYSA-N 1 2 212.257 -0.842 20 0 BBADLO CCC[N@H+](C)CC(=O)NCc1nn[nH]n1 ZINC000607341140 351323947 /nfs/dbraw/zinc/32/39/47/351323947.db2.gz KVKQBUQLFRJBNF-UHFFFAOYSA-N 1 2 212.257 -0.842 20 0 BBADLO O=C1C[N@@H+](CCOC[C@@H]2CCCO2)CCN1 ZINC000607356817 351331163 /nfs/dbraw/zinc/33/11/63/351331163.db2.gz SAGMZDBKIBGLSI-JTQLQIEISA-N 1 2 228.292 -0.386 20 0 BBADLO O=C1C[N@H+](CCOC[C@@H]2CCCO2)CCN1 ZINC000607356817 351331157 /nfs/dbraw/zinc/33/11/57/351331157.db2.gz SAGMZDBKIBGLSI-JTQLQIEISA-N 1 2 228.292 -0.386 20 0 BBADLO O=C1C[N@@H+](CCOC[C@H]2CCCO2)CCN1 ZINC000607356818 351331451 /nfs/dbraw/zinc/33/14/51/351331451.db2.gz SAGMZDBKIBGLSI-SNVBAGLBSA-N 1 2 228.292 -0.386 20 0 BBADLO O=C1C[N@H+](CCOC[C@H]2CCCO2)CCN1 ZINC000607356818 351331444 /nfs/dbraw/zinc/33/14/44/351331444.db2.gz SAGMZDBKIBGLSI-SNVBAGLBSA-N 1 2 228.292 -0.386 20 0 BBADLO Cc1nnc(NC(=O)CN2CC[NH+](C)CC2)[nH]1 ZINC000607385974 385661660 /nfs/dbraw/zinc/66/16/60/385661660.db2.gz LIHWMJSMEBHDJY-UHFFFAOYSA-N 1 2 238.295 -0.701 20 0 BBADLO Cc1nc(NC(=O)CN2CC[NH+](C)CC2)n[nH]1 ZINC000607385974 385661651 /nfs/dbraw/zinc/66/16/51/385661651.db2.gz LIHWMJSMEBHDJY-UHFFFAOYSA-N 1 2 238.295 -0.701 20 0 BBADLO O[C@@H](CNc1cccnn1)C[NH+]1CCOCC1 ZINC000608078154 411500575 /nfs/dbraw/zinc/50/05/75/411500575.db2.gz IWBOBTSDNUVBJB-JTQLQIEISA-N 1 2 238.291 -0.418 20 0 BBADLO O[C@H](CNc1cccnn1)C[NH+]1CCOCC1 ZINC000608078155 411697726 /nfs/dbraw/zinc/69/77/26/411697726.db2.gz IWBOBTSDNUVBJB-SNVBAGLBSA-N 1 2 238.291 -0.418 20 0 BBADLO CSCCNC(=O)NCC[NH+]1CCOCC1 ZINC000608791006 342980963 /nfs/dbraw/zinc/98/09/63/342980963.db2.gz IBHUEDHGJNJYNA-UHFFFAOYSA-N 1 2 247.364 -0.019 20 0 BBADLO CCOC(=O)C[N@@H+](C)CCCS(N)(=O)=O ZINC000609194144 343359974 /nfs/dbraw/zinc/35/99/74/343359974.db2.gz UHJRBDFOTSXWTJ-UHFFFAOYSA-N 1 2 238.309 -0.840 20 0 BBADLO CCOC(=O)C[N@H+](C)CCCS(N)(=O)=O ZINC000609194144 343359973 /nfs/dbraw/zinc/35/99/73/343359973.db2.gz UHJRBDFOTSXWTJ-UHFFFAOYSA-N 1 2 238.309 -0.840 20 0 BBADLO COC(=O)C(C)(C)[NH2+]CCN1C(=O)CCC1=O ZINC000609806707 356473541 /nfs/dbraw/zinc/47/35/41/356473541.db2.gz BIVQLEOKXFBXTD-UHFFFAOYSA-N 1 2 242.275 -0.323 20 0 BBADLO CCNC(=O)NC(=O)C[N@@H+](C)Cc1cn[nH]c1 ZINC000610487632 357952353 /nfs/dbraw/zinc/95/23/53/357952353.db2.gz QHFVLPZJENQDOB-UHFFFAOYSA-N 1 2 239.279 -0.313 20 0 BBADLO CCNC(=O)NC(=O)C[N@H+](C)Cc1cn[nH]c1 ZINC000610487632 357952351 /nfs/dbraw/zinc/95/23/51/357952351.db2.gz QHFVLPZJENQDOB-UHFFFAOYSA-N 1 2 239.279 -0.313 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+](C)Cc1cn[nH]c1 ZINC000610487687 357951876 /nfs/dbraw/zinc/95/18/76/357951876.db2.gz RUGAWDDSYDMKJN-UHFFFAOYSA-N 1 2 225.252 -0.703 20 0 BBADLO CNC(=O)NC(=O)C[N@H+](C)Cc1cn[nH]c1 ZINC000610487687 357951875 /nfs/dbraw/zinc/95/18/75/357951875.db2.gz RUGAWDDSYDMKJN-UHFFFAOYSA-N 1 2 225.252 -0.703 20 0 BBADLO C[N@@H+](CC(=O)NC(N)=O)Cc1cn[nH]c1 ZINC000610487721 357951952 /nfs/dbraw/zinc/95/19/52/357951952.db2.gz SHHPYFSLWUDVEI-UHFFFAOYSA-N 1 2 211.225 -0.964 20 0 BBADLO C[N@H+](CC(=O)NC(N)=O)Cc1cn[nH]c1 ZINC000610487721 357951950 /nfs/dbraw/zinc/95/19/50/357951950.db2.gz SHHPYFSLWUDVEI-UHFFFAOYSA-N 1 2 211.225 -0.964 20 0 BBADLO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)Cc1cn[nH]c1 ZINC000610487725 357952648 /nfs/dbraw/zinc/95/26/48/357952648.db2.gz STNWEVASRNPCSP-LURJTMIESA-N 1 2 225.252 -0.575 20 0 BBADLO C[C@@H](C(=O)NC(N)=O)[N@H+](C)Cc1cn[nH]c1 ZINC000610487725 357952645 /nfs/dbraw/zinc/95/26/45/357952645.db2.gz STNWEVASRNPCSP-LURJTMIESA-N 1 2 225.252 -0.575 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[N@@H+](C)Cc1cn[nH]c1 ZINC000610487727 357952902 /nfs/dbraw/zinc/95/29/02/357952902.db2.gz STNWEVASRNPCSP-ZCFIWIBFSA-N 1 2 225.252 -0.575 20 0 BBADLO C[C@H](C(=O)NC(N)=O)[N@H+](C)Cc1cn[nH]c1 ZINC000610487727 357952901 /nfs/dbraw/zinc/95/29/01/357952901.db2.gz STNWEVASRNPCSP-ZCFIWIBFSA-N 1 2 225.252 -0.575 20 0 BBADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000610487796 357953057 /nfs/dbraw/zinc/95/30/57/357953057.db2.gz XSQPJRYTPVVRRW-SSDOTTSWSA-N 1 2 239.279 -0.314 20 0 BBADLO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000610487796 357953052 /nfs/dbraw/zinc/95/30/52/357953052.db2.gz XSQPJRYTPVVRRW-SSDOTTSWSA-N 1 2 239.279 -0.314 20 0 BBADLO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000610487800 357953014 /nfs/dbraw/zinc/95/30/14/357953014.db2.gz XSQPJRYTPVVRRW-ZETCQYMHSA-N 1 2 239.279 -0.314 20 0 BBADLO CNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000610487800 357953010 /nfs/dbraw/zinc/95/30/10/357953010.db2.gz XSQPJRYTPVVRRW-ZETCQYMHSA-N 1 2 239.279 -0.314 20 0 BBADLO CC[C@H](C(=O)OC)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604202 358016045 /nfs/dbraw/zinc/01/60/45/358016045.db2.gz HCNVMWFDEVIIGB-HRDYMLBCSA-N 1 2 217.265 -0.635 20 0 BBADLO CC[C@H](C(=O)OC)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604202 358016043 /nfs/dbraw/zinc/01/60/43/358016043.db2.gz HCNVMWFDEVIIGB-HRDYMLBCSA-N 1 2 217.265 -0.635 20 0 BBADLO CC[C@@H](C(=O)OC)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604203 358016004 /nfs/dbraw/zinc/01/60/04/358016004.db2.gz HCNVMWFDEVIIGB-YIZRAAEISA-N 1 2 217.265 -0.635 20 0 BBADLO CC[C@@H](C(=O)OC)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604203 358016001 /nfs/dbraw/zinc/01/60/01/358016001.db2.gz HCNVMWFDEVIIGB-YIZRAAEISA-N 1 2 217.265 -0.635 20 0 BBADLO CCOC(=O)[C@H](CC)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604258 358015336 /nfs/dbraw/zinc/01/53/36/358015336.db2.gz KRFVAAPOLYVHEP-AEJSXWLSSA-N 1 2 231.292 -0.244 20 0 BBADLO CCOC(=O)[C@H](CC)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604258 358015332 /nfs/dbraw/zinc/01/53/32/358015332.db2.gz KRFVAAPOLYVHEP-AEJSXWLSSA-N 1 2 231.292 -0.244 20 0 BBADLO CCOC(=O)[C@@H](CC)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604259 358015606 /nfs/dbraw/zinc/01/56/06/358015606.db2.gz KRFVAAPOLYVHEP-KXUCPTDWSA-N 1 2 231.292 -0.244 20 0 BBADLO CCOC(=O)[C@@H](CC)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604259 358015603 /nfs/dbraw/zinc/01/56/03/358015603.db2.gz KRFVAAPOLYVHEP-KXUCPTDWSA-N 1 2 231.292 -0.244 20 0 BBADLO CC(C)(C)OC(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604412 358015739 /nfs/dbraw/zinc/01/57/39/358015739.db2.gz QWQSKMFRFWBXAX-DTORHVGOSA-N 1 2 231.292 -0.244 20 0 BBADLO CC(C)(C)OC(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604412 358015735 /nfs/dbraw/zinc/01/57/35/358015735.db2.gz QWQSKMFRFWBXAX-DTORHVGOSA-N 1 2 231.292 -0.244 20 0 BBADLO CCOC(=O)[C@@H](C)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604552 358015967 /nfs/dbraw/zinc/01/59/67/358015967.db2.gz WVXZRLLMKOORLL-HLTSFMKQSA-N 1 2 217.265 -0.635 20 0 BBADLO CCOC(=O)[C@@H](C)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604552 358015965 /nfs/dbraw/zinc/01/59/65/358015965.db2.gz WVXZRLLMKOORLL-HLTSFMKQSA-N 1 2 217.265 -0.635 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604553 358015797 /nfs/dbraw/zinc/01/57/97/358015797.db2.gz WVXZRLLMKOORLL-XHNCKOQMSA-N 1 2 217.265 -0.635 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604553 358015792 /nfs/dbraw/zinc/01/57/92/358015792.db2.gz WVXZRLLMKOORLL-XHNCKOQMSA-N 1 2 217.265 -0.635 20 0 BBADLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)CCO ZINC000610827888 358213441 /nfs/dbraw/zinc/21/34/41/358213441.db2.gz AMPDDSLKSYXAIT-SECBINFHSA-N 1 2 219.281 -0.123 20 0 BBADLO COC(=O)[C@@H](COC(C)C)[N@H+](C)CCO ZINC000610827888 358213439 /nfs/dbraw/zinc/21/34/39/358213439.db2.gz AMPDDSLKSYXAIT-SECBINFHSA-N 1 2 219.281 -0.123 20 0 BBADLO COC(=O)[C@H](COC(C)C)[N@@H+](C)CCO ZINC000610827901 358213466 /nfs/dbraw/zinc/21/34/66/358213466.db2.gz AMPDDSLKSYXAIT-VIFPVBQESA-N 1 2 219.281 -0.123 20 0 BBADLO COC(=O)[C@H](COC(C)C)[N@H+](C)CCO ZINC000610827901 358213464 /nfs/dbraw/zinc/21/34/64/358213464.db2.gz AMPDDSLKSYXAIT-VIFPVBQESA-N 1 2 219.281 -0.123 20 0 BBADLO COC(=O)CNC(=O)C[N@@H+](C)Cc1cn[nH]c1 ZINC000610989133 358423254 /nfs/dbraw/zinc/42/32/54/358423254.db2.gz INZMKTQDOQQRIL-UHFFFAOYSA-N 1 2 240.263 -0.869 20 0 BBADLO COC(=O)CNC(=O)C[N@H+](C)Cc1cn[nH]c1 ZINC000610989133 358423251 /nfs/dbraw/zinc/42/32/51/358423251.db2.gz INZMKTQDOQQRIL-UHFFFAOYSA-N 1 2 240.263 -0.869 20 0 BBADLO CCOC[C@H](C(=O)OC)[N@@H+](C)CCO ZINC000610998427 358425097 /nfs/dbraw/zinc/42/50/97/358425097.db2.gz BXADXGRYRZPTFO-MRVPVSSYSA-N 1 2 205.254 -0.511 20 0 BBADLO CCOC[C@H](C(=O)OC)[N@H+](C)CCO ZINC000610998427 358425094 /nfs/dbraw/zinc/42/50/94/358425094.db2.gz BXADXGRYRZPTFO-MRVPVSSYSA-N 1 2 205.254 -0.511 20 0 BBADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)CCO ZINC000610998428 358424333 /nfs/dbraw/zinc/42/43/33/358424333.db2.gz BXADXGRYRZPTFO-QMMMGPOBSA-N 1 2 205.254 -0.511 20 0 BBADLO CCOC[C@@H](C(=O)OC)[N@H+](C)CCO ZINC000610998428 358424330 /nfs/dbraw/zinc/42/43/30/358424330.db2.gz BXADXGRYRZPTFO-QMMMGPOBSA-N 1 2 205.254 -0.511 20 0 BBADLO CCOC[C@H](C(=O)OC)[N@@H+](C)CCCO ZINC000610998693 358424475 /nfs/dbraw/zinc/42/44/75/358424475.db2.gz RENRZKLDRQIPFG-SECBINFHSA-N 1 2 219.281 -0.121 20 0 BBADLO CCOC[C@H](C(=O)OC)[N@H+](C)CCCO ZINC000610998693 358424472 /nfs/dbraw/zinc/42/44/72/358424472.db2.gz RENRZKLDRQIPFG-SECBINFHSA-N 1 2 219.281 -0.121 20 0 BBADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)CCCO ZINC000610998694 358425060 /nfs/dbraw/zinc/42/50/60/358425060.db2.gz RENRZKLDRQIPFG-VIFPVBQESA-N 1 2 219.281 -0.121 20 0 BBADLO CCOC[C@@H](C(=O)OC)[N@H+](C)CCCO ZINC000610998694 358425057 /nfs/dbraw/zinc/42/50/57/358425057.db2.gz RENRZKLDRQIPFG-VIFPVBQESA-N 1 2 219.281 -0.121 20 0 BBADLO NC(=O)NC(=O)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180859 358928993 /nfs/dbraw/zinc/92/89/93/358928993.db2.gz YFSZJBOBTFMGRK-UHFFFAOYSA-N 1 2 233.218 -0.088 20 0 BBADLO CNC(=O)NC(=O)CN(C)Cc1[nH]cc[nH+]1 ZINC000611191086 359100412 /nfs/dbraw/zinc/10/04/12/359100412.db2.gz HZKMRURDJCETBU-UHFFFAOYSA-N 1 2 225.252 -0.703 20 0 BBADLO C[C@@H](C(=O)NC(N)=O)N(C)Cc1[nH]cc[nH+]1 ZINC000611191146 359100623 /nfs/dbraw/zinc/10/06/23/359100623.db2.gz RPCVYVZZUDGZRH-LURJTMIESA-N 1 2 225.252 -0.575 20 0 BBADLO C[C@H](C(=O)NC(N)=O)N(C)Cc1[nH]cc[nH+]1 ZINC000611191147 359100718 /nfs/dbraw/zinc/10/07/18/359100718.db2.gz RPCVYVZZUDGZRH-ZCFIWIBFSA-N 1 2 225.252 -0.575 20 0 BBADLO CNC(=O)NC(=O)[C@@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000611191182 359100420 /nfs/dbraw/zinc/10/04/20/359100420.db2.gz YRVVFOZTADMENV-SSDOTTSWSA-N 1 2 239.279 -0.314 20 0 BBADLO CNC(=O)NC(=O)[C@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000611191183 359100405 /nfs/dbraw/zinc/10/04/05/359100405.db2.gz YRVVFOZTADMENV-ZETCQYMHSA-N 1 2 239.279 -0.314 20 0 BBADLO CCNC(=O)NC(=O)CN(C)Cc1[nH]cc[nH+]1 ZINC000611191191 359090006 /nfs/dbraw/zinc/09/00/06/359090006.db2.gz AYGAJIYXEGLEFD-UHFFFAOYSA-N 1 2 239.279 -0.313 20 0 BBADLO CCOC[C@H](C(=O)OC)[N@@H+](C)C[C@@H](O)COC ZINC000611209573 359142473 /nfs/dbraw/zinc/14/24/73/359142473.db2.gz DDIGEJYKTUKZET-NXEZZACHSA-N 1 2 249.307 -0.496 20 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Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H](O)C1 ZINC000612637319 359958605 /nfs/dbraw/zinc/95/86/05/359958605.db2.gz RYGCMPALLGIZQU-OCAPTIKFSA-N 1 2 209.249 -0.100 20 0 BBADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@@H](O)C1 ZINC000612637570 359959251 /nfs/dbraw/zinc/95/92/51/359959251.db2.gz WCIZIPWTNVOAGN-WAAGHKOSSA-N 1 2 223.276 -0.008 20 0 BBADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@@H](O)C1 ZINC000612637945 359960402 /nfs/dbraw/zinc/96/04/02/359960402.db2.gz ZUTIRGYPPABPIK-DTORHVGOSA-N 1 2 209.249 -0.018 20 0 BBADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@@H](O)C1 ZINC000612637945 359960396 /nfs/dbraw/zinc/96/03/96/359960396.db2.gz ZUTIRGYPPABPIK-DTORHVGOSA-N 1 2 209.249 -0.018 20 0 BBADLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H](O)C1 ZINC000612638222 359960004 /nfs/dbraw/zinc/96/00/04/359960004.db2.gz MLJFESJSWCKTPN-OTSSQURYSA-N 1 2 209.249 -0.398 20 0 BBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ncc[nH]1 ZINC000612746580 360040076 /nfs/dbraw/zinc/04/00/76/360040076.db2.gz DFTKDLJOTNEITF-SECBINFHSA-N 1 2 235.291 -0.861 20 0 BBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ncc[nH]1 ZINC000612746581 360040375 /nfs/dbraw/zinc/04/03/75/360040375.db2.gz DFTKDLJOTNEITF-VIFPVBQESA-N 1 2 235.291 -0.861 20 0 BBADLO O=C(CCCF)NC[C@H]1C[NH+]2CCN1CC2 ZINC000612746697 360040420 /nfs/dbraw/zinc/04/04/20/360040420.db2.gz DNFYNCRUUCMYCI-JTQLQIEISA-N 1 2 229.299 -0.148 20 0 BBADLO O=C(CCCF)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000612746703 360040206 /nfs/dbraw/zinc/04/02/06/360040206.db2.gz DNFYNCRUUCMYCI-SNVBAGLBSA-N 1 2 229.299 -0.148 20 0 BBADLO Cc1nc(CC(=O)NCC[NH+]2CCC2)n[nH]1 ZINC000612844076 360106477 /nfs/dbraw/zinc/10/64/77/360106477.db2.gz NQBGWOWJPNVASJ-UHFFFAOYSA-N 1 2 223.280 -0.522 20 0 BBADLO O=C(CCCF)NCCC[N@H+]1CCNC(=O)C1 ZINC000612880593 411268803 /nfs/dbraw/zinc/26/88/03/411268803.db2.gz POWSXRSAKOMLOV-UHFFFAOYSA-N 1 2 245.298 -0.326 20 0 BBADLO O=C(CCCF)NCCC[N@@H+]1CCNC(=O)C1 ZINC000612880593 411268799 /nfs/dbraw/zinc/26/87/99/411268799.db2.gz POWSXRSAKOMLOV-UHFFFAOYSA-N 1 2 245.298 -0.326 20 0 BBADLO C[C@H](CNC(=O)C1([NH+](C)C)CC1)S(C)(=O)=O ZINC000612950747 360205448 /nfs/dbraw/zinc/20/54/48/360205448.db2.gz HDMFGGTVFFGZOH-MRVPVSSYSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@@H](CNC(=O)C1([NH+](C)C)CC1)S(C)(=O)=O ZINC000612950748 360205572 /nfs/dbraw/zinc/20/55/72/360205572.db2.gz HDMFGGTVFFGZOH-QMMMGPOBSA-N 1 2 248.348 -0.370 20 0 BBADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N2)C1 ZINC000613005924 360269534 /nfs/dbraw/zinc/26/95/34/360269534.db2.gz PDJYOSDGRKDLPU-BDAKNGLRSA-N 1 2 248.286 -0.376 20 0 BBADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@H]2CC(=O)N2)C1 ZINC000613005925 360269442 /nfs/dbraw/zinc/26/94/42/360269442.db2.gz PDJYOSDGRKDLPU-DTWKUNHWSA-N 1 2 248.286 -0.376 20 0 BBADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@@H]2CC(=O)N2)C1 ZINC000613005926 360269147 /nfs/dbraw/zinc/26/91/47/360269147.db2.gz PDJYOSDGRKDLPU-IUCAKERBSA-N 1 2 248.286 -0.376 20 0 BBADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@H]2CC(=O)N2)C1 ZINC000613005927 360269314 /nfs/dbraw/zinc/26/93/14/360269314.db2.gz PDJYOSDGRKDLPU-RKDXNWHRSA-N 1 2 248.286 -0.376 20 0 BBADLO Cn1cc(CCC(=O)Nc2cc[nH+]cc2O)nn1 ZINC000613086321 360347961 /nfs/dbraw/zinc/34/79/61/360347961.db2.gz LEENNYGHTBPXNB-UHFFFAOYSA-N 1 2 247.258 -0.091 20 0 BBADLO COC[C@@H](OC)C(=O)Nc1cc[nH+]cc1O ZINC000613086565 360347832 /nfs/dbraw/zinc/34/78/32/360347832.db2.gz PFWCCEMABOFVRB-SECBINFHSA-N 1 2 226.232 -0.191 20 0 BBADLO COC[C@H](OC)C(=O)Nc1cc[nH+]cc1O ZINC000613086566 360347316 /nfs/dbraw/zinc/34/73/16/360347316.db2.gz PFWCCEMABOFVRB-VIFPVBQESA-N 1 2 226.232 -0.191 20 0 BBADLO COc1n[nH]c(NC(=O)C2([NH+](C)C)CC2)n1 ZINC000613196348 360711178 /nfs/dbraw/zinc/71/11/78/360711178.db2.gz QPSSSPJCUJQTCT-UHFFFAOYSA-N 1 2 225.252 -0.154 20 0 BBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC(=O)N(C)C1 ZINC000613261554 361984914 /nfs/dbraw/zinc/98/49/14/361984914.db2.gz LFTUOJSBROAENM-RKDXNWHRSA-N 1 2 248.286 -0.218 20 0 BBADLO CN1CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1=O ZINC000613262032 362018366 /nfs/dbraw/zinc/01/83/66/362018366.db2.gz WRSBRQIRYZZOGJ-MRVPVSSYSA-N 1 2 248.286 -0.227 20 0 BBADLO CN1CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1=O ZINC000613262032 362018358 /nfs/dbraw/zinc/01/83/58/362018358.db2.gz WRSBRQIRYZZOGJ-MRVPVSSYSA-N 1 2 248.286 -0.227 20 0 BBADLO CN1CN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1=O ZINC000613262036 362018293 /nfs/dbraw/zinc/01/82/93/362018293.db2.gz WRSBRQIRYZZOGJ-QMMMGPOBSA-N 1 2 248.286 -0.227 20 0 BBADLO CN1CN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1=O ZINC000613262036 362018288 /nfs/dbraw/zinc/01/82/88/362018288.db2.gz WRSBRQIRYZZOGJ-QMMMGPOBSA-N 1 2 248.286 -0.227 20 0 BBADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1CC(=O)N1)CC2 ZINC000613401200 363168436 /nfs/dbraw/zinc/16/84/36/363168436.db2.gz JXRSDBACADNITN-MRVPVSSYSA-N 1 2 234.259 -0.578 20 0 BBADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H]1CC(=O)N1)CC2 ZINC000613401201 363168080 /nfs/dbraw/zinc/16/80/80/363168080.db2.gz JXRSDBACADNITN-QMMMGPOBSA-N 1 2 234.259 -0.578 20 0 BBADLO Cn1c[nH+]cc1CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000613413584 363188643 /nfs/dbraw/zinc/18/86/43/363188643.db2.gz SSKDDMKJMHOBEP-URLYPYJESA-N 1 2 235.287 -0.029 20 0 BBADLO Cn1c[nH+]cc1CCNC(=O)[C@@H](O)C1CC1 ZINC000613414349 363190629 /nfs/dbraw/zinc/19/06/29/363190629.db2.gz WKIRTRZJJHEYKF-JTQLQIEISA-N 1 2 223.276 -0.150 20 0 BBADLO Cn1c[nH+]cc1CCNC(=O)[C@H](O)C1CC1 ZINC000613414361 363190589 /nfs/dbraw/zinc/19/05/89/363190589.db2.gz WKIRTRZJJHEYKF-SNVBAGLBSA-N 1 2 223.276 -0.150 20 0 BBADLO CCNC(=O)C[N@@H+](C)CC(=O)N1CCC1 ZINC000613488263 363461283 /nfs/dbraw/zinc/46/12/83/363461283.db2.gz XBWZLYNNFXZAFA-UHFFFAOYSA-N 1 2 213.281 -0.713 20 0 BBADLO CCNC(=O)C[N@H+](C)CC(=O)N1CCC1 ZINC000613488263 363461277 /nfs/dbraw/zinc/46/12/77/363461277.db2.gz XBWZLYNNFXZAFA-UHFFFAOYSA-N 1 2 213.281 -0.713 20 0 BBADLO CNC(=O)[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000613525146 363474026 /nfs/dbraw/zinc/47/40/26/363474026.db2.gz HDJLPOOUBJVCKA-SECBINFHSA-N 1 2 236.275 -0.380 20 0 BBADLO CNC(=O)[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000613525157 363474210 /nfs/dbraw/zinc/47/42/10/363474210.db2.gz HDJLPOOUBJVCKA-VIFPVBQESA-N 1 2 236.275 -0.380 20 0 BBADLO CC[C@H](NC(=O)[C@@H]1CC(=O)N1)c1[nH]cc[nH+]1 ZINC000613578559 363521945 /nfs/dbraw/zinc/52/19/45/363521945.db2.gz CPAGIHVEIFMIEG-BQBZGAKWSA-N 1 2 222.248 -0.135 20 0 BBADLO CC[C@H](NC(=O)[C@H]1CC(=O)N1)c1[nH]cc[nH+]1 ZINC000613578568 363521438 /nfs/dbraw/zinc/52/14/38/363521438.db2.gz CPAGIHVEIFMIEG-NKWVEPMBSA-N 1 2 222.248 -0.135 20 0 BBADLO CC[C@@H](NC(=O)[C@H]1CC(=O)N1)c1[nH]cc[nH+]1 ZINC000613578570 363521417 /nfs/dbraw/zinc/52/14/17/363521417.db2.gz CPAGIHVEIFMIEG-RNFRBKRXSA-N 1 2 222.248 -0.135 20 0 BBADLO CC[C@@H](NC(=O)[C@@H]1CC(=O)N1)c1[nH]cc[nH+]1 ZINC000613578571 363521211 /nfs/dbraw/zinc/52/12/11/363521211.db2.gz CPAGIHVEIFMIEG-RQJHMYQMSA-N 1 2 222.248 -0.135 20 0 BBADLO Cc1nc(CC(=O)NC2C[NH+](C(C)C)C2)n[nH]1 ZINC000613655488 363577294 /nfs/dbraw/zinc/57/72/94/363577294.db2.gz NPNDEVZIDSBEPK-UHFFFAOYSA-N 1 2 237.307 -0.136 20 0 BBADLO CO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000613813206 363647329 /nfs/dbraw/zinc/64/73/29/363647329.db2.gz YVSZPBQFOSQMPY-JTQLQIEISA-N 1 2 225.248 -0.286 20 0 BBADLO CO[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000613813207 363647168 /nfs/dbraw/zinc/64/71/68/363647168.db2.gz YVSZPBQFOSQMPY-SNVBAGLBSA-N 1 2 225.248 -0.286 20 0 BBADLO CO[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC000613815490 363647826 /nfs/dbraw/zinc/64/78/26/363647826.db2.gz ZAAQYYDYINWGKX-LLVKDONJSA-N 1 2 239.275 -0.206 20 0 BBADLO CO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC000613815491 363648302 /nfs/dbraw/zinc/64/83/02/363648302.db2.gz ZAAQYYDYINWGKX-NSHDSACASA-N 1 2 239.275 -0.206 20 0 BBADLO CCNC(=O)C[N@@H+](C)[C@H](C)C(=O)NC1CC1 ZINC000614344479 363789480 /nfs/dbraw/zinc/78/94/80/363789480.db2.gz PDJJUFZFLPABAL-MRVPVSSYSA-N 1 2 227.308 -0.279 20 0 BBADLO CCNC(=O)C[N@H+](C)[C@H](C)C(=O)NC1CC1 ZINC000614344479 363789477 /nfs/dbraw/zinc/78/94/77/363789477.db2.gz PDJJUFZFLPABAL-MRVPVSSYSA-N 1 2 227.308 -0.279 20 0 BBADLO CCNC(=O)C[N@@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC000614344480 363789246 /nfs/dbraw/zinc/78/92/46/363789246.db2.gz PDJJUFZFLPABAL-QMMMGPOBSA-N 1 2 227.308 -0.279 20 0 BBADLO CCNC(=O)C[N@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC000614344480 363789243 /nfs/dbraw/zinc/78/92/43/363789243.db2.gz PDJJUFZFLPABAL-QMMMGPOBSA-N 1 2 227.308 -0.279 20 0 BBADLO CCNC(=O)C[N@@H+](C)CC(=O)N(C)CC ZINC000614344880 363782859 /nfs/dbraw/zinc/78/28/59/363782859.db2.gz SWZLUOFHXRSNOD-UHFFFAOYSA-N 1 2 215.297 -0.467 20 0 BBADLO CCNC(=O)C[N@H+](C)CC(=O)N(C)CC ZINC000614344880 363782853 /nfs/dbraw/zinc/78/28/53/363782853.db2.gz SWZLUOFHXRSNOD-UHFFFAOYSA-N 1 2 215.297 -0.467 20 0 BBADLO C[NH+](C)C1(C(=O)NCCCc2nc[nH]n2)CC1 ZINC000614362557 363792979 /nfs/dbraw/zinc/79/29/79/363792979.db2.gz STGUQNNAOZFXFH-UHFFFAOYSA-N 1 2 237.307 -0.052 20 0 BBADLO O=C(CCCF)N[C@H](CO)C[NH+]1CCOCC1 ZINC000614413677 363808049 /nfs/dbraw/zinc/80/80/49/363808049.db2.gz SAWQAPLYXFMAOA-JTQLQIEISA-N 1 2 248.298 -0.455 20 0 BBADLO O=C(CCCF)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000614413680 363808188 /nfs/dbraw/zinc/80/81/88/363808188.db2.gz SAWQAPLYXFMAOA-SNVBAGLBSA-N 1 2 248.298 -0.455 20 0 BBADLO COC(=O)C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000614419912 363809080 /nfs/dbraw/zinc/80/90/80/363809080.db2.gz CETWBVGAQSWLCE-MRVPVSSYSA-N 1 2 210.237 -0.302 20 0 BBADLO COC(=O)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000614419912 363809077 /nfs/dbraw/zinc/80/90/77/363809077.db2.gz CETWBVGAQSWLCE-MRVPVSSYSA-N 1 2 210.237 -0.302 20 0 BBADLO COC(=O)C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000614419913 363809121 /nfs/dbraw/zinc/80/91/21/363809121.db2.gz CETWBVGAQSWLCE-QMMMGPOBSA-N 1 2 210.237 -0.302 20 0 BBADLO COC(=O)C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000614419913 363809119 /nfs/dbraw/zinc/80/91/19/363809119.db2.gz CETWBVGAQSWLCE-QMMMGPOBSA-N 1 2 210.237 -0.302 20 0 BBADLO CCC1(O)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000614544725 363842143 /nfs/dbraw/zinc/84/21/43/363842143.db2.gz AODUNEUGAROHFV-UHFFFAOYSA-N 1 2 223.276 -0.054 20 0 BBADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CC(=O)N1 ZINC000614700045 363930349 /nfs/dbraw/zinc/93/03/49/363930349.db2.gz CNDKTGGUKXCANS-APPZFPTMSA-N 1 2 234.259 -0.797 20 0 BBADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CC(=O)N1 ZINC000614700048 363929884 /nfs/dbraw/zinc/92/98/84/363929884.db2.gz CNDKTGGUKXCANS-CBAPKCEASA-N 1 2 234.259 -0.797 20 0 BBADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@H]1CC(=O)N1 ZINC000614700050 363930333 /nfs/dbraw/zinc/93/03/33/363930333.db2.gz CNDKTGGUKXCANS-IONNQARKSA-N 1 2 234.259 -0.797 20 0 BBADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CC(=O)N1 ZINC000614700052 363930217 /nfs/dbraw/zinc/93/02/17/363930217.db2.gz CNDKTGGUKXCANS-VXNVDRBHSA-N 1 2 234.259 -0.797 20 0 BBADLO Cc1nc(N)c(CNC(=O)[C@H](O)C2CC2)c[nH+]1 ZINC000614740207 411985360 /nfs/dbraw/zinc/98/53/60/411985360.db2.gz CDLBKDHQGPFFQL-SECBINFHSA-N 1 2 236.275 -0.246 20 0 BBADLO Cc1nc(N)c(CNC(=O)[C@@H](O)C2CC2)c[nH+]1 ZINC000614740208 411985859 /nfs/dbraw/zinc/98/58/59/411985859.db2.gz CDLBKDHQGPFFQL-VIFPVBQESA-N 1 2 236.275 -0.246 20 0 BBADLO Cc1nc(N)c(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)c[nH+]1 ZINC000614740966 411911649 /nfs/dbraw/zinc/91/16/49/411911649.db2.gz ILYIETJYKSBHBC-MYJAWHEDSA-N 1 2 248.286 -0.124 20 0 BBADLO CN(C(=O)Cn1cc[nH+]c1)C1(CO)CC1 ZINC000614768458 363959606 /nfs/dbraw/zinc/95/96/06/363959606.db2.gz FIYDAOOCTRKSTN-UHFFFAOYSA-N 1 2 209.249 -0.134 20 0 BBADLO O=C(Cn1cc[nH+]c1)NCCCc1cc(=O)[nH][nH]1 ZINC000614914889 364072917 /nfs/dbraw/zinc/07/29/17/364072917.db2.gz PITXMGOXSDQQQC-UHFFFAOYSA-N 1 2 249.274 -0.345 20 0 BBADLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1nnc2[nH]cnn12 ZINC000614991148 364277397 /nfs/dbraw/zinc/27/73/97/364277397.db2.gz ODSKSPLZWISFPY-SSDOTTSWSA-N 1 2 249.278 -0.125 20 0 BBADLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1nnc2[nH]cnn12 ZINC000614991148 364277391 /nfs/dbraw/zinc/27/73/91/364277391.db2.gz ODSKSPLZWISFPY-SSDOTTSWSA-N 1 2 249.278 -0.125 20 0 BBADLO C[N@H+]1CCCC[C@H]1C(=O)Nc1nnc2[nH]cnn12 ZINC000614991149 364277138 /nfs/dbraw/zinc/27/71/38/364277138.db2.gz ODSKSPLZWISFPY-ZETCQYMHSA-N 1 2 249.278 -0.125 20 0 BBADLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1nnc2[nH]cnn12 ZINC000614991149 364277132 /nfs/dbraw/zinc/27/71/32/364277132.db2.gz ODSKSPLZWISFPY-ZETCQYMHSA-N 1 2 249.278 -0.125 20 0 BBADLO CC1(C)C[NH+](CC(=O)Nc2nnc3[nH]cnn23)C1 ZINC000614994313 364289207 /nfs/dbraw/zinc/28/92/07/364289207.db2.gz QAXCTFZNLLQNBR-UHFFFAOYSA-N 1 2 249.278 -0.267 20 0 BBADLO O=C([C@H]1CC(=O)N1)N1CCn2c[nH+]cc2C1 ZINC000615038963 364405517 /nfs/dbraw/zinc/40/55/17/364405517.db2.gz CNELSWRBNYIHGG-MRVPVSSYSA-N 1 2 220.232 -0.886 20 0 BBADLO O=C([C@@H]1CC(=O)N1)N1CCn2c[nH+]cc2C1 ZINC000615038964 364405110 /nfs/dbraw/zinc/40/51/10/364405110.db2.gz CNELSWRBNYIHGG-QMMMGPOBSA-N 1 2 220.232 -0.886 20 0 BBADLO CN1C[C@H](C(=O)N2CCn3c[nH+]cc3C2)NC1=O ZINC000615039244 364406944 /nfs/dbraw/zinc/40/69/44/364406944.db2.gz HBLQEPAVHSJBSQ-SECBINFHSA-N 1 2 249.274 -0.751 20 0 BBADLO CN1C[C@@H](C(=O)N2CCn3c[nH+]cc3C2)NC1=O ZINC000615039245 364407260 /nfs/dbraw/zinc/40/72/60/364407260.db2.gz HBLQEPAVHSJBSQ-VIFPVBQESA-N 1 2 249.274 -0.751 20 0 BBADLO COC[C@H](OC)C(=O)N1CCn2c[nH+]cc2C1 ZINC000615039771 364406533 /nfs/dbraw/zinc/40/65/33/364406533.db2.gz RAOVQDYFKGWVIX-JTQLQIEISA-N 1 2 239.275 -0.113 20 0 BBADLO COC[C@@H](OC)C(=O)N1CCn2c[nH+]cc2C1 ZINC000615039772 364406960 /nfs/dbraw/zinc/40/69/60/364406960.db2.gz RAOVQDYFKGWVIX-SNVBAGLBSA-N 1 2 239.275 -0.113 20 0 BBADLO O=C([C@@H](O)C1CC1)N1CCn2c[nH+]cc2C1 ZINC000615039848 364406809 /nfs/dbraw/zinc/40/68/09/364406809.db2.gz UEHFLGITHNOHJU-JTQLQIEISA-N 1 2 221.260 -0.004 20 0 BBADLO O=C([C@H](O)C1CC1)N1CCn2c[nH+]cc2C1 ZINC000615039849 364407359 /nfs/dbraw/zinc/40/73/59/364407359.db2.gz UEHFLGITHNOHJU-SNVBAGLBSA-N 1 2 221.260 -0.004 20 0 BBADLO C[C@@H](NC(=O)[C@H]1CN(C)C(=O)N1)c1[nH]cc[nH+]1 ZINC000615157300 364548128 /nfs/dbraw/zinc/54/81/28/364548128.db2.gz BJCXLJLSKDQGJM-RNFRBKRXSA-N 1 2 237.263 -0.390 20 0 BBADLO C[C@@H](NC(=O)[C@@H]1CN(C)C(=O)N1)c1[nH]cc[nH+]1 ZINC000615157302 364547959 /nfs/dbraw/zinc/54/79/59/364547959.db2.gz BJCXLJLSKDQGJM-RQJHMYQMSA-N 1 2 237.263 -0.390 20 0 BBADLO C[C@@H](NC(=O)C1(n2cnnn2)CC1)c1[nH]cc[nH+]1 ZINC000615157754 364547938 /nfs/dbraw/zinc/54/79/38/364547938.db2.gz GMNRSMJCQQNVHY-SSDOTTSWSA-N 1 2 247.262 -0.237 20 0 BBADLO COC[C@@](C)(O)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000615158738 364552295 /nfs/dbraw/zinc/55/22/95/364552295.db2.gz ABPMWJGRXVVJLU-GMSGAONNSA-N 1 2 227.264 -0.016 20 0 BBADLO COC[C@](C)(O)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000615158739 364552642 /nfs/dbraw/zinc/55/26/42/364552642.db2.gz ABPMWJGRXVVJLU-XCBNKYQSSA-N 1 2 227.264 -0.016 20 0 BBADLO COc1cc[nH+]cc1CNC(=O)[C@@H]1CCNC1=O ZINC000615232717 364648719 /nfs/dbraw/zinc/64/87/19/364648719.db2.gz AOBVNHGJBLNMCJ-SECBINFHSA-N 1 2 249.270 -0.158 20 0 BBADLO COc1cc[nH+]cc1CNC(=O)[C@H]1CCNC1=O ZINC000615232718 364648463 /nfs/dbraw/zinc/64/84/63/364648463.db2.gz AOBVNHGJBLNMCJ-VIFPVBQESA-N 1 2 249.270 -0.158 20 0 BBADLO COc1cc[nH+]cc1CNC(=O)[C@H]1CC(=O)N1 ZINC000615234230 364649715 /nfs/dbraw/zinc/64/97/15/364649715.db2.gz WRFSHSDYGMUDLH-MRVPVSSYSA-N 1 2 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224.264 -0.294 20 0 BBADLO Cn1c[nH+]cc1CCC(=O)N1CCOCCN1 ZINC000615497561 368073439 /nfs/dbraw/zinc/07/34/39/368073439.db2.gz OJTPCWVONDIQKQ-UHFFFAOYSA-N 1 2 238.291 -0.284 20 0 BBADLO Cn1c[nH+]cc1CC(=O)N1CCOCCN1 ZINC000615497850 368073794 /nfs/dbraw/zinc/07/37/94/368073794.db2.gz RWXQIMGZOLFBLU-UHFFFAOYSA-N 1 2 224.264 -0.674 20 0 BBADLO Cc1[nH+]c[nH]c1CC(=O)N1CCOCCN1 ZINC000615499769 368076015 /nfs/dbraw/zinc/07/60/15/368076015.db2.gz PYAPVFPYNPARGV-UHFFFAOYSA-N 1 2 224.264 -0.376 20 0 BBADLO O=C(CCc1[nH]cc[nH+]1)N1CCOCCN1 ZINC000615500011 368076975 /nfs/dbraw/zinc/07/69/75/368076975.db2.gz SFCOBHMLGSBAAE-UHFFFAOYSA-N 1 2 224.264 -0.294 20 0 BBADLO CC1(C)C[NH+](CC(=O)N2CCOCCN2)C1 ZINC000615504361 368080679 /nfs/dbraw/zinc/08/06/79/368080679.db2.gz UYIKCZKPVYTXEQ-UHFFFAOYSA-N 1 2 227.308 -0.308 20 0 BBADLO C[C@@H](O)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615542333 368100158 /nfs/dbraw/zinc/10/01/58/368100158.db2.gz DFKHYGCPDCEXHD-GHMZBOCLSA-N 1 2 242.319 -0.310 20 0 BBADLO 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CCn1cc[nH+]c1CNC(=O)[C@@H]1CC(=O)N1 ZINC000615710743 368219191 /nfs/dbraw/zinc/21/91/91/368219191.db2.gz RXQZKGLQQJLQNH-ZETCQYMHSA-N 1 2 222.248 -0.592 20 0 BBADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCOC1 ZINC000615753833 368260466 /nfs/dbraw/zinc/26/04/66/368260466.db2.gz ZHJMNMTVXPWLQJ-UHFFFAOYSA-N 1 2 243.307 -0.741 20 0 BBADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCOC1 ZINC000615753833 368260461 /nfs/dbraw/zinc/26/04/61/368260461.db2.gz ZHJMNMTVXPWLQJ-UHFFFAOYSA-N 1 2 243.307 -0.741 20 0 BBADLO C[C@@H](C(=O)N1CCOC1)[NH+]1CCN(C)CC1 ZINC000615758521 368270585 /nfs/dbraw/zinc/27/05/85/368270585.db2.gz ROOCKMQKJLFUSJ-JTQLQIEISA-N 1 2 227.308 -0.561 20 0 BBADLO C[C@H](C(=O)N1CCOC1)[NH+]1CCN(C)CC1 ZINC000615758522 368270692 /nfs/dbraw/zinc/27/06/92/368270692.db2.gz ROOCKMQKJLFUSJ-SNVBAGLBSA-N 1 2 227.308 -0.561 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)N2CCOC2)C1 ZINC000615758634 368270265 /nfs/dbraw/zinc/27/02/65/368270265.db2.gz RPRPVZXMNFQSMQ-MRVPVSSYSA-N 1 2 200.238 -0.867 20 0 BBADLO 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CC[N@@H+]1CCOC[C@H]1C(=O)N1CCOC1 ZINC000615762068 368279938 /nfs/dbraw/zinc/27/99/38/368279938.db2.gz DMRANWYVKOIYLE-VIFPVBQESA-N 1 2 214.265 -0.477 20 0 BBADLO CN(C)[C@H](C(=O)N1CCOC1)c1c[nH+]cn1C ZINC000615766513 368296480 /nfs/dbraw/zinc/29/64/80/368296480.db2.gz UGVPZESWWCCSJJ-JTQLQIEISA-N 1 2 238.291 -0.161 20 0 BBADLO CN(C)[C@@H](C(=O)N1CCOC1)c1c[nH+]cn1C ZINC000615766514 368296320 /nfs/dbraw/zinc/29/63/20/368296320.db2.gz UGVPZESWWCCSJJ-SNVBAGLBSA-N 1 2 238.291 -0.161 20 0 BBADLO CC(C)(C(=O)N1CCOC1)[NH+]1CCOCC1 ZINC000615766770 368296527 /nfs/dbraw/zinc/29/65/27/368296527.db2.gz ZEJYROUSEIJTKO-UHFFFAOYSA-N 1 2 228.292 -0.087 20 0 BBADLO O=C(Cn1cc[nH+]c1)N1CCC12COC2 ZINC000615920569 368665693 /nfs/dbraw/zinc/66/56/93/368665693.db2.gz BSCORWLQGZNUTF-UHFFFAOYSA-N 1 2 207.233 -0.116 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC12COC2 ZINC000615924351 368677333 /nfs/dbraw/zinc/67/73/33/368677333.db2.gz YDPADHDLHMLECH-JTQLQIEISA-N 1 2 240.303 -0.292 20 0 BBADLO 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WXQYVXBITWXQBV-DTWKUNHWSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](C)C1)S(C)(=O)=O ZINC000617415014 352623483 /nfs/dbraw/zinc/62/34/83/352623483.db2.gz WXQYVXBITWXQBV-IUCAKERBSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@@H](C(=O)N[C@H]1CCC[N@H+](C)C1)S(C)(=O)=O ZINC000617415014 352623479 /nfs/dbraw/zinc/62/34/79/352623479.db2.gz WXQYVXBITWXQBV-IUCAKERBSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](C)C1)S(C)(=O)=O ZINC000617415015 352623355 /nfs/dbraw/zinc/62/33/55/352623355.db2.gz WXQYVXBITWXQBV-RKDXNWHRSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)S(C)(=O)=O ZINC000617415015 352623350 /nfs/dbraw/zinc/62/33/50/352623350.db2.gz WXQYVXBITWXQBV-RKDXNWHRSA-N 1 2 248.348 -0.370 20 0 BBADLO COCC1(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000617471624 352718833 /nfs/dbraw/zinc/71/88/33/352718833.db2.gz NXPUDWCOSVNNCD-JTQLQIEISA-N 1 2 242.319 -0.046 20 0 BBADLO COCC1(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000617471624 352718831 /nfs/dbraw/zinc/71/88/31/352718831.db2.gz NXPUDWCOSVNNCD-JTQLQIEISA-N 1 2 242.319 -0.046 20 0 BBADLO COCC1(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000617471625 352718921 /nfs/dbraw/zinc/71/89/21/352718921.db2.gz NXPUDWCOSVNNCD-SNVBAGLBSA-N 1 2 242.319 -0.046 20 0 BBADLO COCC1(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000617471625 352718919 /nfs/dbraw/zinc/71/89/19/352718919.db2.gz NXPUDWCOSVNNCD-SNVBAGLBSA-N 1 2 242.319 -0.046 20 0 BBADLO CCN(C(=O)CS(C)(=O)=O)[C@@H]1CC[N@@H+](C)C1 ZINC000617556338 356117559 /nfs/dbraw/zinc/11/75/59/356117559.db2.gz OICHZMCQVGHQRW-SECBINFHSA-N 1 2 248.348 -0.416 20 0 BBADLO CCN(C(=O)CS(C)(=O)=O)[C@@H]1CC[N@H+](C)C1 ZINC000617556338 356117556 /nfs/dbraw/zinc/11/75/56/356117556.db2.gz OICHZMCQVGHQRW-SECBINFHSA-N 1 2 248.348 -0.416 20 0 BBADLO CCN(C(=O)CS(C)(=O)=O)[C@H]1CC[N@@H+](C)C1 ZINC000617556339 356117800 /nfs/dbraw/zinc/11/78/00/356117800.db2.gz OICHZMCQVGHQRW-VIFPVBQESA-N 1 2 248.348 -0.416 20 0 BBADLO CCN(C(=O)CS(C)(=O)=O)[C@H]1CC[N@H+](C)C1 ZINC000617556339 356117798 /nfs/dbraw/zinc/11/77/98/356117798.db2.gz OICHZMCQVGHQRW-VIFPVBQESA-N 1 2 248.348 -0.416 20 0 BBADLO CC(C)(C(=O)NC/C=C\CO)[NH+]1CCOCC1 ZINC000617683223 356274544 /nfs/dbraw/zinc/27/45/44/356274544.db2.gz ACFCOQXTHMTDPA-ARJAWSKDSA-N 1 2 242.319 -0.238 20 0 BBADLO CC(C)(C(=O)NC/C=C/CO)[NH+]1CCOCC1 ZINC000617683224 356274665 /nfs/dbraw/zinc/27/46/65/356274665.db2.gz ACFCOQXTHMTDPA-ONEGZZNKSA-N 1 2 242.319 -0.238 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)NC/C=C/CO ZINC000617685189 356283701 /nfs/dbraw/zinc/28/37/01/356283701.db2.gz LCRHUWPVDNANRA-FSIBCCDJSA-N 1 2 228.292 -0.628 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)NC/C=C/CO ZINC000617685189 356283698 /nfs/dbraw/zinc/28/36/98/356283698.db2.gz LCRHUWPVDNANRA-FSIBCCDJSA-N 1 2 228.292 -0.628 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)NC/C=C/CO ZINC000617685190 356283380 /nfs/dbraw/zinc/28/33/80/356283380.db2.gz LCRHUWPVDNANRA-HMDXOVGESA-N 1 2 228.292 -0.628 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NC/C=C/CO ZINC000617685190 356283375 /nfs/dbraw/zinc/28/33/75/356283375.db2.gz LCRHUWPVDNANRA-HMDXOVGESA-N 1 2 228.292 -0.628 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)NC/C=C\CO ZINC000617685191 356283713 /nfs/dbraw/zinc/28/37/13/356283713.db2.gz LCRHUWPVDNANRA-UMBAGQNISA-N 1 2 228.292 -0.628 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NC/C=C\CO ZINC000617685191 356283709 /nfs/dbraw/zinc/28/37/09/356283709.db2.gz LCRHUWPVDNANRA-UMBAGQNISA-N 1 2 228.292 -0.628 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)NC/C=C\CO ZINC000617685192 356283510 /nfs/dbraw/zinc/28/35/10/356283510.db2.gz LCRHUWPVDNANRA-XOULXFPDSA-N 1 2 228.292 -0.628 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)NC/C=C\CO ZINC000617685192 356283508 /nfs/dbraw/zinc/28/35/08/356283508.db2.gz LCRHUWPVDNANRA-XOULXFPDSA-N 1 2 228.292 -0.628 20 0 BBADLO C[C@H](O)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617724953 356301248 /nfs/dbraw/zinc/30/12/48/356301248.db2.gz FIGCKTKMXWWOKH-AEJSXWLSSA-N 1 2 230.308 -0.407 20 0 BBADLO C[C@H](O)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617724953 356301245 /nfs/dbraw/zinc/30/12/45/356301245.db2.gz FIGCKTKMXWWOKH-AEJSXWLSSA-N 1 2 230.308 -0.407 20 0 BBADLO C[C@H](O)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617724954 356301489 /nfs/dbraw/zinc/30/14/89/356301489.db2.gz FIGCKTKMXWWOKH-BBBLOLIVSA-N 1 2 230.308 -0.407 20 0 BBADLO C[C@H](O)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617724954 356301486 /nfs/dbraw/zinc/30/14/86/356301486.db2.gz FIGCKTKMXWWOKH-BBBLOLIVSA-N 1 2 230.308 -0.407 20 0 BBADLO C[C@H](O)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617724955 356301203 /nfs/dbraw/zinc/30/12/03/356301203.db2.gz FIGCKTKMXWWOKH-GUBZILKMSA-N 1 2 230.308 -0.407 20 0 BBADLO C[C@H](O)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617724955 356301200 /nfs/dbraw/zinc/30/12/00/356301200.db2.gz FIGCKTKMXWWOKH-GUBZILKMSA-N 1 2 230.308 -0.407 20 0 BBADLO C[C@@H](O)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617724956 356300963 /nfs/dbraw/zinc/30/09/63/356300963.db2.gz FIGCKTKMXWWOKH-IVZWLZJFSA-N 1 2 230.308 -0.407 20 0 BBADLO C[C@@H](O)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617724956 356300959 /nfs/dbraw/zinc/30/09/59/356300959.db2.gz FIGCKTKMXWWOKH-IVZWLZJFSA-N 1 2 230.308 -0.407 20 0 BBADLO C[C@@H](O)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617724957 356301149 /nfs/dbraw/zinc/30/11/49/356301149.db2.gz FIGCKTKMXWWOKH-KXUCPTDWSA-N 1 2 230.308 -0.407 20 0 BBADLO C[C@@H](O)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617724957 356301145 /nfs/dbraw/zinc/30/11/45/356301145.db2.gz FIGCKTKMXWWOKH-KXUCPTDWSA-N 1 2 230.308 -0.407 20 0 BBADLO C[C@@H](O)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617724958 356301131 /nfs/dbraw/zinc/30/11/31/356301131.db2.gz FIGCKTKMXWWOKH-LPEHRKFASA-N 1 2 230.308 -0.407 20 0 BBADLO C[C@@H](O)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617724958 356301127 /nfs/dbraw/zinc/30/11/27/356301127.db2.gz FIGCKTKMXWWOKH-LPEHRKFASA-N 1 2 230.308 -0.407 20 0 BBADLO C[C@@H](O)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617724959 356301574 /nfs/dbraw/zinc/30/15/74/356301574.db2.gz FIGCKTKMXWWOKH-OPRDCNLKSA-N 1 2 230.308 -0.407 20 0 BBADLO C[C@@H](O)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617724959 356301573 /nfs/dbraw/zinc/30/15/73/356301573.db2.gz FIGCKTKMXWWOKH-OPRDCNLKSA-N 1 2 230.308 -0.407 20 0 BBADLO C[C@H](O)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617724960 356301592 /nfs/dbraw/zinc/30/15/92/356301592.db2.gz FIGCKTKMXWWOKH-UTLUCORTSA-N 1 2 230.308 -0.407 20 0 BBADLO C[C@H](O)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617724960 356301589 /nfs/dbraw/zinc/30/15/89/356301589.db2.gz FIGCKTKMXWWOKH-UTLUCORTSA-N 1 2 230.308 -0.407 20 0 BBADLO C[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)O)[C@H](C)CO1 ZINC000617725555 356300080 /nfs/dbraw/zinc/30/00/80/356300080.db2.gz LTHDRKOSTHETLX-NXEZZACHSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@@H]1C[N@H+](CCNC(=O)C(C)(C)O)[C@H](C)CO1 ZINC000617725555 356300079 /nfs/dbraw/zinc/30/00/79/356300079.db2.gz LTHDRKOSTHETLX-NXEZZACHSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@H]1C[N@@H+](CCNC(=O)C(C)(C)O)[C@@H](C)CO1 ZINC000617725556 356300114 /nfs/dbraw/zinc/30/01/14/356300114.db2.gz LTHDRKOSTHETLX-UWVGGRQHSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@H]1C[N@H+](CCNC(=O)C(C)(C)O)[C@@H](C)CO1 ZINC000617725556 356300113 /nfs/dbraw/zinc/30/01/13/356300113.db2.gz LTHDRKOSTHETLX-UWVGGRQHSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)O)[C@@H](C)CO1 ZINC000617725557 356299821 /nfs/dbraw/zinc/29/98/21/356299821.db2.gz LTHDRKOSTHETLX-VHSXEESVSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@@H]1C[N@H+](CCNC(=O)C(C)(C)O)[C@@H](C)CO1 ZINC000617725557 356299819 /nfs/dbraw/zinc/29/98/19/356299819.db2.gz LTHDRKOSTHETLX-VHSXEESVSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C(C)(C)O ZINC000617725558 356299859 /nfs/dbraw/zinc/29/98/59/356299859.db2.gz LTHDRKOSTHETLX-ZJUUUORDSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C(C)(C)O ZINC000617725558 356299856 /nfs/dbraw/zinc/29/98/56/356299856.db2.gz LTHDRKOSTHETLX-ZJUUUORDSA-N 1 2 244.335 -0.017 20 0 BBADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CO ZINC000617728832 356300779 /nfs/dbraw/zinc/30/07/79/356300779.db2.gz YXFSJBWRKVBMLO-BDAKNGLRSA-N 1 2 216.281 -0.796 20 0 BBADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CO ZINC000617728832 356300777 /nfs/dbraw/zinc/30/07/77/356300777.db2.gz YXFSJBWRKVBMLO-BDAKNGLRSA-N 1 2 216.281 -0.796 20 0 BBADLO C[C@@H]1C[N@@H+](CCNC(=O)CO)[C@@H](C)CO1 ZINC000617728833 356300601 /nfs/dbraw/zinc/30/06/01/356300601.db2.gz YXFSJBWRKVBMLO-DTWKUNHWSA-N 1 2 216.281 -0.796 20 0 BBADLO C[C@@H]1C[N@H+](CCNC(=O)CO)[C@@H](C)CO1 ZINC000617728833 356300597 /nfs/dbraw/zinc/30/05/97/356300597.db2.gz YXFSJBWRKVBMLO-DTWKUNHWSA-N 1 2 216.281 -0.796 20 0 BBADLO C[C@H]1C[N@@H+](CCNC(=O)CO)[C@@H](C)CO1 ZINC000617728834 356300858 /nfs/dbraw/zinc/30/08/58/356300858.db2.gz YXFSJBWRKVBMLO-IUCAKERBSA-N 1 2 216.281 -0.796 20 0 BBADLO C[C@H]1C[N@H+](CCNC(=O)CO)[C@@H](C)CO1 ZINC000617728834 356300856 /nfs/dbraw/zinc/30/08/56/356300856.db2.gz YXFSJBWRKVBMLO-IUCAKERBSA-N 1 2 216.281 -0.796 20 0 BBADLO C[C@@H]1C[N@@H+](CCNC(=O)CO)[C@H](C)CO1 ZINC000617728835 356300542 /nfs/dbraw/zinc/30/05/42/356300542.db2.gz YXFSJBWRKVBMLO-RKDXNWHRSA-N 1 2 216.281 -0.796 20 0 BBADLO C[C@@H]1C[N@H+](CCNC(=O)CO)[C@H](C)CO1 ZINC000617728835 356300539 /nfs/dbraw/zinc/30/05/39/356300539.db2.gz YXFSJBWRKVBMLO-RKDXNWHRSA-N 1 2 216.281 -0.796 20 0 BBADLO COCC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617742995 356305599 /nfs/dbraw/zinc/30/55/99/356305599.db2.gz DSARFOLHDFMDBL-NXEZZACHSA-N 1 2 230.308 -0.142 20 0 BBADLO COCC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617742995 356305595 /nfs/dbraw/zinc/30/55/95/356305595.db2.gz DSARFOLHDFMDBL-NXEZZACHSA-N 1 2 230.308 -0.142 20 0 BBADLO COCC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617742996 356305222 /nfs/dbraw/zinc/30/52/22/356305222.db2.gz DSARFOLHDFMDBL-UWVGGRQHSA-N 1 2 230.308 -0.142 20 0 BBADLO COCC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617742996 356305218 /nfs/dbraw/zinc/30/52/18/356305218.db2.gz DSARFOLHDFMDBL-UWVGGRQHSA-N 1 2 230.308 -0.142 20 0 BBADLO COCC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617742997 356305315 /nfs/dbraw/zinc/30/53/15/356305315.db2.gz DSARFOLHDFMDBL-VHSXEESVSA-N 1 2 230.308 -0.142 20 0 BBADLO COCC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617742997 356305311 /nfs/dbraw/zinc/30/53/11/356305311.db2.gz DSARFOLHDFMDBL-VHSXEESVSA-N 1 2 230.308 -0.142 20 0 BBADLO COCC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617742998 356305104 /nfs/dbraw/zinc/30/51/04/356305104.db2.gz DSARFOLHDFMDBL-ZJUUUORDSA-N 1 2 230.308 -0.142 20 0 BBADLO COCC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617742998 356305102 /nfs/dbraw/zinc/30/51/02/356305102.db2.gz DSARFOLHDFMDBL-ZJUUUORDSA-N 1 2 230.308 -0.142 20 0 BBADLO CN(CC1C[NH+](C)C1)C(=O)CS(C)(=O)=O ZINC000618194531 343615208 /nfs/dbraw/zinc/61/52/08/343615208.db2.gz BIJDSYYVRSJPKI-UHFFFAOYSA-N 1 2 234.321 -0.949 20 0 BBADLO CN(CC1C[NH+](C)C1)C(=O)CCS(C)(=O)=O ZINC000618195621 343628075 /nfs/dbraw/zinc/62/80/75/343628075.db2.gz REHSLONPTSWNEW-UHFFFAOYSA-N 1 2 248.348 -0.559 20 0 BBADLO CN(C[C@H]1COCCO1)C(=O)Cn1cc[nH+]c1 ZINC000618222919 344102525 /nfs/dbraw/zinc/10/25/25/344102525.db2.gz LXBLCGMOKNUFHP-JTQLQIEISA-N 1 2 239.275 -0.243 20 0 BBADLO CN(C[C@@H]1COCCO1)C(=O)Cn1cc[nH+]c1 ZINC000618222920 344102753 /nfs/dbraw/zinc/10/27/53/344102753.db2.gz LXBLCGMOKNUFHP-SNVBAGLBSA-N 1 2 239.275 -0.243 20 0 BBADLO C[C@@H]1CC[C@H](NC(=O)C[NH+](C)C)CS1(=O)=O ZINC000618317066 398284090 /nfs/dbraw/zinc/28/40/90/398284090.db2.gz MUEYAUMFXHVAHZ-BDAKNGLRSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@H]1CC[C@@H](NC(=O)C[NH+](C)C)CS1(=O)=O ZINC000618317067 398283987 /nfs/dbraw/zinc/28/39/87/398283987.db2.gz MUEYAUMFXHVAHZ-DTWKUNHWSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CS1(=O)=O ZINC000618317068 398284088 /nfs/dbraw/zinc/28/40/88/398284088.db2.gz MUEYAUMFXHVAHZ-IUCAKERBSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)C)CS1(=O)=O ZINC000618317069 398283875 /nfs/dbraw/zinc/28/38/75/398283875.db2.gz MUEYAUMFXHVAHZ-RKDXNWHRSA-N 1 2 248.348 -0.370 20 0 BBADLO C[N@H+]1CCC[C@@H](NC(=O)CS(C)(=O)=O)C1 ZINC000618666690 369192583 /nfs/dbraw/zinc/19/25/83/369192583.db2.gz ZYVPOHNAASMNHH-MRVPVSSYSA-N 1 2 234.321 -0.759 20 0 BBADLO C[N@@H+]1CCC[C@@H](NC(=O)CS(C)(=O)=O)C1 ZINC000618666690 369192580 /nfs/dbraw/zinc/19/25/80/369192580.db2.gz ZYVPOHNAASMNHH-MRVPVSSYSA-N 1 2 234.321 -0.759 20 0 BBADLO C[N@H+]1CCC[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC000618666691 369193191 /nfs/dbraw/zinc/19/31/91/369193191.db2.gz ZYVPOHNAASMNHH-QMMMGPOBSA-N 1 2 234.321 -0.759 20 0 BBADLO C[N@@H+]1CCC[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC000618666691 369193185 /nfs/dbraw/zinc/19/31/85/369193185.db2.gz ZYVPOHNAASMNHH-QMMMGPOBSA-N 1 2 234.321 -0.759 20 0 BBADLO COC(=O)[C@@H]1CN(Cc2cn(C)c[nH+]2)CCO1 ZINC000618904187 352330507 /nfs/dbraw/zinc/33/05/07/352330507.db2.gz WSELIVGBLJZQQE-JTQLQIEISA-N 1 2 239.275 -0.206 20 0 BBADLO COC(=O)[C@H]1CN(Cc2cn(C)c[nH+]2)CCO1 ZINC000618904188 352331684 /nfs/dbraw/zinc/33/16/84/352331684.db2.gz WSELIVGBLJZQQE-SNVBAGLBSA-N 1 2 239.275 -0.206 20 0 BBADLO C[C@H](O)[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000618920510 369237584 /nfs/dbraw/zinc/23/75/84/369237584.db2.gz CPKZROVHNXJWKT-AXFHLTTASA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@H](O)[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000618920510 369237581 /nfs/dbraw/zinc/23/75/81/369237581.db2.gz CPKZROVHNXJWKT-AXFHLTTASA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H](O)[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000618920522 369237712 /nfs/dbraw/zinc/23/77/12/369237712.db2.gz CPKZROVHNXJWKT-GMTAPVOTSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H](O)[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000618920522 369237705 /nfs/dbraw/zinc/23/77/05/369237705.db2.gz CPKZROVHNXJWKT-GMTAPVOTSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@H](O)[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000618920524 369237858 /nfs/dbraw/zinc/23/78/58/369237858.db2.gz CPKZROVHNXJWKT-HBNTYKKESA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@H](O)[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000618920524 369237857 /nfs/dbraw/zinc/23/78/57/369237857.db2.gz CPKZROVHNXJWKT-HBNTYKKESA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H](O)[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000618920525 369237561 /nfs/dbraw/zinc/23/75/61/369237561.db2.gz CPKZROVHNXJWKT-MXWKQRLJSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H](O)[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000618920525 369237557 /nfs/dbraw/zinc/23/75/57/369237557.db2.gz CPKZROVHNXJWKT-MXWKQRLJSA-N 1 2 242.319 -0.311 20 0 BBADLO CN1CCN(C(=O)Cn2cc[nH+]c2)CCC1=O ZINC000619059837 369270384 /nfs/dbraw/zinc/27/03/84/369270384.db2.gz NNYPFDZXIZHXQM-UHFFFAOYSA-N 1 2 236.275 -0.426 20 0 BBADLO CC1(C)C[NH+](CC(=O)NC[C@@H]2CCC(=O)N2)C1 ZINC000619136913 369294917 /nfs/dbraw/zinc/29/49/17/369294917.db2.gz NFLZXDNBQZTENL-VIFPVBQESA-N 1 2 239.319 -0.277 20 0 BBADLO Cc1[nH]c(C(=O)NC[C@@H]2CCC(=O)N2)c[nH+]1 ZINC000619142188 369298382 /nfs/dbraw/zinc/29/83/82/369298382.db2.gz MPIIIXDMLVBUIW-ZETCQYMHSA-N 1 2 222.248 -0.273 20 0 BBADLO COC(=O)C[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000619569054 369482812 /nfs/dbraw/zinc/48/28/12/369482812.db2.gz ZITRITLJEFUIGN-UHFFFAOYSA-N 1 2 240.263 -0.206 20 0 BBADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)C[C@@H](C)O ZINC000619621286 369496582 /nfs/dbraw/zinc/49/65/82/369496582.db2.gz MBMXZEQWAJXCKF-BDAKNGLRSA-N 1 2 219.281 -0.123 20 0 BBADLO CCOC[C@@H](C(=O)OC)[N@H+](C)C[C@@H](C)O ZINC000619621286 369496580 /nfs/dbraw/zinc/49/65/80/369496580.db2.gz MBMXZEQWAJXCKF-BDAKNGLRSA-N 1 2 219.281 -0.123 20 0 BBADLO CCOC[C@H](C(=O)OC)[N@@H+](C)C[C@H](C)O ZINC000619621287 369496143 /nfs/dbraw/zinc/49/61/43/369496143.db2.gz MBMXZEQWAJXCKF-DTWKUNHWSA-N 1 2 219.281 -0.123 20 0 BBADLO CCOC[C@H](C(=O)OC)[N@H+](C)C[C@H](C)O ZINC000619621287 369496140 /nfs/dbraw/zinc/49/61/40/369496140.db2.gz MBMXZEQWAJXCKF-DTWKUNHWSA-N 1 2 219.281 -0.123 20 0 BBADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)C[C@H](C)O ZINC000619621288 369496097 /nfs/dbraw/zinc/49/60/97/369496097.db2.gz MBMXZEQWAJXCKF-IUCAKERBSA-N 1 2 219.281 -0.123 20 0 BBADLO CCOC[C@@H](C(=O)OC)[N@H+](C)C[C@H](C)O ZINC000619621288 369496094 /nfs/dbraw/zinc/49/60/94/369496094.db2.gz MBMXZEQWAJXCKF-IUCAKERBSA-N 1 2 219.281 -0.123 20 0 BBADLO CCOC[C@H](C(=O)OC)[N@@H+](C)C[C@@H](C)O ZINC000619621289 369495940 /nfs/dbraw/zinc/49/59/40/369495940.db2.gz MBMXZEQWAJXCKF-RKDXNWHRSA-N 1 2 219.281 -0.123 20 0 BBADLO CCOC[C@H](C(=O)OC)[N@H+](C)C[C@@H](C)O ZINC000619621289 369495937 /nfs/dbraw/zinc/49/59/37/369495937.db2.gz MBMXZEQWAJXCKF-RKDXNWHRSA-N 1 2 219.281 -0.123 20 0 BBADLO O=C(CO)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619887131 369625134 /nfs/dbraw/zinc/62/51/34/369625134.db2.gz FXBWNZJNKPHKJR-UHFFFAOYSA-N 1 2 242.319 -0.451 20 0 BBADLO CCC[N@H+]1CC[C@@H](NC(=O)CS(C)(=O)=O)C1 ZINC000619894964 369627427 /nfs/dbraw/zinc/62/74/27/369627427.db2.gz QTASDIZGJSESCE-SECBINFHSA-N 1 2 248.348 -0.369 20 0 BBADLO CCC[N@@H+]1CC[C@@H](NC(=O)CS(C)(=O)=O)C1 ZINC000619894964 369627424 /nfs/dbraw/zinc/62/74/24/369627424.db2.gz QTASDIZGJSESCE-SECBINFHSA-N 1 2 248.348 -0.369 20 0 BBADLO CCC[N@H+]1CC[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC000619894965 369626233 /nfs/dbraw/zinc/62/62/33/369626233.db2.gz QTASDIZGJSESCE-VIFPVBQESA-N 1 2 248.348 -0.369 20 0 BBADLO CCC[N@@H+]1CC[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC000619894965 369626229 /nfs/dbraw/zinc/62/62/29/369626229.db2.gz QTASDIZGJSESCE-VIFPVBQESA-N 1 2 248.348 -0.369 20 0 BBADLO CCS(=O)(=O)C1(CNC(=O)C[NH+](C)C)CC1 ZINC000620049274 369690127 /nfs/dbraw/zinc/69/01/27/369690127.db2.gz SDBMWPKCFGDIHD-UHFFFAOYSA-N 1 2 248.348 -0.369 20 0 BBADLO C[C@@H](O)C1(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000620061138 369691117 /nfs/dbraw/zinc/69/11/17/369691117.db2.gz NXXDBESAGHABNE-MRVPVSSYSA-N 1 2 209.249 -0.087 20 0 BBADLO C[C@H](O)C1(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000620061139 369691515 /nfs/dbraw/zinc/69/15/15/369691515.db2.gz NXXDBESAGHABNE-QMMMGPOBSA-N 1 2 209.249 -0.087 20 0 BBADLO C[C@@H](O)C1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000620064768 369699103 /nfs/dbraw/zinc/69/91/03/369699103.db2.gz HBYQUJAPIHUHSD-BDAKNGLRSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@@H](O)C1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000620064768 369699099 /nfs/dbraw/zinc/69/90/99/369699099.db2.gz HBYQUJAPIHUHSD-BDAKNGLRSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@H](O)C1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000620064769 369698789 /nfs/dbraw/zinc/69/87/89/369698789.db2.gz HBYQUJAPIHUHSD-DTWKUNHWSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@H](O)C1(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000620064769 369698786 /nfs/dbraw/zinc/69/87/86/369698786.db2.gz HBYQUJAPIHUHSD-DTWKUNHWSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@H](O)C1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000620064770 369699122 /nfs/dbraw/zinc/69/91/22/369699122.db2.gz HBYQUJAPIHUHSD-IUCAKERBSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@H](O)C1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000620064770 369699119 /nfs/dbraw/zinc/69/91/19/369699119.db2.gz HBYQUJAPIHUHSD-IUCAKERBSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@@H](O)C1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000620064771 369696785 /nfs/dbraw/zinc/69/67/85/369696785.db2.gz HBYQUJAPIHUHSD-RKDXNWHRSA-N 1 2 228.292 -0.653 20 0 BBADLO C[C@@H](O)C1(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000620064771 369696782 /nfs/dbraw/zinc/69/67/82/369696782.db2.gz HBYQUJAPIHUHSD-RKDXNWHRSA-N 1 2 228.292 -0.653 20 0 BBADLO CN(C)C(=O)CNC(=O)CCCn1cc[nH+]c1 ZINC000620500038 369897095 /nfs/dbraw/zinc/89/70/95/369897095.db2.gz XLXVDXLTCURDSB-UHFFFAOYSA-N 1 2 238.291 -0.132 20 0 BBADLO COC[C@@](C)(O)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620603942 369951660 /nfs/dbraw/zinc/95/16/60/369951660.db2.gz PACKAAXVPJWZIV-GZMMTYOYSA-N 1 2 241.291 -0.005 20 0 BBADLO COC[C@](C)(O)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620603946 369951961 /nfs/dbraw/zinc/95/19/61/369951961.db2.gz PACKAAXVPJWZIV-KCJUWKMLSA-N 1 2 241.291 -0.005 20 0 BBADLO COC[C@](C)(O)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620603947 369951571 /nfs/dbraw/zinc/95/15/71/369951571.db2.gz PACKAAXVPJWZIV-KWQFWETISA-N 1 2 241.291 -0.005 20 0 BBADLO COC[C@@](C)(O)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620603949 369951562 /nfs/dbraw/zinc/95/15/62/369951562.db2.gz PACKAAXVPJWZIV-LDYMZIIASA-N 1 2 241.291 -0.005 20 0 BBADLO O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H](O)C1 ZINC000620871374 370022040 /nfs/dbraw/zinc/02/20/40/370022040.db2.gz PMILWBMZUUTFLO-KYZUINATSA-N 1 2 209.249 -0.087 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N[C@H]1C[C@H](O)C1 ZINC000620874939 370027300 /nfs/dbraw/zinc/02/73/00/370027300.db2.gz UBIBETKRKNYLOA-GUBZILKMSA-N 1 2 228.292 -0.653 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@H]1C[C@H](O)C1 ZINC000620874939 370027299 /nfs/dbraw/zinc/02/72/99/370027299.db2.gz UBIBETKRKNYLOA-GUBZILKMSA-N 1 2 228.292 -0.653 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1C[C@H](O)C1 ZINC000620874940 370027203 /nfs/dbraw/zinc/02/72/03/370027203.db2.gz UBIBETKRKNYLOA-OPRDCNLKSA-N 1 2 228.292 -0.653 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1C[C@H](O)C1 ZINC000620874940 370027200 /nfs/dbraw/zinc/02/72/00/370027200.db2.gz UBIBETKRKNYLOA-OPRDCNLKSA-N 1 2 228.292 -0.653 20 0 BBADLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H](O)C1 ZINC000620875884 370029034 /nfs/dbraw/zinc/02/90/34/370029034.db2.gz MLJFESJSWCKTPN-XWEPSHTISA-N 1 2 209.249 -0.398 20 0 BBADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H](O)C1 ZINC000620876351 345902270 /nfs/dbraw/zinc/90/22/70/345902270.db2.gz WCIZIPWTNVOAGN-CZMCAQCFSA-N 1 2 223.276 -0.008 20 0 BBADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H](O)C1 ZINC000620876546 345905642 /nfs/dbraw/zinc/90/56/42/345905642.db2.gz ZUTIRGYPPABPIK-KYZUINATSA-N 1 2 209.249 -0.018 20 0 BBADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H](O)C1 ZINC000620876546 345905640 /nfs/dbraw/zinc/90/56/40/345905640.db2.gz ZUTIRGYPPABPIK-KYZUINATSA-N 1 2 209.249 -0.018 20 0 BBADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H](O)C1 ZINC000620876750 370030193 /nfs/dbraw/zinc/03/01/93/370030193.db2.gz PTWQHJJNROJLIE-ZKCHVHJHSA-N 1 2 209.249 -0.018 20 0 BBADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1C[C@H](O)C1 ZINC000620876803 370030317 /nfs/dbraw/zinc/03/03/17/370030317.db2.gz RYGCMPALLGIZQU-ZKCHVHJHSA-N 1 2 209.249 -0.100 20 0 BBADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H](O)C1 ZINC000620876803 370030315 /nfs/dbraw/zinc/03/03/15/370030315.db2.gz RYGCMPALLGIZQU-ZKCHVHJHSA-N 1 2 209.249 -0.100 20 0 BBADLO CC(C)(C(=O)N[C@H]1C[C@H](O)C1)[NH+]1CCOCC1 ZINC000620877049 370031349 /nfs/dbraw/zinc/03/13/49/370031349.db2.gz XAUZUBZLEUTWDR-MGCOHNPYSA-N 1 2 242.319 -0.263 20 0 BBADLO Cc1cn(C)nc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000620920938 411725698 /nfs/dbraw/zinc/72/56/98/411725698.db2.gz DNIGLNBUSYTASU-SECBINFHSA-N 1 2 238.291 -0.002 20 0 BBADLO Cc1cn(C)nc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000620920938 411725690 /nfs/dbraw/zinc/72/56/90/411725690.db2.gz DNIGLNBUSYTASU-SECBINFHSA-N 1 2 238.291 -0.002 20 0 BBADLO Cc1cn(C)nc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000620920939 411722852 /nfs/dbraw/zinc/72/28/52/411722852.db2.gz DNIGLNBUSYTASU-VIFPVBQESA-N 1 2 238.291 -0.002 20 0 BBADLO Cc1cn(C)nc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000620920939 411722848 /nfs/dbraw/zinc/72/28/48/411722848.db2.gz DNIGLNBUSYTASU-VIFPVBQESA-N 1 2 238.291 -0.002 20 0 BBADLO O=C(Cn1cc[nH+]c1)NCCOCCF ZINC000621090533 370098068 /nfs/dbraw/zinc/09/80/68/370098068.db2.gz SZUVJDXQIOUCIO-UHFFFAOYSA-N 1 2 215.228 -0.015 20 0 BBADLO CNS(=O)(=O)CC[N@H+]1CCO[C@H](C)C1 ZINC000621242386 370175501 /nfs/dbraw/zinc/17/55/01/370175501.db2.gz HOMYTJQYKRYXEI-MRVPVSSYSA-N 1 2 222.310 -0.744 20 0 BBADLO CNS(=O)(=O)CC[N@@H+]1CCO[C@H](C)C1 ZINC000621242386 370175495 /nfs/dbraw/zinc/17/54/95/370175495.db2.gz HOMYTJQYKRYXEI-MRVPVSSYSA-N 1 2 222.310 -0.744 20 0 BBADLO CNS(=O)(=O)CC[N@H+]1CCO[C@@H](C)C1 ZINC000621242387 370175248 /nfs/dbraw/zinc/17/52/48/370175248.db2.gz HOMYTJQYKRYXEI-QMMMGPOBSA-N 1 2 222.310 -0.744 20 0 BBADLO CNS(=O)(=O)CC[N@@H+]1CCO[C@@H](C)C1 ZINC000621242387 370175238 /nfs/dbraw/zinc/17/52/38/370175238.db2.gz HOMYTJQYKRYXEI-QMMMGPOBSA-N 1 2 222.310 -0.744 20 0 BBADLO CNS(=O)(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000621242927 370176968 /nfs/dbraw/zinc/17/69/68/370176968.db2.gz CMTYATZACYEWQH-DTORHVGOSA-N 1 2 236.337 -0.355 20 0 BBADLO CNS(=O)(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000621242927 370176965 /nfs/dbraw/zinc/17/69/65/370176965.db2.gz CMTYATZACYEWQH-DTORHVGOSA-N 1 2 236.337 -0.355 20 0 BBADLO CNS(=O)(=O)CC[N@H+]1CCOC(C)(C)C1 ZINC000621243094 370174174 /nfs/dbraw/zinc/17/41/74/370174174.db2.gz KNHBJFJGIRGYAF-UHFFFAOYSA-N 1 2 236.337 -0.354 20 0 BBADLO CNS(=O)(=O)CC[N@@H+]1CCOC(C)(C)C1 ZINC000621243094 370174170 /nfs/dbraw/zinc/17/41/70/370174170.db2.gz KNHBJFJGIRGYAF-UHFFFAOYSA-N 1 2 236.337 -0.354 20 0 BBADLO CNS(=O)(=O)CC[N@@H+](C)Cc1cnn(C)c1 ZINC000621243379 370176708 /nfs/dbraw/zinc/17/67/08/370176708.db2.gz YDFCYRFKYCPVAF-UHFFFAOYSA-N 1 2 246.336 -0.599 20 0 BBADLO CNS(=O)(=O)CC[N@H+](C)Cc1cnn(C)c1 ZINC000621243379 370176701 /nfs/dbraw/zinc/17/67/01/370176701.db2.gz YDFCYRFKYCPVAF-UHFFFAOYSA-N 1 2 246.336 -0.599 20 0 BBADLO CNS(=O)(=O)CC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000621244727 349964301 /nfs/dbraw/zinc/96/43/01/349964301.db2.gz YHSDWRDJHMPUII-BDAKNGLRSA-N 1 2 236.337 -0.355 20 0 BBADLO CNS(=O)(=O)CC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000621244727 349964298 /nfs/dbraw/zinc/96/42/98/349964298.db2.gz YHSDWRDJHMPUII-BDAKNGLRSA-N 1 2 236.337 -0.355 20 0 BBADLO CNS(=O)(=O)CC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000621244728 349965825 /nfs/dbraw/zinc/96/58/25/349965825.db2.gz YHSDWRDJHMPUII-DTWKUNHWSA-N 1 2 236.337 -0.355 20 0 BBADLO CNS(=O)(=O)CC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000621244728 349965823 /nfs/dbraw/zinc/96/58/23/349965823.db2.gz YHSDWRDJHMPUII-DTWKUNHWSA-N 1 2 236.337 -0.355 20 0 BBADLO CNS(=O)(=O)CC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000621244729 349965466 /nfs/dbraw/zinc/96/54/66/349965466.db2.gz YHSDWRDJHMPUII-IUCAKERBSA-N 1 2 236.337 -0.355 20 0 BBADLO CNS(=O)(=O)CC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000621244729 349965460 /nfs/dbraw/zinc/96/54/60/349965460.db2.gz YHSDWRDJHMPUII-IUCAKERBSA-N 1 2 236.337 -0.355 20 0 BBADLO CNS(=O)(=O)CC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000621244730 349965526 /nfs/dbraw/zinc/96/55/26/349965526.db2.gz YHSDWRDJHMPUII-RKDXNWHRSA-N 1 2 236.337 -0.355 20 0 BBADLO CNS(=O)(=O)CC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000621244730 349965523 /nfs/dbraw/zinc/96/55/23/349965523.db2.gz YHSDWRDJHMPUII-RKDXNWHRSA-N 1 2 236.337 -0.355 20 0 BBADLO CC[C@@H]1C[N@@H+](CCS(=O)(=O)NC)CCO1 ZINC000621246791 370181705 /nfs/dbraw/zinc/18/17/05/370181705.db2.gz SQWKAAUYOLPVRM-SECBINFHSA-N 1 2 236.337 -0.354 20 0 BBADLO CC[C@@H]1C[N@H+](CCS(=O)(=O)NC)CCO1 ZINC000621246791 370181702 /nfs/dbraw/zinc/18/17/02/370181702.db2.gz SQWKAAUYOLPVRM-SECBINFHSA-N 1 2 236.337 -0.354 20 0 BBADLO CC[C@H]1C[N@@H+](CCS(=O)(=O)NC)CCO1 ZINC000621246792 370181975 /nfs/dbraw/zinc/18/19/75/370181975.db2.gz SQWKAAUYOLPVRM-VIFPVBQESA-N 1 2 236.337 -0.354 20 0 BBADLO CC[C@H]1C[N@H+](CCS(=O)(=O)NC)CCO1 ZINC000621246792 370181971 /nfs/dbraw/zinc/18/19/71/370181971.db2.gz SQWKAAUYOLPVRM-VIFPVBQESA-N 1 2 236.337 -0.354 20 0 BBADLO CNS(=O)(=O)CC[N@H+]1CCOCC1(C)C ZINC000621250934 370184170 /nfs/dbraw/zinc/18/41/70/370184170.db2.gz YSLSWYGWQOKFAI-UHFFFAOYSA-N 1 2 236.337 -0.354 20 0 BBADLO CNS(=O)(=O)CC[N@@H+]1CCOCC1(C)C ZINC000621250934 370184163 /nfs/dbraw/zinc/18/41/63/370184163.db2.gz YSLSWYGWQOKFAI-UHFFFAOYSA-N 1 2 236.337 -0.354 20 0 BBADLO CC[C@@H]1COCC[N@H+]1CCS(=O)(=O)NC ZINC000621258105 370190981 /nfs/dbraw/zinc/19/09/81/370190981.db2.gz YBVPXMYBSZTSMG-SECBINFHSA-N 1 2 236.337 -0.354 20 0 BBADLO CC[C@@H]1COCC[N@@H+]1CCS(=O)(=O)NC ZINC000621258105 370190978 /nfs/dbraw/zinc/19/09/78/370190978.db2.gz YBVPXMYBSZTSMG-SECBINFHSA-N 1 2 236.337 -0.354 20 0 BBADLO CC[C@H]1COCC[N@H+]1CCS(=O)(=O)NC ZINC000621258106 370190562 /nfs/dbraw/zinc/19/05/62/370190562.db2.gz YBVPXMYBSZTSMG-VIFPVBQESA-N 1 2 236.337 -0.354 20 0 BBADLO CC[C@H]1COCC[N@@H+]1CCS(=O)(=O)NC ZINC000621258106 370190559 /nfs/dbraw/zinc/19/05/59/370190559.db2.gz YBVPXMYBSZTSMG-VIFPVBQESA-N 1 2 236.337 -0.354 20 0 BBADLO CNS(=O)(=O)CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000621260869 370193052 /nfs/dbraw/zinc/19/30/52/370193052.db2.gz UTJIQJIZPWXARR-DTORHVGOSA-N 1 2 234.321 -0.601 20 0 BBADLO CNS(=O)(=O)CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000621260869 370193049 /nfs/dbraw/zinc/19/30/49/370193049.db2.gz UTJIQJIZPWXARR-DTORHVGOSA-N 1 2 234.321 -0.601 20 0 BBADLO CNS(=O)(=O)CC[N@@H+](C)Cc1cnccn1 ZINC000621261325 370193628 /nfs/dbraw/zinc/19/36/28/370193628.db2.gz MEQLNHYELPCIGQ-UHFFFAOYSA-N 1 2 244.320 -0.542 20 0 BBADLO CNS(=O)(=O)CC[N@H+](C)Cc1cnccn1 ZINC000621261325 370193625 /nfs/dbraw/zinc/19/36/25/370193625.db2.gz MEQLNHYELPCIGQ-UHFFFAOYSA-N 1 2 244.320 -0.542 20 0 BBADLO NC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H](O)C3)c12 ZINC000621263362 370196024 /nfs/dbraw/zinc/19/60/24/370196024.db2.gz ODFPVWJTLWARRK-ZCFIWIBFSA-N 1 2 247.258 -0.372 20 0 BBADLO CNS(=O)(=O)CC[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000621263446 370197445 /nfs/dbraw/zinc/19/74/45/370197445.db2.gz SCHAQNQEDKHCGK-BDAKNGLRSA-N 1 2 236.337 -0.355 20 0 BBADLO CNS(=O)(=O)CC[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000621263446 370197441 /nfs/dbraw/zinc/19/74/41/370197441.db2.gz SCHAQNQEDKHCGK-BDAKNGLRSA-N 1 2 236.337 -0.355 20 0 BBADLO CNS(=O)(=O)CC[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000621263447 370197378 /nfs/dbraw/zinc/19/73/78/370197378.db2.gz SCHAQNQEDKHCGK-DTWKUNHWSA-N 1 2 236.337 -0.355 20 0 BBADLO CNS(=O)(=O)CC[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000621263447 370197373 /nfs/dbraw/zinc/19/73/73/370197373.db2.gz SCHAQNQEDKHCGK-DTWKUNHWSA-N 1 2 236.337 -0.355 20 0 BBADLO CNS(=O)(=O)CC[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000621263448 370197262 /nfs/dbraw/zinc/19/72/62/370197262.db2.gz SCHAQNQEDKHCGK-IUCAKERBSA-N 1 2 236.337 -0.355 20 0 BBADLO CNS(=O)(=O)CC[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000621263448 370197259 /nfs/dbraw/zinc/19/72/59/370197259.db2.gz SCHAQNQEDKHCGK-IUCAKERBSA-N 1 2 236.337 -0.355 20 0 BBADLO CNS(=O)(=O)CC[N@H+]1CCO[C@H](C)[C@H]1C ZINC000621263449 370197651 /nfs/dbraw/zinc/19/76/51/370197651.db2.gz SCHAQNQEDKHCGK-RKDXNWHRSA-N 1 2 236.337 -0.355 20 0 BBADLO CNS(=O)(=O)CC[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000621263449 370197646 /nfs/dbraw/zinc/19/76/46/370197646.db2.gz SCHAQNQEDKHCGK-RKDXNWHRSA-N 1 2 236.337 -0.355 20 0 BBADLO CNS(=O)(=O)CC[N@@H+](C)Cc1cn[nH]c1 ZINC000621268027 370199708 /nfs/dbraw/zinc/19/97/08/370199708.db2.gz YXUJBVMAKRBJPG-UHFFFAOYSA-N 1 2 232.309 -0.609 20 0 BBADLO CNS(=O)(=O)CC[N@H+](C)Cc1cn[nH]c1 ZINC000621268027 370199706 /nfs/dbraw/zinc/19/97/06/370199706.db2.gz YXUJBVMAKRBJPG-UHFFFAOYSA-N 1 2 232.309 -0.609 20 0 BBADLO CNS(=O)(=O)CC[N@H+]1CCOCC12CCC2 ZINC000621268920 370199979 /nfs/dbraw/zinc/19/99/79/370199979.db2.gz CQFVNBNRWHYNGX-UHFFFAOYSA-N 1 2 248.348 -0.210 20 0 BBADLO CNS(=O)(=O)CC[N@@H+]1CCOCC12CCC2 ZINC000621268920 370199974 /nfs/dbraw/zinc/19/99/74/370199974.db2.gz CQFVNBNRWHYNGX-UHFFFAOYSA-N 1 2 248.348 -0.210 20 0 BBADLO CNS(=O)(=O)CCN(C)Cc1[nH]cc[nH+]1 ZINC000621270609 370201294 /nfs/dbraw/zinc/20/12/94/370201294.db2.gz FNOQKKKFPDFSPZ-UHFFFAOYSA-N 1 2 232.309 -0.609 20 0 BBADLO CNS(=O)(=O)CCN(C)Cc1[nH+]ccn1C ZINC000621270740 370201355 /nfs/dbraw/zinc/20/13/55/370201355.db2.gz KBGHIICYTOSBOC-UHFFFAOYSA-N 1 2 246.336 -0.599 20 0 BBADLO CNS(=O)(=O)CC[N@H+]1CCc2n[nH]cc2C1 ZINC000621270942 370202199 /nfs/dbraw/zinc/20/21/99/370202199.db2.gz QBOPNAXGUTVXLY-UHFFFAOYSA-N 1 2 244.320 -0.683 20 0 BBADLO CNS(=O)(=O)CC[N@@H+]1CCc2n[nH]cc2C1 ZINC000621270942 370202195 /nfs/dbraw/zinc/20/21/95/370202195.db2.gz QBOPNAXGUTVXLY-UHFFFAOYSA-N 1 2 244.320 -0.683 20 0 BBADLO CNS(=O)(=O)CC[N@H+]1CCOC2(CCC2)C1 ZINC000621271594 370202783 /nfs/dbraw/zinc/20/27/83/370202783.db2.gz NCQXZNRMXQPWMT-UHFFFAOYSA-N 1 2 248.348 -0.210 20 0 BBADLO CNS(=O)(=O)CC[N@@H+]1CCOC2(CCC2)C1 ZINC000621271594 370202779 /nfs/dbraw/zinc/20/27/79/370202779.db2.gz NCQXZNRMXQPWMT-UHFFFAOYSA-N 1 2 248.348 -0.210 20 0 BBADLO CNS(=O)(=O)CC[N@H+]1CCOC[C@H]1C1CC1 ZINC000621271756 370202163 /nfs/dbraw/zinc/20/21/63/370202163.db2.gz SHKUYJCPUHRMCD-JTQLQIEISA-N 1 2 248.348 -0.354 20 0 BBADLO CNS(=O)(=O)CC[N@@H+]1CCOC[C@H]1C1CC1 ZINC000621271756 370202161 /nfs/dbraw/zinc/20/21/61/370202161.db2.gz SHKUYJCPUHRMCD-JTQLQIEISA-N 1 2 248.348 -0.354 20 0 BBADLO CNS(=O)(=O)CC[N@H+]1CCOC[C@@H]1C1CC1 ZINC000621271757 370202260 /nfs/dbraw/zinc/20/22/60/370202260.db2.gz SHKUYJCPUHRMCD-SNVBAGLBSA-N 1 2 248.348 -0.354 20 0 BBADLO CNS(=O)(=O)CC[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000621271757 370202256 /nfs/dbraw/zinc/20/22/56/370202256.db2.gz SHKUYJCPUHRMCD-SNVBAGLBSA-N 1 2 248.348 -0.354 20 0 BBADLO CNS(=O)(=O)CC[N@H+]1CCO[C@H](C2CC2)C1 ZINC000621281059 370211612 /nfs/dbraw/zinc/21/16/12/370211612.db2.gz PGEXNPAZQFVESW-JTQLQIEISA-N 1 2 248.348 -0.354 20 0 BBADLO CNS(=O)(=O)CC[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000621281059 370211604 /nfs/dbraw/zinc/21/16/04/370211604.db2.gz PGEXNPAZQFVESW-JTQLQIEISA-N 1 2 248.348 -0.354 20 0 BBADLO CNS(=O)(=O)CC[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000621281060 370211654 /nfs/dbraw/zinc/21/16/54/370211654.db2.gz PGEXNPAZQFVESW-SNVBAGLBSA-N 1 2 248.348 -0.354 20 0 BBADLO CNS(=O)(=O)CC[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000621281060 370211651 /nfs/dbraw/zinc/21/16/51/370211651.db2.gz PGEXNPAZQFVESW-SNVBAGLBSA-N 1 2 248.348 -0.354 20 0 BBADLO CNS(=O)(=O)CC[N@H+]1CCOC[C@H]1C ZINC000621287098 370216577 /nfs/dbraw/zinc/21/65/77/370216577.db2.gz AXXHMCWXNSNAIV-MRVPVSSYSA-N 1 2 222.310 -0.744 20 0 BBADLO CNS(=O)(=O)CC[N@@H+]1CCOC[C@H]1C ZINC000621287098 370216574 /nfs/dbraw/zinc/21/65/74/370216574.db2.gz AXXHMCWXNSNAIV-MRVPVSSYSA-N 1 2 222.310 -0.744 20 0 BBADLO CNS(=O)(=O)CCN1CCn2c[nH+]cc2C1 ZINC000621296250 370223702 /nfs/dbraw/zinc/22/37/02/370223702.db2.gz MGENRMNUDWTAKA-UHFFFAOYSA-N 1 2 244.320 -0.752 20 0 BBADLO CNS(=O)(=O)CC[N@@H+](C(C)C)C1COC1 ZINC000621298056 370226279 /nfs/dbraw/zinc/22/62/79/370226279.db2.gz HYQWYXYNCQUNOH-UHFFFAOYSA-N 1 2 236.337 -0.355 20 0 BBADLO CNS(=O)(=O)CC[N@H+](C(C)C)C1COC1 ZINC000621298056 370226277 /nfs/dbraw/zinc/22/62/77/370226277.db2.gz HYQWYXYNCQUNOH-UHFFFAOYSA-N 1 2 236.337 -0.355 20 0 BBADLO CNS(=O)(=O)CC[N@H+]1CCOC[C@@H]1C ZINC000621298562 370225969 /nfs/dbraw/zinc/22/59/69/370225969.db2.gz AXXHMCWXNSNAIV-QMMMGPOBSA-N 1 2 222.310 -0.744 20 0 BBADLO CNS(=O)(=O)CC[N@@H+]1CCOC[C@@H]1C ZINC000621298562 370225964 /nfs/dbraw/zinc/22/59/64/370225964.db2.gz AXXHMCWXNSNAIV-QMMMGPOBSA-N 1 2 222.310 -0.744 20 0 BBADLO CNS(=O)(=O)CC[N@H+]1CC[C@@H](F)C1 ZINC000621298647 370228101 /nfs/dbraw/zinc/22/81/01/370228101.db2.gz DXGCKWIGRPHJIZ-SSDOTTSWSA-N 1 2 210.274 -0.421 20 0 BBADLO CNS(=O)(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC000621298647 370228097 /nfs/dbraw/zinc/22/80/97/370228097.db2.gz DXGCKWIGRPHJIZ-SSDOTTSWSA-N 1 2 210.274 -0.421 20 0 BBADLO CNS(=O)(=O)CC[N@H+]1CC[C@H](F)C1 ZINC000621298648 370228153 /nfs/dbraw/zinc/22/81/53/370228153.db2.gz DXGCKWIGRPHJIZ-ZETCQYMHSA-N 1 2 210.274 -0.421 20 0 BBADLO CNS(=O)(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC000621298648 370228149 /nfs/dbraw/zinc/22/81/49/370228149.db2.gz DXGCKWIGRPHJIZ-ZETCQYMHSA-N 1 2 210.274 -0.421 20 0 BBADLO CNS(=O)(=O)CC[NH2+][C@H](C)c1ccn(C)n1 ZINC000621301094 370230803 /nfs/dbraw/zinc/23/08/03/370230803.db2.gz JOGAWNNOHJOXSI-MRVPVSSYSA-N 1 2 246.336 -0.380 20 0 BBADLO CNS(=O)(=O)CC[NH2+][C@@H](C)c1ccn(C)n1 ZINC000621301095 370230691 /nfs/dbraw/zinc/23/06/91/370230691.db2.gz JOGAWNNOHJOXSI-QMMMGPOBSA-N 1 2 246.336 -0.380 20 0 BBADLO CC(C)(C(=O)N1CCNC(=O)C1)c1c[nH+]c[nH]1 ZINC000621313887 370240165 /nfs/dbraw/zinc/24/01/65/370240165.db2.gz AHRLRANKPIVFDY-UHFFFAOYSA-N 1 2 236.275 -0.354 20 0 BBADLO CNS(=O)(=O)CCN(C)Cc1c[nH]c[nH+]1 ZINC000621313979 370239248 /nfs/dbraw/zinc/23/92/48/370239248.db2.gz DXHWKVAGCRAYIM-UHFFFAOYSA-N 1 2 232.309 -0.609 20 0 BBADLO CNS(=O)(=O)CCN(C)Cc1c[nH+]c[nH]1 ZINC000621313979 370239244 /nfs/dbraw/zinc/23/92/44/370239244.db2.gz DXHWKVAGCRAYIM-UHFFFAOYSA-N 1 2 232.309 -0.609 20 0 BBADLO CNS(=O)(=O)CC[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000621315853 370242501 /nfs/dbraw/zinc/24/25/01/370242501.db2.gz MRMKZKNHCVBHIC-RKDXNWHRSA-N 1 2 248.348 -0.308 20 0 BBADLO CNC(=O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000621323147 370251967 /nfs/dbraw/zinc/25/19/67/370251967.db2.gz UMHZRGAPLQNXKS-UHFFFAOYSA-N 1 2 238.291 -0.108 20 0 BBADLO Cc1cc(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)ccn1 ZINC000621323684 370252066 /nfs/dbraw/zinc/25/20/66/370252066.db2.gz JMSQAJFJOFCVNZ-MNOVXSKESA-N 1 2 235.287 -0.189 20 0 BBADLO Cc1cc(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)ccn1 ZINC000621323684 370252062 /nfs/dbraw/zinc/25/20/62/370252062.db2.gz JMSQAJFJOFCVNZ-MNOVXSKESA-N 1 2 235.287 -0.189 20 0 BBADLO C[C@@H]1CC[N@@H+](Cc2nnnn2C)C[C@H]1CO ZINC000621366707 343282768 /nfs/dbraw/zinc/28/27/68/343282768.db2.gz PPVRIUWAPITHMO-BDAKNGLRSA-N 1 2 225.296 -0.340 20 0 BBADLO C[C@@H]1CC[N@H+](Cc2nnnn2C)C[C@H]1CO ZINC000621366707 343282765 /nfs/dbraw/zinc/28/27/65/343282765.db2.gz PPVRIUWAPITHMO-BDAKNGLRSA-N 1 2 225.296 -0.340 20 0 BBADLO C[C@H]1CC[N@@H+](Cc2nnnn2C)C[C@@H]1CO ZINC000621366708 343282520 /nfs/dbraw/zinc/28/25/20/343282520.db2.gz PPVRIUWAPITHMO-DTWKUNHWSA-N 1 2 225.296 -0.340 20 0 BBADLO C[C@H]1CC[N@H+](Cc2nnnn2C)C[C@@H]1CO ZINC000621366708 343282517 /nfs/dbraw/zinc/28/25/17/343282517.db2.gz PPVRIUWAPITHMO-DTWKUNHWSA-N 1 2 225.296 -0.340 20 0 BBADLO C[C@H]1CC[N@@H+](Cc2nnnn2C)C[C@H]1CO ZINC000621366709 343282881 /nfs/dbraw/zinc/28/28/81/343282881.db2.gz PPVRIUWAPITHMO-IUCAKERBSA-N 1 2 225.296 -0.340 20 0 BBADLO C[C@H]1CC[N@H+](Cc2nnnn2C)C[C@H]1CO ZINC000621366709 343282880 /nfs/dbraw/zinc/28/28/80/343282880.db2.gz PPVRIUWAPITHMO-IUCAKERBSA-N 1 2 225.296 -0.340 20 0 BBADLO C[C@@H]1CC[N@@H+](Cc2nnnn2C)C[C@@H]1CO ZINC000621366710 343282893 /nfs/dbraw/zinc/28/28/93/343282893.db2.gz PPVRIUWAPITHMO-RKDXNWHRSA-N 1 2 225.296 -0.340 20 0 BBADLO C[C@@H]1CC[N@H+](Cc2nnnn2C)C[C@@H]1CO ZINC000621366710 343282892 /nfs/dbraw/zinc/28/28/92/343282892.db2.gz PPVRIUWAPITHMO-RKDXNWHRSA-N 1 2 225.296 -0.340 20 0 BBADLO C[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C[C@@H]1CO ZINC000621371421 370307609 /nfs/dbraw/zinc/30/76/09/370307609.db2.gz CRYDRHZBNPZQSQ-HTQZYQBOSA-N 1 2 226.280 -0.039 20 0 BBADLO C[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)C[C@@H]1CO ZINC000621371421 370307605 /nfs/dbraw/zinc/30/76/05/370307605.db2.gz CRYDRHZBNPZQSQ-HTQZYQBOSA-N 1 2 226.280 -0.039 20 0 BBADLO C[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C[C@@H]1CO ZINC000621371422 370307623 /nfs/dbraw/zinc/30/76/23/370307623.db2.gz CRYDRHZBNPZQSQ-JGVFFNPUSA-N 1 2 226.280 -0.039 20 0 BBADLO C[C@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)C[C@@H]1CO ZINC000621371422 370307619 /nfs/dbraw/zinc/30/76/19/370307619.db2.gz CRYDRHZBNPZQSQ-JGVFFNPUSA-N 1 2 226.280 -0.039 20 0 BBADLO C[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C[C@H]1CO ZINC000621371423 370308050 /nfs/dbraw/zinc/30/80/50/370308050.db2.gz CRYDRHZBNPZQSQ-SFYZADRCSA-N 1 2 226.280 -0.039 20 0 BBADLO C[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)C[C@H]1CO ZINC000621371423 370308047 /nfs/dbraw/zinc/30/80/47/370308047.db2.gz CRYDRHZBNPZQSQ-SFYZADRCSA-N 1 2 226.280 -0.039 20 0 BBADLO C[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C[C@H]1CO ZINC000621371424 370308628 /nfs/dbraw/zinc/30/86/28/370308628.db2.gz CRYDRHZBNPZQSQ-YUMQZZPRSA-N 1 2 226.280 -0.039 20 0 BBADLO C[C@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)C[C@H]1CO ZINC000621371424 370308622 /nfs/dbraw/zinc/30/86/22/370308622.db2.gz CRYDRHZBNPZQSQ-YUMQZZPRSA-N 1 2 226.280 -0.039 20 0 BBADLO C[C@@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CO ZINC000621371724 343307941 /nfs/dbraw/zinc/30/79/41/343307941.db2.gz JDFNJAMUMIDZTK-BDAKNGLRSA-N 1 2 240.307 -0.441 20 0 BBADLO C[C@@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CO ZINC000621371724 343307939 /nfs/dbraw/zinc/30/79/39/343307939.db2.gz JDFNJAMUMIDZTK-BDAKNGLRSA-N 1 2 240.307 -0.441 20 0 BBADLO C[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@@H]1CO ZINC000621371725 343307890 /nfs/dbraw/zinc/30/78/90/343307890.db2.gz JDFNJAMUMIDZTK-DTWKUNHWSA-N 1 2 240.307 -0.441 20 0 BBADLO C[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@@H]1CO ZINC000621371725 343307888 /nfs/dbraw/zinc/30/78/88/343307888.db2.gz JDFNJAMUMIDZTK-DTWKUNHWSA-N 1 2 240.307 -0.441 20 0 BBADLO C[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CO ZINC000621371726 343308008 /nfs/dbraw/zinc/30/80/08/343308008.db2.gz JDFNJAMUMIDZTK-IUCAKERBSA-N 1 2 240.307 -0.441 20 0 BBADLO C[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CO ZINC000621371726 343308006 /nfs/dbraw/zinc/30/80/06/343308006.db2.gz JDFNJAMUMIDZTK-IUCAKERBSA-N 1 2 240.307 -0.441 20 0 BBADLO C[C@@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@@H]1CO ZINC000621371727 343307909 /nfs/dbraw/zinc/30/79/09/343307909.db2.gz JDFNJAMUMIDZTK-RKDXNWHRSA-N 1 2 240.307 -0.441 20 0 BBADLO C[C@@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@@H]1CO ZINC000621371727 343307907 /nfs/dbraw/zinc/30/79/07/343307907.db2.gz JDFNJAMUMIDZTK-RKDXNWHRSA-N 1 2 240.307 -0.441 20 0 BBADLO C[C@@H]1CC[N@@H+](Cc2nnn(C)n2)C[C@H]1CO ZINC000621372266 343311658 /nfs/dbraw/zinc/31/16/58/343311658.db2.gz RZOMLTUDCBOQQA-BDAKNGLRSA-N 1 2 225.296 -0.340 20 0 BBADLO C[C@@H]1CC[N@H+](Cc2nnn(C)n2)C[C@H]1CO ZINC000621372266 343311654 /nfs/dbraw/zinc/31/16/54/343311654.db2.gz RZOMLTUDCBOQQA-BDAKNGLRSA-N 1 2 225.296 -0.340 20 0 BBADLO C[C@H]1CC[N@@H+](Cc2nnn(C)n2)C[C@@H]1CO ZINC000621372267 343311786 /nfs/dbraw/zinc/31/17/86/343311786.db2.gz RZOMLTUDCBOQQA-DTWKUNHWSA-N 1 2 225.296 -0.340 20 0 BBADLO C[C@H]1CC[N@H+](Cc2nnn(C)n2)C[C@@H]1CO ZINC000621372267 343311785 /nfs/dbraw/zinc/31/17/85/343311785.db2.gz RZOMLTUDCBOQQA-DTWKUNHWSA-N 1 2 225.296 -0.340 20 0 BBADLO C[C@H]1CC[N@@H+](Cc2nnn(C)n2)C[C@H]1CO ZINC000621372268 343311666 /nfs/dbraw/zinc/31/16/66/343311666.db2.gz RZOMLTUDCBOQQA-IUCAKERBSA-N 1 2 225.296 -0.340 20 0 BBADLO C[C@H]1CC[N@H+](Cc2nnn(C)n2)C[C@H]1CO ZINC000621372268 343311664 /nfs/dbraw/zinc/31/16/64/343311664.db2.gz RZOMLTUDCBOQQA-IUCAKERBSA-N 1 2 225.296 -0.340 20 0 BBADLO C[C@@H]1CC[N@@H+](Cc2nnn(C)n2)C[C@@H]1CO ZINC000621372269 343311615 /nfs/dbraw/zinc/31/16/15/343311615.db2.gz RZOMLTUDCBOQQA-RKDXNWHRSA-N 1 2 225.296 -0.340 20 0 BBADLO C[C@@H]1CC[N@H+](Cc2nnn(C)n2)C[C@@H]1CO ZINC000621372269 343311613 /nfs/dbraw/zinc/31/16/13/343311613.db2.gz RZOMLTUDCBOQQA-RKDXNWHRSA-N 1 2 225.296 -0.340 20 0 BBADLO O=C(NCCNc1cccc[nH+]1)[C@@H]1CCNC1=O ZINC000621423852 370349232 /nfs/dbraw/zinc/34/92/32/370349232.db2.gz FPGQFLPOBYKSFU-SECBINFHSA-N 1 2 248.286 -0.254 20 0 BBADLO O=C(NCCNc1cccc[nH+]1)[C@H]1CCNC1=O ZINC000621423853 370348902 /nfs/dbraw/zinc/34/89/02/370348902.db2.gz FPGQFLPOBYKSFU-VIFPVBQESA-N 1 2 248.286 -0.254 20 0 BBADLO CC1CC(CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000621672489 370424507 /nfs/dbraw/zinc/42/45/07/370424507.db2.gz HACNAAUKFOSJAP-UHFFFAOYSA-N 1 2 239.319 -0.420 20 0 BBADLO Cc1nccnc1C[NH+]1CCN(CC(N)=O)CC1 ZINC000621710418 370456175 /nfs/dbraw/zinc/45/61/75/370456175.db2.gz AFRGXZLESCISBX-UHFFFAOYSA-N 1 2 249.318 -0.612 20 0 BBADLO Cc1nccnc1C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000621719850 370469636 /nfs/dbraw/zinc/46/96/36/370469636.db2.gz YLPOXZKIHCQUDN-JTQLQIEISA-N 1 2 247.302 -0.006 20 0 BBADLO Cc1nccnc1C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000621719850 370469635 /nfs/dbraw/zinc/46/96/35/370469635.db2.gz YLPOXZKIHCQUDN-JTQLQIEISA-N 1 2 247.302 -0.006 20 0 BBADLO Cc1nccnc1C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000621719851 370469731 /nfs/dbraw/zinc/46/97/31/370469731.db2.gz YLPOXZKIHCQUDN-SNVBAGLBSA-N 1 2 247.302 -0.006 20 0 BBADLO Cc1nccnc1C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000621719851 370469726 /nfs/dbraw/zinc/46/97/26/370469726.db2.gz YLPOXZKIHCQUDN-SNVBAGLBSA-N 1 2 247.302 -0.006 20 0 BBADLO CCN(C)C(=O)C[N@@H+](CC)CC(=O)N(C)C ZINC000621730027 370483558 /nfs/dbraw/zinc/48/35/58/370483558.db2.gz XZTKYTQRXJNDDC-UHFFFAOYSA-N 1 2 229.324 -0.125 20 0 BBADLO CCN(C)C(=O)C[N@H+](CC)CC(=O)N(C)C ZINC000621730027 370483557 /nfs/dbraw/zinc/48/35/57/370483557.db2.gz XZTKYTQRXJNDDC-UHFFFAOYSA-N 1 2 229.324 -0.125 20 0 BBADLO CNC(=O)C[N@@H+](C)Cc1nccnc1C ZINC000621732915 370487254 /nfs/dbraw/zinc/48/72/54/370487254.db2.gz YSEJLVMSVWDHPM-UHFFFAOYSA-N 1 2 208.265 -0.037 20 0 BBADLO CNC(=O)C[N@H+](C)Cc1nccnc1C ZINC000621732915 370487248 /nfs/dbraw/zinc/48/72/48/370487248.db2.gz YSEJLVMSVWDHPM-UHFFFAOYSA-N 1 2 208.265 -0.037 20 0 BBADLO NC(=O)Cn1cc(C[NH+]2CC(CC3CC3)C2)nn1 ZINC000621740593 343886236 /nfs/dbraw/zinc/88/62/36/343886236.db2.gz YISZDWZKBKFCTA-UHFFFAOYSA-N 1 2 249.318 -0.005 20 0 BBADLO CC(C)(C(=O)NCCn1ncnn1)c1c[nH]c[nH+]1 ZINC000621913370 370596502 /nfs/dbraw/zinc/59/65/02/370596502.db2.gz LTMCROYMGMRDBK-UHFFFAOYSA-N 1 2 249.278 -0.510 20 0 BBADLO Cn1[nH]cnc1=NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000621915746 370598394 /nfs/dbraw/zinc/59/83/94/370598394.db2.gz MHXNRTOKNJLKRJ-SSDOTTSWSA-N 1 2 246.274 -0.296 20 0 BBADLO Cn1[nH]cnc1=NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000621915746 370598391 /nfs/dbraw/zinc/59/83/91/370598391.db2.gz MHXNRTOKNJLKRJ-SSDOTTSWSA-N 1 2 246.274 -0.296 20 0 BBADLO Cn1[nH]cnc1=NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000621915747 370598329 /nfs/dbraw/zinc/59/83/29/370598329.db2.gz MHXNRTOKNJLKRJ-ZETCQYMHSA-N 1 2 246.274 -0.296 20 0 BBADLO Cn1[nH]cnc1=NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000621915747 370598327 /nfs/dbraw/zinc/59/83/27/370598327.db2.gz MHXNRTOKNJLKRJ-ZETCQYMHSA-N 1 2 246.274 -0.296 20 0 BBADLO CN1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1=O ZINC000621943024 370612254 /nfs/dbraw/zinc/61/22/54/370612254.db2.gz PBZAMQVRRBGOJH-UHFFFAOYSA-N 1 2 236.275 -0.055 20 0 BBADLO CC(C)(C(=O)N[C@H]1CNC(=O)C1)c1c[nH]c[nH+]1 ZINC000621945670 370613091 /nfs/dbraw/zinc/61/30/91/370613091.db2.gz WCJJWTMSKNMDPP-SSDOTTSWSA-N 1 2 236.275 -0.308 20 0 BBADLO CC(C)(C(=O)N[C@@H]1CNC(=O)C1)c1c[nH]c[nH+]1 ZINC000621945671 370613672 /nfs/dbraw/zinc/61/36/72/370613672.db2.gz WCJJWTMSKNMDPP-ZETCQYMHSA-N 1 2 236.275 -0.308 20 0 BBADLO Cc1nc(=NC(=O)[C@H]2CCCC[N@H+]2C)n(C)[nH]1 ZINC000621952369 370617129 /nfs/dbraw/zinc/61/71/29/370617129.db2.gz DEPQQSSTYYLAGY-SECBINFHSA-N 1 2 237.307 -0.032 20 0 BBADLO Cc1nc(=NC(=O)[C@H]2CCCC[N@@H+]2C)n(C)[nH]1 ZINC000621952369 370617126 /nfs/dbraw/zinc/61/71/26/370617126.db2.gz DEPQQSSTYYLAGY-SECBINFHSA-N 1 2 237.307 -0.032 20 0 BBADLO Cc1nc(=NC(=O)[C@@H]2CCCC[N@H+]2C)n(C)[nH]1 ZINC000621952370 370616972 /nfs/dbraw/zinc/61/69/72/370616972.db2.gz DEPQQSSTYYLAGY-VIFPVBQESA-N 1 2 237.307 -0.032 20 0 BBADLO Cc1nc(=NC(=O)[C@@H]2CCCC[N@@H+]2C)n(C)[nH]1 ZINC000621952370 370616971 /nfs/dbraw/zinc/61/69/71/370616971.db2.gz DEPQQSSTYYLAGY-VIFPVBQESA-N 1 2 237.307 -0.032 20 0 BBADLO COC[C@@H](CO)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621986961 370645054 /nfs/dbraw/zinc/64/50/54/370645054.db2.gz FRASIAQSQBCCJA-MRVPVSSYSA-N 1 2 241.291 -0.189 20 0 BBADLO CC(C)(C(=O)N[C@@H]1COC[C@H]1O)c1c[nH]c[nH+]1 ZINC000622093546 370705040 /nfs/dbraw/zinc/70/50/40/370705040.db2.gz NNELLTYEOMKSAE-HTQZYQBOSA-N 1 2 239.275 -0.437 20 0 BBADLO Cn1c[nH+]cc1CC(=O)NC1(CO)CCC1 ZINC000622099354 370708892 /nfs/dbraw/zinc/70/88/92/370708892.db2.gz QEDYYIJPWIETFN-UHFFFAOYSA-N 1 2 223.276 -0.006 20 0 BBADLO C[C@@H](O)[C@@H](CO)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000622101226 370709842 /nfs/dbraw/zinc/70/98/42/370709842.db2.gz ZCDSQOIKOHPMLX-HTQZYQBOSA-N 1 2 241.291 -0.455 20 0 BBADLO CCn1nnc(C)c1C(=O)N1CC[NH+](C)CC1 ZINC000622272309 370811726 /nfs/dbraw/zinc/81/17/26/370811726.db2.gz TWULEVZTILWMGN-UHFFFAOYSA-N 1 2 237.307 -0.006 20 0 BBADLO O=C(NCCCn1cc[nH+]c1)[C@@]1(O)CCOC1 ZINC000622274286 370815253 /nfs/dbraw/zinc/81/52/53/370815253.db2.gz CBXICZPCJXLZPI-LLVKDONJSA-N 1 2 239.275 -0.459 20 0 BBADLO O=C(NCCCn1cc[nH+]c1)[C@]1(O)CCOC1 ZINC000622274287 370815359 /nfs/dbraw/zinc/81/53/59/370815359.db2.gz CBXICZPCJXLZPI-NSHDSACASA-N 1 2 239.275 -0.459 20 0 BBADLO CC[C@H](O)CC(=O)NCC[NH+]1CCOCC1 ZINC000622275686 370816121 /nfs/dbraw/zinc/81/61/21/370816121.db2.gz PFTXXDSHHILNIL-JTQLQIEISA-N 1 2 230.308 -0.404 20 0 BBADLO CC[C@@H](O)CC(=O)NCC[NH+]1CCOCC1 ZINC000622275703 370816377 /nfs/dbraw/zinc/81/63/77/370816377.db2.gz PFTXXDSHHILNIL-SNVBAGLBSA-N 1 2 230.308 -0.404 20 0 BBADLO O=C(CO)NCCc1cn2c([nH+]1)CCCC2 ZINC000622299147 370829680 /nfs/dbraw/zinc/82/96/80/370829680.db2.gz LPHSMVIMNDAQHY-UHFFFAOYSA-N 1 2 223.276 -0.130 20 0 BBADLO O=C(c1ccsn1)N1CC[NH+](CCO)CC1 ZINC000622300821 370830390 /nfs/dbraw/zinc/83/03/90/370830390.db2.gz DDXKCLJQMOJBNJ-UHFFFAOYSA-N 1 2 241.316 -0.107 20 0 BBADLO O=C([C@H]1CC1(F)F)N1CC[NH+](CCO)CC1 ZINC000622301267 370831673 /nfs/dbraw/zinc/83/16/73/370831673.db2.gz SNDNLRSHCWIFRM-MRVPVSSYSA-N 1 2 234.246 -0.222 20 0 BBADLO O=C([C@@H]1CC1(F)F)N1CC[NH+](CCO)CC1 ZINC000622301268 370831763 /nfs/dbraw/zinc/83/17/63/370831763.db2.gz SNDNLRSHCWIFRM-QMMMGPOBSA-N 1 2 234.246 -0.222 20 0 BBADLO O=C([C@@H]1CC12CC2)N1CC[NH+](CCO)CC1 ZINC000622301387 370831689 /nfs/dbraw/zinc/83/16/89/370831689.db2.gz XJHMXLSNNAWFHG-JTQLQIEISA-N 1 2 224.304 -0.077 20 0 BBADLO O=C([C@H]1CC12CC2)N1CC[NH+](CCO)CC1 ZINC000622301388 370831790 /nfs/dbraw/zinc/83/17/90/370831790.db2.gz XJHMXLSNNAWFHG-SNVBAGLBSA-N 1 2 224.304 -0.077 20 0 BBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(O)CCOC1 ZINC000622309118 370836997 /nfs/dbraw/zinc/83/69/97/370836997.db2.gz DOYLUDAJZMJEMJ-GXSJLCMTSA-N 1 2 239.275 -0.461 20 0 BBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]1(O)CCOC1 ZINC000622309119 370837194 /nfs/dbraw/zinc/83/71/94/370837194.db2.gz DOYLUDAJZMJEMJ-KOLCDFICSA-N 1 2 239.275 -0.461 20 0 BBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(O)CCOC1 ZINC000622309120 370836636 /nfs/dbraw/zinc/83/66/36/370836636.db2.gz DOYLUDAJZMJEMJ-MWLCHTKSSA-N 1 2 239.275 -0.461 20 0 BBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@]1(O)CCOC1 ZINC000622309121 370837228 /nfs/dbraw/zinc/83/72/28/370837228.db2.gz DOYLUDAJZMJEMJ-ONGXEEELSA-N 1 2 239.275 -0.461 20 0 BBADLO CC1(C)C[N@@H+](CCNC(=O)CO)CCO1 ZINC000622342477 370856423 /nfs/dbraw/zinc/85/64/23/370856423.db2.gz RNNDPGFXXIHCJJ-UHFFFAOYSA-N 1 2 216.281 -0.794 20 0 BBADLO CC1(C)C[N@H+](CCNC(=O)CO)CCO1 ZINC000622342477 370856419 /nfs/dbraw/zinc/85/64/19/370856419.db2.gz RNNDPGFXXIHCJJ-UHFFFAOYSA-N 1 2 216.281 -0.794 20 0 BBADLO CC1(C)COCC[N@H+]1CCNC(=O)CO ZINC000622352106 370862907 /nfs/dbraw/zinc/86/29/07/370862907.db2.gz OVFCQUKUDYLKBC-UHFFFAOYSA-N 1 2 216.281 -0.794 20 0 BBADLO CC1(C)COCC[N@@H+]1CCNC(=O)CO ZINC000622352106 370862902 /nfs/dbraw/zinc/86/29/02/370862902.db2.gz OVFCQUKUDYLKBC-UHFFFAOYSA-N 1 2 216.281 -0.794 20 0 BBADLO Cc1cc(NC(=O)[C@@]2(O)CCOC2)cc[nH+]1 ZINC000622368093 370871843 /nfs/dbraw/zinc/87/18/43/370871843.db2.gz IOAGVUFTGLGSGA-LLVKDONJSA-N 1 2 222.244 -0.098 20 0 BBADLO Cc1cc(NC(=O)[C@]2(O)CCOC2)cc[nH+]1 ZINC000622368094 370871908 /nfs/dbraw/zinc/87/19/08/370871908.db2.gz IOAGVUFTGLGSGA-NSHDSACASA-N 1 2 222.244 -0.098 20 0 BBADLO O=C(N1CC(n2cc[nH+]c2)C1)[C@@]1(O)CCOC1 ZINC000622372538 370876853 /nfs/dbraw/zinc/87/68/53/370876853.db2.gz PLVDLMHXXPKLDF-LLVKDONJSA-N 1 2 237.259 -0.582 20 0 BBADLO O=C(N1CC(n2cc[nH+]c2)C1)[C@]1(O)CCOC1 ZINC000622372539 370876267 /nfs/dbraw/zinc/87/62/67/370876267.db2.gz PLVDLMHXXPKLDF-NSHDSACASA-N 1 2 237.259 -0.582 20 0 BBADLO O=C(CO)NCCCNc1cccc[nH+]1 ZINC000622380396 370878840 /nfs/dbraw/zinc/87/88/40/370878840.db2.gz HICYMMWHRIOVDA-UHFFFAOYSA-N 1 2 209.249 -0.008 20 0 BBADLO CCN(CCCO)C(=O)[C@H]1COCC[N@H+]1CC ZINC000622466750 370938802 /nfs/dbraw/zinc/93/88/02/370938802.db2.gz UIEKBHXNRYDWNU-LLVKDONJSA-N 1 2 244.335 -0.062 20 0 BBADLO CCN(CCCO)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000622466750 370938798 /nfs/dbraw/zinc/93/87/98/370938798.db2.gz UIEKBHXNRYDWNU-LLVKDONJSA-N 1 2 244.335 -0.062 20 0 BBADLO CCN(CCCO)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000622466751 370939285 /nfs/dbraw/zinc/93/92/85/370939285.db2.gz UIEKBHXNRYDWNU-NSHDSACASA-N 1 2 244.335 -0.062 20 0 BBADLO CCN(CCCO)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000622466751 370939281 /nfs/dbraw/zinc/93/92/81/370939281.db2.gz UIEKBHXNRYDWNU-NSHDSACASA-N 1 2 244.335 -0.062 20 0 BBADLO CN(C)C(=O)C[N@@H+](C)CCn1ccccc1=O ZINC000622500581 370961444 /nfs/dbraw/zinc/96/14/44/370961444.db2.gz XZKLTSCQEWKPSJ-UHFFFAOYSA-N 1 2 237.303 -0.132 20 0 BBADLO CN(C)C(=O)C[N@H+](C)CCn1ccccc1=O ZINC000622500581 370961441 /nfs/dbraw/zinc/96/14/41/370961441.db2.gz XZKLTSCQEWKPSJ-UHFFFAOYSA-N 1 2 237.303 -0.132 20 0 BBADLO CC(C)[NH+]1CC(NC(=O)c2cnnn2C)C1 ZINC000622524040 370981868 /nfs/dbraw/zinc/98/18/68/370981868.db2.gz CKXDFDCUAMWCBV-UHFFFAOYSA-N 1 2 223.280 -0.363 20 0 BBADLO CC(C)[NH+]1CC(NC(=O)c2cn(C)nn2)C1 ZINC000622524090 370981956 /nfs/dbraw/zinc/98/19/56/370981956.db2.gz FKQWIGSDABLYEZ-UHFFFAOYSA-N 1 2 223.280 -0.363 20 0 BBADLO Cc1c(C(=O)NC2C[NH+](C(C)C)C2)nnn1C ZINC000622524478 370983454 /nfs/dbraw/zinc/98/34/54/370983454.db2.gz WPTSQETXXUWHFY-UHFFFAOYSA-N 1 2 237.307 -0.054 20 0 BBADLO CC(C)(C(=O)NC[C@@](C)(O)CO)c1c[nH]c[nH+]1 ZINC000622574724 371001526 /nfs/dbraw/zinc/00/15/26/371001526.db2.gz WZCFZBSAVJKNAH-LLVKDONJSA-N 1 2 241.291 -0.453 20 0 BBADLO CC(C)(C(=O)NC[C@](C)(O)CO)c1c[nH]c[nH+]1 ZINC000622574725 371001977 /nfs/dbraw/zinc/00/19/77/371001977.db2.gz WZCFZBSAVJKNAH-NSHDSACASA-N 1 2 241.291 -0.453 20 0 BBADLO CN(Cc1n[nH]c(=O)o1)C(=O)C1([NH+](C)C)CC1 ZINC000622596747 371009834 /nfs/dbraw/zinc/00/98/34/371009834.db2.gz HIXVNGQJFDYAJA-UHFFFAOYSA-N 1 2 240.263 -0.172 20 0 BBADLO C[NH+](C)CC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000622634439 371026540 /nfs/dbraw/zinc/02/65/40/371026540.db2.gz NXPWPDHBECRRGI-UHFFFAOYSA-N 1 2 223.280 -0.140 20 0 BBADLO COCC1(O)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000622641062 371030904 /nfs/dbraw/zinc/03/09/04/371030904.db2.gz BBSHQCUOSZFULL-UHFFFAOYSA-N 1 2 239.275 -0.438 20 0 BBADLO COCC1(O)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000622641383 371030728 /nfs/dbraw/zinc/03/07/28/371030728.db2.gz RNSQEBKKGNUUFU-UHFFFAOYSA-N 1 2 239.275 -0.818 20 0 BBADLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC(=O)N1 ZINC000622647721 371032806 /nfs/dbraw/zinc/03/28/06/371032806.db2.gz AVRBFBCFPZMBET-MRVPVSSYSA-N 1 2 236.275 -0.691 20 0 BBADLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC(=O)N1 ZINC000622647722 371033016 /nfs/dbraw/zinc/03/30/16/371033016.db2.gz AVRBFBCFPZMBET-QMMMGPOBSA-N 1 2 236.275 -0.691 20 0 BBADLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC(=O)N1 ZINC000622648577 371034135 /nfs/dbraw/zinc/03/41/35/371034135.db2.gz ZHNHRLZKOJUILL-MRVPVSSYSA-N 1 2 236.275 -0.311 20 0 BBADLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC(=O)N1 ZINC000622648578 371033633 /nfs/dbraw/zinc/03/36/33/371033633.db2.gz ZHNHRLZKOJUILL-QMMMGPOBSA-N 1 2 236.275 -0.311 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC(C)(CO)C1 ZINC000622649861 371036177 /nfs/dbraw/zinc/03/61/77/371036177.db2.gz KLIGISVHDDUIOB-JTQLQIEISA-N 1 2 242.319 -0.452 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC(C)(CO)C1 ZINC000622649861 371036169 /nfs/dbraw/zinc/03/61/69/371036169.db2.gz KLIGISVHDDUIOB-JTQLQIEISA-N 1 2 242.319 -0.452 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC(C)(CO)C1 ZINC000622649862 371035910 /nfs/dbraw/zinc/03/59/10/371035910.db2.gz KLIGISVHDDUIOB-SNVBAGLBSA-N 1 2 242.319 -0.452 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC(C)(CO)C1 ZINC000622649862 371035907 /nfs/dbraw/zinc/03/59/07/371035907.db2.gz KLIGISVHDDUIOB-SNVBAGLBSA-N 1 2 242.319 -0.452 20 0 BBADLO CNC(=O)C[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000622654480 345768547 /nfs/dbraw/zinc/76/85/47/345768547.db2.gz MQNCOOVCFDUTRN-LURJTMIESA-N 1 2 224.264 -0.027 20 0 BBADLO CNC(=O)C[C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000622654481 345768954 /nfs/dbraw/zinc/76/89/54/345768954.db2.gz MQNCOOVCFDUTRN-ZCFIWIBFSA-N 1 2 224.264 -0.027 20 0 BBADLO CNC(=O)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000622655005 371040996 /nfs/dbraw/zinc/04/09/96/371040996.db2.gz ZCKPDCCOGKODHH-SECBINFHSA-N 1 2 238.291 -0.086 20 0 BBADLO CNC(=O)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000622655006 371040250 /nfs/dbraw/zinc/04/02/50/371040250.db2.gz ZCKPDCCOGKODHH-VIFPVBQESA-N 1 2 238.291 -0.086 20 0 BBADLO CC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)C(=O)NC ZINC000622671910 371049653 /nfs/dbraw/zinc/04/96/53/371049653.db2.gz DICYKJQUNMFPJT-SSDOTTSWSA-N 1 2 224.264 -0.027 20 0 BBADLO CC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)C(=O)NC ZINC000622671911 371047630 /nfs/dbraw/zinc/04/76/30/371047630.db2.gz DICYKJQUNMFPJT-ZETCQYMHSA-N 1 2 224.264 -0.027 20 0 BBADLO CC[C@@H](NC(=O)CCn1cc[nH+]c1)C(=O)NC ZINC000622672629 345792815 /nfs/dbraw/zinc/79/28/15/345792815.db2.gz WMSIGPYEKJSSEU-SECBINFHSA-N 1 2 238.291 -0.086 20 0 BBADLO CC[C@H](NC(=O)CCn1cc[nH+]c1)C(=O)NC ZINC000622672630 345792367 /nfs/dbraw/zinc/79/23/67/345792367.db2.gz WMSIGPYEKJSSEU-VIFPVBQESA-N 1 2 238.291 -0.086 20 0 BBADLO Cn1c[nH+]c(CCNC(=O)Cn2cccn2)c1 ZINC000622685798 371062544 /nfs/dbraw/zinc/06/25/44/371062544.db2.gz KVDTZBLISGSJFV-UHFFFAOYSA-N 1 2 233.275 -0.025 20 0 BBADLO Cn1c[nH+]c(CCNC(=O)c2nccnc2N)c1 ZINC000622685843 371062515 /nfs/dbraw/zinc/06/25/15/371062515.db2.gz MXKFOVUZYMOLDB-UHFFFAOYSA-N 1 2 246.274 -0.235 20 0 BBADLO Cc1[nH]c(C(=O)N[C@H](CO)c2ccnn2C)c[nH+]1 ZINC000622694381 342841393 /nfs/dbraw/zinc/84/13/93/342841393.db2.gz KRLFUJUEAJXHHJ-SECBINFHSA-N 1 2 249.274 -0.085 20 0 BBADLO Cc1[nH]c(C(=O)N[C@@H](CO)c2ccnn2C)c[nH+]1 ZINC000622694382 342841211 /nfs/dbraw/zinc/84/12/11/342841211.db2.gz KRLFUJUEAJXHHJ-VIFPVBQESA-N 1 2 249.274 -0.085 20 0 BBADLO Cn1ccnc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000622708575 343516439 /nfs/dbraw/zinc/51/64/39/343516439.db2.gz AGAPZLHDKQQQBV-MRVPVSSYSA-N 1 2 224.264 -0.311 20 0 BBADLO Cn1ccnc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000622708575 343516436 /nfs/dbraw/zinc/51/64/36/343516436.db2.gz AGAPZLHDKQQQBV-MRVPVSSYSA-N 1 2 224.264 -0.311 20 0 BBADLO Cn1ccnc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000622708576 343516277 /nfs/dbraw/zinc/51/62/77/343516277.db2.gz AGAPZLHDKQQQBV-QMMMGPOBSA-N 1 2 224.264 -0.311 20 0 BBADLO Cn1ccnc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000622708576 343516274 /nfs/dbraw/zinc/51/62/74/343516274.db2.gz AGAPZLHDKQQQBV-QMMMGPOBSA-N 1 2 224.264 -0.311 20 0 BBADLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000622720809 343572802 /nfs/dbraw/zinc/57/28/02/343572802.db2.gz OSVLVIHMVBQWGD-DKTWLAJQSA-N 1 2 223.276 -0.008 20 0 BBADLO CCNC(=O)CNC(=O)CCCn1cc[nH+]c1 ZINC000623246229 355756084 /nfs/dbraw/zinc/75/60/84/355756084.db2.gz ICNUVIVCSVRVCY-UHFFFAOYSA-N 1 2 238.291 -0.084 20 0 BBADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cc(=O)[nH]cn1 ZINC000623254047 355852844 /nfs/dbraw/zinc/85/28/44/355852844.db2.gz CYEPOCFLCUYWOQ-SSDOTTSWSA-N 1 2 245.242 -0.267 20 0 BBADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cc(=O)[nH]cn1 ZINC000623254048 355852922 /nfs/dbraw/zinc/85/29/22/355852922.db2.gz CYEPOCFLCUYWOQ-ZETCQYMHSA-N 1 2 245.242 -0.267 20 0 BBADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000623254667 355855710 /nfs/dbraw/zinc/85/57/10/355855710.db2.gz PLFOEBVGSYXZIB-CPOMMVLXSA-N 1 2 233.271 -0.184 20 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-0.059 20 0 BBADLO CC(C)[C@H](O)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623258386 356070096 /nfs/dbraw/zinc/07/00/96/356070096.db2.gz RJIMGCVNNYOGIN-SCZZXKLOSA-N 1 2 223.276 -0.059 20 0 BBADLO CC(C)[C@@H](O)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623258387 356070330 /nfs/dbraw/zinc/07/03/30/356070330.db2.gz RJIMGCVNNYOGIN-WCBMZHEXSA-N 1 2 223.276 -0.059 20 0 BBADLO CC(C)[C@H](O)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623258388 356069870 /nfs/dbraw/zinc/06/98/70/356069870.db2.gz RJIMGCVNNYOGIN-WPRPVWTQSA-N 1 2 223.276 -0.059 20 0 BBADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H](O)C1CC1 ZINC000623258408 356071462 /nfs/dbraw/zinc/07/14/62/356071462.db2.gz SGXXINUVYXCHNY-PSASIEDQSA-N 1 2 221.260 -0.305 20 0 BBADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H](O)C1CC1 ZINC000623258409 356071592 /nfs/dbraw/zinc/07/15/92/356071592.db2.gz SGXXINUVYXCHNY-SCZZXKLOSA-N 1 2 221.260 -0.305 20 0 BBADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H](O)C1CC1 ZINC000623258410 356071196 /nfs/dbraw/zinc/07/11/96/356071196.db2.gz SGXXINUVYXCHNY-WCBMZHEXSA-N 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/nfs/dbraw/zinc/38/56/19/356385619.db2.gz LGOVIHUTUSVMAU-IUCAKERBSA-N 1 2 221.260 -0.040 20 0 BBADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CCOC1 ZINC000623270643 356385385 /nfs/dbraw/zinc/38/53/85/356385385.db2.gz LGOVIHUTUSVMAU-RKDXNWHRSA-N 1 2 221.260 -0.040 20 0 BBADLO CO[C@H](C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623270648 356385161 /nfs/dbraw/zinc/38/51/61/356385161.db2.gz LLJPBYKMXQKIQA-HTQZYQBOSA-N 1 2 209.249 -0.041 20 0 BBADLO CO[C@@H](C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623270649 356385628 /nfs/dbraw/zinc/38/56/28/356385628.db2.gz LLJPBYKMXQKIQA-JGVFFNPUSA-N 1 2 209.249 -0.041 20 0 BBADLO CO[C@H](C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623270650 356385277 /nfs/dbraw/zinc/38/52/77/356385277.db2.gz LLJPBYKMXQKIQA-SFYZADRCSA-N 1 2 209.249 -0.041 20 0 BBADLO CO[C@@H](C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623270651 356385611 /nfs/dbraw/zinc/38/56/11/356385611.db2.gz LLJPBYKMXQKIQA-YUMQZZPRSA-N 1 2 209.249 -0.041 20 0 BBADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cn[nH]c1 ZINC000623273264 356398875 /nfs/dbraw/zinc/39/88/75/356398875.db2.gz MBLZDYBJQWFSAI-MRVPVSSYSA-N 1 2 217.232 -0.039 20 0 BBADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cn[nH]c1 ZINC000623273265 356400420 /nfs/dbraw/zinc/40/04/20/356400420.db2.gz MBLZDYBJQWFSAI-QMMMGPOBSA-N 1 2 217.232 -0.039 20 0 BBADLO CNC(=O)[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000623273918 356407384 /nfs/dbraw/zinc/40/73/84/356407384.db2.gz URCZGVCDBUBXMY-SECBINFHSA-N 1 2 238.291 -0.086 20 0 BBADLO CNC(=O)[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000623273919 356407712 /nfs/dbraw/zinc/40/77/12/356407712.db2.gz URCZGVCDBUBXMY-VIFPVBQESA-N 1 2 238.291 -0.086 20 0 BBADLO CN1C[C@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1=O ZINC000623274420 356410084 /nfs/dbraw/zinc/41/00/84/356410084.db2.gz MDNHXOCBUIOFHV-BDAKNGLRSA-N 1 2 248.286 -0.598 20 0 BBADLO CN1C[C@@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1=O ZINC000623274421 356410174 /nfs/dbraw/zinc/41/01/74/356410174.db2.gz MDNHXOCBUIOFHV-DTWKUNHWSA-N 1 2 248.286 -0.598 20 0 BBADLO CN1C[C@@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1=O ZINC000623274422 356410180 /nfs/dbraw/zinc/41/01/80/356410180.db2.gz MDNHXOCBUIOFHV-IUCAKERBSA-N 1 2 248.286 -0.598 20 0 BBADLO CN1C[C@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1=O ZINC000623274423 356410115 /nfs/dbraw/zinc/41/01/15/356410115.db2.gz MDNHXOCBUIOFHV-RKDXNWHRSA-N 1 2 248.286 -0.598 20 0 BBADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccn[nH]1 ZINC000623274861 356410082 /nfs/dbraw/zinc/41/00/82/356410082.db2.gz XGULEUQACDNEBY-SSDOTTSWSA-N 1 2 217.232 -0.039 20 0 BBADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccn[nH]1 ZINC000623274862 356410054 /nfs/dbraw/zinc/41/00/54/356410054.db2.gz XGULEUQACDNEBY-ZETCQYMHSA-N 1 2 217.232 -0.039 20 0 BBADLO O=C(Cn1cccn1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623278508 356426299 /nfs/dbraw/zinc/42/62/99/356426299.db2.gz XWWQQXJKVJHRMC-SECBINFHSA-N 1 2 231.259 -0.179 20 0 BBADLO O=C(Cn1cccn1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623278509 356426716 /nfs/dbraw/zinc/42/67/16/356426716.db2.gz XWWQQXJKVJHRMC-VIFPVBQESA-N 1 2 231.259 -0.179 20 0 BBADLO O=C(CN1CCCC1=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623278808 356427622 /nfs/dbraw/zinc/42/76/22/356427622.db2.gz DLHUABLCJBRLJK-SECBINFHSA-N 1 2 248.286 -0.454 20 0 BBADLO O=C(CN1CCCC1=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623278809 356427510 /nfs/dbraw/zinc/42/75/10/356427510.db2.gz DLHUABLCJBRLJK-VIFPVBQESA-N 1 2 248.286 -0.454 20 0 BBADLO Cn1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cn1 ZINC000623279220 356427551 /nfs/dbraw/zinc/42/75/51/356427551.db2.gz POFUIHWMKPWZHP-SECBINFHSA-N 1 2 231.259 -0.029 20 0 BBADLO Cn1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cn1 ZINC000623279221 356427446 /nfs/dbraw/zinc/42/74/46/356427446.db2.gz POFUIHWMKPWZHP-VIFPVBQESA-N 1 2 231.259 -0.029 20 0 BBADLO CCOCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623281890 356466413 /nfs/dbraw/zinc/46/64/13/356466413.db2.gz GKKHSQMJLLMPFG-MRVPVSSYSA-N 1 2 209.249 -0.040 20 0 BBADLO CCOCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623281891 356466573 /nfs/dbraw/zinc/46/65/73/356466573.db2.gz GKKHSQMJLLMPFG-QMMMGPOBSA-N 1 2 209.249 -0.040 20 0 BBADLO Nc1ncc2c(n1)C[N@@H+](CCc1c[nH]nn1)CC2 ZINC000623292171 411934153 /nfs/dbraw/zinc/93/41/53/411934153.db2.gz DDPAEUWDYBOEHM-UHFFFAOYSA-N 1 2 245.290 -0.222 20 0 BBADLO CN(C)C(=O)C[N@H+]1CCc2cnc(N)nc2C1 ZINC000623292526 411906743 /nfs/dbraw/zinc/90/67/43/411906743.db2.gz RHVVOOFICBCEHO-UHFFFAOYSA-N 1 2 235.291 -0.495 20 0 BBADLO CN(C)C(=O)C[N@@H+]1CCc2cnc(N)nc2C1 ZINC000623292526 411906739 /nfs/dbraw/zinc/90/67/39/411906739.db2.gz RHVVOOFICBCEHO-UHFFFAOYSA-N 1 2 235.291 -0.495 20 0 BBADLO CCCNC(=O)C[N@H+]1CCc2cnc(N)nc2C1 ZINC000623292568 411909902 /nfs/dbraw/zinc/90/99/02/411909902.db2.gz SQZRQLNWLRSICX-UHFFFAOYSA-N 1 2 249.318 -0.057 20 0 BBADLO CCCNC(=O)C[N@@H+]1CCc2cnc(N)nc2C1 ZINC000623292568 411909901 /nfs/dbraw/zinc/90/99/01/411909901.db2.gz SQZRQLNWLRSICX-UHFFFAOYSA-N 1 2 249.318 -0.057 20 0 BBADLO Nc1ncc2c(n1)C[N@@H+]([C@H]1CCCNC1=O)CC2 ZINC000623293452 411938172 /nfs/dbraw/zinc/93/81/72/411938172.db2.gz WFKYVOWKAJWTPP-JTQLQIEISA-N 1 2 247.302 -0.305 20 0 BBADLO Nc1ncc2c(n1)C[N@H+]([C@H]1CCCNC1=O)CC2 ZINC000623293452 411938168 /nfs/dbraw/zinc/93/81/68/411938168.db2.gz WFKYVOWKAJWTPP-JTQLQIEISA-N 1 2 247.302 -0.305 20 0 BBADLO Nc1ncc2c(n1)C[N@@H+]([C@@H]1CCCNC1=O)CC2 ZINC000623293453 411937359 /nfs/dbraw/zinc/93/73/59/411937359.db2.gz WFKYVOWKAJWTPP-SNVBAGLBSA-N 1 2 247.302 -0.305 20 0 BBADLO Nc1ncc2c(n1)C[N@H+]([C@@H]1CCCNC1=O)CC2 ZINC000623293453 411937356 /nfs/dbraw/zinc/93/73/56/411937356.db2.gz WFKYVOWKAJWTPP-SNVBAGLBSA-N 1 2 247.302 -0.305 20 0 BBADLO CN1CC[C@H]([N@H+]2CCc3cnc(N)nc3C2)C1=O ZINC000623294112 411895069 /nfs/dbraw/zinc/89/50/69/411895069.db2.gz SEENHJHXJLHQPZ-JTQLQIEISA-N 1 2 247.302 -0.352 20 0 BBADLO CN1CC[C@H]([N@@H+]2CCc3cnc(N)nc3C2)C1=O ZINC000623294112 411895063 /nfs/dbraw/zinc/89/50/63/411895063.db2.gz SEENHJHXJLHQPZ-JTQLQIEISA-N 1 2 247.302 -0.352 20 0 BBADLO CN1CC[C@@H]([N@H+]2CCc3cnc(N)nc3C2)C1=O ZINC000623294113 411895594 /nfs/dbraw/zinc/89/55/94/411895594.db2.gz SEENHJHXJLHQPZ-SNVBAGLBSA-N 1 2 247.302 -0.352 20 0 BBADLO CN1CC[C@@H]([N@@H+]2CCc3cnc(N)nc3C2)C1=O ZINC000623294113 411895590 /nfs/dbraw/zinc/89/55/90/411895590.db2.gz SEENHJHXJLHQPZ-SNVBAGLBSA-N 1 2 247.302 -0.352 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1CCc2cnc(N)nc2C1 ZINC000623294158 411246356 /nfs/dbraw/zinc/24/63/56/411246356.db2.gz UZZBUCRVXZYCMJ-SECBINFHSA-N 1 2 235.291 -0.319 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1CCc2cnc(N)nc2C1 ZINC000623294158 411246352 /nfs/dbraw/zinc/24/63/52/411246352.db2.gz UZZBUCRVXZYCMJ-SECBINFHSA-N 1 2 235.291 -0.319 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+]1CCc2cnc(N)nc2C1 ZINC000623294159 411873797 /nfs/dbraw/zinc/87/37/97/411873797.db2.gz UZZBUCRVXZYCMJ-VIFPVBQESA-N 1 2 235.291 -0.319 20 0 BBADLO CC[C@@H](C(N)=O)[N@@H+]1CCc2cnc(N)nc2C1 ZINC000623294159 411873794 /nfs/dbraw/zinc/87/37/94/411873794.db2.gz UZZBUCRVXZYCMJ-VIFPVBQESA-N 1 2 235.291 -0.319 20 0 BBADLO CCN(C)C(=O)C[N@H+]1CCc2cnc(N)nc2C1 ZINC000623294560 411852865 /nfs/dbraw/zinc/85/28/65/411852865.db2.gz GKSBVYLDNGLDRA-UHFFFAOYSA-N 1 2 249.318 -0.105 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1CCc2cnc(N)nc2C1 ZINC000623294560 411852859 /nfs/dbraw/zinc/85/28/59/411852859.db2.gz GKSBVYLDNGLDRA-UHFFFAOYSA-N 1 2 249.318 -0.105 20 0 BBADLO Nc1ncc2c(n1)C[N@H+](CC(=O)N1CCC1)CC2 ZINC000623295062 411935022 /nfs/dbraw/zinc/93/50/22/411935022.db2.gz WVPLCDKRXHKQDI-UHFFFAOYSA-N 1 2 247.302 -0.351 20 0 BBADLO Nc1ncc2c(n1)C[N@@H+](CC(=O)N1CCC1)CC2 ZINC000623295062 411935020 /nfs/dbraw/zinc/93/50/20/411935020.db2.gz WVPLCDKRXHKQDI-UHFFFAOYSA-N 1 2 247.302 -0.351 20 0 BBADLO Nc1ncc2c(n1)C[N@H+](CC(=O)NC1CC1)CC2 ZINC000623295242 411935585 /nfs/dbraw/zinc/93/55/85/411935585.db2.gz BCXCFUZWBQBDRD-UHFFFAOYSA-N 1 2 247.302 -0.305 20 0 BBADLO Nc1ncc2c(n1)C[N@@H+](CC(=O)NC1CC1)CC2 ZINC000623295242 411935581 /nfs/dbraw/zinc/93/55/81/411935581.db2.gz BCXCFUZWBQBDRD-UHFFFAOYSA-N 1 2 247.302 -0.305 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@H+]1CCc2cnc(N)nc2C1 ZINC000623295329 411917221 /nfs/dbraw/zinc/91/72/21/411917221.db2.gz DHFQSABLWJRLBM-MRVPVSSYSA-N 1 2 249.318 -0.106 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCc2cnc(N)nc2C1 ZINC000623295329 411917219 /nfs/dbraw/zinc/91/72/19/411917219.db2.gz DHFQSABLWJRLBM-MRVPVSSYSA-N 1 2 249.318 -0.106 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCc2cnc(N)nc2C1 ZINC000623295330 411874810 /nfs/dbraw/zinc/87/48/10/411874810.db2.gz DHFQSABLWJRLBM-QMMMGPOBSA-N 1 2 249.318 -0.106 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCc2cnc(N)nc2C1 ZINC000623295330 411874805 /nfs/dbraw/zinc/87/48/05/411874805.db2.gz DHFQSABLWJRLBM-QMMMGPOBSA-N 1 2 249.318 -0.106 20 0 BBADLO CC(C)NC(=O)C[N@H+]1CCc2cnc(N)nc2C1 ZINC000623295372 411872567 /nfs/dbraw/zinc/87/25/67/411872567.db2.gz FVJLQQJEFYMVFR-UHFFFAOYSA-N 1 2 249.318 -0.059 20 0 BBADLO CC(C)NC(=O)C[N@@H+]1CCc2cnc(N)nc2C1 ZINC000623295372 411872565 /nfs/dbraw/zinc/87/25/65/411872565.db2.gz FVJLQQJEFYMVFR-UHFFFAOYSA-N 1 2 249.318 -0.059 20 0 BBADLO CCNC(=O)C[N@H+]1CCc2cnc(N)nc2C1 ZINC000623295957 411861385 /nfs/dbraw/zinc/86/13/85/411861385.db2.gz YNTSREXJNBZGQR-UHFFFAOYSA-N 1 2 235.291 -0.447 20 0 BBADLO CCNC(=O)C[N@@H+]1CCc2cnc(N)nc2C1 ZINC000623295957 411861381 /nfs/dbraw/zinc/86/13/81/411861381.db2.gz YNTSREXJNBZGQR-UHFFFAOYSA-N 1 2 235.291 -0.447 20 0 BBADLO CCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623337762 356731403 /nfs/dbraw/zinc/73/14/03/356731403.db2.gz WCAZMSUTQICROH-MRVPVSSYSA-N 1 2 201.270 -0.364 20 0 BBADLO CCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623337762 356731401 /nfs/dbraw/zinc/73/14/01/356731401.db2.gz WCAZMSUTQICROH-MRVPVSSYSA-N 1 2 201.270 -0.364 20 0 BBADLO CCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623337765 356731220 /nfs/dbraw/zinc/73/12/20/356731220.db2.gz WCAZMSUTQICROH-QMMMGPOBSA-N 1 2 201.270 -0.364 20 0 BBADLO CCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623337765 356731216 /nfs/dbraw/zinc/73/12/16/356731216.db2.gz WCAZMSUTQICROH-QMMMGPOBSA-N 1 2 201.270 -0.364 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)NC1CC1 ZINC000623337921 356732277 /nfs/dbraw/zinc/73/22/77/356732277.db2.gz BLRMTCVAJBJFLS-SECBINFHSA-N 1 2 213.281 -0.221 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NC1CC1 ZINC000623337921 356732269 /nfs/dbraw/zinc/73/22/69/356732269.db2.gz BLRMTCVAJBJFLS-SECBINFHSA-N 1 2 213.281 -0.221 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NC1CC1 ZINC000623337922 356732109 /nfs/dbraw/zinc/73/21/09/356732109.db2.gz BLRMTCVAJBJFLS-VIFPVBQESA-N 1 2 213.281 -0.221 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NC1CC1 ZINC000623337922 356732108 /nfs/dbraw/zinc/73/21/08/356732108.db2.gz BLRMTCVAJBJFLS-VIFPVBQESA-N 1 2 213.281 -0.221 20 0 BBADLO COC[C@@H](C)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623378555 356901623 /nfs/dbraw/zinc/90/16/23/356901623.db2.gz GYOQSOUSCUKUSP-NXEZZACHSA-N 1 2 245.323 -0.349 20 0 BBADLO COC[C@@H](C)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623378555 356901622 /nfs/dbraw/zinc/90/16/22/356901622.db2.gz GYOQSOUSCUKUSP-NXEZZACHSA-N 1 2 245.323 -0.349 20 0 BBADLO COC[C@H](C)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623378556 356901677 /nfs/dbraw/zinc/90/16/77/356901677.db2.gz GYOQSOUSCUKUSP-UWVGGRQHSA-N 1 2 245.323 -0.349 20 0 BBADLO COC[C@H](C)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623378556 356901676 /nfs/dbraw/zinc/90/16/76/356901676.db2.gz GYOQSOUSCUKUSP-UWVGGRQHSA-N 1 2 245.323 -0.349 20 0 BBADLO COC[C@H](C)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623378557 356901546 /nfs/dbraw/zinc/90/15/46/356901546.db2.gz GYOQSOUSCUKUSP-VHSXEESVSA-N 1 2 245.323 -0.349 20 0 BBADLO COC[C@H](C)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623378557 356901545 /nfs/dbraw/zinc/90/15/45/356901545.db2.gz GYOQSOUSCUKUSP-VHSXEESVSA-N 1 2 245.323 -0.349 20 0 BBADLO COC[C@@H](C)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623378558 356901577 /nfs/dbraw/zinc/90/15/77/356901577.db2.gz GYOQSOUSCUKUSP-ZJUUUORDSA-N 1 2 245.323 -0.349 20 0 BBADLO COC[C@@H](C)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623378558 356901576 /nfs/dbraw/zinc/90/15/76/356901576.db2.gz GYOQSOUSCUKUSP-ZJUUUORDSA-N 1 2 245.323 -0.349 20 0 BBADLO COC1CC(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000623381293 356905330 /nfs/dbraw/zinc/90/53/30/356905330.db2.gz LRCAMUZHQWZANE-UHFFFAOYSA-N 1 2 242.319 -0.140 20 0 BBADLO O=C(NCC[NH+]1CCOCC1)NCC1COC1 ZINC000623394086 357004012 /nfs/dbraw/zinc/00/40/12/357004012.db2.gz ZBFDYHBVJYQCBE-UHFFFAOYSA-N 1 2 243.307 -0.736 20 0 BBADLO CCOCCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623453364 359451831 /nfs/dbraw/zinc/45/18/31/359451831.db2.gz LQNSVYKJDUFXJJ-JTQLQIEISA-N 1 2 245.323 -0.347 20 0 BBADLO CCOCCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623453364 359451826 /nfs/dbraw/zinc/45/18/26/359451826.db2.gz LQNSVYKJDUFXJJ-JTQLQIEISA-N 1 2 245.323 -0.347 20 0 BBADLO CCOCCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623453365 359452263 /nfs/dbraw/zinc/45/22/63/359452263.db2.gz LQNSVYKJDUFXJJ-SNVBAGLBSA-N 1 2 245.323 -0.347 20 0 BBADLO CCOCCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623453365 359452260 /nfs/dbraw/zinc/45/22/60/359452260.db2.gz LQNSVYKJDUFXJJ-SNVBAGLBSA-N 1 2 245.323 -0.347 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)NCC(F)F ZINC000623684837 369402643 /nfs/dbraw/zinc/40/26/43/369402643.db2.gz VZKQLCYQUUVFHH-SSDOTTSWSA-N 1 2 237.250 -0.119 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCC(F)F ZINC000623684837 369402639 /nfs/dbraw/zinc/40/26/39/369402639.db2.gz VZKQLCYQUUVFHH-SSDOTTSWSA-N 1 2 237.250 -0.119 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCC(F)F ZINC000623684838 369402615 /nfs/dbraw/zinc/40/26/15/369402615.db2.gz VZKQLCYQUUVFHH-ZETCQYMHSA-N 1 2 237.250 -0.119 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC(F)F ZINC000623684838 369402610 /nfs/dbraw/zinc/40/26/10/369402610.db2.gz VZKQLCYQUUVFHH-ZETCQYMHSA-N 1 2 237.250 -0.119 20 0 BBADLO CN1CCOC[C@@H]1C[NH2+]Cc1ccn[nH]1 ZINC000623711874 362982913 /nfs/dbraw/zinc/98/29/13/362982913.db2.gz RCIRVRMYTPZUEW-JTQLQIEISA-N 1 2 210.281 -0.170 20 0 BBADLO CN1CCOC[C@H]1C[NH2+]Cc1ccn[nH]1 ZINC000623711875 362983867 /nfs/dbraw/zinc/98/38/67/362983867.db2.gz RCIRVRMYTPZUEW-SNVBAGLBSA-N 1 2 210.281 -0.170 20 0 BBADLO Cc1[nH]ncc1C[NH2+][C@@H]1CCOC[C@H]1O ZINC000623764879 359633459 /nfs/dbraw/zinc/63/34/59/359633459.db2.gz LGKWGEXEGQJCSL-NXEZZACHSA-N 1 2 211.265 -0.042 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)NCCCF ZINC000623778554 371089862 /nfs/dbraw/zinc/08/98/62/371089862.db2.gz UZMQUHYRPNIQOR-SECBINFHSA-N 1 2 233.287 -0.024 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCCCF ZINC000623778554 371089857 /nfs/dbraw/zinc/08/98/57/371089857.db2.gz UZMQUHYRPNIQOR-SECBINFHSA-N 1 2 233.287 -0.024 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCCCF ZINC000623778555 371089354 /nfs/dbraw/zinc/08/93/54/371089354.db2.gz UZMQUHYRPNIQOR-VIFPVBQESA-N 1 2 233.287 -0.024 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCCF ZINC000623778555 371089347 /nfs/dbraw/zinc/08/93/47/371089347.db2.gz UZMQUHYRPNIQOR-VIFPVBQESA-N 1 2 233.287 -0.024 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CCOC1 ZINC000623797751 398312502 /nfs/dbraw/zinc/31/25/02/398312502.db2.gz AGTKERYQCUIATQ-NXEZZACHSA-N 1 2 243.307 -0.595 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CCOC1 ZINC000623797751 398312500 /nfs/dbraw/zinc/31/25/00/398312500.db2.gz AGTKERYQCUIATQ-NXEZZACHSA-N 1 2 243.307 -0.595 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CCOC1 ZINC000623797752 398312448 /nfs/dbraw/zinc/31/24/48/398312448.db2.gz AGTKERYQCUIATQ-UWVGGRQHSA-N 1 2 243.307 -0.595 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CCOC1 ZINC000623797752 398312446 /nfs/dbraw/zinc/31/24/46/398312446.db2.gz AGTKERYQCUIATQ-UWVGGRQHSA-N 1 2 243.307 -0.595 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)N[C@H]1CCOC1 ZINC000623797753 398312460 /nfs/dbraw/zinc/31/24/60/398312460.db2.gz AGTKERYQCUIATQ-VHSXEESVSA-N 1 2 243.307 -0.595 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@H]1CCOC1 ZINC000623797753 398312459 /nfs/dbraw/zinc/31/24/59/398312459.db2.gz AGTKERYQCUIATQ-VHSXEESVSA-N 1 2 243.307 -0.595 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CCOC1 ZINC000623797754 398312486 /nfs/dbraw/zinc/31/24/86/398312486.db2.gz AGTKERYQCUIATQ-ZJUUUORDSA-N 1 2 243.307 -0.595 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CCOC1 ZINC000623797754 398312484 /nfs/dbraw/zinc/31/24/84/398312484.db2.gz AGTKERYQCUIATQ-ZJUUUORDSA-N 1 2 243.307 -0.595 20 0 BBADLO O=C(N1CC[NH+](CCO)CC1)C12CC(C1)C2 ZINC000623936203 357150473 /nfs/dbraw/zinc/15/04/73/357150473.db2.gz KBWRQGBUEZZVTG-UHFFFAOYSA-N 1 2 224.304 -0.077 20 0 BBADLO COC1CC(C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000623936279 371165744 /nfs/dbraw/zinc/16/57/44/371165744.db2.gz NQSPFORRKAMDJX-UHFFFAOYSA-N 1 2 242.319 -0.452 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)NCCF ZINC000623987784 371221060 /nfs/dbraw/zinc/22/10/60/371221060.db2.gz OHUIKNJYONKCLQ-MRVPVSSYSA-N 1 2 219.260 -0.414 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCCF ZINC000623987784 371221057 /nfs/dbraw/zinc/22/10/57/371221057.db2.gz OHUIKNJYONKCLQ-MRVPVSSYSA-N 1 2 219.260 -0.414 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCCF ZINC000623987785 371221287 /nfs/dbraw/zinc/22/12/87/371221287.db2.gz OHUIKNJYONKCLQ-QMMMGPOBSA-N 1 2 219.260 -0.414 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCF ZINC000623987785 371221283 /nfs/dbraw/zinc/22/12/83/371221283.db2.gz OHUIKNJYONKCLQ-QMMMGPOBSA-N 1 2 219.260 -0.414 20 0 BBADLO Cc1cc(C[C@@H](C)Nc2nc(N)[nH+]c(N)n2)[nH]n1 ZINC000624047963 371273380 /nfs/dbraw/zinc/27/33/80/371273380.db2.gz XQISVDBTNAIONN-RXMQYKEDSA-N 1 2 248.294 -0.807 20 0 BBADLO Cc1cc(C[C@@H](C)Nc2nc(N)[nH+]c(N)n2)n[nH]1 ZINC000624047963 371273376 /nfs/dbraw/zinc/27/33/76/371273376.db2.gz XQISVDBTNAIONN-RXMQYKEDSA-N 1 2 248.294 -0.807 20 0 BBADLO Cc1cc(C[C@H](C)Nc2nc(N)[nH+]c(N)n2)[nH]n1 ZINC000624047964 371273744 /nfs/dbraw/zinc/27/37/44/371273744.db2.gz XQISVDBTNAIONN-YFKPBYRVSA-N 1 2 248.294 -0.807 20 0 BBADLO Cc1cc(C[C@H](C)Nc2nc(N)[nH+]c(N)n2)n[nH]1 ZINC000624047964 371273741 /nfs/dbraw/zinc/27/37/41/371273741.db2.gz XQISVDBTNAIONN-YFKPBYRVSA-N 1 2 248.294 -0.807 20 0 BBADLO C[C@H](CF)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000624069577 371290161 /nfs/dbraw/zinc/29/01/61/371290161.db2.gz QZTCFMQDLARLSJ-BDAKNGLRSA-N 1 2 233.287 -0.026 20 0 BBADLO C[C@H](CF)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624069577 371290153 /nfs/dbraw/zinc/29/01/53/371290153.db2.gz QZTCFMQDLARLSJ-BDAKNGLRSA-N 1 2 233.287 -0.026 20 0 BBADLO C[C@@H](CF)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624069581 371289471 /nfs/dbraw/zinc/28/94/71/371289471.db2.gz QZTCFMQDLARLSJ-DTWKUNHWSA-N 1 2 233.287 -0.026 20 0 BBADLO C[C@@H](CF)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624069581 371289469 /nfs/dbraw/zinc/28/94/69/371289469.db2.gz QZTCFMQDLARLSJ-DTWKUNHWSA-N 1 2 233.287 -0.026 20 0 BBADLO C[C@@H](CF)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000624069582 371289903 /nfs/dbraw/zinc/28/99/03/371289903.db2.gz QZTCFMQDLARLSJ-IUCAKERBSA-N 1 2 233.287 -0.026 20 0 BBADLO C[C@@H](CF)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624069582 371289898 /nfs/dbraw/zinc/28/98/98/371289898.db2.gz QZTCFMQDLARLSJ-IUCAKERBSA-N 1 2 233.287 -0.026 20 0 BBADLO C[C@H](CF)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624069583 371289613 /nfs/dbraw/zinc/28/96/13/371289613.db2.gz QZTCFMQDLARLSJ-RKDXNWHRSA-N 1 2 233.287 -0.026 20 0 BBADLO C[C@H](CF)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624069583 371289611 /nfs/dbraw/zinc/28/96/11/371289611.db2.gz QZTCFMQDLARLSJ-RKDXNWHRSA-N 1 2 233.287 -0.026 20 0 BBADLO Nc1nc(N2CCCCCO2)nc(N)[nH+]1 ZINC000624151588 371348894 /nfs/dbraw/zinc/34/88/94/371348894.db2.gz VKUGGIJPPZZECG-UHFFFAOYSA-N 1 2 210.241 -0.381 20 0 BBADLO Nc1nc(Nc2cc3n(n2)CCCC3)nc(N)[nH+]1 ZINC000624218128 411974836 /nfs/dbraw/zinc/97/48/36/411974836.db2.gz STLKBHWWEAGGOL-UHFFFAOYSA-N 1 2 246.278 -0.435 20 0 BBADLO Cn1[nH]c(=[NH+]c2nc(N)nc(N)n2)cc1C1CC1 ZINC000624231823 411940155 /nfs/dbraw/zinc/94/01/55/411940155.db2.gz LVZMKVJRLCUJFB-UHFFFAOYSA-N 1 2 246.278 -0.357 20 0 BBADLO CO[C@@H](C)CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000624359367 343737163 /nfs/dbraw/zinc/73/71/63/343737163.db2.gz IMCAIAUGZRAYHU-UWVGGRQHSA-N 1 2 245.323 -0.349 20 0 BBADLO CO[C@@H](C)CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624359367 343737162 /nfs/dbraw/zinc/73/71/62/343737162.db2.gz IMCAIAUGZRAYHU-UWVGGRQHSA-N 1 2 245.323 -0.349 20 0 BBADLO CO[C@@H](C)CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624359368 343737247 /nfs/dbraw/zinc/73/72/47/343737247.db2.gz IMCAIAUGZRAYHU-VHSXEESVSA-N 1 2 245.323 -0.349 20 0 BBADLO CO[C@@H](C)CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624359368 343737245 /nfs/dbraw/zinc/73/72/45/343737245.db2.gz IMCAIAUGZRAYHU-VHSXEESVSA-N 1 2 245.323 -0.349 20 0 BBADLO CO[C@H](C)CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624361366 371492756 /nfs/dbraw/zinc/49/27/56/371492756.db2.gz IMCAIAUGZRAYHU-NXEZZACHSA-N 1 2 245.323 -0.349 20 0 BBADLO CO[C@H](C)CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624361366 371492753 /nfs/dbraw/zinc/49/27/53/371492753.db2.gz IMCAIAUGZRAYHU-NXEZZACHSA-N 1 2 245.323 -0.349 20 0 BBADLO CO[C@H](C)CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000624361367 371492681 /nfs/dbraw/zinc/49/26/81/371492681.db2.gz IMCAIAUGZRAYHU-ZJUUUORDSA-N 1 2 245.323 -0.349 20 0 BBADLO CO[C@H](C)CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624361367 371492677 /nfs/dbraw/zinc/49/26/77/371492677.db2.gz IMCAIAUGZRAYHU-ZJUUUORDSA-N 1 2 245.323 -0.349 20 0 BBADLO CN(CC(N)=O)c1ncnc2c1C[N@@H+](C)CC2 ZINC000624447746 371511581 /nfs/dbraw/zinc/51/15/81/371511581.db2.gz ZAGUGUQCTRROMR-UHFFFAOYSA-N 1 2 235.291 -0.614 20 0 BBADLO CN(CC(N)=O)c1ncnc2c1C[N@H+](C)CC2 ZINC000624447746 371511576 /nfs/dbraw/zinc/51/15/76/371511576.db2.gz ZAGUGUQCTRROMR-UHFFFAOYSA-N 1 2 235.291 -0.614 20 0 BBADLO C[C@@H](Nc1ncnc2c1C[N@@H+](C)CC2)C(N)=O ZINC000624449844 371511466 /nfs/dbraw/zinc/51/14/66/371511466.db2.gz YZFMRLAKROXAJV-SSDOTTSWSA-N 1 2 235.291 -0.250 20 0 BBADLO C[C@@H](Nc1ncnc2c1C[N@H+](C)CC2)C(N)=O ZINC000624449844 371511461 /nfs/dbraw/zinc/51/14/61/371511461.db2.gz YZFMRLAKROXAJV-SSDOTTSWSA-N 1 2 235.291 -0.250 20 0 BBADLO C[C@H](Nc1ncnc2c1C[N@@H+](C)CC2)C(N)=O ZINC000624449845 371512304 /nfs/dbraw/zinc/51/23/04/371512304.db2.gz YZFMRLAKROXAJV-ZETCQYMHSA-N 1 2 235.291 -0.250 20 0 BBADLO C[C@H](Nc1ncnc2c1C[N@H+](C)CC2)C(N)=O ZINC000624449845 371512296 /nfs/dbraw/zinc/51/22/96/371512296.db2.gz YZFMRLAKROXAJV-ZETCQYMHSA-N 1 2 235.291 -0.250 20 0 BBADLO Nc1nc(N2C[C@H](O)[C@@H](O)C2)[nH+]c2ccccc12 ZINC000624480679 411941749 /nfs/dbraw/zinc/94/17/49/411941749.db2.gz VKLJUZUCYWYSEV-UWVGGRQHSA-N 1 2 246.270 -0.246 20 0 BBADLO O[C@H]1CN(c2cc(NC3CC3)nc[nH+]2)C[C@@H]1O ZINC000624481258 343904339 /nfs/dbraw/zinc/90/43/39/343904339.db2.gz YVSHFCYICIXCAQ-IUCAKERBSA-N 1 2 236.275 -0.407 20 0 BBADLO O[C@H]1CN(c2cc(NC3CC3)[nH+]cn2)C[C@@H]1O ZINC000624481258 343904335 /nfs/dbraw/zinc/90/43/35/343904335.db2.gz YVSHFCYICIXCAQ-IUCAKERBSA-N 1 2 236.275 -0.407 20 0 BBADLO COc1c(N)nc[nH+]c1N[C@H]1C[C@H](C(N)=O)C1 ZINC000624541962 344004101 /nfs/dbraw/zinc/00/41/01/344004101.db2.gz POFSREWKJAYSJF-IZLXSQMJSA-N 1 2 237.263 -0.257 20 0 BBADLO COc1c(N)[nH+]cnc1N[C@H]1C[C@H](C(N)=O)C1 ZINC000624541962 344004098 /nfs/dbraw/zinc/00/40/98/344004098.db2.gz POFSREWKJAYSJF-IZLXSQMJSA-N 1 2 237.263 -0.257 20 0 BBADLO NC(=O)[C@H]1C[C@H](Nc2[nH+]cnc3c2OCCN3)C1 ZINC000624542056 344003993 /nfs/dbraw/zinc/00/39/93/344003993.db2.gz URAIXSPOWDPDJD-LJGSYFOKSA-N 1 2 249.274 -0.043 20 0 BBADLO NC(=O)[C@H]1C[C@H](Nc2nc[nH+]c3c2OCCN3)C1 ZINC000624542056 344003989 /nfs/dbraw/zinc/00/39/89/344003989.db2.gz URAIXSPOWDPDJD-LJGSYFOKSA-N 1 2 249.274 -0.043 20 0 BBADLO Cc1nc(N2CC(NS(C)(=O)=O)C2)cc[nH+]1 ZINC000624547329 371538066 /nfs/dbraw/zinc/53/80/66/371538066.db2.gz APTNXGCRERAUIK-UHFFFAOYSA-N 1 2 242.304 -0.477 20 0 BBADLO Cc1cc(N2CC(NS(C)(=O)=O)C2)nc[nH+]1 ZINC000624547337 371537864 /nfs/dbraw/zinc/53/78/64/371537864.db2.gz BCNNOTOGXNMNJI-UHFFFAOYSA-N 1 2 242.304 -0.477 20 0 BBADLO C[N@H+]1CCOC[C@H]1CN=c1ncnc2[nH][nH]cc1-2 ZINC000624618861 344104923 /nfs/dbraw/zinc/10/49/23/344104923.db2.gz NLXZPHMBVIFDKB-MRVPVSSYSA-N 1 2 248.290 -0.531 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CN=c1ncnc2[nH][nH]cc1-2 ZINC000624618861 344104921 /nfs/dbraw/zinc/10/49/21/344104921.db2.gz NLXZPHMBVIFDKB-MRVPVSSYSA-N 1 2 248.290 -0.531 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CN=c1ncnc2[nH][nH]cc1-2 ZINC000624618862 344105858 /nfs/dbraw/zinc/10/58/58/344105858.db2.gz NLXZPHMBVIFDKB-QMMMGPOBSA-N 1 2 248.290 -0.531 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CN=c1ncnc2[nH][nH]cc1-2 ZINC000624618862 344105854 /nfs/dbraw/zinc/10/58/54/344105854.db2.gz NLXZPHMBVIFDKB-QMMMGPOBSA-N 1 2 248.290 -0.531 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNc1ccc2nncn2n1 ZINC000624619034 412255811 /nfs/dbraw/zinc/25/58/11/412255811.db2.gz SBDPEHGDHMQCEB-SECBINFHSA-N 1 2 248.290 -0.133 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNc1ccc2nncn2n1 ZINC000624619034 412255808 /nfs/dbraw/zinc/25/58/08/412255808.db2.gz SBDPEHGDHMQCEB-SECBINFHSA-N 1 2 248.290 -0.133 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNc1ccc2nncn2n1 ZINC000624619035 412255483 /nfs/dbraw/zinc/25/54/83/412255483.db2.gz SBDPEHGDHMQCEB-VIFPVBQESA-N 1 2 248.290 -0.133 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNc1ccc2nncn2n1 ZINC000624619035 412255481 /nfs/dbraw/zinc/25/54/81/412255481.db2.gz SBDPEHGDHMQCEB-VIFPVBQESA-N 1 2 248.290 -0.133 20 0 BBADLO Cn1ccnc(NC[C@@H]2COCC[N@H+]2C)c1=O ZINC000624619702 412137171 /nfs/dbraw/zinc/13/71/71/412137171.db2.gz JHIANUMYRGHNIC-SECBINFHSA-N 1 2 238.291 -0.477 20 0 BBADLO Cn1ccnc(NC[C@@H]2COCC[N@@H+]2C)c1=O ZINC000624619702 412137166 /nfs/dbraw/zinc/13/71/66/412137166.db2.gz JHIANUMYRGHNIC-SECBINFHSA-N 1 2 238.291 -0.477 20 0 BBADLO Cn1ccnc(NC[C@H]2COCC[N@H+]2C)c1=O ZINC000624619703 412138927 /nfs/dbraw/zinc/13/89/27/412138927.db2.gz JHIANUMYRGHNIC-VIFPVBQESA-N 1 2 238.291 -0.477 20 0 BBADLO Cn1ccnc(NC[C@H]2COCC[N@@H+]2C)c1=O ZINC000624619703 412138925 /nfs/dbraw/zinc/13/89/25/412138925.db2.gz JHIANUMYRGHNIC-VIFPVBQESA-N 1 2 238.291 -0.477 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNc1nccn2nnnc12 ZINC000624619801 412256795 /nfs/dbraw/zinc/25/67/95/412256795.db2.gz MQXLIQSTDGMUCA-MRVPVSSYSA-N 1 2 249.278 -0.738 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNc1nccn2nnnc12 ZINC000624619801 412256792 /nfs/dbraw/zinc/25/67/92/412256792.db2.gz MQXLIQSTDGMUCA-MRVPVSSYSA-N 1 2 249.278 -0.738 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNc1nccn2nnnc12 ZINC000624619802 412254496 /nfs/dbraw/zinc/25/44/96/412254496.db2.gz MQXLIQSTDGMUCA-QMMMGPOBSA-N 1 2 249.278 -0.738 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNc1nccn2nnnc12 ZINC000624619802 412254493 /nfs/dbraw/zinc/25/44/93/412254493.db2.gz MQXLIQSTDGMUCA-QMMMGPOBSA-N 1 2 249.278 -0.738 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNc1nccn2cnnc12 ZINC000624620254 412256895 /nfs/dbraw/zinc/25/68/95/412256895.db2.gz ZLLRQUUEXSGGBB-SECBINFHSA-N 1 2 248.290 -0.133 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNc1nccn2cnnc12 ZINC000624620254 412256894 /nfs/dbraw/zinc/25/68/94/412256894.db2.gz ZLLRQUUEXSGGBB-SECBINFHSA-N 1 2 248.290 -0.133 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNc1nccn2cnnc12 ZINC000624620255 412253801 /nfs/dbraw/zinc/25/38/01/412253801.db2.gz ZLLRQUUEXSGGBB-VIFPVBQESA-N 1 2 248.290 -0.133 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNc1nccn2cnnc12 ZINC000624620255 412253798 /nfs/dbraw/zinc/25/37/98/412253798.db2.gz ZLLRQUUEXSGGBB-VIFPVBQESA-N 1 2 248.290 -0.133 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNc1nccc(CO)n1 ZINC000624620441 344107657 /nfs/dbraw/zinc/10/76/57/344107657.db2.gz DBZAXMSWXNZHSJ-JTQLQIEISA-N 1 2 238.291 -0.289 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNc1nccc(CO)n1 ZINC000624620441 344107655 /nfs/dbraw/zinc/10/76/55/344107655.db2.gz DBZAXMSWXNZHSJ-JTQLQIEISA-N 1 2 238.291 -0.289 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNc1nccc(CO)n1 ZINC000624620442 344107536 /nfs/dbraw/zinc/10/75/36/344107536.db2.gz DBZAXMSWXNZHSJ-SNVBAGLBSA-N 1 2 238.291 -0.289 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNc1nccc(CO)n1 ZINC000624620442 344107533 /nfs/dbraw/zinc/10/75/33/344107533.db2.gz DBZAXMSWXNZHSJ-SNVBAGLBSA-N 1 2 238.291 -0.289 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNc1cncc2ncnn21 ZINC000624620594 344107485 /nfs/dbraw/zinc/10/74/85/344107485.db2.gz HLPLGXKJTHLWMP-SECBINFHSA-N 1 2 248.290 -0.133 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNc1cncc2ncnn21 ZINC000624620594 344107481 /nfs/dbraw/zinc/10/74/81/344107481.db2.gz HLPLGXKJTHLWMP-SECBINFHSA-N 1 2 248.290 -0.133 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNc1cncc2ncnn21 ZINC000624620595 344107709 /nfs/dbraw/zinc/10/77/09/344107709.db2.gz HLPLGXKJTHLWMP-VIFPVBQESA-N 1 2 248.290 -0.133 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNc1cncc2ncnn21 ZINC000624620595 344107707 /nfs/dbraw/zinc/10/77/07/344107707.db2.gz HLPLGXKJTHLWMP-VIFPVBQESA-N 1 2 248.290 -0.133 20 0 BBADLO Cn1cnc(NC[C@@H]2COCC[N@H+]2C)cc1=O ZINC000624621887 344109384 /nfs/dbraw/zinc/10/93/84/344109384.db2.gz KVIZNCLDCVSTDC-SECBINFHSA-N 1 2 238.291 -0.477 20 0 BBADLO Cn1cnc(NC[C@@H]2COCC[N@@H+]2C)cc1=O ZINC000624621887 344109380 /nfs/dbraw/zinc/10/93/80/344109380.db2.gz KVIZNCLDCVSTDC-SECBINFHSA-N 1 2 238.291 -0.477 20 0 BBADLO Cn1cnc(NC[C@H]2COCC[N@H+]2C)cc1=O ZINC000624621888 344109400 /nfs/dbraw/zinc/10/94/00/344109400.db2.gz KVIZNCLDCVSTDC-VIFPVBQESA-N 1 2 238.291 -0.477 20 0 BBADLO Cn1cnc(NC[C@H]2COCC[N@@H+]2C)cc1=O ZINC000624621888 344109398 /nfs/dbraw/zinc/10/93/98/344109398.db2.gz KVIZNCLDCVSTDC-VIFPVBQESA-N 1 2 238.291 -0.477 20 0 BBADLO Cc1nsc(NCC[N@H+]2CC[C@@H](O)C2)n1 ZINC000624677627 342817960 /nfs/dbraw/zinc/81/79/60/342817960.db2.gz JMLFKMRAKBMWDE-MRVPVSSYSA-N 1 2 228.321 -0.253 20 0 BBADLO Cc1nsc(NCC[N@@H+]2CC[C@@H](O)C2)n1 ZINC000624677627 342817959 /nfs/dbraw/zinc/81/79/59/342817959.db2.gz JMLFKMRAKBMWDE-MRVPVSSYSA-N 1 2 228.321 -0.253 20 0 BBADLO O[C@@H]1CC[N@@H+](CCNc2ncnc3[nH]cnc32)C1 ZINC000624680306 342818553 /nfs/dbraw/zinc/81/85/53/342818553.db2.gz XGIYNMUPRSIDSS-MRVPVSSYSA-N 1 2 248.290 -0.217 20 0 BBADLO O[C@@H]1CC[N@H+](CCNc2ncnc3[nH]cnc32)C1 ZINC000624680306 342818552 /nfs/dbraw/zinc/81/85/52/342818552.db2.gz XGIYNMUPRSIDSS-MRVPVSSYSA-N 1 2 248.290 -0.217 20 0 BBADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCOC[C@H]1O ZINC000624681444 342819034 /nfs/dbraw/zinc/81/90/34/342819034.db2.gz LEUNITMPQUSKCS-RKDXNWHRSA-N 1 2 249.274 -0.075 20 0 BBADLO Cc1nc(N2CCO[C@H](CC(N)=O)C2)cc[nH+]1 ZINC000624698739 342819866 /nfs/dbraw/zinc/81/98/66/342819866.db2.gz KYKIVXQUYANXIH-SECBINFHSA-N 1 2 236.275 -0.134 20 0 BBADLO Cc1nc(N2CCO[C@@H](CC(N)=O)C2)cc[nH+]1 ZINC000624698741 342819830 /nfs/dbraw/zinc/81/98/30/342819830.db2.gz KYKIVXQUYANXIH-VIFPVBQESA-N 1 2 236.275 -0.134 20 0 BBADLO Cc1cc(N2CCO[C@H](CC(N)=O)C2)nc[nH+]1 ZINC000624699874 342819894 /nfs/dbraw/zinc/81/98/94/342819894.db2.gz SRANQAQOAQKBDU-SECBINFHSA-N 1 2 236.275 -0.134 20 0 BBADLO Cc1cc(N2CCO[C@@H](CC(N)=O)C2)nc[nH+]1 ZINC000624699875 342819868 /nfs/dbraw/zinc/81/98/68/342819868.db2.gz SRANQAQOAQKBDU-VIFPVBQESA-N 1 2 236.275 -0.134 20 0 BBADLO CC[C@@H](CO)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000624728537 342823431 /nfs/dbraw/zinc/82/34/31/342823431.db2.gz GSWAAFJZSXIKHY-UWVGGRQHSA-N 1 2 245.323 -0.613 20 0 BBADLO CC[C@@H](CO)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624728537 342823430 /nfs/dbraw/zinc/82/34/30/342823430.db2.gz GSWAAFJZSXIKHY-UWVGGRQHSA-N 1 2 245.323 -0.613 20 0 BBADLO CC[C@@H](CO)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624728542 342823412 /nfs/dbraw/zinc/82/34/12/342823412.db2.gz GSWAAFJZSXIKHY-VHSXEESVSA-N 1 2 245.323 -0.613 20 0 BBADLO CC[C@@H](CO)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624728542 342823410 /nfs/dbraw/zinc/82/34/10/342823410.db2.gz GSWAAFJZSXIKHY-VHSXEESVSA-N 1 2 245.323 -0.613 20 0 BBADLO CC[C@H](CO)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624730137 342823379 /nfs/dbraw/zinc/82/33/79/342823379.db2.gz GSWAAFJZSXIKHY-NXEZZACHSA-N 1 2 245.323 -0.613 20 0 BBADLO CC[C@H](CO)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624730137 342823377 /nfs/dbraw/zinc/82/33/77/342823377.db2.gz GSWAAFJZSXIKHY-NXEZZACHSA-N 1 2 245.323 -0.613 20 0 BBADLO CC[C@H](CO)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000624730139 342823360 /nfs/dbraw/zinc/82/33/60/342823360.db2.gz GSWAAFJZSXIKHY-ZJUUUORDSA-N 1 2 245.323 -0.613 20 0 BBADLO CC[C@H](CO)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624730139 342823359 /nfs/dbraw/zinc/82/33/59/342823359.db2.gz GSWAAFJZSXIKHY-ZJUUUORDSA-N 1 2 245.323 -0.613 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CC(F)C1 ZINC000624730159 342823251 /nfs/dbraw/zinc/82/32/51/342823251.db2.gz IFMHXYABMHELHS-SECBINFHSA-N 1 2 231.271 -0.320 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC(F)C1 ZINC000624730159 342823250 /nfs/dbraw/zinc/82/32/50/342823250.db2.gz IFMHXYABMHELHS-SECBINFHSA-N 1 2 231.271 -0.320 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC(F)C1 ZINC000624730160 342823213 /nfs/dbraw/zinc/82/32/13/342823213.db2.gz IFMHXYABMHELHS-VIFPVBQESA-N 1 2 231.271 -0.320 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC(F)C1 ZINC000624730160 342823212 /nfs/dbraw/zinc/82/32/12/342823212.db2.gz IFMHXYABMHELHS-VIFPVBQESA-N 1 2 231.271 -0.320 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCC1COC1 ZINC000624732177 342823621 /nfs/dbraw/zinc/82/36/21/342823621.db2.gz PNZGHSQBSVMEBD-JTQLQIEISA-N 1 2 243.307 -0.737 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC1COC1 ZINC000624732177 342823620 /nfs/dbraw/zinc/82/36/20/342823620.db2.gz PNZGHSQBSVMEBD-JTQLQIEISA-N 1 2 243.307 -0.737 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)NCC1COC1 ZINC000624732187 342823684 /nfs/dbraw/zinc/82/36/84/342823684.db2.gz PNZGHSQBSVMEBD-SNVBAGLBSA-N 1 2 243.307 -0.737 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCC1COC1 ZINC000624732187 342823683 /nfs/dbraw/zinc/82/36/83/342823683.db2.gz PNZGHSQBSVMEBD-SNVBAGLBSA-N 1 2 243.307 -0.737 20 0 BBADLO COCCN(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000624735710 342824297 /nfs/dbraw/zinc/82/42/97/342824297.db2.gz IYCHSMJNRYCHJX-JTQLQIEISA-N 1 2 245.323 -0.395 20 0 BBADLO COCCN(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624735710 342824296 /nfs/dbraw/zinc/82/42/96/342824296.db2.gz IYCHSMJNRYCHJX-JTQLQIEISA-N 1 2 245.323 -0.395 20 0 BBADLO COCCN(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624735711 342824270 /nfs/dbraw/zinc/82/42/70/342824270.db2.gz IYCHSMJNRYCHJX-SNVBAGLBSA-N 1 2 245.323 -0.395 20 0 BBADLO COCCN(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624735711 342824269 /nfs/dbraw/zinc/82/42/69/342824269.db2.gz IYCHSMJNRYCHJX-SNVBAGLBSA-N 1 2 245.323 -0.395 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCC1 ZINC000624740170 342824622 /nfs/dbraw/zinc/82/46/22/342824622.db2.gz TVWSWSAADJQVDY-SECBINFHSA-N 1 2 213.281 -0.268 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCC1 ZINC000624740170 342824621 /nfs/dbraw/zinc/82/46/21/342824621.db2.gz TVWSWSAADJQVDY-SECBINFHSA-N 1 2 213.281 -0.268 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC1 ZINC000624740173 342824599 /nfs/dbraw/zinc/82/45/99/342824599.db2.gz TVWSWSAADJQVDY-VIFPVBQESA-N 1 2 213.281 -0.268 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC1 ZINC000624740173 342824598 /nfs/dbraw/zinc/82/45/98/342824598.db2.gz TVWSWSAADJQVDY-VIFPVBQESA-N 1 2 213.281 -0.268 20 0 BBADLO COCCCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000624742927 342823573 /nfs/dbraw/zinc/82/35/73/342823573.db2.gz KAINQGHHOZZFGJ-JTQLQIEISA-N 1 2 245.323 -0.347 20 0 BBADLO COCCCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624742927 342823572 /nfs/dbraw/zinc/82/35/72/342823572.db2.gz KAINQGHHOZZFGJ-JTQLQIEISA-N 1 2 245.323 -0.347 20 0 BBADLO COCCCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624742930 342823631 /nfs/dbraw/zinc/82/36/31/342823631.db2.gz KAINQGHHOZZFGJ-SNVBAGLBSA-N 1 2 245.323 -0.347 20 0 BBADLO COCCCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624742930 342823630 /nfs/dbraw/zinc/82/36/30/342823630.db2.gz KAINQGHHOZZFGJ-SNVBAGLBSA-N 1 2 245.323 -0.347 20 0 BBADLO Cc1nsc(NCC[N@H+]2CC[C@H](O)C2)n1 ZINC000624773875 342827492 /nfs/dbraw/zinc/82/74/92/342827492.db2.gz JMLFKMRAKBMWDE-QMMMGPOBSA-N 1 2 228.321 -0.253 20 0 BBADLO Cc1nsc(NCC[N@@H+]2CC[C@H](O)C2)n1 ZINC000624773875 342827490 /nfs/dbraw/zinc/82/74/90/342827490.db2.gz JMLFKMRAKBMWDE-QMMMGPOBSA-N 1 2 228.321 -0.253 20 0 BBADLO O[C@H]1CC[N@@H+](CCNc2ncnc3[nH]cnc32)C1 ZINC000624776079 342829175 /nfs/dbraw/zinc/82/91/75/342829175.db2.gz XGIYNMUPRSIDSS-QMMMGPOBSA-N 1 2 248.290 -0.217 20 0 BBADLO O[C@H]1CC[N@H+](CCNc2ncnc3[nH]cnc32)C1 ZINC000624776079 342829174 /nfs/dbraw/zinc/82/91/74/342829174.db2.gz XGIYNMUPRSIDSS-QMMMGPOBSA-N 1 2 248.290 -0.217 20 0 BBADLO COC1CC(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000624917092 342837918 /nfs/dbraw/zinc/83/79/18/342837918.db2.gz HABPKAVUKHFYIP-ILDUYXDCSA-N 1 2 242.319 -0.142 20 0 BBADLO COC1CC(C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000624917092 342837916 /nfs/dbraw/zinc/83/79/16/342837916.db2.gz HABPKAVUKHFYIP-ILDUYXDCSA-N 1 2 242.319 -0.142 20 0 BBADLO COC1CC(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000624917093 342837786 /nfs/dbraw/zinc/83/77/86/342837786.db2.gz HABPKAVUKHFYIP-VQXHTEKXSA-N 1 2 242.319 -0.142 20 0 BBADLO COC1CC(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000624917093 342837785 /nfs/dbraw/zinc/83/77/85/342837785.db2.gz HABPKAVUKHFYIP-VQXHTEKXSA-N 1 2 242.319 -0.142 20 0 BBADLO O=C1C[N@@H+](CCOC2CCOCC2)CCN1 ZINC000625057718 342846976 /nfs/dbraw/zinc/84/69/76/342846976.db2.gz YIAJDOSJAZTDTA-UHFFFAOYSA-N 1 2 228.292 -0.386 20 0 BBADLO O=C1C[N@H+](CCOC2CCOCC2)CCN1 ZINC000625057718 342846974 /nfs/dbraw/zinc/84/69/74/342846974.db2.gz YIAJDOSJAZTDTA-UHFFFAOYSA-N 1 2 228.292 -0.386 20 0 BBADLO CNC(=O)C[N@@H+](C)CC(=O)NCC(C)(C)C ZINC000625077370 342848730 /nfs/dbraw/zinc/84/87/30/342848730.db2.gz GDVPBJVYYDYJQE-UHFFFAOYSA-N 1 2 229.324 -0.174 20 0 BBADLO CNC(=O)C[N@H+](C)CC(=O)NCC(C)(C)C ZINC000625077370 342848729 /nfs/dbraw/zinc/84/87/29/342848729.db2.gz GDVPBJVYYDYJQE-UHFFFAOYSA-N 1 2 229.324 -0.174 20 0 BBADLO C[N@@H+](CC(N)=O)CC(=O)NCC(C)(C)C ZINC000625077468 342848744 /nfs/dbraw/zinc/84/87/44/342848744.db2.gz QQUGRUCXZNPCNS-UHFFFAOYSA-N 1 2 215.297 -0.434 20 0 BBADLO C[N@H+](CC(N)=O)CC(=O)NCC(C)(C)C ZINC000625077468 342848743 /nfs/dbraw/zinc/84/87/43/342848743.db2.gz QQUGRUCXZNPCNS-UHFFFAOYSA-N 1 2 215.297 -0.434 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1CCc1cn(C)nn1 ZINC000625130572 342883509 /nfs/dbraw/zinc/88/35/09/342883509.db2.gz HLKJYSGITOQLDI-MRVPVSSYSA-N 1 2 223.280 -0.822 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1CCc1cn(C)nn1 ZINC000625130572 342883507 /nfs/dbraw/zinc/88/35/07/342883507.db2.gz HLKJYSGITOQLDI-MRVPVSSYSA-N 1 2 223.280 -0.822 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1CCc1cn(C)nn1 ZINC000625130587 342883595 /nfs/dbraw/zinc/88/35/95/342883595.db2.gz HLKJYSGITOQLDI-QMMMGPOBSA-N 1 2 223.280 -0.822 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1CCc1cn(C)nn1 ZINC000625130587 342883594 /nfs/dbraw/zinc/88/35/94/342883594.db2.gz HLKJYSGITOQLDI-QMMMGPOBSA-N 1 2 223.280 -0.822 20 0 BBADLO CC(C)(C)CNC(=O)C[N@H+]1CCNC(=O)CC1 ZINC000625134853 342886010 /nfs/dbraw/zinc/88/60/10/342886010.db2.gz GPZNTMMVQMUGKA-UHFFFAOYSA-N 1 2 241.335 -0.029 20 0 BBADLO CC(C)(C)CNC(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000625134853 342886008 /nfs/dbraw/zinc/88/60/08/342886008.db2.gz GPZNTMMVQMUGKA-UHFFFAOYSA-N 1 2 241.335 -0.029 20 0 BBADLO O=C1CC[N@@H+](Cc2cnns2)CCN1 ZINC000625136522 342887513 /nfs/dbraw/zinc/88/75/13/342887513.db2.gz SHTHTHSQFRPZIX-UHFFFAOYSA-N 1 2 212.278 -0.140 20 0 BBADLO O=C1CC[N@H+](Cc2cnns2)CCN1 ZINC000625136522 342887511 /nfs/dbraw/zinc/88/75/11/342887511.db2.gz SHTHTHSQFRPZIX-UHFFFAOYSA-N 1 2 212.278 -0.140 20 0 BBADLO COc1cncc(C[N@H+]2CCNC(=O)CC2)n1 ZINC000625136569 342887432 /nfs/dbraw/zinc/88/74/32/342887432.db2.gz TZGLDRPSAQJMPY-UHFFFAOYSA-N 1 2 236.275 -0.193 20 0 BBADLO COc1cncc(C[N@@H+]2CCNC(=O)CC2)n1 ZINC000625136569 342887431 /nfs/dbraw/zinc/88/74/31/342887431.db2.gz TZGLDRPSAQJMPY-UHFFFAOYSA-N 1 2 236.275 -0.193 20 0 BBADLO CCNC(=O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC000625152102 342895480 /nfs/dbraw/zinc/89/54/80/342895480.db2.gz TUCHMNZLZCDSRG-UHFFFAOYSA-N 1 2 238.291 -0.132 20 0 BBADLO CC[C@H]1C(=O)NCC[N@@H+]1CCc1cn(C)nn1 ZINC000625181208 342903565 /nfs/dbraw/zinc/90/35/65/342903565.db2.gz QJIILIZVVAYWPS-JTQLQIEISA-N 1 2 237.307 -0.432 20 0 BBADLO CC[C@H]1C(=O)NCC[N@H+]1CCc1cn(C)nn1 ZINC000625181208 342903564 /nfs/dbraw/zinc/90/35/64/342903564.db2.gz QJIILIZVVAYWPS-JTQLQIEISA-N 1 2 237.307 -0.432 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCc1cn(C)nn1 ZINC000625181211 342903730 /nfs/dbraw/zinc/90/37/30/342903730.db2.gz QJIILIZVVAYWPS-SNVBAGLBSA-N 1 2 237.307 -0.432 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@H+]1CCc1cn(C)nn1 ZINC000625181211 342903729 /nfs/dbraw/zinc/90/37/29/342903729.db2.gz QJIILIZVVAYWPS-SNVBAGLBSA-N 1 2 237.307 -0.432 20 0 BBADLO CN1CC[N@@H+](CCOC2CCOCC2)CC1=O ZINC000625182283 384444984 /nfs/dbraw/zinc/44/49/84/384444984.db2.gz FCVJDTLIFBTGGV-UHFFFAOYSA-N 1 2 242.319 -0.044 20 0 BBADLO CN1CC[N@H+](CCOC2CCOCC2)CC1=O ZINC000625182283 384444977 /nfs/dbraw/zinc/44/49/77/384444977.db2.gz FCVJDTLIFBTGGV-UHFFFAOYSA-N 1 2 242.319 -0.044 20 0 BBADLO Cn1cc(CC[N@H+]2CCN(C)C(=O)C2)nn1 ZINC000625184168 342904381 /nfs/dbraw/zinc/90/43/81/342904381.db2.gz OSXNTFMHEHZCMS-UHFFFAOYSA-N 1 2 223.280 -0.868 20 0 BBADLO Cn1cc(CC[N@@H+]2CCN(C)C(=O)C2)nn1 ZINC000625184168 342904379 /nfs/dbraw/zinc/90/43/79/342904379.db2.gz OSXNTFMHEHZCMS-UHFFFAOYSA-N 1 2 223.280 -0.868 20 0 BBADLO COC[C@H]1C[N@@H+](CCc2cn(C)nn2)CCO1 ZINC000625188801 342905112 /nfs/dbraw/zinc/90/51/12/342905112.db2.gz SVIDFJDJAVNFLY-LLVKDONJSA-N 1 2 240.307 -0.295 20 0 BBADLO COC[C@H]1C[N@H+](CCc2cn(C)nn2)CCO1 ZINC000625188801 342905111 /nfs/dbraw/zinc/90/51/11/342905111.db2.gz SVIDFJDJAVNFLY-LLVKDONJSA-N 1 2 240.307 -0.295 20 0 BBADLO COC[C@@H]1C[N@@H+](CCc2cn(C)nn2)CCO1 ZINC000625188805 342905050 /nfs/dbraw/zinc/90/50/50/342905050.db2.gz SVIDFJDJAVNFLY-NSHDSACASA-N 1 2 240.307 -0.295 20 0 BBADLO COC[C@@H]1C[N@H+](CCc2cn(C)nn2)CCO1 ZINC000625188805 342905048 /nfs/dbraw/zinc/90/50/48/342905048.db2.gz SVIDFJDJAVNFLY-NSHDSACASA-N 1 2 240.307 -0.295 20 0 BBADLO COc1cncc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000625204656 342910759 /nfs/dbraw/zinc/91/07/59/342910759.db2.gz MFDSUQJNVIXKET-DTORHVGOSA-N 1 2 225.248 -0.977 20 0 BBADLO COc1cncc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000625204656 342910758 /nfs/dbraw/zinc/91/07/58/342910758.db2.gz MFDSUQJNVIXKET-DTORHVGOSA-N 1 2 225.248 -0.977 20 0 BBADLO CC(C)(C)CNC(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000625206613 342911951 /nfs/dbraw/zinc/91/19/51/342911951.db2.gz WWSJKQKRSDWMFU-AOOOYVTPSA-N 1 2 244.335 -0.424 20 0 BBADLO CC(C)(C)CNC(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000625206613 342911950 /nfs/dbraw/zinc/91/19/50/342911950.db2.gz WWSJKQKRSDWMFU-AOOOYVTPSA-N 1 2 244.335 -0.424 20 0 BBADLO COc1cncc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)n1 ZINC000625206757 342911993 /nfs/dbraw/zinc/91/19/93/342911993.db2.gz XVFNCGLGRAYFMA-AOOOYVTPSA-N 1 2 239.275 -0.587 20 0 BBADLO COc1cncc(C[N@H+]2C[C@H](O)C[C@H](O)C2)n1 ZINC000625206757 342911992 /nfs/dbraw/zinc/91/19/92/342911992.db2.gz XVFNCGLGRAYFMA-AOOOYVTPSA-N 1 2 239.275 -0.587 20 0 BBADLO CC(C)(C)CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000625207166 342912688 /nfs/dbraw/zinc/91/26/88/342912688.db2.gz VUZQIRNFPTUSPS-DTORHVGOSA-N 1 2 230.308 -0.814 20 0 BBADLO CC(C)(C)CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000625207166 342912686 /nfs/dbraw/zinc/91/26/86/342912686.db2.gz VUZQIRNFPTUSPS-DTORHVGOSA-N 1 2 230.308 -0.814 20 0 BBADLO Cn1cc(CC[N@H+]2CCN(C3CC3)C(=O)C2)nn1 ZINC000625212932 342915043 /nfs/dbraw/zinc/91/50/43/342915043.db2.gz OZCIYEUVTNMPKW-UHFFFAOYSA-N 1 2 249.318 -0.336 20 0 BBADLO Cn1cc(CC[N@@H+]2CCN(C3CC3)C(=O)C2)nn1 ZINC000625212932 342915042 /nfs/dbraw/zinc/91/50/42/342915042.db2.gz OZCIYEUVTNMPKW-UHFFFAOYSA-N 1 2 249.318 -0.336 20 0 BBADLO C[C@H]1CO[C@@H](CO)C[N@H+]1CCc1cn(C)nn1 ZINC000625227965 384484913 /nfs/dbraw/zinc/48/49/13/384484913.db2.gz ZLXOVMVRDOUGMI-GXSJLCMTSA-N 1 2 240.307 -0.561 20 0 BBADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CCc1cn(C)nn1 ZINC000625227965 384484909 /nfs/dbraw/zinc/48/49/09/384484909.db2.gz ZLXOVMVRDOUGMI-GXSJLCMTSA-N 1 2 240.307 -0.561 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@H+]1CCc1cn(C)nn1 ZINC000625227972 384485215 /nfs/dbraw/zinc/48/52/15/384485215.db2.gz ZLXOVMVRDOUGMI-KOLCDFICSA-N 1 2 240.307 -0.561 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CCc1cn(C)nn1 ZINC000625227972 384485206 /nfs/dbraw/zinc/48/52/06/384485206.db2.gz ZLXOVMVRDOUGMI-KOLCDFICSA-N 1 2 240.307 -0.561 20 0 BBADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CCc1cn(C)nn1 ZINC000625227973 384484428 /nfs/dbraw/zinc/48/44/28/384484428.db2.gz ZLXOVMVRDOUGMI-MWLCHTKSSA-N 1 2 240.307 -0.561 20 0 BBADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCc1cn(C)nn1 ZINC000625227973 384484423 /nfs/dbraw/zinc/48/44/23/384484423.db2.gz ZLXOVMVRDOUGMI-MWLCHTKSSA-N 1 2 240.307 -0.561 20 0 BBADLO C[C@H]1CO[C@H](CO)C[N@H+]1CCc1cn(C)nn1 ZINC000625227975 384485255 /nfs/dbraw/zinc/48/52/55/384485255.db2.gz ZLXOVMVRDOUGMI-ONGXEEELSA-N 1 2 240.307 -0.561 20 0 BBADLO C[C@H]1CO[C@H](CO)C[N@@H+]1CCc1cn(C)nn1 ZINC000625227975 384485248 /nfs/dbraw/zinc/48/52/48/384485248.db2.gz ZLXOVMVRDOUGMI-ONGXEEELSA-N 1 2 240.307 -0.561 20 0 BBADLO COc1cncc(C[N@@H+](C)[C@@H]2CCNC2=O)n1 ZINC000625267914 343157564 /nfs/dbraw/zinc/15/75/64/343157564.db2.gz AMFHVIAIQMVEGE-SECBINFHSA-N 1 2 236.275 -0.195 20 0 BBADLO COc1cncc(C[N@H+](C)[C@@H]2CCNC2=O)n1 ZINC000625267914 343157562 /nfs/dbraw/zinc/15/75/62/343157562.db2.gz AMFHVIAIQMVEGE-SECBINFHSA-N 1 2 236.275 -0.195 20 0 BBADLO COc1cncc(C[N@@H+](C)[C@H]2CCNC2=O)n1 ZINC000625267916 343157719 /nfs/dbraw/zinc/15/77/19/343157719.db2.gz AMFHVIAIQMVEGE-VIFPVBQESA-N 1 2 236.275 -0.195 20 0 BBADLO COc1cncc(C[N@H+](C)[C@H]2CCNC2=O)n1 ZINC000625267916 343157718 /nfs/dbraw/zinc/15/77/18/343157718.db2.gz AMFHVIAIQMVEGE-VIFPVBQESA-N 1 2 236.275 -0.195 20 0 BBADLO C[N@@H+](CC(=O)NCC(C)(C)C)[C@@H]1CCNC1=O ZINC000625272434 343190634 /nfs/dbraw/zinc/19/06/34/343190634.db2.gz XEOGLZYKOFQEPP-SECBINFHSA-N 1 2 241.335 -0.031 20 0 BBADLO C[N@H+](CC(=O)NCC(C)(C)C)[C@@H]1CCNC1=O ZINC000625272434 343190632 /nfs/dbraw/zinc/19/06/32/343190632.db2.gz XEOGLZYKOFQEPP-SECBINFHSA-N 1 2 241.335 -0.031 20 0 BBADLO C[N@@H+](CC(=O)NCC(C)(C)C)[C@H]1CCNC1=O ZINC000625272436 343190577 /nfs/dbraw/zinc/19/05/77/343190577.db2.gz XEOGLZYKOFQEPP-VIFPVBQESA-N 1 2 241.335 -0.031 20 0 BBADLO C[N@H+](CC(=O)NCC(C)(C)C)[C@H]1CCNC1=O ZINC000625272436 343190575 /nfs/dbraw/zinc/19/05/75/343190575.db2.gz XEOGLZYKOFQEPP-VIFPVBQESA-N 1 2 241.335 -0.031 20 0 BBADLO CCN(C)S(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000625296948 343225358 /nfs/dbraw/zinc/22/53/58/343225358.db2.gz GBFFMRWRBRHCMQ-UHFFFAOYSA-N 1 2 218.282 -0.304 20 0 BBADLO CCN(C)S(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000625296948 343225357 /nfs/dbraw/zinc/22/53/57/343225357.db2.gz GBFFMRWRBRHCMQ-UHFFFAOYSA-N 1 2 218.282 -0.304 20 0 BBADLO CN(C1CC1)S(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000625297746 343226004 /nfs/dbraw/zinc/22/60/04/343226004.db2.gz KQFCUFSYPCRJDV-UHFFFAOYSA-N 1 2 230.293 -0.162 20 0 BBADLO CN(C1CC1)S(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000625297746 343226001 /nfs/dbraw/zinc/22/60/01/343226001.db2.gz KQFCUFSYPCRJDV-UHFFFAOYSA-N 1 2 230.293 -0.162 20 0 BBADLO CO[C@H](C)CS(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000625299090 343226157 /nfs/dbraw/zinc/22/61/57/343226157.db2.gz DWYUIDXLGAWPPD-SSDOTTSWSA-N 1 2 233.293 -0.136 20 0 BBADLO CO[C@H](C)CS(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000625299090 343226155 /nfs/dbraw/zinc/22/61/55/343226155.db2.gz DWYUIDXLGAWPPD-SSDOTTSWSA-N 1 2 233.293 -0.136 20 0 BBADLO CO[C@@H](C)CS(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000625299091 343226534 /nfs/dbraw/zinc/22/65/34/343226534.db2.gz DWYUIDXLGAWPPD-ZETCQYMHSA-N 1 2 233.293 -0.136 20 0 BBADLO CO[C@@H](C)CS(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000625299091 343226533 /nfs/dbraw/zinc/22/65/33/343226533.db2.gz DWYUIDXLGAWPPD-ZETCQYMHSA-N 1 2 233.293 -0.136 20 0 BBADLO COCCN(C)S(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000625299095 343226561 /nfs/dbraw/zinc/22/65/61/343226561.db2.gz SSFIMTVIYZMFLZ-UHFFFAOYSA-N 1 2 248.308 -0.678 20 0 BBADLO COCCN(C)S(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000625299095 343226560 /nfs/dbraw/zinc/22/65/60/343226560.db2.gz SSFIMTVIYZMFLZ-UHFFFAOYSA-N 1 2 248.308 -0.678 20 0 BBADLO Cn1ccc(S(=O)(=O)NCc2c[nH]c[nH+]2)n1 ZINC000625299960 343226565 /nfs/dbraw/zinc/22/65/65/343226565.db2.gz JSJOUWPIZOFXED-UHFFFAOYSA-N 1 2 241.276 -0.378 20 0 BBADLO Cn1ccc(S(=O)(=O)NCc2c[nH+]c[nH]2)n1 ZINC000625299960 343226564 /nfs/dbraw/zinc/22/65/64/343226564.db2.gz JSJOUWPIZOFXED-UHFFFAOYSA-N 1 2 241.276 -0.378 20 0 BBADLO O=S(=O)(NCc1c[nH]c[nH+]1)C1COC1 ZINC000625300596 343227249 /nfs/dbraw/zinc/22/72/49/343227249.db2.gz NLOQXTSRWKMNDS-UHFFFAOYSA-N 1 2 217.250 -0.772 20 0 BBADLO O=S(=O)(NCc1c[nH+]c[nH]1)C1COC1 ZINC000625300596 343227248 /nfs/dbraw/zinc/22/72/48/343227248.db2.gz NLOQXTSRWKMNDS-UHFFFAOYSA-N 1 2 217.250 -0.772 20 0 BBADLO O=S(=O)(NCc1c[nH]c[nH+]1)N1CCC1 ZINC000625301198 343227629 /nfs/dbraw/zinc/22/76/29/343227629.db2.gz RUXTYGWDVDERFB-UHFFFAOYSA-N 1 2 216.266 -0.550 20 0 BBADLO O=S(=O)(NCc1c[nH+]c[nH]1)N1CCC1 ZINC000625301198 343227628 /nfs/dbraw/zinc/22/76/28/343227628.db2.gz RUXTYGWDVDERFB-UHFFFAOYSA-N 1 2 216.266 -0.550 20 0 BBADLO COc1cncc(C[NH2+]C2(C(N)=O)CC2)n1 ZINC000625316488 343231632 /nfs/dbraw/zinc/23/16/32/343231632.db2.gz ZTXICHUPRMCVRU-UHFFFAOYSA-N 1 2 222.248 -0.407 20 0 BBADLO CCN1CC[N@@H+](CCc2cn(C)nn2)CC1=O ZINC000625323866 343232711 /nfs/dbraw/zinc/23/27/11/343232711.db2.gz OBRVAZPAOFKELJ-UHFFFAOYSA-N 1 2 237.307 -0.478 20 0 BBADLO CCN1CC[N@H+](CCc2cn(C)nn2)CC1=O ZINC000625323866 343232708 /nfs/dbraw/zinc/23/27/08/343232708.db2.gz OBRVAZPAOFKELJ-UHFFFAOYSA-N 1 2 237.307 -0.478 20 0 BBADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCc1cn(C)nn1 ZINC000625345675 343241395 /nfs/dbraw/zinc/24/13/95/343241395.db2.gz AAFZEYQFNPUHCO-SECBINFHSA-N 1 2 237.307 -0.480 20 0 BBADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCc1cn(C)nn1 ZINC000625345675 343241393 /nfs/dbraw/zinc/24/13/93/343241393.db2.gz AAFZEYQFNPUHCO-SECBINFHSA-N 1 2 237.307 -0.480 20 0 BBADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCc1cn(C)nn1 ZINC000625345679 343241485 /nfs/dbraw/zinc/24/14/85/343241485.db2.gz AAFZEYQFNPUHCO-VIFPVBQESA-N 1 2 237.307 -0.480 20 0 BBADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCc1cn(C)nn1 ZINC000625345679 343241482 /nfs/dbraw/zinc/24/14/82/343241482.db2.gz AAFZEYQFNPUHCO-VIFPVBQESA-N 1 2 237.307 -0.480 20 0 BBADLO C[C@H]1C[N@@H+](CCc2cn(C)nn2)C[C@H](CO)O1 ZINC000625363053 343260077 /nfs/dbraw/zinc/26/00/77/343260077.db2.gz LLQGTKTWGBKJKT-GXSJLCMTSA-N 1 2 240.307 -0.561 20 0 BBADLO C[C@H]1C[N@H+](CCc2cn(C)nn2)C[C@H](CO)O1 ZINC000625363053 343260075 /nfs/dbraw/zinc/26/00/75/343260075.db2.gz LLQGTKTWGBKJKT-GXSJLCMTSA-N 1 2 240.307 -0.561 20 0 BBADLO C[C@@H]1C[N@@H+](CCc2cn(C)nn2)C[C@@H](CO)O1 ZINC000625363054 343259956 /nfs/dbraw/zinc/25/99/56/343259956.db2.gz LLQGTKTWGBKJKT-KOLCDFICSA-N 1 2 240.307 -0.561 20 0 BBADLO C[C@@H]1C[N@H+](CCc2cn(C)nn2)C[C@@H](CO)O1 ZINC000625363054 343259954 /nfs/dbraw/zinc/25/99/54/343259954.db2.gz LLQGTKTWGBKJKT-KOLCDFICSA-N 1 2 240.307 -0.561 20 0 BBADLO C[C@@H]1C[N@@H+](CCc2cn(C)nn2)C[C@H](CO)O1 ZINC000625363055 343259991 /nfs/dbraw/zinc/25/99/91/343259991.db2.gz LLQGTKTWGBKJKT-MWLCHTKSSA-N 1 2 240.307 -0.561 20 0 BBADLO C[C@@H]1C[N@H+](CCc2cn(C)nn2)C[C@H](CO)O1 ZINC000625363055 343259990 /nfs/dbraw/zinc/25/99/90/343259990.db2.gz LLQGTKTWGBKJKT-MWLCHTKSSA-N 1 2 240.307 -0.561 20 0 BBADLO C[C@H]1C[N@@H+](CCc2cn(C)nn2)C[C@@H](CO)O1 ZINC000625363056 343259902 /nfs/dbraw/zinc/25/99/02/343259902.db2.gz LLQGTKTWGBKJKT-ONGXEEELSA-N 1 2 240.307 -0.561 20 0 BBADLO C[C@H]1C[N@H+](CCc2cn(C)nn2)C[C@@H](CO)O1 ZINC000625363056 343259900 /nfs/dbraw/zinc/25/99/00/343259900.db2.gz LLQGTKTWGBKJKT-ONGXEEELSA-N 1 2 240.307 -0.561 20 0 BBADLO CC[N@@H+](CC(N)=O)CC(=O)NCC(C)(C)C ZINC000625364461 343259022 /nfs/dbraw/zinc/25/90/22/343259022.db2.gz HTKTYKUQLWZIPE-UHFFFAOYSA-N 1 2 229.324 -0.044 20 0 BBADLO CC[N@H+](CC(N)=O)CC(=O)NCC(C)(C)C ZINC000625364461 343259020 /nfs/dbraw/zinc/25/90/20/343259020.db2.gz HTKTYKUQLWZIPE-UHFFFAOYSA-N 1 2 229.324 -0.044 20 0 BBADLO CC[N@@H+](CC(N)=O)Cc1cncc(OC)n1 ZINC000625364968 343258757 /nfs/dbraw/zinc/25/87/57/343258757.db2.gz NVLDVTTVPDHEOO-UHFFFAOYSA-N 1 2 224.264 -0.208 20 0 BBADLO CC[N@H+](CC(N)=O)Cc1cncc(OC)n1 ZINC000625364968 343258754 /nfs/dbraw/zinc/25/87/54/343258754.db2.gz NVLDVTTVPDHEOO-UHFFFAOYSA-N 1 2 224.264 -0.208 20 0 BBADLO OC[C@@H]1COCC[N@H+]1CCOC1CCOCC1 ZINC000625373101 343359365 /nfs/dbraw/zinc/35/93/65/343359365.db2.gz BPTYSKKHOSAZEH-LLVKDONJSA-N 1 2 245.319 -0.125 20 0 BBADLO OC[C@@H]1COCC[N@@H+]1CCOC1CCOCC1 ZINC000625373101 343359364 /nfs/dbraw/zinc/35/93/64/343359364.db2.gz BPTYSKKHOSAZEH-LLVKDONJSA-N 1 2 245.319 -0.125 20 0 BBADLO C[C@@H]1C[N@@H+](CCc2cn(C)nn2)CC(=O)N1C ZINC000625398384 343405177 /nfs/dbraw/zinc/40/51/77/343405177.db2.gz KHBCCQZSHMYTDW-SECBINFHSA-N 1 2 237.307 -0.480 20 0 BBADLO C[C@@H]1C[N@H+](CCc2cn(C)nn2)CC(=O)N1C ZINC000625398384 343405176 /nfs/dbraw/zinc/40/51/76/343405176.db2.gz KHBCCQZSHMYTDW-SECBINFHSA-N 1 2 237.307 -0.480 20 0 BBADLO C[C@H]1C[N@@H+](CCc2cn(C)nn2)CC(=O)N1C ZINC000625398385 343405134 /nfs/dbraw/zinc/40/51/34/343405134.db2.gz KHBCCQZSHMYTDW-VIFPVBQESA-N 1 2 237.307 -0.480 20 0 BBADLO C[C@H]1C[N@H+](CCc2cn(C)nn2)CC(=O)N1C ZINC000625398385 343405132 /nfs/dbraw/zinc/40/51/32/343405132.db2.gz KHBCCQZSHMYTDW-VIFPVBQESA-N 1 2 237.307 -0.480 20 0 BBADLO OCCOCC[N@H+]1CCc2nc[nH]c2C1 ZINC000625434389 343734971 /nfs/dbraw/zinc/73/49/71/343734971.db2.gz QZZXITWPEJEHCA-UHFFFAOYSA-N 1 2 211.265 -0.223 20 0 BBADLO OCCOCC[N@@H+]1CCc2nc[nH]c2C1 ZINC000625434389 343734968 /nfs/dbraw/zinc/73/49/68/343734968.db2.gz QZZXITWPEJEHCA-UHFFFAOYSA-N 1 2 211.265 -0.223 20 0 BBADLO CNS(=O)(=O)CCN1CCc2[nH+]c[nH]c2C1 ZINC000625434462 343734836 /nfs/dbraw/zinc/73/48/36/343734836.db2.gz VUNRQYTUOGOYID-UHFFFAOYSA-N 1 2 244.320 -0.683 20 0 BBADLO Cn1nnc(CN2CCc3[nH+]c[nH]c3C2)n1 ZINC000625436876 343734279 /nfs/dbraw/zinc/73/42/79/343734279.db2.gz LZFFDWHYCYMENV-UHFFFAOYSA-N 1 2 219.252 -0.509 20 0 BBADLO CS(=O)(=O)NCCN1CCc2[nH+]c[nH]c2C1 ZINC000625437174 343736117 /nfs/dbraw/zinc/73/61/17/343736117.db2.gz MQEKIRJSIJSMPP-UHFFFAOYSA-N 1 2 244.320 -0.683 20 0 BBADLO CCN1OC[C@H](N2CCc3[nH+]c[nH]c3C2)C1=O ZINC000625438333 343740238 /nfs/dbraw/zinc/74/02/38/343740238.db2.gz YXWCUJADXCAKFR-JTQLQIEISA-N 1 2 236.275 -0.070 20 0 BBADLO CCN1OC[C@@H](N2CCc3[nH+]c[nH]c3C2)C1=O ZINC000625438336 343740260 /nfs/dbraw/zinc/74/02/60/343740260.db2.gz YXWCUJADXCAKFR-SNVBAGLBSA-N 1 2 236.275 -0.070 20 0 BBADLO CCNC(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000625439777 343740659 /nfs/dbraw/zinc/74/06/59/343740659.db2.gz HFGGLAOSKFEHAB-UHFFFAOYSA-N 1 2 208.265 -0.096 20 0 BBADLO O=C(CN1CCc2[nH+]c[nH]c2C1)N1CCNC1=O ZINC000625441054 343741296 /nfs/dbraw/zinc/74/12/96/343741296.db2.gz WMCWZIKHSIKPIU-UHFFFAOYSA-N 1 2 249.274 -0.680 20 0 BBADLO COc1cncc(C[N@H+]2CCOC[C@@H](O)C2)n1 ZINC000625451973 343828326 /nfs/dbraw/zinc/82/83/26/343828326.db2.gz HUALYBFTQFBNBD-JTQLQIEISA-N 1 2 239.275 -0.322 20 0 BBADLO COc1cncc(C[N@@H+]2CCOC[C@@H](O)C2)n1 ZINC000625451973 343828324 /nfs/dbraw/zinc/82/83/24/343828324.db2.gz HUALYBFTQFBNBD-JTQLQIEISA-N 1 2 239.275 -0.322 20 0 BBADLO COc1cncc(C[N@H+]2CCOC[C@H](O)C2)n1 ZINC000625451974 343827988 /nfs/dbraw/zinc/82/79/88/343827988.db2.gz HUALYBFTQFBNBD-SNVBAGLBSA-N 1 2 239.275 -0.322 20 0 BBADLO COc1cncc(C[N@@H+]2CCOC[C@H](O)C2)n1 ZINC000625451974 343827984 /nfs/dbraw/zinc/82/79/84/343827984.db2.gz HUALYBFTQFBNBD-SNVBAGLBSA-N 1 2 239.275 -0.322 20 0 BBADLO CC(C)(C)CNC(=O)C[N@H+]1CCOC[C@@H](O)C1 ZINC000625452349 343828059 /nfs/dbraw/zinc/82/80/59/343828059.db2.gz NPFRTWDAXRPXKH-JTQLQIEISA-N 1 2 244.335 -0.158 20 0 BBADLO CC(C)(C)CNC(=O)C[N@@H+]1CCOC[C@@H](O)C1 ZINC000625452349 343828056 /nfs/dbraw/zinc/82/80/56/343828056.db2.gz NPFRTWDAXRPXKH-JTQLQIEISA-N 1 2 244.335 -0.158 20 0 BBADLO CC(C)(C)CNC(=O)C[N@H+]1CCOC[C@H](O)C1 ZINC000625452350 343828279 /nfs/dbraw/zinc/82/82/79/343828279.db2.gz NPFRTWDAXRPXKH-SNVBAGLBSA-N 1 2 244.335 -0.158 20 0 BBADLO CC(C)(C)CNC(=O)C[N@@H+]1CCOC[C@H](O)C1 ZINC000625452350 343828277 /nfs/dbraw/zinc/82/82/77/343828277.db2.gz NPFRTWDAXRPXKH-SNVBAGLBSA-N 1 2 244.335 -0.158 20 0 BBADLO C[C@@H]1C[N@@H+](CCc2cn(C)nn2)CC(=O)N1 ZINC000625460105 343862821 /nfs/dbraw/zinc/86/28/21/343862821.db2.gz XPFFUNSPXTUDET-MRVPVSSYSA-N 1 2 223.280 -0.822 20 0 BBADLO C[C@@H]1C[N@H+](CCc2cn(C)nn2)CC(=O)N1 ZINC000625460105 343862820 /nfs/dbraw/zinc/86/28/20/343862820.db2.gz XPFFUNSPXTUDET-MRVPVSSYSA-N 1 2 223.280 -0.822 20 0 BBADLO C[C@H]1C[N@@H+](CCc2cn(C)nn2)CC(=O)N1 ZINC000625460107 343862994 /nfs/dbraw/zinc/86/29/94/343862994.db2.gz XPFFUNSPXTUDET-QMMMGPOBSA-N 1 2 223.280 -0.822 20 0 BBADLO C[C@H]1C[N@H+](CCc2cn(C)nn2)CC(=O)N1 ZINC000625460107 343862992 /nfs/dbraw/zinc/86/29/92/343862992.db2.gz XPFFUNSPXTUDET-QMMMGPOBSA-N 1 2 223.280 -0.822 20 0 BBADLO CO[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1O ZINC000625460215 343862857 /nfs/dbraw/zinc/86/28/57/343862857.db2.gz ALPMEAQLAZVOIP-NXEZZACHSA-N 1 2 244.335 -0.160 20 0 BBADLO CO[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1O ZINC000625460215 343862856 /nfs/dbraw/zinc/86/28/56/343862856.db2.gz ALPMEAQLAZVOIP-NXEZZACHSA-N 1 2 244.335 -0.160 20 0 BBADLO COc1cncc(C[N@H+]2CCC[C@@H]2C(N)=O)n1 ZINC000625460816 343863453 /nfs/dbraw/zinc/86/34/53/343863453.db2.gz WCUJPXYNMMINTN-SECBINFHSA-N 1 2 236.275 -0.065 20 0 BBADLO COc1cncc(C[N@@H+]2CCC[C@@H]2C(N)=O)n1 ZINC000625460816 343863452 /nfs/dbraw/zinc/86/34/52/343863452.db2.gz WCUJPXYNMMINTN-SECBINFHSA-N 1 2 236.275 -0.065 20 0 BBADLO COc1cncc(C[N@H+]2C[C@@H](O)[C@H](OC)C2)n1 ZINC000625461239 343864094 /nfs/dbraw/zinc/86/40/94/343864094.db2.gz NWAUPKWKWQSQNI-NXEZZACHSA-N 1 2 239.275 -0.323 20 0 BBADLO COc1cncc(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)n1 ZINC000625461239 343864093 /nfs/dbraw/zinc/86/40/93/343864093.db2.gz NWAUPKWKWQSQNI-NXEZZACHSA-N 1 2 239.275 -0.323 20 0 BBADLO c1nc(CN2CC[NH+](Cc3cn[nH]c3)CC2)n[nH]1 ZINC000625470514 343874533 /nfs/dbraw/zinc/87/45/33/343874533.db2.gz DKJZEVBVYSLCBS-UHFFFAOYSA-N 1 2 247.306 -0.154 20 0 BBADLO O=C1NCC[C@H]1[NH+]1CCN(Cc2cn[nH]c2)CC1 ZINC000625475465 343880065 /nfs/dbraw/zinc/88/00/65/343880065.db2.gz HAHFNERIQYEFDL-LLVKDONJSA-N 1 2 249.318 -0.584 20 0 BBADLO O=C1NCC[C@@H]1[NH+]1CCN(Cc2cn[nH]c2)CC1 ZINC000625475466 343880079 /nfs/dbraw/zinc/88/00/79/343880079.db2.gz HAHFNERIQYEFDL-NSHDSACASA-N 1 2 249.318 -0.584 20 0 BBADLO COc1cncc(C[NH+]2CC(C)(C(N)=O)C2)n1 ZINC000625506568 343898331 /nfs/dbraw/zinc/89/83/31/343898331.db2.gz LOTRXAGLJDXOMO-UHFFFAOYSA-N 1 2 236.275 -0.208 20 0 BBADLO CC(C)(C)CNC(=O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000625506734 343898285 /nfs/dbraw/zinc/89/82/85/343898285.db2.gz OOFJEYUPFLNMSM-UHFFFAOYSA-N 1 2 241.335 -0.044 20 0 BBADLO CCN(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000625515743 343914705 /nfs/dbraw/zinc/91/47/05/343914705.db2.gz HQPGPDZSDSUGNU-SECBINFHSA-N 1 2 215.297 -0.022 20 0 BBADLO CCN(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000625515743 343914703 /nfs/dbraw/zinc/91/47/03/343914703.db2.gz HQPGPDZSDSUGNU-SECBINFHSA-N 1 2 215.297 -0.022 20 0 BBADLO CCN(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000625515744 343914833 /nfs/dbraw/zinc/91/48/33/343914833.db2.gz HQPGPDZSDSUGNU-VIFPVBQESA-N 1 2 215.297 -0.022 20 0 BBADLO CCN(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000625515744 343914831 /nfs/dbraw/zinc/91/48/31/343914831.db2.gz HQPGPDZSDSUGNU-VIFPVBQESA-N 1 2 215.297 -0.022 20 0 BBADLO CN(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000625516325 343915446 /nfs/dbraw/zinc/91/54/46/343915446.db2.gz AUXOGMBMRIOHHY-MRVPVSSYSA-N 1 2 201.270 -0.412 20 0 BBADLO CN(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000625516325 343915445 /nfs/dbraw/zinc/91/54/45/343915445.db2.gz AUXOGMBMRIOHHY-MRVPVSSYSA-N 1 2 201.270 -0.412 20 0 BBADLO CN(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000625516326 343915643 /nfs/dbraw/zinc/91/56/43/343915643.db2.gz AUXOGMBMRIOHHY-QMMMGPOBSA-N 1 2 201.270 -0.412 20 0 BBADLO CN(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000625516326 343915641 /nfs/dbraw/zinc/91/56/41/343915641.db2.gz AUXOGMBMRIOHHY-QMMMGPOBSA-N 1 2 201.270 -0.412 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCOCC1 ZINC000625516329 343915353 /nfs/dbraw/zinc/91/53/53/343915353.db2.gz AVJQHDHCODHSAT-JTQLQIEISA-N 1 2 243.307 -0.641 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCOCC1 ZINC000625516329 343915352 /nfs/dbraw/zinc/91/53/52/343915352.db2.gz AVJQHDHCODHSAT-JTQLQIEISA-N 1 2 243.307 -0.641 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCOCC1 ZINC000625516330 343915480 /nfs/dbraw/zinc/91/54/80/343915480.db2.gz AVJQHDHCODHSAT-SNVBAGLBSA-N 1 2 243.307 -0.641 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCOCC1 ZINC000625516330 343915479 /nfs/dbraw/zinc/91/54/79/343915479.db2.gz AVJQHDHCODHSAT-SNVBAGLBSA-N 1 2 243.307 -0.641 20 0 BBADLO Cc1cnccc1C[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000625567629 410045984 /nfs/dbraw/zinc/04/59/84/410045984.db2.gz WORSBNSFMRRTAS-MNOVXSKESA-N 1 2 235.287 -0.189 20 0 BBADLO Cc1cnccc1C[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000625567629 410045978 /nfs/dbraw/zinc/04/59/78/410045978.db2.gz WORSBNSFMRRTAS-MNOVXSKESA-N 1 2 235.287 -0.189 20 0 BBADLO c1c[nH+]c(CN2CCN(c3nccnn3)CC2)[nH]1 ZINC000625637973 344023200 /nfs/dbraw/zinc/02/32/00/344023200.db2.gz FGSWRRNEJQJYNX-UHFFFAOYSA-N 1 2 245.290 -0.083 20 0 BBADLO c1n[nH]cc1C[NH+]1CCN(c2nccnn2)CC1 ZINC000625644180 644168214 /nfs/dbraw/zinc/16/82/14/644168214.db2.gz MMJSLNYMDOLZDL-UHFFFAOYSA-N 1 2 245.290 -0.083 20 0 BBADLO c1[nH]cc(CN2CCN(c3nccnn3)CC2)[nH+]1 ZINC000625645306 344024540 /nfs/dbraw/zinc/02/45/40/344024540.db2.gz WOTQCOKZWOUGHC-UHFFFAOYSA-N 1 2 245.290 -0.083 20 0 BBADLO c1[nH]c(CN2CCN(c3nccnn3)CC2)c[nH+]1 ZINC000625645306 344024536 /nfs/dbraw/zinc/02/45/36/344024536.db2.gz WOTQCOKZWOUGHC-UHFFFAOYSA-N 1 2 245.290 -0.083 20 0 BBADLO CCc1noc([C@@H](C)[NH+]2C[C@H](O)[C@@H](O)C2)n1 ZINC000625712271 384393244 /nfs/dbraw/zinc/39/32/44/384393244.db2.gz MCMRXYQSLKDJCH-CSMHCCOUSA-N 1 2 227.264 -0.270 20 0 BBADLO NC(=O)[C@@H](c1ccccc1)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000625712684 344051461 /nfs/dbraw/zinc/05/14/61/344051461.db2.gz NRDGTOYZPXKKQT-GARJFASQSA-N 1 2 236.271 -0.750 20 0 BBADLO C[C@@H](c1nnnn1C1CC1)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000625713308 344051060 /nfs/dbraw/zinc/05/10/60/344051060.db2.gz WWFTVXBRVYIELK-XVYDVKMFSA-N 1 2 239.279 -0.894 20 0 BBADLO Cc1cc(=O)[nH]c([C@@H](C)[NH+]2C[C@H](O)[C@@H](O)C2)n1 ZINC000625713324 344051422 /nfs/dbraw/zinc/05/14/22/344051422.db2.gz YUJIFPGCCVAKTQ-VGMNWLOBSA-N 1 2 239.275 -0.411 20 0 BBADLO Cc1nnc([C@@H](C)[NH+]2C[C@H](O)[C@@H](O)C2)s1 ZINC000625713330 344051526 /nfs/dbraw/zinc/05/15/26/344051526.db2.gz ZECAFCKLRKFETB-DTLFHODZSA-N 1 2 229.305 -0.055 20 0 BBADLO CCc1nnc([C@@H](C)[NH+]2C[C@H](O)[C@@H](O)C2)[nH]1 ZINC000625713346 344051225 /nfs/dbraw/zinc/05/12/25/344051225.db2.gz ADJQCLLXJISGIM-CSMHCCOUSA-N 1 2 226.280 -0.535 20 0 BBADLO CCc1nnc([C@H](C)[NH+]2C[C@H](O)[C@@H](O)C2)[nH]1 ZINC000625713347 344051335 /nfs/dbraw/zinc/05/13/35/344051335.db2.gz ADJQCLLXJISGIM-FXQIFTODSA-N 1 2 226.280 -0.535 20 0 BBADLO Cc1nnc([C@@H](C)[NH+]2C[C@H](O)[C@@H](O)C2)[nH]1 ZINC000625713352 344051057 /nfs/dbraw/zinc/05/10/57/344051057.db2.gz AHRQGHVVWRFGJZ-DTLFHODZSA-N 1 2 212.253 -0.788 20 0 BBADLO Cc1nnc([C@H](C)[NH+]2C[C@H](O)[C@@H](O)C2)[nH]1 ZINC000625713353 344051276 /nfs/dbraw/zinc/05/12/76/344051276.db2.gz AHRQGHVVWRFGJZ-GEVIPFJHSA-N 1 2 212.253 -0.788 20 0 BBADLO O[C@H]1C[NH+](Cc2cc3n(n2)CCCC3)C[C@@H]1O ZINC000625713402 344051566 /nfs/dbraw/zinc/05/15/66/344051566.db2.gz CDNPGIOOFYIKFU-RYUDHWBXSA-N 1 2 237.303 -0.243 20 0 BBADLO O[C@H]1C[NH+](Cc2cn(CC3CC3)nn2)C[C@@H]1O ZINC000625713559 344052145 /nfs/dbraw/zinc/05/21/45/344052145.db2.gz JRBMVUSUEXETCT-QWRGUYRKSA-N 1 2 238.291 -0.775 20 0 BBADLO COc1nccc(C[NH+]2C[C@H](O)[C@@H](O)C2)n1 ZINC000625713578 344051883 /nfs/dbraw/zinc/05/18/83/344051883.db2.gz LBMCABYTKYRXGG-IUCAKERBSA-N 1 2 225.248 -0.977 20 0 BBADLO COc1cncc(C[NH+]2C[C@H](O)[C@@H](O)C2)n1 ZINC000625713598 344052094 /nfs/dbraw/zinc/05/20/94/344052094.db2.gz MFDSUQJNVIXKET-IUCAKERBSA-N 1 2 225.248 -0.977 20 0 BBADLO O[C@H]1C[NH+](Cc2cc3n(n2)CCC3)C[C@@H]1O ZINC000625713622 344052166 /nfs/dbraw/zinc/05/21/66/344052166.db2.gz NLNUOEMNTLJOKI-QWRGUYRKSA-N 1 2 223.276 -0.633 20 0 BBADLO O[C@H]1C[NH+](Cc2ccncc2F)C[C@@H]1O ZINC000625713648 344051855 /nfs/dbraw/zinc/05/18/55/344051855.db2.gz OOPBJBVNIUCLBZ-UWVGGRQHSA-N 1 2 212.224 -0.242 20 0 BBADLO Cc1nc(C[NH+]2C[C@H](O)[C@@H](O)C2)c(C)o1 ZINC000625713666 344051784 /nfs/dbraw/zinc/05/17/84/344051784.db2.gz PDWOMDMDLGJFAM-UWVGGRQHSA-N 1 2 212.249 -0.171 20 0 BBADLO COc1cc(C[NH+]2C[C@H](O)[C@@H](O)C2)on1 ZINC000625713691 344052032 /nfs/dbraw/zinc/05/20/32/344052032.db2.gz RJRYQFBBKRRXDV-YUMQZZPRSA-N 1 2 214.221 -0.779 20 0 BBADLO CC(C)(C)CNC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000625713783 344052134 /nfs/dbraw/zinc/05/21/34/344052134.db2.gz VUZQIRNFPTUSPS-IUCAKERBSA-N 1 2 230.308 -0.814 20 0 BBADLO CCc1cnc(C[NH+]2C[C@H](O)[C@@H](O)C2)o1 ZINC000625721904 344056168 /nfs/dbraw/zinc/05/61/68/344056168.db2.gz BQBXNSJNQZNOIE-IUCAKERBSA-N 1 2 212.249 -0.226 20 0 BBADLO COCCOCC[N@@H+](CCO)Cc1cc[nH]n1 ZINC000625755649 491125816 /nfs/dbraw/zinc/12/58/16/491125816.db2.gz ZFXNMDKZMUJJRZ-UHFFFAOYSA-N 1 2 243.307 -0.133 20 0 BBADLO COCCOCC[N@H+](CCO)Cc1cc[nH]n1 ZINC000625755649 491125815 /nfs/dbraw/zinc/12/58/15/491125815.db2.gz ZFXNMDKZMUJJRZ-UHFFFAOYSA-N 1 2 243.307 -0.133 20 0 BBADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)CC1(C)COC1 ZINC000625792791 344076988 /nfs/dbraw/zinc/07/69/88/344076988.db2.gz XZYWGFXNOHWBPO-UHFFFAOYSA-N 1 2 212.253 -0.021 20 0 BBADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)CC1(C)COC1 ZINC000625792791 344076986 /nfs/dbraw/zinc/07/69/86/344076986.db2.gz XZYWGFXNOHWBPO-UHFFFAOYSA-N 1 2 212.253 -0.021 20 0 BBADLO Nc1nc(N)nc(C[NH+](C2CC2)C2CC2)n1 ZINC000625838033 344090672 /nfs/dbraw/zinc/09/06/72/344090672.db2.gz UGBOSPXCLLYRKR-UHFFFAOYSA-N 1 2 220.280 -0.176 20 0 BBADLO CNS(=O)(=O)CC[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000625853854 344125897 /nfs/dbraw/zinc/12/58/97/344125897.db2.gz JJAKETLHHXNTQA-VHSXEESVSA-N 1 2 248.348 -0.211 20 0 BBADLO CNS(=O)(=O)CC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000625853854 344125895 /nfs/dbraw/zinc/12/58/95/344125895.db2.gz JJAKETLHHXNTQA-VHSXEESVSA-N 1 2 248.348 -0.211 20 0 BBADLO COc1nccc(C[N@H+]2CCC[C@H]2C(N)=O)n1 ZINC000625869448 344242543 /nfs/dbraw/zinc/24/25/43/344242543.db2.gz PKXJGKAUVWGVOU-VIFPVBQESA-N 1 2 236.275 -0.065 20 0 BBADLO COc1nccc(C[N@@H+]2CCC[C@H]2C(N)=O)n1 ZINC000625869448 344242542 /nfs/dbraw/zinc/24/25/42/344242542.db2.gz PKXJGKAUVWGVOU-VIFPVBQESA-N 1 2 236.275 -0.065 20 0 BBADLO COc1cncc(C[N@H+]2CCC[C@H]2C(N)=O)n1 ZINC000625869576 344242577 /nfs/dbraw/zinc/24/25/77/344242577.db2.gz WCUJPXYNMMINTN-VIFPVBQESA-N 1 2 236.275 -0.065 20 0 BBADLO COc1cncc(C[N@@H+]2CCC[C@H]2C(N)=O)n1 ZINC000625869576 344242576 /nfs/dbraw/zinc/24/25/76/344242576.db2.gz WCUJPXYNMMINTN-VIFPVBQESA-N 1 2 236.275 -0.065 20 0 BBADLO CCn1nncc1C[N@H+]1CCC[C@H]1C(N)=O ZINC000625869582 344242315 /nfs/dbraw/zinc/24/23/15/344242315.db2.gz WKHNEZNFGSLEAE-VIFPVBQESA-N 1 2 223.280 -0.252 20 0 BBADLO CCn1nncc1C[N@@H+]1CCC[C@H]1C(N)=O ZINC000625869582 344242313 /nfs/dbraw/zinc/24/23/13/344242313.db2.gz WKHNEZNFGSLEAE-VIFPVBQESA-N 1 2 223.280 -0.252 20 0 BBADLO NC(=O)[C@@H]1CCC[N@H+]1CCc1c[nH]nn1 ZINC000625869921 344243215 /nfs/dbraw/zinc/24/32/15/344243215.db2.gz SGFPSRIFNBMXSP-QMMMGPOBSA-N 1 2 209.253 -0.703 20 0 BBADLO Cn1c[nH+]c(CN2CCC[C@H]2C(N)=O)c1 ZINC000625869976 344243471 /nfs/dbraw/zinc/24/34/71/344243471.db2.gz WLDVNWQMVRSSBX-VIFPVBQESA-N 1 2 208.265 -0.130 20 0 BBADLO Cn1cnc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000625869976 344243470 /nfs/dbraw/zinc/24/34/70/344243470.db2.gz WLDVNWQMVRSSBX-VIFPVBQESA-N 1 2 208.265 -0.130 20 0 BBADLO Cn1cnc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000625869976 344243468 /nfs/dbraw/zinc/24/34/68/344243468.db2.gz WLDVNWQMVRSSBX-VIFPVBQESA-N 1 2 208.265 -0.130 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1CCO[C@H](CCF)C1 ZINC000626000489 344661730 /nfs/dbraw/zinc/66/17/30/344661730.db2.gz QYVHFGBLVZIWIP-HTQZYQBOSA-N 1 2 204.245 -0.079 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CCO[C@H](CCF)C1 ZINC000626000489 344661729 /nfs/dbraw/zinc/66/17/29/344661729.db2.gz QYVHFGBLVZIWIP-HTQZYQBOSA-N 1 2 204.245 -0.079 20 0 BBADLO C[C@@H](C(N)=O)[N@H+]1CCO[C@H](CCF)C1 ZINC000626000490 344661725 /nfs/dbraw/zinc/66/17/25/344661725.db2.gz QYVHFGBLVZIWIP-JGVFFNPUSA-N 1 2 204.245 -0.079 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+]1CCO[C@H](CCF)C1 ZINC000626000490 344661723 /nfs/dbraw/zinc/66/17/23/344661723.db2.gz QYVHFGBLVZIWIP-JGVFFNPUSA-N 1 2 204.245 -0.079 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1CCO[C@@H](CCF)C1 ZINC000626000491 344661778 /nfs/dbraw/zinc/66/17/78/344661778.db2.gz QYVHFGBLVZIWIP-SFYZADRCSA-N 1 2 204.245 -0.079 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626000491 344661776 /nfs/dbraw/zinc/66/17/76/344661776.db2.gz QYVHFGBLVZIWIP-SFYZADRCSA-N 1 2 204.245 -0.079 20 0 BBADLO C[C@@H](C(N)=O)[N@H+]1CCO[C@@H](CCF)C1 ZINC000626000492 344661550 /nfs/dbraw/zinc/66/15/50/344661550.db2.gz QYVHFGBLVZIWIP-YUMQZZPRSA-N 1 2 204.245 -0.079 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626000492 344661549 /nfs/dbraw/zinc/66/15/49/344661549.db2.gz QYVHFGBLVZIWIP-YUMQZZPRSA-N 1 2 204.245 -0.079 20 0 BBADLO CNC(=O)C[N@H+]1CCO[C@H](CCF)C1 ZINC000626000561 344661638 /nfs/dbraw/zinc/66/16/38/344661638.db2.gz RYQBISQOMRMIIO-MRVPVSSYSA-N 1 2 204.245 -0.207 20 0 BBADLO CNC(=O)C[N@@H+]1CCO[C@H](CCF)C1 ZINC000626000561 344661636 /nfs/dbraw/zinc/66/16/36/344661636.db2.gz RYQBISQOMRMIIO-MRVPVSSYSA-N 1 2 204.245 -0.207 20 0 BBADLO CNC(=O)C[N@H+]1CCO[C@@H](CCF)C1 ZINC000626000562 344661538 /nfs/dbraw/zinc/66/15/38/344661538.db2.gz RYQBISQOMRMIIO-QMMMGPOBSA-N 1 2 204.245 -0.207 20 0 BBADLO CNC(=O)C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626000562 344661537 /nfs/dbraw/zinc/66/15/37/344661537.db2.gz RYQBISQOMRMIIO-QMMMGPOBSA-N 1 2 204.245 -0.207 20 0 BBADLO O=C1NCC[C@@H]1[N@@H+]1CCO[C@H](CCF)C1 ZINC000626003309 344663799 /nfs/dbraw/zinc/66/37/99/344663799.db2.gz GAIQDKHGZOZTHT-BDAKNGLRSA-N 1 2 216.256 -0.065 20 0 BBADLO O=C1NCC[C@@H]1[N@H+]1CCO[C@H](CCF)C1 ZINC000626003309 344663797 /nfs/dbraw/zinc/66/37/97/344663797.db2.gz GAIQDKHGZOZTHT-BDAKNGLRSA-N 1 2 216.256 -0.065 20 0 BBADLO O=C1NCC[C@H]1[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626003310 344663905 /nfs/dbraw/zinc/66/39/05/344663905.db2.gz GAIQDKHGZOZTHT-DTWKUNHWSA-N 1 2 216.256 -0.065 20 0 BBADLO O=C1NCC[C@H]1[N@H+]1CCO[C@@H](CCF)C1 ZINC000626003310 344663903 /nfs/dbraw/zinc/66/39/03/344663903.db2.gz GAIQDKHGZOZTHT-DTWKUNHWSA-N 1 2 216.256 -0.065 20 0 BBADLO O=C1NCC[C@@H]1[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626003311 344663994 /nfs/dbraw/zinc/66/39/94/344663994.db2.gz GAIQDKHGZOZTHT-IUCAKERBSA-N 1 2 216.256 -0.065 20 0 BBADLO O=C1NCC[C@@H]1[N@H+]1CCO[C@@H](CCF)C1 ZINC000626003311 344663993 /nfs/dbraw/zinc/66/39/93/344663993.db2.gz GAIQDKHGZOZTHT-IUCAKERBSA-N 1 2 216.256 -0.065 20 0 BBADLO O=C1NCC[C@H]1[N@@H+]1CCO[C@H](CCF)C1 ZINC000626003312 344663532 /nfs/dbraw/zinc/66/35/32/344663532.db2.gz GAIQDKHGZOZTHT-RKDXNWHRSA-N 1 2 216.256 -0.065 20 0 BBADLO O=C1NCC[C@H]1[N@H+]1CCO[C@H](CCF)C1 ZINC000626003312 344663529 /nfs/dbraw/zinc/66/35/29/344663529.db2.gz GAIQDKHGZOZTHT-RKDXNWHRSA-N 1 2 216.256 -0.065 20 0 BBADLO Cn1nnnc1C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626013231 344668827 /nfs/dbraw/zinc/66/88/27/344668827.db2.gz XZGYRTIYECTOLI-GXSJLCMTSA-N 1 2 237.307 -0.196 20 0 BBADLO Cn1nnnc1C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626013231 344668825 /nfs/dbraw/zinc/66/88/25/344668825.db2.gz XZGYRTIYECTOLI-GXSJLCMTSA-N 1 2 237.307 -0.196 20 0 BBADLO Cn1nnc(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)n1 ZINC000626015090 344671420 /nfs/dbraw/zinc/67/14/20/344671420.db2.gz IGXZRSJKGSOMKY-GXSJLCMTSA-N 1 2 237.307 -0.196 20 0 BBADLO Cn1nnc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)n1 ZINC000626015090 344671419 /nfs/dbraw/zinc/67/14/19/344671419.db2.gz IGXZRSJKGSOMKY-GXSJLCMTSA-N 1 2 237.307 -0.196 20 0 BBADLO Cc1nnc(C[N@@H+](C)[C@H]2C[C@@H](C(N)=O)C2)n1C ZINC000626037612 344689162 /nfs/dbraw/zinc/68/91/62/344689162.db2.gz WLFYUDVGGYIJSM-DTORHVGOSA-N 1 2 237.307 -0.181 20 0 BBADLO Cc1nnc(C[N@H+](C)[C@H]2C[C@@H](C(N)=O)C2)n1C ZINC000626037612 344689161 /nfs/dbraw/zinc/68/91/61/344689161.db2.gz WLFYUDVGGYIJSM-DTORHVGOSA-N 1 2 237.307 -0.181 20 0 BBADLO Cn1ncnc1C[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038033 344689675 /nfs/dbraw/zinc/68/96/75/344689675.db2.gz OZCHUTPNHSFJRZ-OCAPTIKFSA-N 1 2 223.280 -0.489 20 0 BBADLO Cn1ncnc1C[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038033 344689673 /nfs/dbraw/zinc/68/96/73/344689673.db2.gz OZCHUTPNHSFJRZ-OCAPTIKFSA-N 1 2 223.280 -0.489 20 0 BBADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039060 344691674 /nfs/dbraw/zinc/69/16/74/344691674.db2.gz NNNMJVPOCIXJOT-OLQVQODUSA-N 1 2 225.252 -0.794 20 0 BBADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039060 344691673 /nfs/dbraw/zinc/69/16/73/344691673.db2.gz NNNMJVPOCIXJOT-OLQVQODUSA-N 1 2 225.252 -0.794 20 0 BBADLO CCn1ncnc1C[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039205 344691576 /nfs/dbraw/zinc/69/15/76/344691576.db2.gz UIMPKVHEVLUQMN-DTORHVGOSA-N 1 2 237.307 -0.006 20 0 BBADLO CCn1ncnc1C[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039205 344691574 /nfs/dbraw/zinc/69/15/74/344691574.db2.gz UIMPKVHEVLUQMN-DTORHVGOSA-N 1 2 237.307 -0.006 20 0 BBADLO Cc1nnc(C[N@H+](C)[C@H]2C[C@@H](C(N)=O)C2)[nH]1 ZINC000626039395 344690426 /nfs/dbraw/zinc/69/04/26/344690426.db2.gz BKIRHOSOFJUWBF-OCAPTIKFSA-N 1 2 223.280 -0.191 20 0 BBADLO Cc1nnc(C[N@@H+](C)[C@H]2C[C@@H](C(N)=O)C2)[nH]1 ZINC000626039395 344690424 /nfs/dbraw/zinc/69/04/24/344690424.db2.gz BKIRHOSOFJUWBF-OCAPTIKFSA-N 1 2 223.280 -0.191 20 0 BBADLO O=c1[nH]nc(CN2CC[NH+](CCCF)CC2)[nH]1 ZINC000626071183 344715458 /nfs/dbraw/zinc/71/54/58/344715458.db2.gz SEJGRHHFXMXQPQ-UHFFFAOYSA-N 1 2 243.286 -0.013 20 0 BBADLO Cn1nccc1C[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626077059 344723574 /nfs/dbraw/zinc/72/35/74/344723574.db2.gz CCFKJCXWVXHUJC-JTQLQIEISA-N 1 2 238.291 -0.504 20 0 BBADLO Cn1nccc1C[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626077059 344723571 /nfs/dbraw/zinc/72/35/71/344723571.db2.gz CCFKJCXWVXHUJC-JTQLQIEISA-N 1 2 238.291 -0.504 20 0 BBADLO Cn1nccc1C[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626077060 344723755 /nfs/dbraw/zinc/72/37/55/344723755.db2.gz CCFKJCXWVXHUJC-SNVBAGLBSA-N 1 2 238.291 -0.504 20 0 BBADLO Cn1nccc1C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626077060 344723753 /nfs/dbraw/zinc/72/37/53/344723753.db2.gz CCFKJCXWVXHUJC-SNVBAGLBSA-N 1 2 238.291 -0.504 20 0 BBADLO NC(=O)C[C@@H]1C[N@@H+](Cc2cn[nH]c2)CCO1 ZINC000626078071 344725756 /nfs/dbraw/zinc/72/57/56/344725756.db2.gz WWLBVNWGVLSDOW-SECBINFHSA-N 1 2 224.264 -0.514 20 0 BBADLO NC(=O)C[C@@H]1C[N@H+](Cc2cn[nH]c2)CCO1 ZINC000626078071 344725754 /nfs/dbraw/zinc/72/57/54/344725754.db2.gz WWLBVNWGVLSDOW-SECBINFHSA-N 1 2 224.264 -0.514 20 0 BBADLO NC(=O)C[C@H]1C[N@@H+](Cc2cn[nH]c2)CCO1 ZINC000626078072 344725678 /nfs/dbraw/zinc/72/56/78/344725678.db2.gz WWLBVNWGVLSDOW-VIFPVBQESA-N 1 2 224.264 -0.514 20 0 BBADLO NC(=O)C[C@H]1C[N@H+](Cc2cn[nH]c2)CCO1 ZINC000626078072 344725677 /nfs/dbraw/zinc/72/56/77/344725677.db2.gz WWLBVNWGVLSDOW-VIFPVBQESA-N 1 2 224.264 -0.514 20 0 BBADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC(O)C1)CC2 ZINC000626078292 344724539 /nfs/dbraw/zinc/72/45/39/344724539.db2.gz CIMPCSRMYSFAKH-SECBINFHSA-N 1 2 235.287 -0.043 20 0 BBADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC(O)C1)CC2 ZINC000626078293 344724428 /nfs/dbraw/zinc/72/44/28/344724428.db2.gz CIMPCSRMYSFAKH-VIFPVBQESA-N 1 2 235.287 -0.043 20 0 BBADLO Cn1cc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)cn1 ZINC000626079925 344726316 /nfs/dbraw/zinc/72/63/16/344726316.db2.gz UFFPUKRLQMWTFH-JTQLQIEISA-N 1 2 238.291 -0.504 20 0 BBADLO Cn1cc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)cn1 ZINC000626079925 344726314 /nfs/dbraw/zinc/72/63/14/344726314.db2.gz UFFPUKRLQMWTFH-JTQLQIEISA-N 1 2 238.291 -0.504 20 0 BBADLO Cn1cc(C[N@H+]2CCO[C@H](CC(N)=O)C2)cn1 ZINC000626079926 344726338 /nfs/dbraw/zinc/72/63/38/344726338.db2.gz UFFPUKRLQMWTFH-SNVBAGLBSA-N 1 2 238.291 -0.504 20 0 BBADLO Cn1cc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)cn1 ZINC000626079926 344726336 /nfs/dbraw/zinc/72/63/36/344726336.db2.gz UFFPUKRLQMWTFH-SNVBAGLBSA-N 1 2 238.291 -0.504 20 0 BBADLO CCN(C)C(=O)C[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626080851 344727221 /nfs/dbraw/zinc/72/72/21/344727221.db2.gz QZHFPKODFMRBIE-SECBINFHSA-N 1 2 243.307 -0.959 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626080851 344727220 /nfs/dbraw/zinc/72/72/20/344727220.db2.gz QZHFPKODFMRBIE-SECBINFHSA-N 1 2 243.307 -0.959 20 0 BBADLO CCN(C)C(=O)C[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626080852 344727237 /nfs/dbraw/zinc/72/72/37/344727237.db2.gz QZHFPKODFMRBIE-VIFPVBQESA-N 1 2 243.307 -0.959 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626080852 344727236 /nfs/dbraw/zinc/72/72/36/344727236.db2.gz QZHFPKODFMRBIE-VIFPVBQESA-N 1 2 243.307 -0.959 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626084126 344728071 /nfs/dbraw/zinc/72/80/71/344728071.db2.gz QBZRIBDIRUGCDL-BDAKNGLRSA-N 1 2 243.307 -0.961 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626084126 344728069 /nfs/dbraw/zinc/72/80/69/344728069.db2.gz QBZRIBDIRUGCDL-BDAKNGLRSA-N 1 2 243.307 -0.961 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626084127 344728042 /nfs/dbraw/zinc/72/80/42/344728042.db2.gz QBZRIBDIRUGCDL-DTWKUNHWSA-N 1 2 243.307 -0.961 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626084127 344728039 /nfs/dbraw/zinc/72/80/39/344728039.db2.gz QBZRIBDIRUGCDL-DTWKUNHWSA-N 1 2 243.307 -0.961 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626084128 344727914 /nfs/dbraw/zinc/72/79/14/344727914.db2.gz QBZRIBDIRUGCDL-IUCAKERBSA-N 1 2 243.307 -0.961 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626084128 344727913 /nfs/dbraw/zinc/72/79/13/344727913.db2.gz QBZRIBDIRUGCDL-IUCAKERBSA-N 1 2 243.307 -0.961 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626084129 344728130 /nfs/dbraw/zinc/72/81/30/344728130.db2.gz QBZRIBDIRUGCDL-RKDXNWHRSA-N 1 2 243.307 -0.961 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626084129 344728128 /nfs/dbraw/zinc/72/81/28/344728128.db2.gz QBZRIBDIRUGCDL-RKDXNWHRSA-N 1 2 243.307 -0.961 20 0 BBADLO CCC[N@H+]1CCOC[C@H]1CNS(C)(=O)=O ZINC000626094577 344734498 /nfs/dbraw/zinc/73/44/98/344734498.db2.gz DBASJMFXHQILEJ-SECBINFHSA-N 1 2 236.337 -0.354 20 0 BBADLO CCC[N@@H+]1CCOC[C@H]1CNS(C)(=O)=O ZINC000626094577 344734496 /nfs/dbraw/zinc/73/44/96/344734496.db2.gz DBASJMFXHQILEJ-SECBINFHSA-N 1 2 236.337 -0.354 20 0 BBADLO CCC[N@H+]1CCOC[C@@H]1CNS(C)(=O)=O ZINC000626094578 344734391 /nfs/dbraw/zinc/73/43/91/344734391.db2.gz DBASJMFXHQILEJ-VIFPVBQESA-N 1 2 236.337 -0.354 20 0 BBADLO CCC[N@@H+]1CCOC[C@@H]1CNS(C)(=O)=O ZINC000626094578 344734389 /nfs/dbraw/zinc/73/43/89/344734389.db2.gz DBASJMFXHQILEJ-VIFPVBQESA-N 1 2 236.337 -0.354 20 0 BBADLO CS(=O)(=O)NC[C@H]1COCC[N@H+]1CC1CC1 ZINC000626095488 344735691 /nfs/dbraw/zinc/73/56/91/344735691.db2.gz AJFDBPVREXYKOG-JTQLQIEISA-N 1 2 248.348 -0.354 20 0 BBADLO CS(=O)(=O)NC[C@H]1COCC[N@@H+]1CC1CC1 ZINC000626095488 344735689 /nfs/dbraw/zinc/73/56/89/344735689.db2.gz AJFDBPVREXYKOG-JTQLQIEISA-N 1 2 248.348 -0.354 20 0 BBADLO CS(=O)(=O)NC[C@@H]1COCC[N@H+]1CC1CC1 ZINC000626095489 344735874 /nfs/dbraw/zinc/73/58/74/344735874.db2.gz AJFDBPVREXYKOG-SNVBAGLBSA-N 1 2 248.348 -0.354 20 0 BBADLO CS(=O)(=O)NC[C@@H]1COCC[N@@H+]1CC1CC1 ZINC000626095489 344735873 /nfs/dbraw/zinc/73/58/73/344735873.db2.gz AJFDBPVREXYKOG-SNVBAGLBSA-N 1 2 248.348 -0.354 20 0 BBADLO C[C@@H]1C[C@H](CO)CC[N@H+]1Cc1nnn(C)n1 ZINC000626120365 345509028 /nfs/dbraw/zinc/50/90/28/345509028.db2.gz AKEHGAFONDUVAC-RKDXNWHRSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@@H]1C[C@H](CO)CC[N@@H+]1Cc1nnn(C)n1 ZINC000626120365 345509025 /nfs/dbraw/zinc/50/90/25/345509025.db2.gz AKEHGAFONDUVAC-RKDXNWHRSA-N 1 2 225.296 -0.197 20 0 BBADLO Cn1nnc(C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)n1 ZINC000626140049 345635139 /nfs/dbraw/zinc/63/51/39/345635139.db2.gz LOXRALRFMMLINR-QXFUBDJGSA-N 1 2 223.280 -0.445 20 0 BBADLO Cn1nnc(C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)n1 ZINC000626140049 345635137 /nfs/dbraw/zinc/63/51/37/345635137.db2.gz LOXRALRFMMLINR-QXFUBDJGSA-N 1 2 223.280 -0.445 20 0 BBADLO O=c1[nH]nc(C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)[nH]1 ZINC000626140345 345646425 /nfs/dbraw/zinc/64/64/25/345646425.db2.gz YGLIGMZKLRGTGX-LKEWCRSYSA-N 1 2 224.264 -0.145 20 0 BBADLO O=c1[nH]nc(C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)[nH]1 ZINC000626140345 345646423 /nfs/dbraw/zinc/64/64/23/345646423.db2.gz YGLIGMZKLRGTGX-LKEWCRSYSA-N 1 2 224.264 -0.145 20 0 BBADLO CCNC(=O)C[N@H+]1CCO[C@@](C)(COC)C1 ZINC000626170325 346668905 /nfs/dbraw/zinc/66/89/05/346668905.db2.gz DTVRXYVKGLPVIF-LLVKDONJSA-N 1 2 230.308 -0.140 20 0 BBADLO CCNC(=O)C[N@@H+]1CCO[C@@](C)(COC)C1 ZINC000626170325 346668904 /nfs/dbraw/zinc/66/89/04/346668904.db2.gz DTVRXYVKGLPVIF-LLVKDONJSA-N 1 2 230.308 -0.140 20 0 BBADLO CCNC(=O)C[N@H+]1CCO[C@](C)(COC)C1 ZINC000626170326 346668635 /nfs/dbraw/zinc/66/86/35/346668635.db2.gz DTVRXYVKGLPVIF-NSHDSACASA-N 1 2 230.308 -0.140 20 0 BBADLO CCNC(=O)C[N@@H+]1CCO[C@](C)(COC)C1 ZINC000626170326 346668631 /nfs/dbraw/zinc/66/86/31/346668631.db2.gz DTVRXYVKGLPVIF-NSHDSACASA-N 1 2 230.308 -0.140 20 0 BBADLO COC[C@@]1(C)C[N@@H+](CC(=O)N(C)C)CCO1 ZINC000626171152 346687172 /nfs/dbraw/zinc/68/71/72/346687172.db2.gz VUPPLYHBRHSIHQ-LLVKDONJSA-N 1 2 230.308 -0.188 20 0 BBADLO COC[C@@]1(C)C[N@H+](CC(=O)N(C)C)CCO1 ZINC000626171152 346687169 /nfs/dbraw/zinc/68/71/69/346687169.db2.gz VUPPLYHBRHSIHQ-LLVKDONJSA-N 1 2 230.308 -0.188 20 0 BBADLO COC[C@]1(C)C[N@@H+](CC(=O)N(C)C)CCO1 ZINC000626171153 346687125 /nfs/dbraw/zinc/68/71/25/346687125.db2.gz VUPPLYHBRHSIHQ-NSHDSACASA-N 1 2 230.308 -0.188 20 0 BBADLO COC[C@]1(C)C[N@H+](CC(=O)N(C)C)CCO1 ZINC000626171153 346687122 /nfs/dbraw/zinc/68/71/22/346687122.db2.gz VUPPLYHBRHSIHQ-NSHDSACASA-N 1 2 230.308 -0.188 20 0 BBADLO CNC(=O)C[N@H+]1CCO[C@](C)(COC)C1 ZINC000626171414 346700802 /nfs/dbraw/zinc/70/08/02/346700802.db2.gz AIDSQFQBOQURRS-JTQLQIEISA-N 1 2 216.281 -0.530 20 0 BBADLO CNC(=O)C[N@@H+]1CCO[C@](C)(COC)C1 ZINC000626171414 346700799 /nfs/dbraw/zinc/70/07/99/346700799.db2.gz AIDSQFQBOQURRS-JTQLQIEISA-N 1 2 216.281 -0.530 20 0 BBADLO CNC(=O)C[N@H+]1CCO[C@@](C)(COC)C1 ZINC000626171415 346700784 /nfs/dbraw/zinc/70/07/84/346700784.db2.gz AIDSQFQBOQURRS-SNVBAGLBSA-N 1 2 216.281 -0.530 20 0 BBADLO CNC(=O)C[N@@H+]1CCO[C@@](C)(COC)C1 ZINC000626171415 346700781 /nfs/dbraw/zinc/70/07/81/346700781.db2.gz AIDSQFQBOQURRS-SNVBAGLBSA-N 1 2 216.281 -0.530 20 0 BBADLO COC[C@@]1(C)C[N@H+]([C@H](C)C(N)=O)CCO1 ZINC000626172004 346711840 /nfs/dbraw/zinc/71/18/40/346711840.db2.gz OYMDFSYYEZTTTL-PSASIEDQSA-N 1 2 216.281 -0.403 20 0 BBADLO COC[C@@]1(C)C[N@@H+]([C@H](C)C(N)=O)CCO1 ZINC000626172004 346711836 /nfs/dbraw/zinc/71/18/36/346711836.db2.gz OYMDFSYYEZTTTL-PSASIEDQSA-N 1 2 216.281 -0.403 20 0 BBADLO COC[C@]1(C)C[N@H+]([C@H](C)C(N)=O)CCO1 ZINC000626172005 346711727 /nfs/dbraw/zinc/71/17/27/346711727.db2.gz OYMDFSYYEZTTTL-SCZZXKLOSA-N 1 2 216.281 -0.403 20 0 BBADLO COC[C@]1(C)C[N@@H+]([C@H](C)C(N)=O)CCO1 ZINC000626172005 346711725 /nfs/dbraw/zinc/71/17/25/346711725.db2.gz OYMDFSYYEZTTTL-SCZZXKLOSA-N 1 2 216.281 -0.403 20 0 BBADLO COC[C@@]1(C)C[N@H+]([C@@H](C)C(N)=O)CCO1 ZINC000626172006 346711852 /nfs/dbraw/zinc/71/18/52/346711852.db2.gz OYMDFSYYEZTTTL-WCBMZHEXSA-N 1 2 216.281 -0.403 20 0 BBADLO COC[C@@]1(C)C[N@@H+]([C@@H](C)C(N)=O)CCO1 ZINC000626172006 346711851 /nfs/dbraw/zinc/71/18/51/346711851.db2.gz OYMDFSYYEZTTTL-WCBMZHEXSA-N 1 2 216.281 -0.403 20 0 BBADLO COC[C@]1(C)C[N@H+]([C@@H](C)C(N)=O)CCO1 ZINC000626172007 346712039 /nfs/dbraw/zinc/71/20/39/346712039.db2.gz OYMDFSYYEZTTTL-WPRPVWTQSA-N 1 2 216.281 -0.403 20 0 BBADLO COC[C@]1(C)C[N@@H+]([C@@H](C)C(N)=O)CCO1 ZINC000626172007 346712038 /nfs/dbraw/zinc/71/20/38/346712038.db2.gz OYMDFSYYEZTTTL-WPRPVWTQSA-N 1 2 216.281 -0.403 20 0 BBADLO COC[C@@]1(C)C[N@@H+](CC(N)=O)CCO1 ZINC000626172040 346711645 /nfs/dbraw/zinc/71/16/45/346711645.db2.gz POLGCIVGVYIUPP-SECBINFHSA-N 1 2 202.254 -0.791 20 0 BBADLO COC[C@@]1(C)C[N@H+](CC(N)=O)CCO1 ZINC000626172040 346711644 /nfs/dbraw/zinc/71/16/44/346711644.db2.gz POLGCIVGVYIUPP-SECBINFHSA-N 1 2 202.254 -0.791 20 0 BBADLO COC[C@]1(C)C[N@@H+](CC(N)=O)CCO1 ZINC000626172041 346711861 /nfs/dbraw/zinc/71/18/61/346711861.db2.gz POLGCIVGVYIUPP-VIFPVBQESA-N 1 2 202.254 -0.791 20 0 BBADLO COC[C@]1(C)C[N@H+](CC(N)=O)CCO1 ZINC000626172041 346711857 /nfs/dbraw/zinc/71/18/57/346711857.db2.gz POLGCIVGVYIUPP-VIFPVBQESA-N 1 2 202.254 -0.791 20 0 BBADLO COC[C@@]1(C)C[N@@H+](CC(=O)N2CCC2)CCO1 ZINC000626173642 346738193 /nfs/dbraw/zinc/73/81/93/346738193.db2.gz ZOSNELAVJHTOLP-GFCCVEGCSA-N 1 2 242.319 -0.044 20 0 BBADLO COC[C@@]1(C)C[N@H+](CC(=O)N2CCC2)CCO1 ZINC000626173642 346738192 /nfs/dbraw/zinc/73/81/92/346738192.db2.gz ZOSNELAVJHTOLP-GFCCVEGCSA-N 1 2 242.319 -0.044 20 0 BBADLO COC[C@]1(C)C[N@@H+](CC(=O)N2CCC2)CCO1 ZINC000626173643 346738156 /nfs/dbraw/zinc/73/81/56/346738156.db2.gz ZOSNELAVJHTOLP-LBPRGKRZSA-N 1 2 242.319 -0.044 20 0 BBADLO COC[C@]1(C)C[N@H+](CC(=O)N2CCC2)CCO1 ZINC000626173643 346738155 /nfs/dbraw/zinc/73/81/55/346738155.db2.gz ZOSNELAVJHTOLP-LBPRGKRZSA-N 1 2 242.319 -0.044 20 0 BBADLO COC[C@@]1(C)C[N@H+]([C@H]2CCN(C)C2=O)CCO1 ZINC000626173966 346744655 /nfs/dbraw/zinc/74/46/55/346744655.db2.gz HFZXDGWQVGLMAQ-CMPLNLGQSA-N 1 2 242.319 -0.046 20 0 BBADLO COC[C@@]1(C)C[N@@H+]([C@H]2CCN(C)C2=O)CCO1 ZINC000626173966 346744652 /nfs/dbraw/zinc/74/46/52/346744652.db2.gz HFZXDGWQVGLMAQ-CMPLNLGQSA-N 1 2 242.319 -0.046 20 0 BBADLO COC[C@]1(C)C[N@H+]([C@H]2CCN(C)C2=O)CCO1 ZINC000626173967 346744571 /nfs/dbraw/zinc/74/45/71/346744571.db2.gz HFZXDGWQVGLMAQ-JQWIXIFHSA-N 1 2 242.319 -0.046 20 0 BBADLO COC[C@]1(C)C[N@@H+]([C@H]2CCN(C)C2=O)CCO1 ZINC000626173967 346744570 /nfs/dbraw/zinc/74/45/70/346744570.db2.gz HFZXDGWQVGLMAQ-JQWIXIFHSA-N 1 2 242.319 -0.046 20 0 BBADLO COC[C@]1(C)C[N@H+]([C@@H]2CCN(C)C2=O)CCO1 ZINC000626173968 346744582 /nfs/dbraw/zinc/74/45/82/346744582.db2.gz HFZXDGWQVGLMAQ-PWSUYJOCSA-N 1 2 242.319 -0.046 20 0 BBADLO COC[C@]1(C)C[N@@H+]([C@@H]2CCN(C)C2=O)CCO1 ZINC000626173968 346744580 /nfs/dbraw/zinc/74/45/80/346744580.db2.gz HFZXDGWQVGLMAQ-PWSUYJOCSA-N 1 2 242.319 -0.046 20 0 BBADLO COC[C@@]1(C)C[N@H+]([C@@H]2CCN(C)C2=O)CCO1 ZINC000626173969 346744697 /nfs/dbraw/zinc/74/46/97/346744697.db2.gz HFZXDGWQVGLMAQ-ZYHUDNBSSA-N 1 2 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/nfs/dbraw/zinc/94/56/39/344945639.db2.gz SWLMYKXEJWEMMP-QMMMGPOBSA-N 1 2 223.280 -0.039 20 0 BBADLO Cc1c[nH]c(CN2CCN3C(=O)NC(=O)[C@H]3C2)[nH+]1 ZINC000628235061 346188321 /nfs/dbraw/zinc/18/83/21/346188321.db2.gz XYBHDZLKEZAKCR-MRVPVSSYSA-N 1 2 249.274 -0.546 20 0 BBADLO Cc1c[nH]c(CN2CCN3C(=O)NC(=O)[C@@H]3C2)[nH+]1 ZINC000628235062 346188656 /nfs/dbraw/zinc/18/86/56/346188656.db2.gz XYBHDZLKEZAKCR-QMMMGPOBSA-N 1 2 249.274 -0.546 20 0 BBADLO CNC(=O)[C@H]1CN(Cc2[nH]cc(C)[nH+]2)CCO1 ZINC000628236509 346191491 /nfs/dbraw/zinc/19/14/91/346191491.db2.gz FPCBMCHFKCVKJT-SECBINFHSA-N 1 2 238.291 -0.335 20 0 BBADLO CNC(=O)[C@@H]1CN(Cc2[nH]cc(C)[nH+]2)CCO1 ZINC000628236510 346191596 /nfs/dbraw/zinc/19/15/96/346191596.db2.gz FPCBMCHFKCVKJT-VIFPVBQESA-N 1 2 238.291 -0.335 20 0 BBADLO CNC(=O)[C@@H]1C[N@@H+](Cc2cnc(C)o2)CCO1 ZINC000628236819 346191667 /nfs/dbraw/zinc/19/16/67/346191667.db2.gz QVBYJGGLWKWXRD-JTQLQIEISA-N 1 2 239.275 -0.070 20 0 BBADLO CNC(=O)[C@@H]1C[N@H+](Cc2cnc(C)o2)CCO1 ZINC000628236819 346191665 /nfs/dbraw/zinc/19/16/65/346191665.db2.gz QVBYJGGLWKWXRD-JTQLQIEISA-N 1 2 239.275 -0.070 20 0 BBADLO CNC(=O)[C@H]1C[N@@H+](Cc2cnc(C)o2)CCO1 ZINC000628236820 346191633 /nfs/dbraw/zinc/19/16/33/346191633.db2.gz QVBYJGGLWKWXRD-SNVBAGLBSA-N 1 2 239.275 -0.070 20 0 BBADLO CNC(=O)[C@H]1C[N@H+](Cc2cnc(C)o2)CCO1 ZINC000628236820 346191631 /nfs/dbraw/zinc/19/16/31/346191631.db2.gz QVBYJGGLWKWXRD-SNVBAGLBSA-N 1 2 239.275 -0.070 20 0 BBADLO Cc1[nH]c(CN2C[C@@H](O)C[C@H]2CO)[nH+]c1C ZINC000628238325 346195100 /nfs/dbraw/zinc/19/51/00/346195100.db2.gz UHRXHAQAHRZBIZ-UWVGGRQHSA-N 1 2 225.292 -0.046 20 0 BBADLO Cc1nc(C[N@H+]2C[C@@H](O)C[C@H]2CO)[nH]c1C ZINC000628238325 346195099 /nfs/dbraw/zinc/19/50/99/346195099.db2.gz UHRXHAQAHRZBIZ-UWVGGRQHSA-N 1 2 225.292 -0.046 20 0 BBADLO Cc1nc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)[nH]c1C ZINC000628238325 346195097 /nfs/dbraw/zinc/19/50/97/346195097.db2.gz UHRXHAQAHRZBIZ-UWVGGRQHSA-N 1 2 225.292 -0.046 20 0 BBADLO Cc1[nH]c(CN2C[C@H](O)C[C@H]2CO)[nH+]c1C ZINC000628238326 346195000 /nfs/dbraw/zinc/19/50/00/346195000.db2.gz UHRXHAQAHRZBIZ-VHSXEESVSA-N 1 2 225.292 -0.046 20 0 BBADLO Cc1nc(C[N@H+]2C[C@H](O)C[C@H]2CO)[nH]c1C ZINC000628238326 346194998 /nfs/dbraw/zinc/19/49/98/346194998.db2.gz UHRXHAQAHRZBIZ-VHSXEESVSA-N 1 2 225.292 -0.046 20 0 BBADLO Cc1nc(C[N@@H+]2C[C@H](O)C[C@H]2CO)[nH]c1C ZINC000628238326 346194995 /nfs/dbraw/zinc/19/49/95/346194995.db2.gz UHRXHAQAHRZBIZ-VHSXEESVSA-N 1 2 225.292 -0.046 20 0 BBADLO Cc1c[nH]c(CN2CCN(C(=O)CO)CC2)[nH+]1 ZINC000628264904 346266011 /nfs/dbraw/zinc/26/60/11/346266011.db2.gz IBBZCQJPCYXVFN-UHFFFAOYSA-N 1 2 238.291 -0.645 20 0 BBADLO COCCN1CN(Cc2[nH]cc(C)[nH+]2)CC1=O ZINC000628265161 346266253 /nfs/dbraw/zinc/26/62/53/346266253.db2.gz RXLXFLHGZCBYGK-UHFFFAOYSA-N 1 2 238.291 -0.034 20 0 BBADLO Cc1c[nH]c(CN2CCOC[C@H](O)C2)[nH+]1 ZINC000628298257 397882883 /nfs/dbraw/zinc/88/28/83/397882883.db2.gz ZPYNORPMHZQWOP-SECBINFHSA-N 1 2 211.265 -0.089 20 0 BBADLO Cc1c[nH]c(CN2CCOC[C@@H](O)C2)[nH+]1 ZINC000628298258 397883001 /nfs/dbraw/zinc/88/30/01/397883001.db2.gz ZPYNORPMHZQWOP-VIFPVBQESA-N 1 2 211.265 -0.089 20 0 BBADLO Cc1[nH]c(CN2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)[nH+]c1C ZINC000628299768 347434190 /nfs/dbraw/zinc/43/41/90/347434190.db2.gz ZVRKPQCKXSYREL-DTORHVGOSA-N 1 2 248.286 -0.269 20 0 BBADLO CO[C@@H]1C[N@@H+](Cc2nc(C)c[nH]2)C[C@H]1O ZINC000628300776 348595067 /nfs/dbraw/zinc/59/50/67/348595067.db2.gz WGCCRIXDDXZUQK-RKDXNWHRSA-N 1 2 211.265 -0.090 20 0 BBADLO CO[C@@H]1C[N@H+](Cc2nc(C)c[nH]2)C[C@H]1O ZINC000628300776 348595064 /nfs/dbraw/zinc/59/50/64/348595064.db2.gz WGCCRIXDDXZUQK-RKDXNWHRSA-N 1 2 211.265 -0.090 20 0 BBADLO Cc1c[nH]c(CN2CCOC[C@H]2CC(N)=O)[nH+]1 ZINC000628303741 349278382 /nfs/dbraw/zinc/27/83/82/349278382.db2.gz NCZOHEJAGWNDBB-SECBINFHSA-N 1 2 238.291 -0.206 20 0 BBADLO Cc1c[nH]c(CN2CCOC[C@@H]2CC(N)=O)[nH+]1 ZINC000628303742 349278008 /nfs/dbraw/zinc/27/80/08/349278008.db2.gz NCZOHEJAGWNDBB-VIFPVBQESA-N 1 2 238.291 -0.206 20 0 BBADLO Cc1c[nH]c(CN2CC(S(C)(=O)=O)C2)[nH+]1 ZINC000628304269 349281131 /nfs/dbraw/zinc/28/11/31/349281131.db2.gz OFTSFNWPUPUYDZ-UHFFFAOYSA-N 1 2 229.305 -0.053 20 0 BBADLO COCC1(O)CN(Cc2[nH]cc(C)[nH+]2)C1 ZINC000628307849 350687531 /nfs/dbraw/zinc/68/75/31/350687531.db2.gz HGNVRXOMNFUQNV-UHFFFAOYSA-N 1 2 211.265 -0.089 20 0 BBADLO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1cn[nH]n1 ZINC000628363764 355850158 /nfs/dbraw/zinc/85/01/58/355850158.db2.gz XDUPPRCAUXKJLB-MRVPVSSYSA-N 1 2 223.280 -0.049 20 0 BBADLO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1c[nH]nn1 ZINC000628363764 355850154 /nfs/dbraw/zinc/85/01/54/355850154.db2.gz XDUPPRCAUXKJLB-MRVPVSSYSA-N 1 2 223.280 -0.049 20 0 BBADLO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1cn[nH]n1 ZINC000628363765 355850352 /nfs/dbraw/zinc/85/03/52/355850352.db2.gz XDUPPRCAUXKJLB-QMMMGPOBSA-N 1 2 223.280 -0.049 20 0 BBADLO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1c[nH]nn1 ZINC000628363765 355850348 /nfs/dbraw/zinc/85/03/48/355850348.db2.gz XDUPPRCAUXKJLB-QMMMGPOBSA-N 1 2 223.280 -0.049 20 0 BBADLO CCn1nncc1C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000628368133 355862307 /nfs/dbraw/zinc/86/23/07/355862307.db2.gz OQXORFFWTHXJIG-LLVKDONJSA-N 1 2 240.307 -0.119 20 0 BBADLO CCn1nncc1C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000628368133 355862303 /nfs/dbraw/zinc/86/23/03/355862303.db2.gz OQXORFFWTHXJIG-LLVKDONJSA-N 1 2 240.307 -0.119 20 0 BBADLO CCn1nncc1C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000628368134 355863623 /nfs/dbraw/zinc/86/36/23/355863623.db2.gz OQXORFFWTHXJIG-NSHDSACASA-N 1 2 240.307 -0.119 20 0 BBADLO CCn1nncc1C[N@H+](C)[C@]1(CO)CCOC1 ZINC000628368134 355863622 /nfs/dbraw/zinc/86/36/22/355863622.db2.gz OQXORFFWTHXJIG-NSHDSACASA-N 1 2 240.307 -0.119 20 0 BBADLO COc1nccnc1C[NH+](CCO)CCO ZINC000628370238 355880254 /nfs/dbraw/zinc/88/02/54/355880254.db2.gz GPXOVJSZPBTIFC-UHFFFAOYSA-N 1 2 227.264 -0.728 20 0 BBADLO COc1ncncc1C[NH+](CCO)CCO ZINC000628370393 355881466 /nfs/dbraw/zinc/88/14/66/355881466.db2.gz NLOUOBSPNXHRCS-UHFFFAOYSA-N 1 2 227.264 -0.728 20 0 BBADLO CCn1nnc(C)c1C[NH+](CCO)CCO ZINC000628370405 355881218 /nfs/dbraw/zinc/88/12/18/355881218.db2.gz OPSQSIAIKDZMKV-UHFFFAOYSA-N 1 2 228.296 -0.607 20 0 BBADLO OCC[NH+](CCO)Cc1cn(C2CCC2)nn1 ZINC000628370602 355883609 /nfs/dbraw/zinc/88/36/09/355883609.db2.gz MWSUKNFIJMLTJA-UHFFFAOYSA-N 1 2 240.307 -0.210 20 0 BBADLO Cc1nc(C[NH+](CCO)CCO)[nH]c1C ZINC000628370640 355883081 /nfs/dbraw/zinc/88/30/81/355883081.db2.gz RQYRSGGXBHQZBR-UHFFFAOYSA-N 1 2 213.281 -0.187 20 0 BBADLO Cc1[nH]c(CN(CCO)CCO)[nH+]c1C ZINC000628370640 355883077 /nfs/dbraw/zinc/88/30/77/355883077.db2.gz RQYRSGGXBHQZBR-UHFFFAOYSA-N 1 2 213.281 -0.187 20 0 BBADLO COCc1cnc(C[NH+]2C[C@H](O)[C@@H](O)C2)s1 ZINC000628414947 357231815 /nfs/dbraw/zinc/23/18/15/357231815.db2.gz XWZYIWUQBWDBRC-IUCAKERBSA-N 1 2 244.316 -0.173 20 0 BBADLO COc1nccnc1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000628415122 357232814 /nfs/dbraw/zinc/23/28/14/357232814.db2.gz JUIQTQDQDDNUOY-IUCAKERBSA-N 1 2 225.248 -0.977 20 0 BBADLO O[C@H]1C[NH+](Cc2cn(C3CCC3)nn2)C[C@@H]1O ZINC000628415191 357232669 /nfs/dbraw/zinc/23/26/69/357232669.db2.gz NQUCMLQICUICRQ-QWRGUYRKSA-N 1 2 238.291 -0.460 20 0 BBADLO Cc1[nH]c(CN2C[C@H](O)[C@@H](O)C2)[nH+]c1C ZINC000628415206 357232722 /nfs/dbraw/zinc/23/27/22/357232722.db2.gz OTYBOYAULNULEX-IUCAKERBSA-N 1 2 211.265 -0.436 20 0 BBADLO COc1ncncc1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000628415231 357232744 /nfs/dbraw/zinc/23/27/44/357232744.db2.gz PWCMDEVDXYOPRL-IUCAKERBSA-N 1 2 225.248 -0.977 20 0 BBADLO Cn1c[nH+]cc1CN1CC(NS(C)(=O)=O)C1 ZINC000628428381 357406725 /nfs/dbraw/zinc/40/67/25/357406725.db2.gz BRLWIDTWGUGZRB-UHFFFAOYSA-N 1 2 244.320 -0.847 20 0 BBADLO CS(=O)(=O)NC1C[NH+](CC2CC2)C1 ZINC000628428605 357407379 /nfs/dbraw/zinc/40/73/79/357407379.db2.gz QDRINJLHTUEGAC-UHFFFAOYSA-N 1 2 204.295 -0.370 20 0 BBADLO Cn1cc[nH+]c1CN1CC(NS(C)(=O)=O)C1 ZINC000628428709 357408005 /nfs/dbraw/zinc/40/80/05/357408005.db2.gz XTEVZMKEZKMSRT-UHFFFAOYSA-N 1 2 244.320 -0.847 20 0 BBADLO CS(=O)(=O)NC1C[NH+](CC2=CCCOC2)C1 ZINC000628428726 357408020 /nfs/dbraw/zinc/40/80/20/357408020.db2.gz YWRGVJKESPVXHC-UHFFFAOYSA-N 1 2 246.332 -0.434 20 0 BBADLO COC[C@H](C)C[NH+]1CC(NS(C)(=O)=O)C1 ZINC000628428854 357488678 /nfs/dbraw/zinc/48/86/78/357488678.db2.gz GGFHVNXRLMJNPU-MRVPVSSYSA-N 1 2 236.337 -0.498 20 0 BBADLO COC[C@@H](C)C[NH+]1CC(NS(C)(=O)=O)C1 ZINC000628428855 357488822 /nfs/dbraw/zinc/48/88/22/357488822.db2.gz GGFHVNXRLMJNPU-QMMMGPOBSA-N 1 2 236.337 -0.498 20 0 BBADLO Cc1c[nH]c(CN2CC(NS(C)(=O)=O)C2)[nH+]1 ZINC000628429215 357496882 /nfs/dbraw/zinc/49/68/82/357496882.db2.gz AOTQAIYWRJIPNV-UHFFFAOYSA-N 1 2 244.320 -0.548 20 0 BBADLO Cc1n[nH]cc1C[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000628474969 358909313 /nfs/dbraw/zinc/90/93/13/358909313.db2.gz YTSGSJXDXNGWEO-JTQLQIEISA-N 1 2 238.291 -0.206 20 0 BBADLO Cc1n[nH]cc1C[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000628474969 358909311 /nfs/dbraw/zinc/90/93/11/358909311.db2.gz YTSGSJXDXNGWEO-JTQLQIEISA-N 1 2 238.291 -0.206 20 0 BBADLO Cc1n[nH]cc1C[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000628474970 358910234 /nfs/dbraw/zinc/91/02/34/358910234.db2.gz YTSGSJXDXNGWEO-SNVBAGLBSA-N 1 2 238.291 -0.206 20 0 BBADLO Cc1n[nH]cc1C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000628474970 358910233 /nfs/dbraw/zinc/91/02/33/358910233.db2.gz YTSGSJXDXNGWEO-SNVBAGLBSA-N 1 2 238.291 -0.206 20 0 BBADLO Cc1c[nH]c(CN2CCO[C@H](CC(N)=O)C2)[nH+]1 ZINC000628475430 358948833 /nfs/dbraw/zinc/94/88/33/358948833.db2.gz RUVNNACMWJHWKU-SECBINFHSA-N 1 2 238.291 -0.206 20 0 BBADLO Cc1c[nH]c(CN2CCO[C@@H](CC(N)=O)C2)[nH+]1 ZINC000628475431 358948757 /nfs/dbraw/zinc/94/87/57/358948757.db2.gz RUVNNACMWJHWKU-VIFPVBQESA-N 1 2 238.291 -0.206 20 0 BBADLO O=C(c1ccc2[nH+]ccn2c1)N1C[C@H](O)[C@@H](O)C1 ZINC000628524420 360129669 /nfs/dbraw/zinc/12/96/69/360129669.db2.gz RYOZURKNTGORAL-UWVGGRQHSA-N 1 2 247.254 -0.488 20 0 BBADLO C[C@@H](CC(=O)N1C[C@H](O)[C@@H](O)C1)n1cc[nH+]c1 ZINC000628528384 360349290 /nfs/dbraw/zinc/34/92/90/360349290.db2.gz JKCHASNKUXMLDH-GUBZILKMSA-N 1 2 239.275 -0.602 20 0 BBADLO C[C@H](CC(=O)N1C[C@H](O)[C@@H](O)C1)n1cc[nH+]c1 ZINC000628528385 360348779 /nfs/dbraw/zinc/34/87/79/360348779.db2.gz JKCHASNKUXMLDH-UTLUCORTSA-N 1 2 239.275 -0.602 20 0 BBADLO COc1cc(NC(=O)[C@H]2C[N@@H+](C)CCO2)[nH]n1 ZINC000628626374 360578622 /nfs/dbraw/zinc/57/86/22/360578622.db2.gz HFRFJGHQXCSODQ-SSDOTTSWSA-N 1 2 240.263 -0.313 20 0 BBADLO COc1cc(NC(=O)[C@H]2C[N@H+](C)CCO2)[nH]n1 ZINC000628626374 360578615 /nfs/dbraw/zinc/57/86/15/360578615.db2.gz HFRFJGHQXCSODQ-SSDOTTSWSA-N 1 2 240.263 -0.313 20 0 BBADLO COc1cc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)[nH]n1 ZINC000628626375 360578586 /nfs/dbraw/zinc/57/85/86/360578586.db2.gz HFRFJGHQXCSODQ-ZETCQYMHSA-N 1 2 240.263 -0.313 20 0 BBADLO COc1cc(NC(=O)[C@@H]2C[N@H+](C)CCO2)[nH]n1 ZINC000628626375 360578579 /nfs/dbraw/zinc/57/85/79/360578579.db2.gz HFRFJGHQXCSODQ-ZETCQYMHSA-N 1 2 240.263 -0.313 20 0 BBADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000628776814 360643578 /nfs/dbraw/zinc/64/35/78/360643578.db2.gz QUOBEXAGHMMWGW-ZKCHVHJHSA-N 1 2 236.275 -0.359 20 0 BBADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000628776814 360643571 /nfs/dbraw/zinc/64/35/71/360643571.db2.gz QUOBEXAGHMMWGW-ZKCHVHJHSA-N 1 2 236.275 -0.359 20 0 BBADLO NC(=O)[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000628779517 360645787 /nfs/dbraw/zinc/64/57/87/360645787.db2.gz GDKWHFXWQAOTOO-ZKCHVHJHSA-N 1 2 222.248 -0.737 20 0 BBADLO NC(=O)[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000628779680 360645606 /nfs/dbraw/zinc/64/56/06/360645606.db2.gz HMXYZVCUCJBUFO-KYZUINATSA-N 1 2 236.275 -0.347 20 0 BBADLO Cc1[nH]c(C(=O)N[C@H]2C[C@H](C(N)=O)C2)c[nH+]1 ZINC000628780461 360646631 /nfs/dbraw/zinc/64/66/31/360646631.db2.gz WEPRPZKFMCVWJM-LJGSYFOKSA-N 1 2 222.248 -0.288 20 0 BBADLO NC(=O)[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000628834028 360687584 /nfs/dbraw/zinc/68/75/84/360687584.db2.gz XKAJYOWLHBHVHR-QMMMGPOBSA-N 1 2 222.248 -0.641 20 0 BBADLO CC1(C)C[NH+](CC(=O)N2CCC[C@H]2C(N)=O)C1 ZINC000628834372 360688929 /nfs/dbraw/zinc/68/89/29/360688929.db2.gz SXMGTWVOIGXMPZ-VIFPVBQESA-N 1 2 239.319 -0.196 20 0 BBADLO Cc1[nH]c(C(=O)N[C@@H]2COCCC2=O)c[nH+]1 ZINC000628872966 360714174 /nfs/dbraw/zinc/71/41/74/360714174.db2.gz ALKOORCCTFFHJI-MRVPVSSYSA-N 1 2 223.232 -0.194 20 0 BBADLO Cc1[nH]c(C(=O)N[C@H]2COCCC2=O)c[nH+]1 ZINC000628872967 360714254 /nfs/dbraw/zinc/71/42/54/360714254.db2.gz ALKOORCCTFFHJI-QMMMGPOBSA-N 1 2 223.232 -0.194 20 0 BBADLO O=C(CCn1cc[nH+]c1)N[C@@H]1COCCC1=O ZINC000628873578 360713126 /nfs/dbraw/zinc/71/31/26/360713126.db2.gz NKDQACWNTRJKHQ-SECBINFHSA-N 1 2 237.259 -0.253 20 0 BBADLO O=C(CCn1cc[nH+]c1)N[C@H]1COCCC1=O ZINC000628873579 360713629 /nfs/dbraw/zinc/71/36/29/360713629.db2.gz NKDQACWNTRJKHQ-VIFPVBQESA-N 1 2 237.259 -0.253 20 0 BBADLO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1COCCC1=O ZINC000628873610 360715359 /nfs/dbraw/zinc/71/53/59/360715359.db2.gz NVHPMQQGGGHZDI-NXEZZACHSA-N 1 2 240.303 -0.055 20 0 BBADLO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1COCCC1=O ZINC000628873610 360715354 /nfs/dbraw/zinc/71/53/54/360715354.db2.gz NVHPMQQGGGHZDI-NXEZZACHSA-N 1 2 240.303 -0.055 20 0 BBADLO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1COCCC1=O ZINC000628873611 360715184 /nfs/dbraw/zinc/71/51/84/360715184.db2.gz NVHPMQQGGGHZDI-UWVGGRQHSA-N 1 2 240.303 -0.055 20 0 BBADLO C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1COCCC1=O ZINC000628873611 360715181 /nfs/dbraw/zinc/71/51/81/360715181.db2.gz NVHPMQQGGGHZDI-UWVGGRQHSA-N 1 2 240.303 -0.055 20 0 BBADLO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1COCCC1=O ZINC000628873612 360715296 /nfs/dbraw/zinc/71/52/96/360715296.db2.gz NVHPMQQGGGHZDI-VHSXEESVSA-N 1 2 240.303 -0.055 20 0 BBADLO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1COCCC1=O ZINC000628873612 360715295 /nfs/dbraw/zinc/71/52/95/360715295.db2.gz NVHPMQQGGGHZDI-VHSXEESVSA-N 1 2 240.303 -0.055 20 0 BBADLO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1COCCC1=O ZINC000628873613 360715159 /nfs/dbraw/zinc/71/51/59/360715159.db2.gz NVHPMQQGGGHZDI-ZJUUUORDSA-N 1 2 240.303 -0.055 20 0 BBADLO C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1COCCC1=O ZINC000628873613 360715157 /nfs/dbraw/zinc/71/51/57/360715157.db2.gz NVHPMQQGGGHZDI-ZJUUUORDSA-N 1 2 240.303 -0.055 20 0 BBADLO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1COCCC1=O ZINC000628873810 360717352 /nfs/dbraw/zinc/71/73/52/360717352.db2.gz ROJFZJONGRRRNW-BDAKNGLRSA-N 1 2 226.276 -0.445 20 0 BBADLO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1COCCC1=O ZINC000628873810 360717351 /nfs/dbraw/zinc/71/73/51/360717351.db2.gz ROJFZJONGRRRNW-BDAKNGLRSA-N 1 2 226.276 -0.445 20 0 BBADLO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1COCCC1=O ZINC000628873811 360717378 /nfs/dbraw/zinc/71/73/78/360717378.db2.gz ROJFZJONGRRRNW-DTWKUNHWSA-N 1 2 226.276 -0.445 20 0 BBADLO C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1COCCC1=O ZINC000628873811 360717377 /nfs/dbraw/zinc/71/73/77/360717377.db2.gz ROJFZJONGRRRNW-DTWKUNHWSA-N 1 2 226.276 -0.445 20 0 BBADLO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1COCCC1=O ZINC000628873812 360717366 /nfs/dbraw/zinc/71/73/66/360717366.db2.gz ROJFZJONGRRRNW-IUCAKERBSA-N 1 2 226.276 -0.445 20 0 BBADLO C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1COCCC1=O ZINC000628873812 360717365 /nfs/dbraw/zinc/71/73/65/360717365.db2.gz ROJFZJONGRRRNW-IUCAKERBSA-N 1 2 226.276 -0.445 20 0 BBADLO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1COCCC1=O ZINC000628873813 360717363 /nfs/dbraw/zinc/71/73/63/360717363.db2.gz ROJFZJONGRRRNW-RKDXNWHRSA-N 1 2 226.276 -0.445 20 0 BBADLO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1COCCC1=O ZINC000628873813 360717362 /nfs/dbraw/zinc/71/73/62/360717362.db2.gz ROJFZJONGRRRNW-RKDXNWHRSA-N 1 2 226.276 -0.445 20 0 BBADLO CC1(C)C[NH+](CC(=O)N[C@@H]2COCCC2=O)C1 ZINC000628877960 360717188 /nfs/dbraw/zinc/71/71/88/360717188.db2.gz YVUPDQCVLIUMHF-SECBINFHSA-N 1 2 240.303 -0.198 20 0 BBADLO CC1(C)C[NH+](CC(=O)N[C@H]2COCCC2=O)C1 ZINC000628877961 360717294 /nfs/dbraw/zinc/71/72/94/360717294.db2.gz YVUPDQCVLIUMHF-VIFPVBQESA-N 1 2 240.303 -0.198 20 0 BBADLO COC[C@@H](OC)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628911521 360747304 /nfs/dbraw/zinc/74/73/04/360747304.db2.gz GAZLTEGOAIFAEW-NXEZZACHSA-N 1 2 246.307 -0.905 20 0 BBADLO COC[C@@H](OC)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628911521 360747299 /nfs/dbraw/zinc/74/72/99/360747299.db2.gz GAZLTEGOAIFAEW-NXEZZACHSA-N 1 2 246.307 -0.905 20 0 BBADLO COC[C@H](OC)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628911522 360747168 /nfs/dbraw/zinc/74/71/68/360747168.db2.gz GAZLTEGOAIFAEW-UWVGGRQHSA-N 1 2 246.307 -0.905 20 0 BBADLO COC[C@H](OC)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628911522 360747166 /nfs/dbraw/zinc/74/71/66/360747166.db2.gz GAZLTEGOAIFAEW-UWVGGRQHSA-N 1 2 246.307 -0.905 20 0 BBADLO COC[C@@H](OC)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628911523 360747933 /nfs/dbraw/zinc/74/79/33/360747933.db2.gz GAZLTEGOAIFAEW-VHSXEESVSA-N 1 2 246.307 -0.905 20 0 BBADLO COC[C@@H](OC)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628911523 360747928 /nfs/dbraw/zinc/74/79/28/360747928.db2.gz GAZLTEGOAIFAEW-VHSXEESVSA-N 1 2 246.307 -0.905 20 0 BBADLO COC[C@H](OC)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628911524 360747972 /nfs/dbraw/zinc/74/79/72/360747972.db2.gz GAZLTEGOAIFAEW-ZJUUUORDSA-N 1 2 246.307 -0.905 20 0 BBADLO COC[C@H](OC)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628911524 360747967 /nfs/dbraw/zinc/74/79/67/360747967.db2.gz GAZLTEGOAIFAEW-ZJUUUORDSA-N 1 2 246.307 -0.905 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000628911609 360747956 /nfs/dbraw/zinc/74/79/56/360747956.db2.gz IRMLGOMIMWVJTJ-UKKRHICBSA-N 1 2 240.303 -0.674 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000628911609 360747950 /nfs/dbraw/zinc/74/79/50/360747950.db2.gz IRMLGOMIMWVJTJ-UKKRHICBSA-N 1 2 240.303 -0.674 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000628911610 360747319 /nfs/dbraw/zinc/74/73/19/360747319.db2.gz IRMLGOMIMWVJTJ-ZNSHCXBVSA-N 1 2 240.303 -0.674 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000628911610 360747318 /nfs/dbraw/zinc/74/73/18/360747318.db2.gz IRMLGOMIMWVJTJ-ZNSHCXBVSA-N 1 2 240.303 -0.674 20 0 BBADLO COC1(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000628911723 360747491 /nfs/dbraw/zinc/74/74/91/360747491.db2.gz ATRRLNIBYANBKF-SECBINFHSA-N 1 2 228.292 -0.388 20 0 BBADLO COC1(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000628911723 360747483 /nfs/dbraw/zinc/74/74/83/360747483.db2.gz ATRRLNIBYANBKF-SECBINFHSA-N 1 2 228.292 -0.388 20 0 BBADLO COC1(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000628911724 360747786 /nfs/dbraw/zinc/74/77/86/360747786.db2.gz ATRRLNIBYANBKF-VIFPVBQESA-N 1 2 228.292 -0.388 20 0 BBADLO COC1(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000628911724 360747778 /nfs/dbraw/zinc/74/77/78/360747778.db2.gz ATRRLNIBYANBKF-VIFPVBQESA-N 1 2 228.292 -0.388 20 0 BBADLO Cc1c[nH]nc1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628912104 360744607 /nfs/dbraw/zinc/74/46/07/360744607.db2.gz BCSQEIKSLPXXFA-SECBINFHSA-N 1 2 238.291 -0.221 20 0 BBADLO Cc1c[nH]nc1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628912104 360744604 /nfs/dbraw/zinc/74/46/04/360744604.db2.gz BCSQEIKSLPXXFA-SECBINFHSA-N 1 2 238.291 -0.221 20 0 BBADLO Cc1c[nH]nc1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628912105 360745076 /nfs/dbraw/zinc/74/50/76/360745076.db2.gz BCSQEIKSLPXXFA-VIFPVBQESA-N 1 2 238.291 -0.221 20 0 BBADLO Cc1c[nH]nc1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628912105 360745073 /nfs/dbraw/zinc/74/50/73/360745073.db2.gz BCSQEIKSLPXXFA-VIFPVBQESA-N 1 2 238.291 -0.221 20 0 BBADLO COC1CC(C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000628912681 360744887 /nfs/dbraw/zinc/74/48/87/360744887.db2.gz XKDLTZWZQWPPDM-HSOILSAZSA-N 1 2 242.319 -0.142 20 0 BBADLO COC1CC(C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000628912681 360744883 /nfs/dbraw/zinc/74/48/83/360744883.db2.gz XKDLTZWZQWPPDM-HSOILSAZSA-N 1 2 242.319 -0.142 20 0 BBADLO COC1CC(C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000628912682 360746884 /nfs/dbraw/zinc/74/68/84/360746884.db2.gz XKDLTZWZQWPPDM-YVNMAJEFSA-N 1 2 242.319 -0.142 20 0 BBADLO COC1CC(C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000628912682 360746879 /nfs/dbraw/zinc/74/68/79/360746879.db2.gz XKDLTZWZQWPPDM-YVNMAJEFSA-N 1 2 242.319 -0.142 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@H](O)C1CC1 ZINC000628912944 360746834 /nfs/dbraw/zinc/74/68/34/360746834.db2.gz IDDWKCPNZMJHAF-NXEZZACHSA-N 1 2 228.292 -0.796 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H](O)C1CC1 ZINC000628912944 360746829 /nfs/dbraw/zinc/74/68/29/360746829.db2.gz IDDWKCPNZMJHAF-NXEZZACHSA-N 1 2 228.292 -0.796 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H](O)C1CC1 ZINC000628912945 360746538 /nfs/dbraw/zinc/74/65/38/360746538.db2.gz IDDWKCPNZMJHAF-UWVGGRQHSA-N 1 2 228.292 -0.796 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H](O)C1CC1 ZINC000628912945 360746531 /nfs/dbraw/zinc/74/65/31/360746531.db2.gz IDDWKCPNZMJHAF-UWVGGRQHSA-N 1 2 228.292 -0.796 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H](O)C1CC1 ZINC000628912946 360745891 /nfs/dbraw/zinc/74/58/91/360745891.db2.gz IDDWKCPNZMJHAF-VHSXEESVSA-N 1 2 228.292 -0.796 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H](O)C1CC1 ZINC000628912946 360745888 /nfs/dbraw/zinc/74/58/88/360745888.db2.gz IDDWKCPNZMJHAF-VHSXEESVSA-N 1 2 228.292 -0.796 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H](O)C1CC1 ZINC000628912947 360746562 /nfs/dbraw/zinc/74/65/62/360746562.db2.gz IDDWKCPNZMJHAF-ZJUUUORDSA-N 1 2 228.292 -0.796 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H](O)C1CC1 ZINC000628912947 360746559 /nfs/dbraw/zinc/74/65/59/360746559.db2.gz IDDWKCPNZMJHAF-ZJUUUORDSA-N 1 2 228.292 -0.796 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ncc[nH]1 ZINC000628912968 360745882 /nfs/dbraw/zinc/74/58/82/360745882.db2.gz IRFPMOWMLWFNII-MRVPVSSYSA-N 1 2 224.264 -0.530 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ncc[nH]1 ZINC000628912968 360745879 /nfs/dbraw/zinc/74/58/79/360745879.db2.gz IRFPMOWMLWFNII-MRVPVSSYSA-N 1 2 224.264 -0.530 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ncc[nH]1 ZINC000628912969 360746817 /nfs/dbraw/zinc/74/68/17/360746817.db2.gz IRFPMOWMLWFNII-QMMMGPOBSA-N 1 2 224.264 -0.530 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ncc[nH]1 ZINC000628912969 360746813 /nfs/dbraw/zinc/74/68/13/360746813.db2.gz IRFPMOWMLWFNII-QMMMGPOBSA-N 1 2 224.264 -0.530 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@H](O)C1CCC1 ZINC000628913389 360746580 /nfs/dbraw/zinc/74/65/80/360746580.db2.gz QSHIMBKLLVLQIV-GHMZBOCLSA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H](O)C1CCC1 ZINC000628913389 360746576 /nfs/dbraw/zinc/74/65/76/360746576.db2.gz QSHIMBKLLVLQIV-GHMZBOCLSA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H](O)C1CCC1 ZINC000628913390 360745915 /nfs/dbraw/zinc/74/59/15/360745915.db2.gz QSHIMBKLLVLQIV-MNOVXSKESA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H](O)C1CCC1 ZINC000628913390 360745912 /nfs/dbraw/zinc/74/59/12/360745912.db2.gz QSHIMBKLLVLQIV-MNOVXSKESA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H](O)C1CCC1 ZINC000628913391 360745837 /nfs/dbraw/zinc/74/58/37/360745837.db2.gz QSHIMBKLLVLQIV-QWRGUYRKSA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H](O)C1CCC1 ZINC000628913391 360745834 /nfs/dbraw/zinc/74/58/34/360745834.db2.gz QSHIMBKLLVLQIV-QWRGUYRKSA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H](O)C1CCC1 ZINC000628913392 360746897 /nfs/dbraw/zinc/74/68/97/360746897.db2.gz QSHIMBKLLVLQIV-WDEREUQCSA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H](O)C1CCC1 ZINC000628913392 360746891 /nfs/dbraw/zinc/74/68/91/360746891.db2.gz QSHIMBKLLVLQIV-WDEREUQCSA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)C(C)(C)CO ZINC000628913556 360746691 /nfs/dbraw/zinc/74/66/91/360746691.db2.gz AWBSJGJDRGXCHM-SECBINFHSA-N 1 2 230.308 -0.548 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C(C)(C)CO ZINC000628913556 360746684 /nfs/dbraw/zinc/74/66/84/360746684.db2.gz AWBSJGJDRGXCHM-SECBINFHSA-N 1 2 230.308 -0.548 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)CO ZINC000628913563 360746039 /nfs/dbraw/zinc/74/60/39/360746039.db2.gz AWBSJGJDRGXCHM-VIFPVBQESA-N 1 2 230.308 -0.548 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)CO ZINC000628913563 360746035 /nfs/dbraw/zinc/74/60/35/360746035.db2.gz AWBSJGJDRGXCHM-VIFPVBQESA-N 1 2 230.308 -0.548 20 0 BBADLO CC(C)[C@@](C)(O)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628913602 360746870 /nfs/dbraw/zinc/74/68/70/360746870.db2.gz BEYKYYWHPOJEEH-CMPLNLGQSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@@](C)(O)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628913602 360746865 /nfs/dbraw/zinc/74/68/65/360746865.db2.gz BEYKYYWHPOJEEH-CMPLNLGQSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@](C)(O)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628913603 360746456 /nfs/dbraw/zinc/74/64/56/360746456.db2.gz BEYKYYWHPOJEEH-JQWIXIFHSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@](C)(O)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628913603 360746450 /nfs/dbraw/zinc/74/64/50/360746450.db2.gz BEYKYYWHPOJEEH-JQWIXIFHSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@](C)(O)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628913604 360746075 /nfs/dbraw/zinc/74/60/75/360746075.db2.gz BEYKYYWHPOJEEH-PWSUYJOCSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@](C)(O)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628913604 360746073 /nfs/dbraw/zinc/74/60/73/360746073.db2.gz BEYKYYWHPOJEEH-PWSUYJOCSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@@](C)(O)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628913605 360746111 /nfs/dbraw/zinc/74/61/11/360746111.db2.gz BEYKYYWHPOJEEH-ZYHUDNBSSA-N 1 2 244.335 -0.160 20 0 BBADLO CC(C)[C@@](C)(O)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628913605 360746108 /nfs/dbraw/zinc/74/61/08/360746108.db2.gz BEYKYYWHPOJEEH-ZYHUDNBSSA-N 1 2 244.335 -0.160 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)C1(O)CCC1 ZINC000628913819 360745987 /nfs/dbraw/zinc/74/59/87/360745987.db2.gz DOKWJBFVHCOLRF-SECBINFHSA-N 1 2 228.292 -0.652 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1(O)CCC1 ZINC000628913819 360745983 /nfs/dbraw/zinc/74/59/83/360745983.db2.gz DOKWJBFVHCOLRF-SECBINFHSA-N 1 2 228.292 -0.652 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1(O)CCC1 ZINC000628913820 360745928 /nfs/dbraw/zinc/74/59/28/360745928.db2.gz DOKWJBFVHCOLRF-VIFPVBQESA-N 1 2 228.292 -0.652 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1(O)CCC1 ZINC000628913820 360745926 /nfs/dbraw/zinc/74/59/26/360745926.db2.gz DOKWJBFVHCOLRF-VIFPVBQESA-N 1 2 228.292 -0.652 20 0 BBADLO CC(C)[C@@H](O)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628914461 360748392 /nfs/dbraw/zinc/74/83/92/360748392.db2.gz MNWWHLVCPWLGLH-NXEZZACHSA-N 1 2 230.308 -0.550 20 0 BBADLO CC(C)[C@@H](O)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628914461 360748386 /nfs/dbraw/zinc/74/83/86/360748386.db2.gz MNWWHLVCPWLGLH-NXEZZACHSA-N 1 2 230.308 -0.550 20 0 BBADLO CC(C)[C@H](O)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628914462 360748852 /nfs/dbraw/zinc/74/88/52/360748852.db2.gz MNWWHLVCPWLGLH-UWVGGRQHSA-N 1 2 230.308 -0.550 20 0 BBADLO CC(C)[C@H](O)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628914462 360748848 /nfs/dbraw/zinc/74/88/48/360748848.db2.gz MNWWHLVCPWLGLH-UWVGGRQHSA-N 1 2 230.308 -0.550 20 0 BBADLO CC(C)[C@@H](O)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628914463 360748293 /nfs/dbraw/zinc/74/82/93/360748293.db2.gz MNWWHLVCPWLGLH-VHSXEESVSA-N 1 2 230.308 -0.550 20 0 BBADLO CC(C)[C@@H](O)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628914463 360748290 /nfs/dbraw/zinc/74/82/90/360748290.db2.gz MNWWHLVCPWLGLH-VHSXEESVSA-N 1 2 230.308 -0.550 20 0 BBADLO CC(C)[C@H](O)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628914464 360748375 /nfs/dbraw/zinc/74/83/75/360748375.db2.gz MNWWHLVCPWLGLH-ZJUUUORDSA-N 1 2 230.308 -0.550 20 0 BBADLO CC(C)[C@H](O)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628914464 360748372 /nfs/dbraw/zinc/74/83/72/360748372.db2.gz MNWWHLVCPWLGLH-ZJUUUORDSA-N 1 2 230.308 -0.550 20 0 BBADLO CC[C@](C)(CO)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628914542 360749078 /nfs/dbraw/zinc/74/90/78/360749078.db2.gz NOIWMGSXYSBMCN-CMPLNLGQSA-N 1 2 244.335 -0.158 20 0 BBADLO CC[C@](C)(CO)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628914542 360749074 /nfs/dbraw/zinc/74/90/74/360749074.db2.gz NOIWMGSXYSBMCN-CMPLNLGQSA-N 1 2 244.335 -0.158 20 0 BBADLO CC[C@@](C)(CO)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628914543 360749139 /nfs/dbraw/zinc/74/91/39/360749139.db2.gz NOIWMGSXYSBMCN-JQWIXIFHSA-N 1 2 244.335 -0.158 20 0 BBADLO CC[C@@](C)(CO)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628914543 360749136 /nfs/dbraw/zinc/74/91/36/360749136.db2.gz NOIWMGSXYSBMCN-JQWIXIFHSA-N 1 2 244.335 -0.158 20 0 BBADLO CC[C@@](C)(CO)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628914544 360748306 /nfs/dbraw/zinc/74/83/06/360748306.db2.gz NOIWMGSXYSBMCN-PWSUYJOCSA-N 1 2 244.335 -0.158 20 0 BBADLO CC[C@@](C)(CO)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628914544 360748302 /nfs/dbraw/zinc/74/83/02/360748302.db2.gz NOIWMGSXYSBMCN-PWSUYJOCSA-N 1 2 244.335 -0.158 20 0 BBADLO CC[C@](C)(CO)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628914545 360748559 /nfs/dbraw/zinc/74/85/59/360748559.db2.gz NOIWMGSXYSBMCN-ZYHUDNBSSA-N 1 2 244.335 -0.158 20 0 BBADLO CC[C@](C)(CO)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628914545 360748553 /nfs/dbraw/zinc/74/85/53/360748553.db2.gz NOIWMGSXYSBMCN-ZYHUDNBSSA-N 1 2 244.335 -0.158 20 0 BBADLO CN1CCOC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000628914736 360748572 /nfs/dbraw/zinc/74/85/72/360748572.db2.gz PHGUKAYPGCIKIL-JTQLQIEISA-N 1 2 238.291 -0.670 20 0 BBADLO CN1CCOC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000628914737 360748672 /nfs/dbraw/zinc/74/86/72/360748672.db2.gz PHGUKAYPGCIKIL-SNVBAGLBSA-N 1 2 238.291 -0.670 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)C1=CCOCC1 ZINC000628914787 360749174 /nfs/dbraw/zinc/74/91/74/360749174.db2.gz MHEXHTIMMKPIOJ-LLVKDONJSA-N 1 2 240.303 -0.220 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1=CCOCC1 ZINC000628914787 360749172 /nfs/dbraw/zinc/74/91/72/360749172.db2.gz MHEXHTIMMKPIOJ-LLVKDONJSA-N 1 2 240.303 -0.220 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1=CCOCC1 ZINC000628914788 360749186 /nfs/dbraw/zinc/74/91/86/360749186.db2.gz MHEXHTIMMKPIOJ-NSHDSACASA-N 1 2 240.303 -0.220 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1=CCOCC1 ZINC000628914788 360749183 /nfs/dbraw/zinc/74/91/83/360749183.db2.gz MHEXHTIMMKPIOJ-NSHDSACASA-N 1 2 240.303 -0.220 20 0 BBADLO Cn1cncc1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628914860 360748601 /nfs/dbraw/zinc/74/86/01/360748601.db2.gz NIUPJTPBECCRCO-SECBINFHSA-N 1 2 238.291 -0.520 20 0 BBADLO Cn1cncc1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628914860 360748594 /nfs/dbraw/zinc/74/85/94/360748594.db2.gz NIUPJTPBECCRCO-SECBINFHSA-N 1 2 238.291 -0.520 20 0 BBADLO Cn1cncc1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628914865 360748818 /nfs/dbraw/zinc/74/88/18/360748818.db2.gz NIUPJTPBECCRCO-VIFPVBQESA-N 1 2 238.291 -0.520 20 0 BBADLO Cn1cncc1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628914865 360748812 /nfs/dbraw/zinc/74/88/12/360748812.db2.gz NIUPJTPBECCRCO-VIFPVBQESA-N 1 2 238.291 -0.520 20 0 BBADLO CC[C@@H](O)CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628915254 360748724 /nfs/dbraw/zinc/74/87/24/360748724.db2.gz VYOHOPKZSPTNCY-NXEZZACHSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@@H](O)CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628915254 360748718 /nfs/dbraw/zinc/74/87/18/360748718.db2.gz VYOHOPKZSPTNCY-NXEZZACHSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@H](O)CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628915256 360750091 /nfs/dbraw/zinc/75/00/91/360750091.db2.gz VYOHOPKZSPTNCY-UWVGGRQHSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@H](O)CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628915256 360750089 /nfs/dbraw/zinc/75/00/89/360750089.db2.gz VYOHOPKZSPTNCY-UWVGGRQHSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@@H](O)CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628915257 360750543 /nfs/dbraw/zinc/75/05/43/360750543.db2.gz VYOHOPKZSPTNCY-VHSXEESVSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@@H](O)CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628915257 360750541 /nfs/dbraw/zinc/75/05/41/360750541.db2.gz VYOHOPKZSPTNCY-VHSXEESVSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@H](O)CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628915258 360750481 /nfs/dbraw/zinc/75/04/81/360750481.db2.gz VYOHOPKZSPTNCY-ZJUUUORDSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@H](O)CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628915258 360750478 /nfs/dbraw/zinc/75/04/78/360750478.db2.gz VYOHOPKZSPTNCY-ZJUUUORDSA-N 1 2 230.308 -0.406 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CCC(C)(C)O ZINC000628915373 360749940 /nfs/dbraw/zinc/74/99/40/360749940.db2.gz RJFOSNIBZMFEDF-JTQLQIEISA-N 1 2 244.335 -0.016 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CCC(C)(C)O ZINC000628915373 360749935 /nfs/dbraw/zinc/74/99/35/360749935.db2.gz RJFOSNIBZMFEDF-JTQLQIEISA-N 1 2 244.335 -0.016 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)CCC(C)(C)O ZINC000628915375 360750102 /nfs/dbraw/zinc/75/01/02/360750102.db2.gz RJFOSNIBZMFEDF-SNVBAGLBSA-N 1 2 244.335 -0.016 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CCC(C)(C)O ZINC000628915375 360750098 /nfs/dbraw/zinc/75/00/98/360750098.db2.gz RJFOSNIBZMFEDF-SNVBAGLBSA-N 1 2 244.335 -0.016 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cncnc1 ZINC000628915423 360749544 /nfs/dbraw/zinc/74/95/44/360749544.db2.gz RYLMOSRSJIXKMT-JTQLQIEISA-N 1 2 236.275 -0.463 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cncnc1 ZINC000628915423 360749541 /nfs/dbraw/zinc/74/95/41/360749541.db2.gz RYLMOSRSJIXKMT-JTQLQIEISA-N 1 2 236.275 -0.463 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)c1cncnc1 ZINC000628915424 360750433 /nfs/dbraw/zinc/75/04/33/360750433.db2.gz RYLMOSRSJIXKMT-SNVBAGLBSA-N 1 2 236.275 -0.463 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1cncnc1 ZINC000628915424 360750429 /nfs/dbraw/zinc/75/04/29/360750429.db2.gz RYLMOSRSJIXKMT-SNVBAGLBSA-N 1 2 236.275 -0.463 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@](C)(O)C1CC1 ZINC000628915531 360750031 /nfs/dbraw/zinc/75/00/31/360750031.db2.gz XSCSVQYFWFDQIV-CMPLNLGQSA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@](C)(O)C1CC1 ZINC000628915531 360750027 /nfs/dbraw/zinc/75/00/27/360750027.db2.gz XSCSVQYFWFDQIV-CMPLNLGQSA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@](C)(O)C1CC1 ZINC000628915532 360750080 /nfs/dbraw/zinc/75/00/80/360750080.db2.gz XSCSVQYFWFDQIV-JQWIXIFHSA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@](C)(O)C1CC1 ZINC000628915532 360750075 /nfs/dbraw/zinc/75/00/75/360750075.db2.gz XSCSVQYFWFDQIV-JQWIXIFHSA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@](C)(O)C1CC1 ZINC000628915533 360750161 /nfs/dbraw/zinc/75/01/61/360750161.db2.gz XSCSVQYFWFDQIV-PWSUYJOCSA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@](C)(O)C1CC1 ZINC000628915533 360750157 /nfs/dbraw/zinc/75/01/57/360750157.db2.gz XSCSVQYFWFDQIV-PWSUYJOCSA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@](C)(O)C1CC1 ZINC000628915534 360750018 /nfs/dbraw/zinc/75/00/18/360750018.db2.gz XSCSVQYFWFDQIV-ZYHUDNBSSA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@](C)(O)C1CC1 ZINC000628915534 360750014 /nfs/dbraw/zinc/75/00/14/360750014.db2.gz XSCSVQYFWFDQIV-ZYHUDNBSSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@@H]1C[C@@H](C(=O)NC[C@@H]2COCC[N@H+]2C)CO1 ZINC000628915673 360749903 /nfs/dbraw/zinc/74/99/03/360749903.db2.gz UGLIPTVWESSXBR-GMTAPVOTSA-N 1 2 242.319 -0.142 20 0 BBADLO C[C@@H]1C[C@@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)CO1 ZINC000628915673 360749898 /nfs/dbraw/zinc/74/98/98/360749898.db2.gz UGLIPTVWESSXBR-GMTAPVOTSA-N 1 2 242.319 -0.142 20 0 BBADLO C[C@@H]1C[C@@H](C(=O)NC[C@H]2COCC[N@H+]2C)CO1 ZINC000628915674 360750406 /nfs/dbraw/zinc/75/04/06/360750406.db2.gz UGLIPTVWESSXBR-MXWKQRLJSA-N 1 2 242.319 -0.142 20 0 BBADLO C[C@@H]1C[C@@H](C(=O)NC[C@H]2COCC[N@@H+]2C)CO1 ZINC000628915674 360750401 /nfs/dbraw/zinc/75/04/01/360750401.db2.gz UGLIPTVWESSXBR-MXWKQRLJSA-N 1 2 242.319 -0.142 20 0 BBADLO C[C@@H]1C[C@H](C(=O)NC[C@@H]2COCC[N@H+]2C)CO1 ZINC000628915675 360750532 /nfs/dbraw/zinc/75/05/32/360750532.db2.gz UGLIPTVWESSXBR-OUAUKWLOSA-N 1 2 242.319 -0.142 20 0 BBADLO C[C@@H]1C[C@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)CO1 ZINC000628915675 360750528 /nfs/dbraw/zinc/75/05/28/360750528.db2.gz UGLIPTVWESSXBR-OUAUKWLOSA-N 1 2 242.319 -0.142 20 0 BBADLO C[C@@H]1C[C@H](C(=O)NC[C@H]2COCC[N@H+]2C)CO1 ZINC000628915676 360750444 /nfs/dbraw/zinc/75/04/44/360750444.db2.gz UGLIPTVWESSXBR-VWYCJHECSA-N 1 2 242.319 -0.142 20 0 BBADLO C[C@@H]1C[C@H](C(=O)NC[C@H]2COCC[N@@H+]2C)CO1 ZINC000628915676 360750440 /nfs/dbraw/zinc/75/04/40/360750440.db2.gz UGLIPTVWESSXBR-VWYCJHECSA-N 1 2 242.319 -0.142 20 0 BBADLO COC(C)(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628915699 360750359 /nfs/dbraw/zinc/75/03/59/360750359.db2.gz DCXURVVZCSWGAE-SECBINFHSA-N 1 2 230.308 -0.142 20 0 BBADLO COC(C)(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628915699 360750356 /nfs/dbraw/zinc/75/03/56/360750356.db2.gz DCXURVVZCSWGAE-SECBINFHSA-N 1 2 230.308 -0.142 20 0 BBADLO COC(C)(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628915700 360750150 /nfs/dbraw/zinc/75/01/50/360750150.db2.gz DCXURVVZCSWGAE-VIFPVBQESA-N 1 2 230.308 -0.142 20 0 BBADLO COC(C)(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628915700 360750146 /nfs/dbraw/zinc/75/01/46/360750146.db2.gz DCXURVVZCSWGAE-VIFPVBQESA-N 1 2 230.308 -0.142 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)Cc1cc[nH]n1 ZINC000628915711 360749924 /nfs/dbraw/zinc/74/99/24/360749924.db2.gz DENDLGLIOSHUCY-JTQLQIEISA-N 1 2 238.291 -0.601 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Cc1cc[nH]n1 ZINC000628915711 360749918 /nfs/dbraw/zinc/74/99/18/360749918.db2.gz DENDLGLIOSHUCY-JTQLQIEISA-N 1 2 238.291 -0.601 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)Cc1cc[nH]n1 ZINC000628915712 360749962 /nfs/dbraw/zinc/74/99/62/360749962.db2.gz DENDLGLIOSHUCY-SNVBAGLBSA-N 1 2 238.291 -0.601 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)Cc1cc[nH]n1 ZINC000628915712 360749956 /nfs/dbraw/zinc/74/99/56/360749956.db2.gz DENDLGLIOSHUCY-SNVBAGLBSA-N 1 2 238.291 -0.601 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)C1CC(C)(O)C1 ZINC000628915763 360749529 /nfs/dbraw/zinc/74/95/29/360749529.db2.gz YNNHNFSYKFHHHX-SQLBVSGCSA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1CC(C)(O)C1 ZINC000628915763 360749527 /nfs/dbraw/zinc/74/95/27/360749527.db2.gz YNNHNFSYKFHHHX-SQLBVSGCSA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1CC(C)(O)C1 ZINC000628915764 360750250 /nfs/dbraw/zinc/75/02/50/360750250.db2.gz YNNHNFSYKFHHHX-YZRBJQDESA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1CC(C)(O)C1 ZINC000628915764 360750245 /nfs/dbraw/zinc/75/02/45/360750245.db2.gz YNNHNFSYKFHHHX-YZRBJQDESA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)C(C)(C)O ZINC000628915948 360750197 /nfs/dbraw/zinc/75/01/97/360750197.db2.gz VUOBIURCZZWVPB-MRVPVSSYSA-N 1 2 216.281 -0.796 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C(C)(C)O ZINC000628915948 360750194 /nfs/dbraw/zinc/75/01/94/360750194.db2.gz VUOBIURCZZWVPB-MRVPVSSYSA-N 1 2 216.281 -0.796 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)O ZINC000628915955 360750057 /nfs/dbraw/zinc/75/00/57/360750057.db2.gz VUOBIURCZZWVPB-QMMMGPOBSA-N 1 2 216.281 -0.796 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)O ZINC000628915955 360750055 /nfs/dbraw/zinc/75/00/55/360750055.db2.gz VUOBIURCZZWVPB-QMMMGPOBSA-N 1 2 216.281 -0.796 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@]1(C)CCOC1 ZINC000628916335 360751637 /nfs/dbraw/zinc/75/16/37/360751637.db2.gz XRPCXMMGLTUGJG-CMPLNLGQSA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@]1(C)CCOC1 ZINC000628916335 360751634 /nfs/dbraw/zinc/75/16/34/360751634.db2.gz XRPCXMMGLTUGJG-CMPLNLGQSA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@]1(C)CCOC1 ZINC000628916336 360751942 /nfs/dbraw/zinc/75/19/42/360751942.db2.gz XRPCXMMGLTUGJG-JQWIXIFHSA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@]1(C)CCOC1 ZINC000628916336 360751937 /nfs/dbraw/zinc/75/19/37/360751937.db2.gz XRPCXMMGLTUGJG-JQWIXIFHSA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@]1(C)CCOC1 ZINC000628916337 360751198 /nfs/dbraw/zinc/75/11/98/360751198.db2.gz XRPCXMMGLTUGJG-PWSUYJOCSA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@]1(C)CCOC1 ZINC000628916337 360751194 /nfs/dbraw/zinc/75/11/94/360751194.db2.gz XRPCXMMGLTUGJG-PWSUYJOCSA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@]1(C)CCOC1 ZINC000628916338 360751346 /nfs/dbraw/zinc/75/13/46/360751346.db2.gz XRPCXMMGLTUGJG-ZYHUDNBSSA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@]1(C)CCOC1 ZINC000628916338 360751341 /nfs/dbraw/zinc/75/13/41/360751341.db2.gz XRPCXMMGLTUGJG-ZYHUDNBSSA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)C1(C)COC1 ZINC000628916343 360751614 /nfs/dbraw/zinc/75/16/14/360751614.db2.gz XTNRMAMMEXLQRK-SECBINFHSA-N 1 2 228.292 -0.530 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1(C)COC1 ZINC000628916343 360751612 /nfs/dbraw/zinc/75/16/12/360751612.db2.gz XTNRMAMMEXLQRK-SECBINFHSA-N 1 2 228.292 -0.530 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1(C)COC1 ZINC000628916344 360751279 /nfs/dbraw/zinc/75/12/79/360751279.db2.gz XTNRMAMMEXLQRK-VIFPVBQESA-N 1 2 228.292 -0.530 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1(C)COC1 ZINC000628916344 360751274 /nfs/dbraw/zinc/75/12/74/360751274.db2.gz XTNRMAMMEXLQRK-VIFPVBQESA-N 1 2 228.292 -0.530 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccncn1 ZINC000628916456 360751691 /nfs/dbraw/zinc/75/16/91/360751691.db2.gz YYVMKJXWOMZNLF-SECBINFHSA-N 1 2 236.275 -0.463 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccncn1 ZINC000628916456 360751686 /nfs/dbraw/zinc/75/16/86/360751686.db2.gz YYVMKJXWOMZNLF-SECBINFHSA-N 1 2 236.275 -0.463 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccncn1 ZINC000628916457 360751872 /nfs/dbraw/zinc/75/18/72/360751872.db2.gz YYVMKJXWOMZNLF-VIFPVBQESA-N 1 2 236.275 -0.463 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccncn1 ZINC000628916457 360751868 /nfs/dbraw/zinc/75/18/68/360751868.db2.gz YYVMKJXWOMZNLF-VIFPVBQESA-N 1 2 236.275 -0.463 20 0 BBADLO COCC1(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000628916703 360748089 /nfs/dbraw/zinc/74/80/89/360748089.db2.gz GHOITEUTGBZLFM-JTQLQIEISA-N 1 2 242.319 -0.140 20 0 BBADLO COCC1(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000628916703 360748086 /nfs/dbraw/zinc/74/80/86/360748086.db2.gz GHOITEUTGBZLFM-JTQLQIEISA-N 1 2 242.319 -0.140 20 0 BBADLO COCC1(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000628916715 360747344 /nfs/dbraw/zinc/74/73/44/360747344.db2.gz GHOITEUTGBZLFM-SNVBAGLBSA-N 1 2 242.319 -0.140 20 0 BBADLO COCC1(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000628916715 360747343 /nfs/dbraw/zinc/74/73/43/360747343.db2.gz GHOITEUTGBZLFM-SNVBAGLBSA-N 1 2 242.319 -0.140 20 0 BBADLO CCC[C@@H](O)CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628917489 360753124 /nfs/dbraw/zinc/75/31/24/360753124.db2.gz KRVXWUXUJOCCMS-GHMZBOCLSA-N 1 2 244.335 -0.016 20 0 BBADLO CCC[C@@H](O)CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628917489 360753123 /nfs/dbraw/zinc/75/31/23/360753123.db2.gz KRVXWUXUJOCCMS-GHMZBOCLSA-N 1 2 244.335 -0.016 20 0 BBADLO CCC[C@H](O)CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628917490 360752954 /nfs/dbraw/zinc/75/29/54/360752954.db2.gz KRVXWUXUJOCCMS-MNOVXSKESA-N 1 2 244.335 -0.016 20 0 BBADLO CCC[C@H](O)CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628917490 360752951 /nfs/dbraw/zinc/75/29/51/360752951.db2.gz KRVXWUXUJOCCMS-MNOVXSKESA-N 1 2 244.335 -0.016 20 0 BBADLO CCC[C@H](O)CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628917491 360752943 /nfs/dbraw/zinc/75/29/43/360752943.db2.gz KRVXWUXUJOCCMS-QWRGUYRKSA-N 1 2 244.335 -0.016 20 0 BBADLO CCC[C@H](O)CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628917491 360752938 /nfs/dbraw/zinc/75/29/38/360752938.db2.gz KRVXWUXUJOCCMS-QWRGUYRKSA-N 1 2 244.335 -0.016 20 0 BBADLO CCC[C@@H](O)CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628917492 360753073 /nfs/dbraw/zinc/75/30/73/360753073.db2.gz KRVXWUXUJOCCMS-WDEREUQCSA-N 1 2 244.335 -0.016 20 0 BBADLO CCC[C@@H](O)CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628917492 360753069 /nfs/dbraw/zinc/75/30/69/360753069.db2.gz KRVXWUXUJOCCMS-WDEREUQCSA-N 1 2 244.335 -0.016 20 0 BBADLO COCCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628917762 360753010 /nfs/dbraw/zinc/75/30/10/360753010.db2.gz BNDQUCCBBZAKMV-SECBINFHSA-N 1 2 216.281 -0.530 20 0 BBADLO COCCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628917762 360753005 /nfs/dbraw/zinc/75/30/05/360753005.db2.gz BNDQUCCBBZAKMV-SECBINFHSA-N 1 2 216.281 -0.530 20 0 BBADLO Cc1cc(C(=O)NC[C@@H]2COCC[N@@H+]2C)[nH]n1 ZINC000628917764 360753112 /nfs/dbraw/zinc/75/31/12/360753112.db2.gz DJEYJPUUACRECV-SECBINFHSA-N 1 2 238.291 -0.221 20 0 BBADLO Cc1cc(C(=O)NC[C@@H]2COCC[N@H+]2C)[nH]n1 ZINC000628917764 360753111 /nfs/dbraw/zinc/75/31/11/360753111.db2.gz DJEYJPUUACRECV-SECBINFHSA-N 1 2 238.291 -0.221 20 0 BBADLO COCCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628917765 360752230 /nfs/dbraw/zinc/75/22/30/360752230.db2.gz BNDQUCCBBZAKMV-VIFPVBQESA-N 1 2 216.281 -0.530 20 0 BBADLO COCCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628917765 360752223 /nfs/dbraw/zinc/75/22/23/360752223.db2.gz BNDQUCCBBZAKMV-VIFPVBQESA-N 1 2 216.281 -0.530 20 0 BBADLO Cc1cc(C(=O)NC[C@H]2COCC[N@@H+]2C)[nH]n1 ZINC000628917768 360752639 /nfs/dbraw/zinc/75/26/39/360752639.db2.gz DJEYJPUUACRECV-VIFPVBQESA-N 1 2 238.291 -0.221 20 0 BBADLO Cc1cc(C(=O)NC[C@H]2COCC[N@H+]2C)[nH]n1 ZINC000628917768 360752635 /nfs/dbraw/zinc/75/26/35/360752635.db2.gz DJEYJPUUACRECV-VIFPVBQESA-N 1 2 238.291 -0.221 20 0 BBADLO COCCOCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628918037 360753539 /nfs/dbraw/zinc/75/35/39/360753539.db2.gz PJQDEYNYVMFCOZ-JTQLQIEISA-N 1 2 246.307 -0.904 20 0 BBADLO COCCOCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628918037 360753536 /nfs/dbraw/zinc/75/35/36/360753536.db2.gz PJQDEYNYVMFCOZ-JTQLQIEISA-N 1 2 246.307 -0.904 20 0 BBADLO COCCOCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628918043 360754319 /nfs/dbraw/zinc/75/43/19/360754319.db2.gz PJQDEYNYVMFCOZ-SNVBAGLBSA-N 1 2 246.307 -0.904 20 0 BBADLO COCCOCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628918043 360754316 /nfs/dbraw/zinc/75/43/16/360754316.db2.gz PJQDEYNYVMFCOZ-SNVBAGLBSA-N 1 2 246.307 -0.904 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCO1 ZINC000628918065 360753806 /nfs/dbraw/zinc/75/38/06/360753806.db2.gz NIBBHSXGQNDPAK-NXEZZACHSA-N 1 2 228.292 -0.388 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCO1 ZINC000628918065 360753801 /nfs/dbraw/zinc/75/38/01/360753801.db2.gz NIBBHSXGQNDPAK-NXEZZACHSA-N 1 2 228.292 -0.388 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCO1 ZINC000628918066 360753580 /nfs/dbraw/zinc/75/35/80/360753580.db2.gz NIBBHSXGQNDPAK-UWVGGRQHSA-N 1 2 228.292 -0.388 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCO1 ZINC000628918066 360753576 /nfs/dbraw/zinc/75/35/76/360753576.db2.gz NIBBHSXGQNDPAK-UWVGGRQHSA-N 1 2 228.292 -0.388 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC000628918067 360754019 /nfs/dbraw/zinc/75/40/19/360754019.db2.gz NIBBHSXGQNDPAK-VHSXEESVSA-N 1 2 228.292 -0.388 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC000628918067 360754014 /nfs/dbraw/zinc/75/40/14/360754014.db2.gz NIBBHSXGQNDPAK-VHSXEESVSA-N 1 2 228.292 -0.388 20 0 BBADLO CCOCCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628918212 360754401 /nfs/dbraw/zinc/75/44/01/360754401.db2.gz CIYOBRCUBBOMJO-JTQLQIEISA-N 1 2 230.308 -0.140 20 0 BBADLO CCOCCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628918212 360754395 /nfs/dbraw/zinc/75/43/95/360754395.db2.gz CIYOBRCUBBOMJO-JTQLQIEISA-N 1 2 230.308 -0.140 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC000628918213 360754127 /nfs/dbraw/zinc/75/41/27/360754127.db2.gz NIBBHSXGQNDPAK-ZJUUUORDSA-N 1 2 228.292 -0.388 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC000628918213 360754124 /nfs/dbraw/zinc/75/41/24/360754124.db2.gz NIBBHSXGQNDPAK-ZJUUUORDSA-N 1 2 228.292 -0.388 20 0 BBADLO CCOCCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628918214 360754336 /nfs/dbraw/zinc/75/43/36/360754336.db2.gz CIYOBRCUBBOMJO-SNVBAGLBSA-N 1 2 230.308 -0.140 20 0 BBADLO CCOCCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628918214 360754332 /nfs/dbraw/zinc/75/43/32/360754332.db2.gz CIYOBRCUBBOMJO-SNVBAGLBSA-N 1 2 230.308 -0.140 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)c1cn[nH]c1 ZINC000628918274 360753495 /nfs/dbraw/zinc/75/34/95/360753495.db2.gz FQUPHLFVPYZYCE-SECBINFHSA-N 1 2 224.264 -0.530 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1cn[nH]c1 ZINC000628918274 360753494 /nfs/dbraw/zinc/75/34/94/360753494.db2.gz FQUPHLFVPYZYCE-SECBINFHSA-N 1 2 224.264 -0.530 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cn[nH]c1 ZINC000628918275 360754117 /nfs/dbraw/zinc/75/41/17/360754117.db2.gz FQUPHLFVPYZYCE-VIFPVBQESA-N 1 2 224.264 -0.530 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn[nH]c1 ZINC000628918275 360754113 /nfs/dbraw/zinc/75/41/13/360754113.db2.gz FQUPHLFVPYZYCE-VIFPVBQESA-N 1 2 224.264 -0.530 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1(O)CCCC1 ZINC000628918556 360751232 /nfs/dbraw/zinc/75/12/32/360751232.db2.gz NIRVFNZOKUSOAN-JTQLQIEISA-N 1 2 242.319 -0.262 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1(O)CCCC1 ZINC000628918556 360751228 /nfs/dbraw/zinc/75/12/28/360751228.db2.gz NIRVFNZOKUSOAN-JTQLQIEISA-N 1 2 242.319 -0.262 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)C1(O)CCCC1 ZINC000628918560 360751579 /nfs/dbraw/zinc/75/15/79/360751579.db2.gz NIRVFNZOKUSOAN-SNVBAGLBSA-N 1 2 242.319 -0.262 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1(O)CCCC1 ZINC000628918560 360751576 /nfs/dbraw/zinc/75/15/76/360751576.db2.gz NIRVFNZOKUSOAN-SNVBAGLBSA-N 1 2 242.319 -0.262 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)C[C@H]1CCOC1 ZINC000628918563 360751331 /nfs/dbraw/zinc/75/13/31/360751331.db2.gz RCKQUPRXUTYUIO-GHMZBOCLSA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C[C@H]1CCOC1 ZINC000628918563 360751327 /nfs/dbraw/zinc/75/13/27/360751327.db2.gz RCKQUPRXUTYUIO-GHMZBOCLSA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C[C@H]1CCOC1 ZINC000628918564 360751264 /nfs/dbraw/zinc/75/12/64/360751264.db2.gz RCKQUPRXUTYUIO-MNOVXSKESA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@H]1CCOC1 ZINC000628918564 360751259 /nfs/dbraw/zinc/75/12/59/360751259.db2.gz RCKQUPRXUTYUIO-MNOVXSKESA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1CCOC1 ZINC000628918565 360751144 /nfs/dbraw/zinc/75/11/44/360751144.db2.gz RCKQUPRXUTYUIO-QWRGUYRKSA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1CCOC1 ZINC000628918565 360751140 /nfs/dbraw/zinc/75/11/40/360751140.db2.gz RCKQUPRXUTYUIO-QWRGUYRKSA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1CCOC1 ZINC000628918566 360751833 /nfs/dbraw/zinc/75/18/33/360751833.db2.gz RCKQUPRXUTYUIO-WDEREUQCSA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1CCOC1 ZINC000628918566 360751828 /nfs/dbraw/zinc/75/18/28/360751828.db2.gz RCKQUPRXUTYUIO-WDEREUQCSA-N 1 2 242.319 -0.140 20 0 BBADLO CO[C@@H](C(=O)NC[C@@H]1COCC[N@H+]1C)C1CC1 ZINC000628918772 360751212 /nfs/dbraw/zinc/75/12/12/360751212.db2.gz GHCDLMWGKMKEMZ-GHMZBOCLSA-N 1 2 242.319 -0.142 20 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242.319 -0.142 20 0 BBADLO CO[C@@H](C(=O)NC[C@H]1COCC[N@@H+]1C)C1CC1 ZINC000628918775 360751129 /nfs/dbraw/zinc/75/11/29/360751129.db2.gz GHCDLMWGKMKEMZ-WDEREUQCSA-N 1 2 242.319 -0.142 20 0 BBADLO CCO[C@@H]1C[C@@H]1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628919199 360752292 /nfs/dbraw/zinc/75/22/92/360752292.db2.gz JJOSFURHXWKFPM-GARJFASQSA-N 1 2 242.319 -0.142 20 0 BBADLO CCO[C@@H]1C[C@@H]1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628919199 360752288 /nfs/dbraw/zinc/75/22/88/360752288.db2.gz JJOSFURHXWKFPM-GARJFASQSA-N 1 2 242.319 -0.142 20 0 BBADLO CCO[C@@H]1C[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628919200 360752589 /nfs/dbraw/zinc/75/25/89/360752589.db2.gz JJOSFURHXWKFPM-GMTAPVOTSA-N 1 2 242.319 -0.142 20 0 BBADLO CCO[C@@H]1C[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628919200 360752583 /nfs/dbraw/zinc/75/25/83/360752583.db2.gz JJOSFURHXWKFPM-GMTAPVOTSA-N 1 2 242.319 -0.142 20 0 BBADLO CCO[C@@H]1C[C@H]1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628919201 360752778 /nfs/dbraw/zinc/75/27/78/360752778.db2.gz 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/nfs/dbraw/zinc/75/22/10/360752210.db2.gz PWYAUXOXQHAXDK-VIFPVBQESA-N 1 2 238.291 -0.520 20 0 BBADLO Cn1cnc(C(=O)NC[C@H]2COCC[N@@H+]2C)c1 ZINC000628919255 360752207 /nfs/dbraw/zinc/75/22/07/360752207.db2.gz PWYAUXOXQHAXDK-VIFPVBQESA-N 1 2 238.291 -0.520 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)COC(F)F ZINC000628919472 360752556 /nfs/dbraw/zinc/75/25/56/360752556.db2.gz HQCHLXAUKHCNFP-SSDOTTSWSA-N 1 2 238.234 -0.328 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)COC(F)F ZINC000628919472 360752551 /nfs/dbraw/zinc/75/25/51/360752551.db2.gz HQCHLXAUKHCNFP-SSDOTTSWSA-N 1 2 238.234 -0.328 20 0 BBADLO Cc1ncc(C(=O)NC[C@@H]2COCC[N@@H+]2C)[nH]1 ZINC000628919481 360750961 /nfs/dbraw/zinc/75/09/61/360750961.db2.gz UHUHEYAYPQSODN-SECBINFHSA-N 1 2 238.291 -0.221 20 0 BBADLO Cc1ncc(C(=O)NC[C@@H]2COCC[N@H+]2C)[nH]1 ZINC000628919481 360750957 /nfs/dbraw/zinc/75/09/57/360750957.db2.gz UHUHEYAYPQSODN-SECBINFHSA-N 1 2 238.291 -0.221 20 0 BBADLO Cc1ncc(C(=O)NC[C@H]2COCC[N@@H+]2C)[nH]1 ZINC000628919482 360751657 /nfs/dbraw/zinc/75/16/57/360751657.db2.gz UHUHEYAYPQSODN-VIFPVBQESA-N 1 2 238.291 -0.221 20 0 BBADLO Cc1ncc(C(=O)NC[C@H]2COCC[N@H+]2C)[nH]1 ZINC000628919482 360751655 /nfs/dbraw/zinc/75/16/55/360751655.db2.gz UHUHEYAYPQSODN-VIFPVBQESA-N 1 2 238.291 -0.221 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)COC(F)F ZINC000628919485 360751525 /nfs/dbraw/zinc/75/15/25/360751525.db2.gz HQCHLXAUKHCNFP-ZETCQYMHSA-N 1 2 238.234 -0.328 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)COC(F)F ZINC000628919485 360751521 /nfs/dbraw/zinc/75/15/21/360751521.db2.gz HQCHLXAUKHCNFP-ZETCQYMHSA-N 1 2 238.234 -0.328 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCOC1 ZINC000628919940 360756745 /nfs/dbraw/zinc/75/67/45/360756745.db2.gz LKNKPUPFOTZCJY-NXEZZACHSA-N 1 2 228.292 -0.530 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCOC1 ZINC000628919940 360756743 /nfs/dbraw/zinc/75/67/43/360756743.db2.gz LKNKPUPFOTZCJY-NXEZZACHSA-N 1 2 228.292 -0.530 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC000628919941 360757268 /nfs/dbraw/zinc/75/72/68/360757268.db2.gz LKNKPUPFOTZCJY-UWVGGRQHSA-N 1 2 228.292 -0.530 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC000628919941 360757267 /nfs/dbraw/zinc/75/72/67/360757267.db2.gz LKNKPUPFOTZCJY-UWVGGRQHSA-N 1 2 228.292 -0.530 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCOC1 ZINC000628919942 360756962 /nfs/dbraw/zinc/75/69/62/360756962.db2.gz LKNKPUPFOTZCJY-VHSXEESVSA-N 1 2 228.292 -0.530 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCOC1 ZINC000628919942 360756959 /nfs/dbraw/zinc/75/69/59/360756959.db2.gz LKNKPUPFOTZCJY-VHSXEESVSA-N 1 2 228.292 -0.530 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCOC1 ZINC000628919943 360756883 /nfs/dbraw/zinc/75/68/83/360756883.db2.gz LKNKPUPFOTZCJY-ZJUUUORDSA-N 1 2 228.292 -0.530 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCOC1 ZINC000628919943 360756879 /nfs/dbraw/zinc/75/68/79/360756879.db2.gz LKNKPUPFOTZCJY-ZJUUUORDSA-N 1 2 228.292 -0.530 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)COCC1CC1 ZINC000628920001 360756349 /nfs/dbraw/zinc/75/63/49/360756349.db2.gz ACWQBMUQWADZJJ-LLVKDONJSA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)COCC1CC1 ZINC000628920001 360756345 /nfs/dbraw/zinc/75/63/45/360756345.db2.gz ACWQBMUQWADZJJ-LLVKDONJSA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)COCC1CC1 ZINC000628920002 360756840 /nfs/dbraw/zinc/75/68/40/360756840.db2.gz ACWQBMUQWADZJJ-NSHDSACASA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)COCC1CC1 ZINC000628920002 360756837 /nfs/dbraw/zinc/75/68/37/360756837.db2.gz ACWQBMUQWADZJJ-NSHDSACASA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccn[nH]1 ZINC000628920010 360756668 /nfs/dbraw/zinc/75/66/68/360756668.db2.gz AFLGMFVCMULYSQ-MRVPVSSYSA-N 1 2 224.264 -0.530 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccn[nH]1 ZINC000628920010 360756665 /nfs/dbraw/zinc/75/66/65/360756665.db2.gz AFLGMFVCMULYSQ-MRVPVSSYSA-N 1 2 224.264 -0.530 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccn[nH]1 ZINC000628920012 360757170 /nfs/dbraw/zinc/75/71/70/360757170.db2.gz AFLGMFVCMULYSQ-QMMMGPOBSA-N 1 2 224.264 -0.530 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccn[nH]1 ZINC000628920012 360757167 /nfs/dbraw/zinc/75/71/67/360757167.db2.gz AFLGMFVCMULYSQ-QMMMGPOBSA-N 1 2 224.264 -0.530 20 0 BBADLO CO[C@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628920024 360757129 /nfs/dbraw/zinc/75/71/29/360757129.db2.gz MJCPHUBOMHPSOM-BDAKNGLRSA-N 1 2 216.281 -0.532 20 0 BBADLO CO[C@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628920024 360757127 /nfs/dbraw/zinc/75/71/27/360757127.db2.gz MJCPHUBOMHPSOM-BDAKNGLRSA-N 1 2 216.281 -0.532 20 0 BBADLO CO[C@@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628920032 360757179 /nfs/dbraw/zinc/75/71/79/360757179.db2.gz MJCPHUBOMHPSOM-DTWKUNHWSA-N 1 2 216.281 -0.532 20 0 BBADLO CO[C@@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628920032 360757177 /nfs/dbraw/zinc/75/71/77/360757177.db2.gz MJCPHUBOMHPSOM-DTWKUNHWSA-N 1 2 216.281 -0.532 20 0 BBADLO CO[C@@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628920033 360756362 /nfs/dbraw/zinc/75/63/62/360756362.db2.gz MJCPHUBOMHPSOM-IUCAKERBSA-N 1 2 216.281 -0.532 20 0 BBADLO CO[C@@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628920033 360756360 /nfs/dbraw/zinc/75/63/60/360756360.db2.gz MJCPHUBOMHPSOM-IUCAKERBSA-N 1 2 216.281 -0.532 20 0 BBADLO CO[C@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628920036 360756994 /nfs/dbraw/zinc/75/69/94/360756994.db2.gz MJCPHUBOMHPSOM-RKDXNWHRSA-N 1 2 216.281 -0.532 20 0 BBADLO CO[C@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628920036 360756990 /nfs/dbraw/zinc/75/69/90/360756990.db2.gz MJCPHUBOMHPSOM-RKDXNWHRSA-N 1 2 216.281 -0.532 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)Cc1ccon1 ZINC000628920513 360756299 /nfs/dbraw/zinc/75/62/99/360756299.db2.gz YYBDOPSFHRPWNP-JTQLQIEISA-N 1 2 239.275 -0.336 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Cc1ccon1 ZINC000628920513 360756296 /nfs/dbraw/zinc/75/62/96/360756296.db2.gz YYBDOPSFHRPWNP-JTQLQIEISA-N 1 2 239.275 -0.336 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)Cc1ccon1 ZINC000628920514 360757091 /nfs/dbraw/zinc/75/70/91/360757091.db2.gz YYBDOPSFHRPWNP-SNVBAGLBSA-N 1 2 239.275 -0.336 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)Cc1ccon1 ZINC000628920514 360757085 /nfs/dbraw/zinc/75/70/85/360757085.db2.gz YYBDOPSFHRPWNP-SNVBAGLBSA-N 1 2 239.275 -0.336 20 0 BBADLO C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628920537 360757229 /nfs/dbraw/zinc/75/72/29/360757229.db2.gz YBRQIIPWJNVANF-AXFHLTTASA-N 1 2 242.319 -0.142 20 0 BBADLO C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628920537 360757227 /nfs/dbraw/zinc/75/72/27/360757227.db2.gz YBRQIIPWJNVANF-AXFHLTTASA-N 1 2 242.319 -0.142 20 0 BBADLO C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628920538 360757194 /nfs/dbraw/zinc/75/71/94/360757194.db2.gz YBRQIIPWJNVANF-DCAQKATOSA-N 1 2 242.319 -0.142 20 0 BBADLO C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628920538 360757190 /nfs/dbraw/zinc/75/71/90/360757190.db2.gz YBRQIIPWJNVANF-DCAQKATOSA-N 1 2 242.319 -0.142 20 0 BBADLO C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628920539 360756857 /nfs/dbraw/zinc/75/68/57/360756857.db2.gz YBRQIIPWJNVANF-GARJFASQSA-N 1 2 242.319 -0.142 20 0 BBADLO C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628920539 360756854 /nfs/dbraw/zinc/75/68/54/360756854.db2.gz YBRQIIPWJNVANF-GARJFASQSA-N 1 2 242.319 -0.142 20 0 BBADLO C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628920540 360757107 /nfs/dbraw/zinc/75/71/07/360757107.db2.gz YBRQIIPWJNVANF-HBNTYKKESA-N 1 2 242.319 -0.142 20 0 BBADLO C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628920540 360757102 /nfs/dbraw/zinc/75/71/02/360757102.db2.gz YBRQIIPWJNVANF-HBNTYKKESA-N 1 2 242.319 -0.142 20 0 BBADLO CC(C)OCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628921141 360753981 /nfs/dbraw/zinc/75/39/81/360753981.db2.gz PAHSNSNSCLZQSD-JTQLQIEISA-N 1 2 230.308 -0.142 20 0 BBADLO CC(C)OCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628921141 360753977 /nfs/dbraw/zinc/75/39/77/360753977.db2.gz PAHSNSNSCLZQSD-JTQLQIEISA-N 1 2 230.308 -0.142 20 0 BBADLO CC(C)OCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628921143 360754543 /nfs/dbraw/zinc/75/45/43/360754543.db2.gz PAHSNSNSCLZQSD-SNVBAGLBSA-N 1 2 230.308 -0.142 20 0 BBADLO CC(C)OCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628921143 360754541 /nfs/dbraw/zinc/75/45/41/360754541.db2.gz PAHSNSNSCLZQSD-SNVBAGLBSA-N 1 2 230.308 -0.142 20 0 BBADLO CCCOCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628921169 360753741 /nfs/dbraw/zinc/75/37/41/360753741.db2.gz PJNGFYSUQYOHNZ-JTQLQIEISA-N 1 2 230.308 -0.140 20 0 BBADLO CCCOCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628921169 360753737 /nfs/dbraw/zinc/75/37/37/360753737.db2.gz PJNGFYSUQYOHNZ-JTQLQIEISA-N 1 2 230.308 -0.140 20 0 BBADLO CCCOCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628921170 360754185 /nfs/dbraw/zinc/75/41/85/360754185.db2.gz PJNGFYSUQYOHNZ-SNVBAGLBSA-N 1 2 230.308 -0.140 20 0 BBADLO CCCOCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628921170 360754182 /nfs/dbraw/zinc/75/41/82/360754182.db2.gz PJNGFYSUQYOHNZ-SNVBAGLBSA-N 1 2 230.308 -0.140 20 0 BBADLO COCCCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628921278 360753880 /nfs/dbraw/zinc/75/38/80/360753880.db2.gz QEIRHVXVBDPBNQ-JTQLQIEISA-N 1 2 230.308 -0.140 20 0 BBADLO COCCCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628921278 360753875 /nfs/dbraw/zinc/75/38/75/360753875.db2.gz QEIRHVXVBDPBNQ-JTQLQIEISA-N 1 2 230.308 -0.140 20 0 BBADLO COCCCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628921280 360753595 /nfs/dbraw/zinc/75/35/95/360753595.db2.gz QEIRHVXVBDPBNQ-SNVBAGLBSA-N 1 2 230.308 -0.140 20 0 BBADLO COCCCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628921280 360753590 /nfs/dbraw/zinc/75/35/90/360753590.db2.gz QEIRHVXVBDPBNQ-SNVBAGLBSA-N 1 2 230.308 -0.140 20 0 BBADLO CCC[C@@](C)(O)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628921465 360755736 /nfs/dbraw/zinc/75/57/36/360755736.db2.gz ZVBGXPQVQWWGIK-CMPLNLGQSA-N 1 2 244.335 -0.016 20 0 BBADLO CCC[C@@](C)(O)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628921465 360755731 /nfs/dbraw/zinc/75/57/31/360755731.db2.gz ZVBGXPQVQWWGIK-CMPLNLGQSA-N 1 2 244.335 -0.016 20 0 BBADLO CCC[C@](C)(O)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628921466 360755234 /nfs/dbraw/zinc/75/52/34/360755234.db2.gz ZVBGXPQVQWWGIK-JQWIXIFHSA-N 1 2 244.335 -0.016 20 0 BBADLO CCC[C@](C)(O)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628921466 360755232 /nfs/dbraw/zinc/75/52/32/360755232.db2.gz ZVBGXPQVQWWGIK-JQWIXIFHSA-N 1 2 244.335 -0.016 20 0 BBADLO CCC[C@](C)(O)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628921467 360755775 /nfs/dbraw/zinc/75/57/75/360755775.db2.gz ZVBGXPQVQWWGIK-PWSUYJOCSA-N 1 2 244.335 -0.016 20 0 BBADLO CCC[C@](C)(O)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628921467 360755771 /nfs/dbraw/zinc/75/57/71/360755771.db2.gz ZVBGXPQVQWWGIK-PWSUYJOCSA-N 1 2 244.335 -0.016 20 0 BBADLO CCC[C@@](C)(O)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628921468 360755177 /nfs/dbraw/zinc/75/51/77/360755177.db2.gz ZVBGXPQVQWWGIK-ZYHUDNBSSA-N 1 2 244.335 -0.016 20 0 BBADLO CCC[C@@](C)(O)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628921468 360755175 /nfs/dbraw/zinc/75/51/75/360755175.db2.gz ZVBGXPQVQWWGIK-ZYHUDNBSSA-N 1 2 244.335 -0.016 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)c1cnc[nH]1 ZINC000628921799 360755609 /nfs/dbraw/zinc/75/56/09/360755609.db2.gz LQMMVSAEIMGZTK-MRVPVSSYSA-N 1 2 224.264 -0.530 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1cnc[nH]1 ZINC000628921799 360755604 /nfs/dbraw/zinc/75/56/04/360755604.db2.gz LQMMVSAEIMGZTK-MRVPVSSYSA-N 1 2 224.264 -0.530 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cnc[nH]1 ZINC000628921800 360755263 /nfs/dbraw/zinc/75/52/63/360755263.db2.gz LQMMVSAEIMGZTK-QMMMGPOBSA-N 1 2 224.264 -0.530 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnc[nH]1 ZINC000628921800 360755260 /nfs/dbraw/zinc/75/52/60/360755260.db2.gz LQMMVSAEIMGZTK-QMMMGPOBSA-N 1 2 224.264 -0.530 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)CC(C)(C)O ZINC000628921861 360755314 /nfs/dbraw/zinc/75/53/14/360755314.db2.gz MBMRVPSMWVDMDI-SECBINFHSA-N 1 2 230.308 -0.406 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CC(C)(C)O ZINC000628921861 360755311 /nfs/dbraw/zinc/75/53/11/360755311.db2.gz MBMRVPSMWVDMDI-SECBINFHSA-N 1 2 230.308 -0.406 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CC(C)(C)O ZINC000628921862 360755278 /nfs/dbraw/zinc/75/52/78/360755278.db2.gz MBMRVPSMWVDMDI-VIFPVBQESA-N 1 2 230.308 -0.406 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CC(C)(C)O ZINC000628921862 360755277 /nfs/dbraw/zinc/75/52/77/360755277.db2.gz MBMRVPSMWVDMDI-VIFPVBQESA-N 1 2 230.308 -0.406 20 0 BBADLO Cn1nccc1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628922056 360755749 /nfs/dbraw/zinc/75/57/49/360755749.db2.gz UTJAIRJKDSGKPQ-SECBINFHSA-N 1 2 238.291 -0.520 20 0 BBADLO Cn1nccc1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628922056 360755746 /nfs/dbraw/zinc/75/57/46/360755746.db2.gz UTJAIRJKDSGKPQ-SECBINFHSA-N 1 2 238.291 -0.520 20 0 BBADLO Cn1nccc1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628922058 360755376 /nfs/dbraw/zinc/75/53/76/360755376.db2.gz UTJAIRJKDSGKPQ-VIFPVBQESA-N 1 2 238.291 -0.520 20 0 BBADLO Cn1nccc1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628922058 360755372 /nfs/dbraw/zinc/75/53/72/360755372.db2.gz UTJAIRJKDSGKPQ-VIFPVBQESA-N 1 2 238.291 -0.520 20 0 BBADLO CCO[C@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628922380 360755885 /nfs/dbraw/zinc/75/58/85/360755885.db2.gz MICJNMYQMJXONG-NXEZZACHSA-N 1 2 230.308 -0.142 20 0 BBADLO CCO[C@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628922380 360755883 /nfs/dbraw/zinc/75/58/83/360755883.db2.gz MICJNMYQMJXONG-NXEZZACHSA-N 1 2 230.308 -0.142 20 0 BBADLO CCO[C@@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628922381 360755623 /nfs/dbraw/zinc/75/56/23/360755623.db2.gz MICJNMYQMJXONG-UWVGGRQHSA-N 1 2 230.308 -0.142 20 0 BBADLO CCO[C@@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628922381 360755619 /nfs/dbraw/zinc/75/56/19/360755619.db2.gz MICJNMYQMJXONG-UWVGGRQHSA-N 1 2 230.308 -0.142 20 0 BBADLO CCO[C@@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628922382 360755869 /nfs/dbraw/zinc/75/58/69/360755869.db2.gz MICJNMYQMJXONG-VHSXEESVSA-N 1 2 230.308 -0.142 20 0 BBADLO CCO[C@@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628922382 360755864 /nfs/dbraw/zinc/75/58/64/360755864.db2.gz MICJNMYQMJXONG-VHSXEESVSA-N 1 2 230.308 -0.142 20 0 BBADLO CCO[C@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628922383 360755217 /nfs/dbraw/zinc/75/52/17/360755217.db2.gz MICJNMYQMJXONG-ZJUUUORDSA-N 1 2 230.308 -0.142 20 0 BBADLO CCO[C@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628922383 360755216 /nfs/dbraw/zinc/75/52/16/360755216.db2.gz MICJNMYQMJXONG-ZJUUUORDSA-N 1 2 230.308 -0.142 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)CCCC(N)=O ZINC000628922539 360755580 /nfs/dbraw/zinc/75/55/80/360755580.db2.gz OCTFOTOOCWEWES-SECBINFHSA-N 1 2 243.307 -0.911 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CCCC(N)=O ZINC000628922539 360755576 /nfs/dbraw/zinc/75/55/76/360755576.db2.gz OCTFOTOOCWEWES-SECBINFHSA-N 1 2 243.307 -0.911 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CCCC(N)=O ZINC000628922540 360755206 /nfs/dbraw/zinc/75/52/06/360755206.db2.gz OCTFOTOOCWEWES-VIFPVBQESA-N 1 2 243.307 -0.911 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CCCC(N)=O ZINC000628922540 360755204 /nfs/dbraw/zinc/75/52/04/360755204.db2.gz OCTFOTOOCWEWES-VIFPVBQESA-N 1 2 243.307 -0.911 20 0 BBADLO Cn1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C)n1 ZINC000628922587 360755254 /nfs/dbraw/zinc/75/52/54/360755254.db2.gz PDKMNTFLFKQROV-SECBINFHSA-N 1 2 238.291 -0.520 20 0 BBADLO Cn1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C)n1 ZINC000628922587 360755251 /nfs/dbraw/zinc/75/52/51/360755251.db2.gz PDKMNTFLFKQROV-SECBINFHSA-N 1 2 238.291 -0.520 20 0 BBADLO Cn1ccc(C(=O)NC[C@H]2COCC[N@H+]2C)n1 ZINC000628922588 360755496 /nfs/dbraw/zinc/75/54/96/360755496.db2.gz PDKMNTFLFKQROV-VIFPVBQESA-N 1 2 238.291 -0.520 20 0 BBADLO Cn1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C)n1 ZINC000628922588 360755492 /nfs/dbraw/zinc/75/54/92/360755492.db2.gz PDKMNTFLFKQROV-VIFPVBQESA-N 1 2 238.291 -0.520 20 0 BBADLO Cc1n[nH]cc1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628923173 360755596 /nfs/dbraw/zinc/75/55/96/360755596.db2.gz SWYUXOIVDWNOBK-SECBINFHSA-N 1 2 238.291 -0.221 20 0 BBADLO Cc1n[nH]cc1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628923173 360755591 /nfs/dbraw/zinc/75/55/91/360755591.db2.gz SWYUXOIVDWNOBK-SECBINFHSA-N 1 2 238.291 -0.221 20 0 BBADLO Cc1n[nH]cc1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628923175 360755419 /nfs/dbraw/zinc/75/54/19/360755419.db2.gz SWYUXOIVDWNOBK-VIFPVBQESA-N 1 2 238.291 -0.221 20 0 BBADLO Cc1n[nH]cc1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628923175 360755415 /nfs/dbraw/zinc/75/54/15/360755415.db2.gz SWYUXOIVDWNOBK-VIFPVBQESA-N 1 2 238.291 -0.221 20 0 BBADLO CC[C@@H](OC)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628923535 360759708 /nfs/dbraw/zinc/75/97/08/360759708.db2.gz VTERVPXRIRHNGD-NXEZZACHSA-N 1 2 230.308 -0.142 20 0 BBADLO CC[C@@H](OC)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628923535 360759705 /nfs/dbraw/zinc/75/97/05/360759705.db2.gz VTERVPXRIRHNGD-NXEZZACHSA-N 1 2 230.308 -0.142 20 0 BBADLO CC[C@H](OC)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628923536 360759305 /nfs/dbraw/zinc/75/93/05/360759305.db2.gz VTERVPXRIRHNGD-UWVGGRQHSA-N 1 2 230.308 -0.142 20 0 BBADLO CC[C@H](OC)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628923536 360759301 /nfs/dbraw/zinc/75/93/01/360759301.db2.gz VTERVPXRIRHNGD-UWVGGRQHSA-N 1 2 230.308 -0.142 20 0 BBADLO CC[C@@H](OC)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628923537 360759213 /nfs/dbraw/zinc/75/92/13/360759213.db2.gz VTERVPXRIRHNGD-VHSXEESVSA-N 1 2 230.308 -0.142 20 0 BBADLO CC[C@@H](OC)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628923537 360759209 /nfs/dbraw/zinc/75/92/09/360759209.db2.gz VTERVPXRIRHNGD-VHSXEESVSA-N 1 2 230.308 -0.142 20 0 BBADLO CC[C@H](OC)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628923538 360759798 /nfs/dbraw/zinc/75/97/98/360759798.db2.gz VTERVPXRIRHNGD-ZJUUUORDSA-N 1 2 230.308 -0.142 20 0 BBADLO CC[C@H](OC)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628923538 360759795 /nfs/dbraw/zinc/75/97/95/360759795.db2.gz VTERVPXRIRHNGD-ZJUUUORDSA-N 1 2 230.308 -0.142 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCOC1 ZINC000628923884 360756553 /nfs/dbraw/zinc/75/65/53/360756553.db2.gz ZAMWXAHFJAPMTK-GHMZBOCLSA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCOC1 ZINC000628923884 360756549 /nfs/dbraw/zinc/75/65/49/360756549.db2.gz ZAMWXAHFJAPMTK-GHMZBOCLSA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCOC1 ZINC000628923885 360757204 /nfs/dbraw/zinc/75/72/04/360757204.db2.gz ZAMWXAHFJAPMTK-MNOVXSKESA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCOC1 ZINC000628923885 360757202 /nfs/dbraw/zinc/75/72/02/360757202.db2.gz ZAMWXAHFJAPMTK-MNOVXSKESA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCOC1 ZINC000628923886 360756765 /nfs/dbraw/zinc/75/67/65/360756765.db2.gz ZAMWXAHFJAPMTK-QWRGUYRKSA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCOC1 ZINC000628923886 360756758 /nfs/dbraw/zinc/75/67/58/360756758.db2.gz ZAMWXAHFJAPMTK-QWRGUYRKSA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCOC1 ZINC000628923887 360756813 /nfs/dbraw/zinc/75/68/13/360756813.db2.gz ZAMWXAHFJAPMTK-WDEREUQCSA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCOC1 ZINC000628923887 360756810 /nfs/dbraw/zinc/75/68/10/360756810.db2.gz ZAMWXAHFJAPMTK-WDEREUQCSA-N 1 2 242.319 -0.140 20 0 BBADLO COCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628925703 360758396 /nfs/dbraw/zinc/75/83/96/360758396.db2.gz KAMXPCCPRDCINS-MRVPVSSYSA-N 1 2 202.254 -0.920 20 0 BBADLO COCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628925703 360758393 /nfs/dbraw/zinc/75/83/93/360758393.db2.gz KAMXPCCPRDCINS-MRVPVSSYSA-N 1 2 202.254 -0.920 20 0 BBADLO COCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628925704 360758417 /nfs/dbraw/zinc/75/84/17/360758417.db2.gz KAMXPCCPRDCINS-QMMMGPOBSA-N 1 2 202.254 -0.920 20 0 BBADLO COCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628925704 360758414 /nfs/dbraw/zinc/75/84/14/360758414.db2.gz KAMXPCCPRDCINS-QMMMGPOBSA-N 1 2 202.254 -0.920 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)C1CCOCC1 ZINC000628926142 360758288 /nfs/dbraw/zinc/75/82/88/360758288.db2.gz PKOWOUWLWVUORR-LLVKDONJSA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1CCOCC1 ZINC000628926142 360758285 /nfs/dbraw/zinc/75/82/85/360758285.db2.gz PKOWOUWLWVUORR-LLVKDONJSA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1CCOCC1 ZINC000628926143 360758108 /nfs/dbraw/zinc/75/81/08/360758108.db2.gz PKOWOUWLWVUORR-NSHDSACASA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1CCOCC1 ZINC000628926143 360758101 /nfs/dbraw/zinc/75/81/01/360758101.db2.gz PKOWOUWLWVUORR-NSHDSACASA-N 1 2 242.319 -0.140 20 0 BBADLO Cn1cc(C(=O)NC[C@H]2COCC[N@H+]2C)cn1 ZINC000628926420 360758323 /nfs/dbraw/zinc/75/83/23/360758323.db2.gz QZVNCTYPMZUTER-JTQLQIEISA-N 1 2 238.291 -0.520 20 0 BBADLO Cn1cc(C(=O)NC[C@H]2COCC[N@@H+]2C)cn1 ZINC000628926420 360758319 /nfs/dbraw/zinc/75/83/19/360758319.db2.gz QZVNCTYPMZUTER-JTQLQIEISA-N 1 2 238.291 -0.520 20 0 BBADLO Cn1cc(C(=O)NC[C@@H]2COCC[N@H+]2C)cn1 ZINC000628926421 360758644 /nfs/dbraw/zinc/75/86/44/360758644.db2.gz QZVNCTYPMZUTER-SNVBAGLBSA-N 1 2 238.291 -0.520 20 0 BBADLO Cn1cc(C(=O)NC[C@@H]2COCC[N@@H+]2C)cn1 ZINC000628926421 360758640 /nfs/dbraw/zinc/75/86/40/360758640.db2.gz QZVNCTYPMZUTER-SNVBAGLBSA-N 1 2 238.291 -0.520 20 0 BBADLO CCOCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628926929 360759355 /nfs/dbraw/zinc/75/93/55/360759355.db2.gz ZIYHHWDIUISCKR-SECBINFHSA-N 1 2 216.281 -0.530 20 0 BBADLO CCOCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628926929 360759351 /nfs/dbraw/zinc/75/93/51/360759351.db2.gz ZIYHHWDIUISCKR-SECBINFHSA-N 1 2 216.281 -0.530 20 0 BBADLO CCOCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628926930 360759539 /nfs/dbraw/zinc/75/95/39/360759539.db2.gz ZIYHHWDIUISCKR-VIFPVBQESA-N 1 2 216.281 -0.530 20 0 BBADLO CCOCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628926930 360759536 /nfs/dbraw/zinc/75/95/36/360759536.db2.gz ZIYHHWDIUISCKR-VIFPVBQESA-N 1 2 216.281 -0.530 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)Cn1cccn1 ZINC000628927281 360759203 /nfs/dbraw/zinc/75/92/03/360759203.db2.gz XPXXPBWOBOZJDB-JTQLQIEISA-N 1 2 238.291 -0.670 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Cn1cccn1 ZINC000628927281 360759199 /nfs/dbraw/zinc/75/91/99/360759199.db2.gz XPXXPBWOBOZJDB-JTQLQIEISA-N 1 2 238.291 -0.670 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)Cn1cccn1 ZINC000628927282 360759598 /nfs/dbraw/zinc/75/95/98/360759598.db2.gz XPXXPBWOBOZJDB-SNVBAGLBSA-N 1 2 238.291 -0.670 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)Cn1cccn1 ZINC000628927282 360759597 /nfs/dbraw/zinc/75/95/97/360759597.db2.gz XPXXPBWOBOZJDB-SNVBAGLBSA-N 1 2 238.291 -0.670 20 0 BBADLO C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C)[NH+](C)C ZINC000628940226 360764709 /nfs/dbraw/zinc/76/47/09/360764709.db2.gz KCRPCWOXCJTTJI-DJLDLDEBSA-N 1 2 248.348 -0.372 20 0 BBADLO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cnns1 ZINC000629175132 360925684 /nfs/dbraw/zinc/92/56/84/360925684.db2.gz JMRPXCKTNITHDS-SSDOTTSWSA-N 1 2 242.304 -0.666 20 0 BBADLO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cnns1 ZINC000629175132 360925680 /nfs/dbraw/zinc/92/56/80/360925680.db2.gz JMRPXCKTNITHDS-SSDOTTSWSA-N 1 2 242.304 -0.666 20 0 BBADLO CN(C(=O)Cn1cc[nH+]c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629209872 360949395 /nfs/dbraw/zinc/94/93/95/360949395.db2.gz CQMKAPRAOMSIDJ-DTORHVGOSA-N 1 2 236.275 -0.395 20 0 BBADLO Cc1[nH]c(C(=O)N[C@@H]2CCOC[C@H]2O)c[nH+]1 ZINC000629233107 360961086 /nfs/dbraw/zinc/96/10/86/360961086.db2.gz PSYCPVNETHKNDD-VXNVDRBHSA-N 1 2 225.248 -0.402 20 0 BBADLO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)c1cnccn1 ZINC000629291823 360989771 /nfs/dbraw/zinc/98/97/71/360989771.db2.gz WTEYSBUXFMMLMA-SECBINFHSA-N 1 2 236.275 -0.230 20 0 BBADLO CN(C(=O)[C@H]1C[N@H+](C)CCO1)c1cnccn1 ZINC000629291823 360989770 /nfs/dbraw/zinc/98/97/70/360989770.db2.gz WTEYSBUXFMMLMA-SECBINFHSA-N 1 2 236.275 -0.230 20 0 BBADLO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)c1cnccn1 ZINC000629291824 360990036 /nfs/dbraw/zinc/99/00/36/360990036.db2.gz WTEYSBUXFMMLMA-VIFPVBQESA-N 1 2 236.275 -0.230 20 0 BBADLO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)c1cnccn1 ZINC000629291824 360990035 /nfs/dbraw/zinc/99/00/35/360990035.db2.gz WTEYSBUXFMMLMA-VIFPVBQESA-N 1 2 236.275 -0.230 20 0 BBADLO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cnns1 ZINC000629483183 361089424 /nfs/dbraw/zinc/08/94/24/361089424.db2.gz JMRPXCKTNITHDS-ZETCQYMHSA-N 1 2 242.304 -0.666 20 0 BBADLO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cnns1 ZINC000629483183 361089419 /nfs/dbraw/zinc/08/94/19/361089419.db2.gz JMRPXCKTNITHDS-ZETCQYMHSA-N 1 2 242.304 -0.666 20 0 BBADLO CCN(CC[NH3+])Cc1cc(=O)n2[nH]ccc2n1 ZINC000629557192 361448182 /nfs/dbraw/zinc/44/81/82/361448182.db2.gz XLDGTSAGTDWNMH-UHFFFAOYSA-N 1 2 235.291 -0.197 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CO2 ZINC000629707631 361638984 /nfs/dbraw/zinc/63/89/84/361638984.db2.gz VPMZGKRQZZXEAJ-DCAQKATOSA-N 1 2 240.303 -0.293 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CO2 ZINC000629707631 361638980 /nfs/dbraw/zinc/63/89/80/361638980.db2.gz VPMZGKRQZZXEAJ-DCAQKATOSA-N 1 2 240.303 -0.293 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CO2 ZINC000629707633 361638829 /nfs/dbraw/zinc/63/88/29/361638829.db2.gz VPMZGKRQZZXEAJ-GARJFASQSA-N 1 2 240.303 -0.293 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CO2 ZINC000629707633 361638827 /nfs/dbraw/zinc/63/88/27/361638827.db2.gz VPMZGKRQZZXEAJ-GARJFASQSA-N 1 2 240.303 -0.293 20 0 BBADLO C[N@@H+](CC(=O)NCc1n[nH]c(=O)[nH]1)C1CCC1 ZINC000629968137 361816194 /nfs/dbraw/zinc/81/61/94/361816194.db2.gz WZHFAVLHCOUXCK-UHFFFAOYSA-N 1 2 239.279 -0.389 20 0 BBADLO C[N@H+](CC(=O)NCc1n[nH]c(=O)[nH]1)C1CCC1 ZINC000629968137 361816189 /nfs/dbraw/zinc/81/61/89/361816189.db2.gz WZHFAVLHCOUXCK-UHFFFAOYSA-N 1 2 239.279 -0.389 20 0 BBADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N=c1nc[nH]n1C ZINC000629972551 361817502 /nfs/dbraw/zinc/81/75/02/361817502.db2.gz RTYLGDCLCRGFBI-SSDOTTSWSA-N 1 2 234.263 -0.223 20 0 BBADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N=c1nc[nH]n1C ZINC000629972551 361817499 /nfs/dbraw/zinc/81/74/99/361817499.db2.gz RTYLGDCLCRGFBI-SSDOTTSWSA-N 1 2 234.263 -0.223 20 0 BBADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N=c1nc[nH]n1C ZINC000629972554 361817453 /nfs/dbraw/zinc/81/74/53/361817453.db2.gz RTYLGDCLCRGFBI-ZETCQYMHSA-N 1 2 234.263 -0.223 20 0 BBADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N=c1nc[nH]n1C ZINC000629972554 361817448 /nfs/dbraw/zinc/81/74/48/361817448.db2.gz RTYLGDCLCRGFBI-ZETCQYMHSA-N 1 2 234.263 -0.223 20 0 BBADLO CC[C@H](C(=O)NC[C@@H]1COCC[N@H+]1C)[C@H](C)O ZINC000630023776 361904162 /nfs/dbraw/zinc/90/41/62/361904162.db2.gz KEHQBOMPKNQHHU-AXFHLTTASA-N 1 2 244.335 -0.160 20 0 BBADLO CC[C@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)[C@H](C)O ZINC000630023776 361904158 /nfs/dbraw/zinc/90/41/58/361904158.db2.gz KEHQBOMPKNQHHU-AXFHLTTASA-N 1 2 244.335 -0.160 20 0 BBADLO CC[C@H](C(=O)NC[C@H]1COCC[N@H+]1C)[C@H](C)O ZINC000630023778 361903965 /nfs/dbraw/zinc/90/39/65/361903965.db2.gz KEHQBOMPKNQHHU-DCAQKATOSA-N 1 2 244.335 -0.160 20 0 BBADLO CC[C@H](C(=O)NC[C@H]1COCC[N@@H+]1C)[C@H](C)O ZINC000630023778 361903963 /nfs/dbraw/zinc/90/39/63/361903963.db2.gz KEHQBOMPKNQHHU-DCAQKATOSA-N 1 2 244.335 -0.160 20 0 BBADLO CC[C@H](C(=O)NC[C@@H]1COCC[N@H+]1C)[C@@H](C)O ZINC000630023779 361903909 /nfs/dbraw/zinc/90/39/09/361903909.db2.gz KEHQBOMPKNQHHU-MXWKQRLJSA-N 1 2 244.335 -0.160 20 0 BBADLO CC[C@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)[C@@H](C)O ZINC000630023779 361903906 /nfs/dbraw/zinc/90/39/06/361903906.db2.gz KEHQBOMPKNQHHU-MXWKQRLJSA-N 1 2 244.335 -0.160 20 0 BBADLO CC[C@H](C(=O)NC[C@H]1COCC[N@H+]1C)[C@@H](C)O ZINC000630023781 361904354 /nfs/dbraw/zinc/90/43/54/361904354.db2.gz KEHQBOMPKNQHHU-VWYCJHECSA-N 1 2 244.335 -0.160 20 0 BBADLO CC[C@H](C(=O)NC[C@H]1COCC[N@@H+]1C)[C@@H](C)O ZINC000630023781 361904350 /nfs/dbraw/zinc/90/43/50/361904350.db2.gz KEHQBOMPKNQHHU-VWYCJHECSA-N 1 2 244.335 -0.160 20 0 BBADLO C[C@@](O)(C[C@H](O)C[N@H+]1CCNC(=O)C1)C1CC1 ZINC000630033750 361908661 /nfs/dbraw/zinc/90/86/61/361908661.db2.gz ICFMUXMIZPEBCI-CMPLNLGQSA-N 1 2 242.319 -0.670 20 0 BBADLO C[C@@](O)(C[C@H](O)C[N@@H+]1CCNC(=O)C1)C1CC1 ZINC000630033750 361908657 /nfs/dbraw/zinc/90/86/57/361908657.db2.gz ICFMUXMIZPEBCI-CMPLNLGQSA-N 1 2 242.319 -0.670 20 0 BBADLO C[C@](O)(C[C@H](O)C[N@H+]1CCNC(=O)C1)C1CC1 ZINC000630033751 361909333 /nfs/dbraw/zinc/90/93/33/361909333.db2.gz ICFMUXMIZPEBCI-JQWIXIFHSA-N 1 2 242.319 -0.670 20 0 BBADLO C[C@](O)(C[C@H](O)C[N@@H+]1CCNC(=O)C1)C1CC1 ZINC000630033751 361909331 /nfs/dbraw/zinc/90/93/31/361909331.db2.gz ICFMUXMIZPEBCI-JQWIXIFHSA-N 1 2 242.319 -0.670 20 0 BBADLO C[C@](O)(C[C@@H](O)C[N@H+]1CCNC(=O)C1)C1CC1 ZINC000630033752 361909256 /nfs/dbraw/zinc/90/92/56/361909256.db2.gz ICFMUXMIZPEBCI-PWSUYJOCSA-N 1 2 242.319 -0.670 20 0 BBADLO C[C@](O)(C[C@@H](O)C[N@@H+]1CCNC(=O)C1)C1CC1 ZINC000630033752 361909252 /nfs/dbraw/zinc/90/92/52/361909252.db2.gz ICFMUXMIZPEBCI-PWSUYJOCSA-N 1 2 242.319 -0.670 20 0 BBADLO C[C@@](O)(C[C@@H](O)C[N@H+]1CCNC(=O)C1)C1CC1 ZINC000630033753 361908837 /nfs/dbraw/zinc/90/88/37/361908837.db2.gz ICFMUXMIZPEBCI-ZYHUDNBSSA-N 1 2 242.319 -0.670 20 0 BBADLO C[C@@](O)(C[C@@H](O)C[N@@H+]1CCNC(=O)C1)C1CC1 ZINC000630033753 361908834 /nfs/dbraw/zinc/90/88/34/361908834.db2.gz ICFMUXMIZPEBCI-ZYHUDNBSSA-N 1 2 242.319 -0.670 20 0 BBADLO O=C(NC1COC1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000630072127 363155138 /nfs/dbraw/zinc/15/51/38/363155138.db2.gz SVWAWJYNAOEUGH-UHFFFAOYSA-N 1 2 245.242 -0.209 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[C@@H](O)C1 ZINC000630087535 363371185 /nfs/dbraw/zinc/37/11/85/363371185.db2.gz CTULDXDKKXVWNX-BBBLOLIVSA-N 1 2 228.292 -0.796 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[C@@H](O)C1 ZINC000630087535 363371179 /nfs/dbraw/zinc/37/11/79/363371179.db2.gz CTULDXDKKXVWNX-BBBLOLIVSA-N 1 2 228.292 -0.796 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@@H](O)C1 ZINC000630087536 363371362 /nfs/dbraw/zinc/37/13/62/363371362.db2.gz CTULDXDKKXVWNX-LPEHRKFASA-N 1 2 228.292 -0.796 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@@H](O)C1 ZINC000630087536 363371359 /nfs/dbraw/zinc/37/13/59/363371359.db2.gz CTULDXDKKXVWNX-LPEHRKFASA-N 1 2 228.292 -0.796 20 0 BBADLO Cc1nc[nH]c1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000630090997 363495754 /nfs/dbraw/zinc/49/57/54/363495754.db2.gz QPLJKEPGGVOKPN-SECBINFHSA-N 1 2 238.291 -0.221 20 0 BBADLO Cc1nc[nH]c1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000630090997 363495750 /nfs/dbraw/zinc/49/57/50/363495750.db2.gz QPLJKEPGGVOKPN-SECBINFHSA-N 1 2 238.291 -0.221 20 0 BBADLO Cc1nc[nH]c1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000630091002 363495876 /nfs/dbraw/zinc/49/58/76/363495876.db2.gz QPLJKEPGGVOKPN-VIFPVBQESA-N 1 2 238.291 -0.221 20 0 BBADLO Cc1nc[nH]c1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000630091002 363495871 /nfs/dbraw/zinc/49/58/71/363495871.db2.gz QPLJKEPGGVOKPN-VIFPVBQESA-N 1 2 238.291 -0.221 20 0 BBADLO CC1(C(N)=O)CN(c2cc(CO)cc[nH+]2)C1 ZINC000630094972 363542864 /nfs/dbraw/zinc/54/28/64/363542864.db2.gz NYUHBIAPQYIDDD-UHFFFAOYSA-N 1 2 221.260 -0.115 20 0 BBADLO C[NH+]1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC000630388261 364104473 /nfs/dbraw/zinc/10/44/73/364104473.db2.gz DYQQNTWQFHACBA-UHFFFAOYSA-N 1 2 209.253 -0.879 20 0 BBADLO C[NH+]1CCN(C(=O)CCc2cnn[nH]2)CC1 ZINC000630389712 364107449 /nfs/dbraw/zinc/10/74/49/364107449.db2.gz ZRYWRVTXVXEDRY-UHFFFAOYSA-N 1 2 223.280 -0.489 20 0 BBADLO C[NH+]1CCN(C(=O)CCc2c[nH]nn2)CC1 ZINC000630389712 364107442 /nfs/dbraw/zinc/10/74/42/364107442.db2.gz ZRYWRVTXVXEDRY-UHFFFAOYSA-N 1 2 223.280 -0.489 20 0 BBADLO C[NH+]1CCN(C(=O)CCc2cn[nH]n2)CC1 ZINC000630389712 364107437 /nfs/dbraw/zinc/10/74/37/364107437.db2.gz ZRYWRVTXVXEDRY-UHFFFAOYSA-N 1 2 223.280 -0.489 20 0 BBADLO CC[NH+]1CCN(C(=O)c2cc(CO)on2)CC1 ZINC000630391529 364110403 /nfs/dbraw/zinc/11/04/03/364110403.db2.gz ADAFMJSSXYFZCB-UHFFFAOYSA-N 1 2 239.275 -0.055 20 0 BBADLO CC[NH+]1CCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC000630392059 364112392 /nfs/dbraw/zinc/11/23/92/364112392.db2.gz JTUPAIJLHWBYCA-UHFFFAOYSA-N 1 2 246.332 -0.805 20 0 BBADLO CC[NH+]1CCN(C(=O)CCc2c[nH]nn2)CC1 ZINC000630392229 364112190 /nfs/dbraw/zinc/11/21/90/364112190.db2.gz LRWBIRGEODTBLX-UHFFFAOYSA-N 1 2 237.307 -0.099 20 0 BBADLO CC[NH+]1CCN(C(=O)CCc2cn[nH]n2)CC1 ZINC000630392229 364112184 /nfs/dbraw/zinc/11/21/84/364112184.db2.gz LRWBIRGEODTBLX-UHFFFAOYSA-N 1 2 237.307 -0.099 20 0 BBADLO CC[NH+]1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC000630392477 364113074 /nfs/dbraw/zinc/11/30/74/364113074.db2.gz VEXQAZIIBHHFNM-UHFFFAOYSA-N 1 2 223.280 -0.489 20 0 BBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(N)=O ZINC000630395803 364120934 /nfs/dbraw/zinc/12/09/34/364120934.db2.gz YFRXTIGEKWELPN-LLVKDONJSA-N 1 2 243.307 -0.730 20 0 BBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(N)=O ZINC000630395803 364120930 /nfs/dbraw/zinc/12/09/30/364120930.db2.gz YFRXTIGEKWELPN-LLVKDONJSA-N 1 2 243.307 -0.730 20 0 BBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(N)=O ZINC000630395804 364120626 /nfs/dbraw/zinc/12/06/26/364120626.db2.gz YFRXTIGEKWELPN-NSHDSACASA-N 1 2 243.307 -0.730 20 0 BBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(N)=O ZINC000630395804 364120622 /nfs/dbraw/zinc/12/06/22/364120622.db2.gz YFRXTIGEKWELPN-NSHDSACASA-N 1 2 243.307 -0.730 20 0 BBADLO COCCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000630395902 364120768 /nfs/dbraw/zinc/12/07/68/364120768.db2.gz BTFGFCAHKLOQKA-SECBINFHSA-N 1 2 231.296 -0.737 20 0 BBADLO COCCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000630395902 364120764 /nfs/dbraw/zinc/12/07/64/364120764.db2.gz BTFGFCAHKLOQKA-SECBINFHSA-N 1 2 231.296 -0.737 20 0 BBADLO COCCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000630395903 364120878 /nfs/dbraw/zinc/12/08/78/364120878.db2.gz BTFGFCAHKLOQKA-VIFPVBQESA-N 1 2 231.296 -0.737 20 0 BBADLO COCCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000630395903 364120874 /nfs/dbraw/zinc/12/08/74/364120874.db2.gz BTFGFCAHKLOQKA-VIFPVBQESA-N 1 2 231.296 -0.737 20 0 BBADLO CC1(NC(=O)NCCn2cc[nH+]c2)COC1 ZINC000630405961 364138180 /nfs/dbraw/zinc/13/81/80/364138180.db2.gz NUSOLUWRWDNBMX-UHFFFAOYSA-N 1 2 224.264 -0.029 20 0 BBADLO CC1(NC(=O)NCC[NH+]2CCOCC2)COC1 ZINC000630406995 364144025 /nfs/dbraw/zinc/14/40/25/364144025.db2.gz ZKKQYGYCPYAMBX-UHFFFAOYSA-N 1 2 243.307 -0.593 20 0 BBADLO CNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000630408209 364140123 /nfs/dbraw/zinc/14/01/23/364140123.db2.gz IZYAQEJEZSRRIY-UHFFFAOYSA-N 1 2 249.318 -0.024 20 0 BBADLO O=C(NCC[NH+]1CCOCC1)N1CC=CC1 ZINC000630408930 364140388 /nfs/dbraw/zinc/14/03/88/364140388.db2.gz WHGCLCUYDGIRAV-UHFFFAOYSA-N 1 2 225.292 -0.100 20 0 BBADLO O=C(NCC[NH+]1CCOCC1)C1CSC1 ZINC000630414883 364150704 /nfs/dbraw/zinc/15/07/04/364150704.db2.gz YUUXDODCGBBKTH-UHFFFAOYSA-N 1 2 230.333 -0.202 20 0 BBADLO C[N@H+]1CCCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC000630434140 364160372 /nfs/dbraw/zinc/16/03/72/364160372.db2.gz IEBCVLMCKFLAGG-UHFFFAOYSA-N 1 2 246.332 -0.805 20 0 BBADLO C[N@@H+]1CCCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC000630434140 364160365 /nfs/dbraw/zinc/16/03/65/364160365.db2.gz IEBCVLMCKFLAGG-UHFFFAOYSA-N 1 2 246.332 -0.805 20 0 BBADLO C[N@@H+](CCO)Cc1cn(C[C@H]2CCCO2)nn1 ZINC000630608727 364333913 /nfs/dbraw/zinc/33/39/13/364333913.db2.gz FENDLXACNWDJMA-LLVKDONJSA-N 1 2 240.307 -0.119 20 0 BBADLO C[N@H+](CCO)Cc1cn(C[C@H]2CCCO2)nn1 ZINC000630608727 364333912 /nfs/dbraw/zinc/33/39/12/364333912.db2.gz FENDLXACNWDJMA-LLVKDONJSA-N 1 2 240.307 -0.119 20 0 BBADLO C[N@@H+](CCO)Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000630608731 364333919 /nfs/dbraw/zinc/33/39/19/364333919.db2.gz FENDLXACNWDJMA-NSHDSACASA-N 1 2 240.307 -0.119 20 0 BBADLO C[N@H+](CCO)Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000630608731 364333918 /nfs/dbraw/zinc/33/39/18/364333918.db2.gz FENDLXACNWDJMA-NSHDSACASA-N 1 2 240.307 -0.119 20 0 BBADLO CC[C@H](O)Cn1cc(C[N@@H+](C)CCO)nn1 ZINC000630619475 364356759 /nfs/dbraw/zinc/35/67/59/364356759.db2.gz PKXJLYPHNOOLBZ-JTQLQIEISA-N 1 2 228.296 -0.527 20 0 BBADLO CC[C@H](O)Cn1cc(C[N@H+](C)CCO)nn1 ZINC000630619475 364356754 /nfs/dbraw/zinc/35/67/54/364356754.db2.gz PKXJLYPHNOOLBZ-JTQLQIEISA-N 1 2 228.296 -0.527 20 0 BBADLO CC[C@@H](O)Cn1cc(C[N@@H+](C)CCO)nn1 ZINC000630619476 364356967 /nfs/dbraw/zinc/35/69/67/364356967.db2.gz PKXJLYPHNOOLBZ-SNVBAGLBSA-N 1 2 228.296 -0.527 20 0 BBADLO CC[C@@H](O)Cn1cc(C[N@H+](C)CCO)nn1 ZINC000630619476 364356962 /nfs/dbraw/zinc/35/69/62/364356962.db2.gz PKXJLYPHNOOLBZ-SNVBAGLBSA-N 1 2 228.296 -0.527 20 0 BBADLO CC(C)[NH+]1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC000630701036 364469856 /nfs/dbraw/zinc/46/98/56/364469856.db2.gz UMGPVAZYDVOMCA-UHFFFAOYSA-N 1 2 237.307 -0.100 20 0 BBADLO O=C(C1CSC1)N1CC[NH+](CCO)CC1 ZINC000630708802 364488183 /nfs/dbraw/zinc/48/81/83/364488183.db2.gz FBUAORGEDNTYTJ-UHFFFAOYSA-N 1 2 230.333 -0.514 20 0 BBADLO Cc1conc1C(=O)N1CC[NH+](CCO)CC1 ZINC000630710862 364486215 /nfs/dbraw/zinc/48/62/15/364486215.db2.gz WJCCMOWMXFWLJX-UHFFFAOYSA-N 1 2 239.275 -0.267 20 0 BBADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CCCNC1=O ZINC000630734686 364524485 /nfs/dbraw/zinc/52/44/85/364524485.db2.gz GLJPQXMMMGQEET-SECBINFHSA-N 1 2 236.275 -0.475 20 0 BBADLO O=C(NCCn1cc[nH+]c1)[C@H]1CCCNC1=O ZINC000630734687 364524572 /nfs/dbraw/zinc/52/45/72/364524572.db2.gz GLJPQXMMMGQEET-VIFPVBQESA-N 1 2 236.275 -0.475 20 0 BBADLO Cn1c(C(=O)NCCn2cc[nH+]c2)c[nH]c1=O ZINC000630734749 364524583 /nfs/dbraw/zinc/52/45/83/364524583.db2.gz IEKGOXQEHCKTAO-UHFFFAOYSA-N 1 2 235.247 -0.248 20 0 BBADLO CC[C@H](NC(C)=O)C(=O)NCCn1cc[nH+]c1 ZINC000630735191 364525967 /nfs/dbraw/zinc/52/59/67/364525967.db2.gz PKMZLUPMCLYWJJ-JTQLQIEISA-N 1 2 238.291 -0.086 20 0 BBADLO CC[C@@H](NC(C)=O)C(=O)NCCn1cc[nH+]c1 ZINC000630735192 364525798 /nfs/dbraw/zinc/52/57/98/364525798.db2.gz PKMZLUPMCLYWJJ-SNVBAGLBSA-N 1 2 238.291 -0.086 20 0 BBADLO O=C(Cc1ncn[nH]1)N1CC[NH+](CC2CC2)CC1 ZINC000630779240 364552946 /nfs/dbraw/zinc/55/29/46/364552946.db2.gz GXPGTADUQRZGOR-UHFFFAOYSA-N 1 2 249.318 -0.099 20 0 BBADLO O=C(Cc1ncn[nH]1)N1CC[NH+](C2CC2)CC1 ZINC000630839793 364589472 /nfs/dbraw/zinc/58/94/72/364589472.db2.gz MAGQZMYMGPNBSB-UHFFFAOYSA-N 1 2 235.291 -0.346 20 0 BBADLO C[C@@H]1C[N@@H+](CCNC(=O)CCCCO)CCO1 ZINC000630878564 364728076 /nfs/dbraw/zinc/72/80/76/364728076.db2.gz AOUXQESCWXAEQD-LLVKDONJSA-N 1 2 244.335 -0.014 20 0 BBADLO C[C@@H]1C[N@H+](CCNC(=O)CCCCO)CCO1 ZINC000630878564 364728070 /nfs/dbraw/zinc/72/80/70/364728070.db2.gz AOUXQESCWXAEQD-LLVKDONJSA-N 1 2 244.335 -0.014 20 0 BBADLO C[C@H]1C[N@@H+](CCNC(=O)CCCCO)CCO1 ZINC000630878566 364728126 /nfs/dbraw/zinc/72/81/26/364728126.db2.gz AOUXQESCWXAEQD-NSHDSACASA-N 1 2 244.335 -0.014 20 0 BBADLO C[C@H]1C[N@H+](CCNC(=O)CCCCO)CCO1 ZINC000630878566 364728120 /nfs/dbraw/zinc/72/81/20/364728120.db2.gz AOUXQESCWXAEQD-NSHDSACASA-N 1 2 244.335 -0.014 20 0 BBADLO CN(CC[NH+]1CCOCC1)C(=O)CCCCO ZINC000630898597 367553687 /nfs/dbraw/zinc/55/36/87/367553687.db2.gz XPPQHQSYMNJBEW-UHFFFAOYSA-N 1 2 244.335 -0.060 20 0 BBADLO CCC[NH+]1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC000630918042 367939180 /nfs/dbraw/zinc/93/91/80/367939180.db2.gz ANQIUFBQRRZIEU-UHFFFAOYSA-N 1 2 237.307 -0.099 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)CCCCO ZINC000630929276 367983479 /nfs/dbraw/zinc/98/34/79/367983479.db2.gz ZNDBVFUUGDYVCP-LLVKDONJSA-N 1 2 244.335 -0.014 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CCCCO ZINC000630929276 367983477 /nfs/dbraw/zinc/98/34/77/367983477.db2.gz ZNDBVFUUGDYVCP-LLVKDONJSA-N 1 2 244.335 -0.014 20 0 BBADLO C[C@H]1COCC[N@H+]1CCNC(=O)CCCCO ZINC000630929279 367983140 /nfs/dbraw/zinc/98/31/40/367983140.db2.gz ZNDBVFUUGDYVCP-NSHDSACASA-N 1 2 244.335 -0.014 20 0 BBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)CCCCO ZINC000630929279 367983135 /nfs/dbraw/zinc/98/31/35/367983135.db2.gz ZNDBVFUUGDYVCP-NSHDSACASA-N 1 2 244.335 -0.014 20 0 BBADLO C[N@H+]1CCC[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC000630938296 368002222 /nfs/dbraw/zinc/00/22/22/368002222.db2.gz RJARMXDILOGUFI-SECBINFHSA-N 1 2 246.332 -0.759 20 0 BBADLO C[N@@H+]1CCC[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC000630938296 368002218 /nfs/dbraw/zinc/00/22/18/368002218.db2.gz RJARMXDILOGUFI-SECBINFHSA-N 1 2 246.332 -0.759 20 0 BBADLO C[N@H+]1CCC[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC000630938301 368001194 /nfs/dbraw/zinc/00/11/94/368001194.db2.gz RJARMXDILOGUFI-VIFPVBQESA-N 1 2 246.332 -0.759 20 0 BBADLO C[N@@H+]1CCC[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC000630938301 368001189 /nfs/dbraw/zinc/00/11/89/368001189.db2.gz RJARMXDILOGUFI-VIFPVBQESA-N 1 2 246.332 -0.759 20 0 BBADLO Cc1nc(N)nc(N2CCC[C@@H](CO)C2)[nH+]1 ZINC000631033506 411963943 /nfs/dbraw/zinc/96/39/43/411963943.db2.gz ASEYZFSGISREDQ-MRVPVSSYSA-N 1 2 223.280 -0.029 20 0 BBADLO Cc1nc(N2CCC[C@@H](CO)C2)nc(N)[nH+]1 ZINC000631033506 411963939 /nfs/dbraw/zinc/96/39/39/411963939.db2.gz ASEYZFSGISREDQ-MRVPVSSYSA-N 1 2 223.280 -0.029 20 0 BBADLO Cc1nc(N)nc(N2CCC[C@H](CO)C2)[nH+]1 ZINC000631033507 411964843 /nfs/dbraw/zinc/96/48/43/411964843.db2.gz ASEYZFSGISREDQ-QMMMGPOBSA-N 1 2 223.280 -0.029 20 0 BBADLO Cc1nc(N2CCC[C@H](CO)C2)nc(N)[nH+]1 ZINC000631033507 411964840 /nfs/dbraw/zinc/96/48/40/411964840.db2.gz ASEYZFSGISREDQ-QMMMGPOBSA-N 1 2 223.280 -0.029 20 0 BBADLO Cc1nc(N)nc(N2CCC[C@@H](O)C2)[nH+]1 ZINC000631033713 411962900 /nfs/dbraw/zinc/96/29/00/411962900.db2.gz FXSMDISUIYOWKZ-SSDOTTSWSA-N 1 2 209.253 -0.277 20 0 BBADLO Cc1nc(N2CCC[C@@H](O)C2)nc(N)[nH+]1 ZINC000631033713 411962895 /nfs/dbraw/zinc/96/28/95/411962895.db2.gz FXSMDISUIYOWKZ-SSDOTTSWSA-N 1 2 209.253 -0.277 20 0 BBADLO Cc1nc(N)nc(N2CCC[C@H](O)C2)[nH+]1 ZINC000631033714 411962527 /nfs/dbraw/zinc/96/25/27/411962527.db2.gz FXSMDISUIYOWKZ-ZETCQYMHSA-N 1 2 209.253 -0.277 20 0 BBADLO Cc1nc(N2CCC[C@H](O)C2)nc(N)[nH+]1 ZINC000631033714 411962521 /nfs/dbraw/zinc/96/25/21/411962521.db2.gz FXSMDISUIYOWKZ-ZETCQYMHSA-N 1 2 209.253 -0.277 20 0 BBADLO Cc1nc(N)nc(N(C)CC(=O)N(C)C)[nH+]1 ZINC000631038145 411940614 /nfs/dbraw/zinc/94/06/14/411940614.db2.gz PXTLYXHGHQMYRR-UHFFFAOYSA-N 1 2 224.268 -0.713 20 0 BBADLO Cc1nc(N(C)CC(=O)N(C)C)nc(N)[nH+]1 ZINC000631038145 411940610 /nfs/dbraw/zinc/94/06/10/411940610.db2.gz PXTLYXHGHQMYRR-UHFFFAOYSA-N 1 2 224.268 -0.713 20 0 BBADLO CCNC(=O)CN(CC)c1nc(N)nc(C)[nH+]1 ZINC000631039330 411860068 /nfs/dbraw/zinc/86/00/68/411860068.db2.gz FRMNZASBWQJDPU-UHFFFAOYSA-N 1 2 238.295 -0.275 20 0 BBADLO CCNC(=O)CN(CC)c1nc(C)[nH+]c(N)n1 ZINC000631039330 411860064 /nfs/dbraw/zinc/86/00/64/411860064.db2.gz FRMNZASBWQJDPU-UHFFFAOYSA-N 1 2 238.295 -0.275 20 0 BBADLO Cc1nc(N)nc(N(C)CC(=O)NC2CC2)[nH+]1 ZINC000631039985 411936793 /nfs/dbraw/zinc/93/67/93/411936793.db2.gz AGCJFBQMVIQMAG-UHFFFAOYSA-N 1 2 236.279 -0.523 20 0 BBADLO Cc1nc(N(C)CC(=O)NC2CC2)nc(N)[nH+]1 ZINC000631039985 411936790 /nfs/dbraw/zinc/93/67/90/411936790.db2.gz AGCJFBQMVIQMAG-UHFFFAOYSA-N 1 2 236.279 -0.523 20 0 BBADLO Cc1nc(N)nc(N(C)CC(=O)NC(C)C)[nH+]1 ZINC000631040407 411939875 /nfs/dbraw/zinc/93/98/75/411939875.db2.gz DZHFWNQBHZGCFB-UHFFFAOYSA-N 1 2 238.295 -0.277 20 0 BBADLO Cc1nc(N(C)CC(=O)NC(C)C)nc(N)[nH+]1 ZINC000631040407 411939871 /nfs/dbraw/zinc/93/98/71/411939871.db2.gz DZHFWNQBHZGCFB-UHFFFAOYSA-N 1 2 238.295 -0.277 20 0 BBADLO CCNC(=O)CN(C)c1nc(N)nc(C)[nH+]1 ZINC000631065608 411860647 /nfs/dbraw/zinc/86/06/47/411860647.db2.gz NMFCOJURKYBZJT-UHFFFAOYSA-N 1 2 224.268 -0.665 20 0 BBADLO CCNC(=O)CN(C)c1nc(C)[nH+]c(N)n1 ZINC000631065608 411860641 /nfs/dbraw/zinc/86/06/41/411860641.db2.gz NMFCOJURKYBZJT-UHFFFAOYSA-N 1 2 224.268 -0.665 20 0 BBADLO CNC(=O)CCN(C)c1nc(N)nc(C)[nH+]1 ZINC000631097356 411898791 /nfs/dbraw/zinc/89/87/91/411898791.db2.gz VIADAPOKKXNYNZ-UHFFFAOYSA-N 1 2 224.268 -0.665 20 0 BBADLO CNC(=O)CCN(C)c1nc(C)[nH+]c(N)n1 ZINC000631097356 411898787 /nfs/dbraw/zinc/89/87/87/411898787.db2.gz VIADAPOKKXNYNZ-UHFFFAOYSA-N 1 2 224.268 -0.665 20 0 BBADLO Cc1nc(N)nc(NCCCc2cnn(C)c2)[nH+]1 ZINC000631098888 411945457 /nfs/dbraw/zinc/94/54/57/411945457.db2.gz VQMITJXFRDMUFK-UHFFFAOYSA-N 1 2 247.306 -0.038 20 0 BBADLO Cc1nc(NCCCc2cnn(C)c2)nc(N)[nH+]1 ZINC000631098888 411945454 /nfs/dbraw/zinc/94/54/54/411945454.db2.gz VQMITJXFRDMUFK-UHFFFAOYSA-N 1 2 247.306 -0.038 20 0 BBADLO Cc1nc(N)nc(NCC2(C)COC2)[nH+]1 ZINC000631116799 411939265 /nfs/dbraw/zinc/93/92/65/411939265.db2.gz GJEICFYNICGEPH-UHFFFAOYSA-N 1 2 209.253 -0.367 20 0 BBADLO Cc1nc(NCC2(C)COC2)nc(N)[nH+]1 ZINC000631116799 411939260 /nfs/dbraw/zinc/93/92/60/411939260.db2.gz GJEICFYNICGEPH-UHFFFAOYSA-N 1 2 209.253 -0.367 20 0 BBADLO Cc1nc(N)nc(NCCn2ccccc2=O)[nH+]1 ZINC000631118467 411273454 /nfs/dbraw/zinc/27/34/54/411273454.db2.gz ZSUSMZJYGUURSQ-UHFFFAOYSA-N 1 2 246.274 -0.542 20 0 BBADLO Cc1nc(NCCn2ccccc2=O)nc(N)[nH+]1 ZINC000631118467 411273450 /nfs/dbraw/zinc/27/34/50/411273450.db2.gz ZSUSMZJYGUURSQ-UHFFFAOYSA-N 1 2 246.274 -0.542 20 0 BBADLO Cc1nc(N)nc(N(C)CC(C)(C)O)[nH+]1 ZINC000631119739 411937794 /nfs/dbraw/zinc/93/77/94/411937794.db2.gz PSQGZEKYPMBVTB-UHFFFAOYSA-N 1 2 211.269 -0.031 20 0 BBADLO Cc1nc(N(C)CC(C)(C)O)nc(N)[nH+]1 ZINC000631119739 411937789 /nfs/dbraw/zinc/93/77/89/411937789.db2.gz PSQGZEKYPMBVTB-UHFFFAOYSA-N 1 2 211.269 -0.031 20 0 BBADLO Cc1nc(N)nc(N(C)[C@@H]2CCN(C)C2=O)[nH+]1 ZINC000631123966 411942483 /nfs/dbraw/zinc/94/24/83/411942483.db2.gz DFFDDKLPAMTTBJ-SSDOTTSWSA-N 1 2 236.279 -0.571 20 0 BBADLO Cc1nc(N(C)[C@@H]2CCN(C)C2=O)nc(N)[nH+]1 ZINC000631123966 411942479 /nfs/dbraw/zinc/94/24/79/411942479.db2.gz DFFDDKLPAMTTBJ-SSDOTTSWSA-N 1 2 236.279 -0.571 20 0 BBADLO Cc1nc(N)nc(N(C)[C@H]2CCN(C)C2=O)[nH+]1 ZINC000631123973 411319778 /nfs/dbraw/zinc/31/97/78/411319778.db2.gz DFFDDKLPAMTTBJ-ZETCQYMHSA-N 1 2 236.279 -0.571 20 0 BBADLO Cc1nc(N(C)[C@H]2CCN(C)C2=O)nc(N)[nH+]1 ZINC000631123973 411319774 /nfs/dbraw/zinc/31/97/74/411319774.db2.gz DFFDDKLPAMTTBJ-ZETCQYMHSA-N 1 2 236.279 -0.571 20 0 BBADLO CCCN(CC(=O)NC)c1nc(N)nc(C)[nH+]1 ZINC000631125563 411260247 /nfs/dbraw/zinc/26/02/47/411260247.db2.gz DEOGTTSEBBQERJ-UHFFFAOYSA-N 1 2 238.295 -0.275 20 0 BBADLO CCCN(CC(=O)NC)c1nc(C)[nH+]c(N)n1 ZINC000631125563 411260246 /nfs/dbraw/zinc/26/02/46/411260246.db2.gz DEOGTTSEBBQERJ-UHFFFAOYSA-N 1 2 238.295 -0.275 20 0 BBADLO CCCN(CCO)c1nc(N)nc(C)[nH+]1 ZINC000631126250 411909156 /nfs/dbraw/zinc/90/91/56/411909156.db2.gz QTHQNWAEIITVNH-UHFFFAOYSA-N 1 2 211.269 -0.029 20 0 BBADLO CCCN(CCO)c1nc(C)[nH+]c(N)n1 ZINC000631126250 411909153 /nfs/dbraw/zinc/90/91/53/411909153.db2.gz QTHQNWAEIITVNH-UHFFFAOYSA-N 1 2 211.269 -0.029 20 0 BBADLO COC[C@H]1CN(c2nc(N)nc(C)[nH+]2)CCO1 ZINC000631130067 411869475 /nfs/dbraw/zinc/86/94/75/411869475.db2.gz UDXLVTJVHSEYKG-MRVPVSSYSA-N 1 2 239.279 -0.386 20 0 BBADLO COC[C@H]1CN(c2nc(C)[nH+]c(N)n2)CCO1 ZINC000631130067 411869472 /nfs/dbraw/zinc/86/94/72/411869472.db2.gz UDXLVTJVHSEYKG-MRVPVSSYSA-N 1 2 239.279 -0.386 20 0 BBADLO COC[C@@H]1CN(c2nc(N)nc(C)[nH+]2)CCO1 ZINC000631130072 411865564 /nfs/dbraw/zinc/86/55/64/411865564.db2.gz UDXLVTJVHSEYKG-QMMMGPOBSA-N 1 2 239.279 -0.386 20 0 BBADLO COC[C@@H]1CN(c2nc(C)[nH+]c(N)n2)CCO1 ZINC000631130072 411865562 /nfs/dbraw/zinc/86/55/62/411865562.db2.gz UDXLVTJVHSEYKG-QMMMGPOBSA-N 1 2 239.279 -0.386 20 0 BBADLO COCCOC[C@@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000631131149 411863968 /nfs/dbraw/zinc/86/39/68/411863968.db2.gz SMUVQZVUFMEUGV-SSDOTTSWSA-N 1 2 241.295 -0.352 20 0 BBADLO COCCOC[C@@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000631131149 411863962 /nfs/dbraw/zinc/86/39/62/411863962.db2.gz SMUVQZVUFMEUGV-SSDOTTSWSA-N 1 2 241.295 -0.352 20 0 BBADLO COCCOC[C@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000631131151 411863804 /nfs/dbraw/zinc/86/38/04/411863804.db2.gz SMUVQZVUFMEUGV-ZETCQYMHSA-N 1 2 241.295 -0.352 20 0 BBADLO COCCOC[C@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000631131151 411863802 /nfs/dbraw/zinc/86/38/02/411863802.db2.gz SMUVQZVUFMEUGV-ZETCQYMHSA-N 1 2 241.295 -0.352 20 0 BBADLO Cc1nc(N)nc(N(C)CC[C@H](C)O)[nH+]1 ZINC000631131313 411941800 /nfs/dbraw/zinc/94/18/00/411941800.db2.gz VTFRPIDPZKACJF-LURJTMIESA-N 1 2 211.269 -0.031 20 0 BBADLO Cc1nc(N(C)CC[C@H](C)O)nc(N)[nH+]1 ZINC000631131313 411941796 /nfs/dbraw/zinc/94/17/96/411941796.db2.gz VTFRPIDPZKACJF-LURJTMIESA-N 1 2 211.269 -0.031 20 0 BBADLO Cc1nc(N)nc(N(C)CC[C@@H](C)O)[nH+]1 ZINC000631131314 411941858 /nfs/dbraw/zinc/94/18/58/411941858.db2.gz VTFRPIDPZKACJF-ZCFIWIBFSA-N 1 2 211.269 -0.031 20 0 BBADLO Cc1nc(N(C)CC[C@@H](C)O)nc(N)[nH+]1 ZINC000631131314 411941853 /nfs/dbraw/zinc/94/18/53/411941853.db2.gz VTFRPIDPZKACJF-ZCFIWIBFSA-N 1 2 211.269 -0.031 20 0 BBADLO Cc1nc(N)nc(N(CCO)CC2CC2)[nH+]1 ZINC000631132247 411944263 /nfs/dbraw/zinc/94/42/63/411944263.db2.gz FAORPOYDWBDFFH-UHFFFAOYSA-N 1 2 223.280 -0.029 20 0 BBADLO Cc1nc(N(CCO)CC2CC2)nc(N)[nH+]1 ZINC000631132247 411944260 /nfs/dbraw/zinc/94/42/60/411944260.db2.gz FAORPOYDWBDFFH-UHFFFAOYSA-N 1 2 223.280 -0.029 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)C1CS(=O)(=O)C1 ZINC000631139608 343626881 /nfs/dbraw/zinc/62/68/81/343626881.db2.gz HCBANQMYROBMQJ-UHFFFAOYSA-N 1 2 240.284 -0.205 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)CCc1nn[nH]n1 ZINC000631140911 372207010 /nfs/dbraw/zinc/20/70/10/372207010.db2.gz RPTCHPDIZUYWDI-UHFFFAOYSA-N 1 2 232.247 -0.104 20 0 BBADLO Cc1nc(N)nc(NC[C@]2(O)CCSC2)[nH+]1 ZINC000631142744 411943632 /nfs/dbraw/zinc/94/36/32/411943632.db2.gz KLXSILXCSOOOOU-SECBINFHSA-N 1 2 241.320 -0.536 20 0 BBADLO Cc1nc(NC[C@]2(O)CCSC2)nc(N)[nH+]1 ZINC000631142744 411943628 /nfs/dbraw/zinc/94/36/28/411943628.db2.gz KLXSILXCSOOOOU-SECBINFHSA-N 1 2 241.320 -0.536 20 0 BBADLO Cc1nc(N)nc(NC[C@@]2(O)CCSC2)[nH+]1 ZINC000631142747 411943509 /nfs/dbraw/zinc/94/35/09/411943509.db2.gz KLXSILXCSOOOOU-VIFPVBQESA-N 1 2 241.320 -0.536 20 0 BBADLO Cc1nc(NC[C@@]2(O)CCSC2)nc(N)[nH+]1 ZINC000631142747 411943503 /nfs/dbraw/zinc/94/35/03/411943503.db2.gz KLXSILXCSOOOOU-VIFPVBQESA-N 1 2 241.320 -0.536 20 0 BBADLO Cc1nc(N)nc(N2CCN(C3CC3)C(=O)C2)[nH+]1 ZINC000631145754 411964281 /nfs/dbraw/zinc/96/42/81/411964281.db2.gz FZRYRHDTAGTPOP-UHFFFAOYSA-N 1 2 248.290 -0.427 20 0 BBADLO Cc1nc(N2CCN(C3CC3)C(=O)C2)nc(N)[nH+]1 ZINC000631145754 411964277 /nfs/dbraw/zinc/96/42/77/411964277.db2.gz FZRYRHDTAGTPOP-UHFFFAOYSA-N 1 2 248.290 -0.427 20 0 BBADLO CNC(=O)[C@@H](C)CN(C)c1nc(N)nc(C)[nH+]1 ZINC000631146583 411898204 /nfs/dbraw/zinc/89/82/04/411898204.db2.gz XDHGEULFXZDXLB-LURJTMIESA-N 1 2 238.295 -0.419 20 0 BBADLO CNC(=O)[C@@H](C)CN(C)c1nc(C)[nH+]c(N)n1 ZINC000631146583 411898203 /nfs/dbraw/zinc/89/82/03/411898203.db2.gz XDHGEULFXZDXLB-LURJTMIESA-N 1 2 238.295 -0.419 20 0 BBADLO CNC(=O)[C@H](C)CN(C)c1nc(N)nc(C)[nH+]1 ZINC000631146589 411898561 /nfs/dbraw/zinc/89/85/61/411898561.db2.gz XDHGEULFXZDXLB-ZCFIWIBFSA-N 1 2 238.295 -0.419 20 0 BBADLO CNC(=O)[C@H](C)CN(C)c1nc(C)[nH+]c(N)n1 ZINC000631146589 411898558 /nfs/dbraw/zinc/89/85/58/411898558.db2.gz XDHGEULFXZDXLB-ZCFIWIBFSA-N 1 2 238.295 -0.419 20 0 BBADLO Cc1nc(N)nc(N2CC[C@@](C)(O)C2)[nH+]1 ZINC000631147818 411963783 /nfs/dbraw/zinc/96/37/83/411963783.db2.gz TWJSLSYXVSKXNO-SECBINFHSA-N 1 2 209.253 -0.277 20 0 BBADLO Cc1nc(N2CC[C@@](C)(O)C2)nc(N)[nH+]1 ZINC000631147818 411963779 /nfs/dbraw/zinc/96/37/79/411963779.db2.gz TWJSLSYXVSKXNO-SECBINFHSA-N 1 2 209.253 -0.277 20 0 BBADLO Cc1nc(N)nc(N2CC[C@](C)(O)C2)[nH+]1 ZINC000631147820 411965599 /nfs/dbraw/zinc/96/55/99/411965599.db2.gz TWJSLSYXVSKXNO-VIFPVBQESA-N 1 2 209.253 -0.277 20 0 BBADLO Cc1nc(N2CC[C@](C)(O)C2)nc(N)[nH+]1 ZINC000631147820 411965594 /nfs/dbraw/zinc/96/55/94/411965594.db2.gz TWJSLSYXVSKXNO-VIFPVBQESA-N 1 2 209.253 -0.277 20 0 BBADLO Cc1nc(N)nc(N[C@@H]2CCCN(C)C2=O)[nH+]1 ZINC000631147844 487719956 /nfs/dbraw/zinc/71/99/56/487719956.db2.gz UCCPXQJJYLBJCF-SSDOTTSWSA-N 1 2 236.279 -0.205 20 0 BBADLO Cc1nc(N[C@@H]2CCCN(C)C2=O)nc(N)[nH+]1 ZINC000631147844 487719955 /nfs/dbraw/zinc/71/99/55/487719955.db2.gz UCCPXQJJYLBJCF-SSDOTTSWSA-N 1 2 236.279 -0.205 20 0 BBADLO Cc1nc(N)nc(N[C@H]2CCCN(C)C2=O)[nH+]1 ZINC000631147848 411969339 /nfs/dbraw/zinc/96/93/39/411969339.db2.gz UCCPXQJJYLBJCF-ZETCQYMHSA-N 1 2 236.279 -0.205 20 0 BBADLO Cc1nc(N[C@H]2CCCN(C)C2=O)nc(N)[nH+]1 ZINC000631147848 411969333 /nfs/dbraw/zinc/96/93/33/411969333.db2.gz UCCPXQJJYLBJCF-ZETCQYMHSA-N 1 2 236.279 -0.205 20 0 BBADLO Cc1nc(N)nc(N[C@@H]2CC(=O)N(C3CC3)C2)[nH+]1 ZINC000631148910 487719850 /nfs/dbraw/zinc/71/98/50/487719850.db2.gz XDSASPCZBHFWQI-SSDOTTSWSA-N 1 2 248.290 -0.063 20 0 BBADLO Cc1nc(N[C@@H]2CC(=O)N(C3CC3)C2)nc(N)[nH+]1 ZINC000631148910 487719848 /nfs/dbraw/zinc/71/98/48/487719848.db2.gz XDSASPCZBHFWQI-SSDOTTSWSA-N 1 2 248.290 -0.063 20 0 BBADLO Cc1nc(N)nc(N[C@H]2CC(=O)N(C3CC3)C2)[nH+]1 ZINC000631148915 411967665 /nfs/dbraw/zinc/96/76/65/411967665.db2.gz XDSASPCZBHFWQI-ZETCQYMHSA-N 1 2 248.290 -0.063 20 0 BBADLO Cc1nc(N[C@H]2CC(=O)N(C3CC3)C2)nc(N)[nH+]1 ZINC000631148915 411967657 /nfs/dbraw/zinc/96/76/57/411967657.db2.gz XDSASPCZBHFWQI-ZETCQYMHSA-N 1 2 248.290 -0.063 20 0 BBADLO Cc1nc(N)nc(N(C)C[C@@H](O)C2CC2)[nH+]1 ZINC000631153776 411941431 /nfs/dbraw/zinc/94/14/31/411941431.db2.gz IYZHAKRMVOZXQQ-MRVPVSSYSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1nc(N(C)C[C@@H](O)C2CC2)nc(N)[nH+]1 ZINC000631153776 411941425 /nfs/dbraw/zinc/94/14/25/411941425.db2.gz IYZHAKRMVOZXQQ-MRVPVSSYSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1nc(N)nc(N(C)C[C@H](O)C2CC2)[nH+]1 ZINC000631153777 411945392 /nfs/dbraw/zinc/94/53/92/411945392.db2.gz IYZHAKRMVOZXQQ-QMMMGPOBSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1nc(N(C)C[C@H](O)C2CC2)nc(N)[nH+]1 ZINC000631153777 411945390 /nfs/dbraw/zinc/94/53/90/411945390.db2.gz IYZHAKRMVOZXQQ-QMMMGPOBSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1nc(N)nc(N2C[C@H](CO)OC[C@H]2C)[nH+]1 ZINC000631169264 411284839 /nfs/dbraw/zinc/28/48/39/411284839.db2.gz VFWNPNUVGBPVBV-HTRCEHHLSA-N 1 2 239.279 -0.652 20 0 BBADLO Cc1nc(N2C[C@H](CO)OC[C@H]2C)nc(N)[nH+]1 ZINC000631169264 411284838 /nfs/dbraw/zinc/28/48/38/411284838.db2.gz VFWNPNUVGBPVBV-HTRCEHHLSA-N 1 2 239.279 -0.652 20 0 BBADLO Cc1nc(N)nc(N2C[C@H](CO)OC[C@@H]2C)[nH+]1 ZINC000631169265 411286010 /nfs/dbraw/zinc/28/60/10/411286010.db2.gz VFWNPNUVGBPVBV-POYBYMJQSA-N 1 2 239.279 -0.652 20 0 BBADLO Cc1nc(N2C[C@H](CO)OC[C@@H]2C)nc(N)[nH+]1 ZINC000631169265 411286008 /nfs/dbraw/zinc/28/60/08/411286008.db2.gz VFWNPNUVGBPVBV-POYBYMJQSA-N 1 2 239.279 -0.652 20 0 BBADLO Cc1nc(N)nc(N2C[C@@H](CO)OC[C@H]2C)[nH+]1 ZINC000631169266 411965820 /nfs/dbraw/zinc/96/58/20/411965820.db2.gz VFWNPNUVGBPVBV-SVRRBLITSA-N 1 2 239.279 -0.652 20 0 BBADLO Cc1nc(N2C[C@@H](CO)OC[C@H]2C)nc(N)[nH+]1 ZINC000631169266 411965814 /nfs/dbraw/zinc/96/58/14/411965814.db2.gz VFWNPNUVGBPVBV-SVRRBLITSA-N 1 2 239.279 -0.652 20 0 BBADLO Cc1nc(N)nc(N2C[C@@H](CO)OC[C@@H]2C)[nH+]1 ZINC000631169267 411966199 /nfs/dbraw/zinc/96/61/99/411966199.db2.gz VFWNPNUVGBPVBV-XPUUQOCRSA-N 1 2 239.279 -0.652 20 0 BBADLO Cc1nc(N2C[C@@H](CO)OC[C@@H]2C)nc(N)[nH+]1 ZINC000631169267 411966194 /nfs/dbraw/zinc/96/61/94/411966194.db2.gz VFWNPNUVGBPVBV-XPUUQOCRSA-N 1 2 239.279 -0.652 20 0 BBADLO Cc1nc(N)nc(N(C)[C@H]2CCNC2=O)[nH+]1 ZINC000631186989 411944251 /nfs/dbraw/zinc/94/42/51/411944251.db2.gz QVUXKBVSKZXPEN-LURJTMIESA-N 1 2 222.252 -0.913 20 0 BBADLO Cc1nc(N(C)[C@H]2CCNC2=O)nc(N)[nH+]1 ZINC000631186989 411944248 /nfs/dbraw/zinc/94/42/48/411944248.db2.gz QVUXKBVSKZXPEN-LURJTMIESA-N 1 2 222.252 -0.913 20 0 BBADLO Cc1nc(N)nc(N(C)[C@@H]2CCNC2=O)[nH+]1 ZINC000631186991 411944941 /nfs/dbraw/zinc/94/49/41/411944941.db2.gz QVUXKBVSKZXPEN-ZCFIWIBFSA-N 1 2 222.252 -0.913 20 0 BBADLO Cc1nc(N(C)[C@@H]2CCNC2=O)nc(N)[nH+]1 ZINC000631186991 411944935 /nfs/dbraw/zinc/94/49/35/411944935.db2.gz QVUXKBVSKZXPEN-ZCFIWIBFSA-N 1 2 222.252 -0.913 20 0 BBADLO CC[C@@H]1CN(c2nc(N)nc(C)[nH+]2)C[C@H]1O ZINC000631187206 411874469 /nfs/dbraw/zinc/87/44/69/411874469.db2.gz WDPYECCWZPRPAA-HTQZYQBOSA-N 1 2 223.280 -0.031 20 0 BBADLO CC[C@@H]1CN(c2nc(C)[nH+]c(N)n2)C[C@H]1O ZINC000631187206 411874467 /nfs/dbraw/zinc/87/44/67/411874467.db2.gz WDPYECCWZPRPAA-HTQZYQBOSA-N 1 2 223.280 -0.031 20 0 BBADLO CC[C@H]1CN(c2nc(N)nc(C)[nH+]2)C[C@H]1O ZINC000631187207 411246627 /nfs/dbraw/zinc/24/66/27/411246627.db2.gz WDPYECCWZPRPAA-JGVFFNPUSA-N 1 2 223.280 -0.031 20 0 BBADLO CC[C@H]1CN(c2nc(C)[nH+]c(N)n2)C[C@H]1O ZINC000631187207 411246623 /nfs/dbraw/zinc/24/66/23/411246623.db2.gz WDPYECCWZPRPAA-JGVFFNPUSA-N 1 2 223.280 -0.031 20 0 BBADLO CC[C@@H]1CN(c2nc(N)nc(C)[nH+]2)C[C@@H]1O ZINC000631187208 411883137 /nfs/dbraw/zinc/88/31/37/411883137.db2.gz WDPYECCWZPRPAA-SFYZADRCSA-N 1 2 223.280 -0.031 20 0 BBADLO CC[C@@H]1CN(c2nc(C)[nH+]c(N)n2)C[C@@H]1O ZINC000631187208 411883133 /nfs/dbraw/zinc/88/31/33/411883133.db2.gz WDPYECCWZPRPAA-SFYZADRCSA-N 1 2 223.280 -0.031 20 0 BBADLO CC[C@H]1CN(c2nc(N)nc(C)[nH+]2)C[C@@H]1O ZINC000631187209 411247018 /nfs/dbraw/zinc/24/70/18/411247018.db2.gz WDPYECCWZPRPAA-YUMQZZPRSA-N 1 2 223.280 -0.031 20 0 BBADLO CC[C@H]1CN(c2nc(C)[nH+]c(N)n2)C[C@@H]1O ZINC000631187209 411247015 /nfs/dbraw/zinc/24/70/15/411247015.db2.gz WDPYECCWZPRPAA-YUMQZZPRSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1nc(N)nc(N2C[C@H](C)[C@H](O)C2)[nH+]1 ZINC000631188105 411284504 /nfs/dbraw/zinc/28/45/04/411284504.db2.gz HXFUQRHFBRSKQC-CAHLUQPWSA-N 1 2 209.253 -0.421 20 0 BBADLO Cc1nc(N2C[C@H](C)[C@H](O)C2)nc(N)[nH+]1 ZINC000631188105 411284501 /nfs/dbraw/zinc/28/45/01/411284501.db2.gz HXFUQRHFBRSKQC-CAHLUQPWSA-N 1 2 209.253 -0.421 20 0 BBADLO Cc1nc(N2C[C@H](O)[C@@H](C)C2)nc(N)[nH+]1 ZINC000631188106 644148980 /nfs/dbraw/zinc/14/89/80/644148980.db2.gz HXFUQRHFBRSKQC-FSPLSTOPSA-N 1 2 209.253 -0.421 20 0 BBADLO Cc1nc(N)nc(N2C[C@@H](C)[C@H](O)C2)[nH+]1 ZINC000631188107 411966330 /nfs/dbraw/zinc/96/63/30/411966330.db2.gz HXFUQRHFBRSKQC-IYSWYEEDSA-N 1 2 209.253 -0.421 20 0 BBADLO Cc1nc(N2C[C@@H](C)[C@H](O)C2)nc(N)[nH+]1 ZINC000631188107 411966325 /nfs/dbraw/zinc/96/63/25/411966325.db2.gz HXFUQRHFBRSKQC-IYSWYEEDSA-N 1 2 209.253 -0.421 20 0 BBADLO Cc1nc(N)nc(N2C[C@@H](C)[C@@H](O)C2)[nH+]1 ZINC000631188108 487968536 /nfs/dbraw/zinc/96/85/36/487968536.db2.gz HXFUQRHFBRSKQC-VDTYLAMSSA-N 1 2 209.253 -0.421 20 0 BBADLO Cc1nc(N2C[C@@H](C)[C@@H](O)C2)nc(N)[nH+]1 ZINC000631188108 487968531 /nfs/dbraw/zinc/96/85/31/487968531.db2.gz HXFUQRHFBRSKQC-VDTYLAMSSA-N 1 2 209.253 -0.421 20 0 BBADLO O[C@@H]1COC[C@@H]1[NH2+]Cc1cn(C2CCC2)nn1 ZINC000631199596 372228982 /nfs/dbraw/zinc/22/89/82/372228982.db2.gz DBKSDMYPWKISIS-WDEREUQCSA-N 1 2 238.291 -0.148 20 0 BBADLO COc1nccnc1C[NH2+][C@@H]1COC[C@@H]1O ZINC000631201209 360857043 /nfs/dbraw/zinc/85/70/43/360857043.db2.gz RCXPVZWXHALAKF-BDAKNGLRSA-N 1 2 225.248 -0.666 20 0 BBADLO Cc1nc(N)nc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]1 ZINC000631201378 411963267 /nfs/dbraw/zinc/96/32/67/411963267.db2.gz QDBPOEONXJYBQN-HTRCEHHLSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1nc(N2CC[C@@H]([C@@H](C)O)C2)nc(N)[nH+]1 ZINC000631201378 411963260 /nfs/dbraw/zinc/96/32/60/411963260.db2.gz QDBPOEONXJYBQN-HTRCEHHLSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1nc(N)nc(N2CC[C@@H]([C@H](C)O)C2)[nH+]1 ZINC000631201379 411963407 /nfs/dbraw/zinc/96/34/07/411963407.db2.gz QDBPOEONXJYBQN-POYBYMJQSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1nc(N2CC[C@@H]([C@H](C)O)C2)nc(N)[nH+]1 ZINC000631201379 411963403 /nfs/dbraw/zinc/96/34/03/411963403.db2.gz QDBPOEONXJYBQN-POYBYMJQSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1nc(N)nc(N2CC[C@H]([C@@H](C)O)C2)[nH+]1 ZINC000631201380 411964173 /nfs/dbraw/zinc/96/41/73/411964173.db2.gz QDBPOEONXJYBQN-SVRRBLITSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1nc(N2CC[C@H]([C@@H](C)O)C2)nc(N)[nH+]1 ZINC000631201380 411964169 /nfs/dbraw/zinc/96/41/69/411964169.db2.gz QDBPOEONXJYBQN-SVRRBLITSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1nc(N)nc(N2CC[C@H]([C@H](C)O)C2)[nH+]1 ZINC000631201381 411964823 /nfs/dbraw/zinc/96/48/23/411964823.db2.gz QDBPOEONXJYBQN-XPUUQOCRSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1nc(N2CC[C@H]([C@H](C)O)C2)nc(N)[nH+]1 ZINC000631201381 411964820 /nfs/dbraw/zinc/96/48/20/411964820.db2.gz QDBPOEONXJYBQN-XPUUQOCRSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1[nH]c(CN[C@@H]2COC[C@@H]2O)[nH+]c1C ZINC000631201974 360878029 /nfs/dbraw/zinc/87/80/29/360878029.db2.gz WXGJYCMUALPEDS-BDAKNGLRSA-N 1 2 211.265 -0.124 20 0 BBADLO CCN1CCN(c2nc(N)nc(C)[nH+]2)CC1=O ZINC000631205851 411857015 /nfs/dbraw/zinc/85/70/15/411857015.db2.gz HEPKWVXKXLPJBD-UHFFFAOYSA-N 1 2 236.279 -0.569 20 0 BBADLO CCN1CCN(c2nc(C)[nH+]c(N)n2)CC1=O ZINC000631205851 411857012 /nfs/dbraw/zinc/85/70/12/411857012.db2.gz HEPKWVXKXLPJBD-UHFFFAOYSA-N 1 2 236.279 -0.569 20 0 BBADLO Cc1nc(N)nc(N(C)C2CC(O)C2)[nH+]1 ZINC000631207606 411939565 /nfs/dbraw/zinc/93/95/65/411939565.db2.gz XAUGUYBWNUYIHB-UHFFFAOYSA-N 1 2 209.253 -0.278 20 0 BBADLO Cc1nc(N(C)C2CC(O)C2)nc(N)[nH+]1 ZINC000631207606 411939560 /nfs/dbraw/zinc/93/95/60/411939560.db2.gz XAUGUYBWNUYIHB-UHFFFAOYSA-N 1 2 209.253 -0.278 20 0 BBADLO Cc1nc(N)nc(NCC2(CO)CCC2)[nH+]1 ZINC000631208238 411945329 /nfs/dbraw/zinc/94/53/29/411945329.db2.gz RKPYJNLFECIKGP-UHFFFAOYSA-N 1 2 223.280 -0.241 20 0 BBADLO Cc1nc(NCC2(CO)CCC2)nc(N)[nH+]1 ZINC000631208238 411945325 /nfs/dbraw/zinc/94/53/25/411945325.db2.gz RKPYJNLFECIKGP-UHFFFAOYSA-N 1 2 223.280 -0.241 20 0 BBADLO Cc1nc(N)nc(N2CCN(C)C(=O)[C@@H]2C)[nH+]1 ZINC000631217760 411962741 /nfs/dbraw/zinc/96/27/41/411962741.db2.gz GKHDCWXKOBVCIB-LURJTMIESA-N 1 2 236.279 -0.571 20 0 BBADLO Cc1nc(N2CCN(C)C(=O)[C@@H]2C)nc(N)[nH+]1 ZINC000631217760 411962740 /nfs/dbraw/zinc/96/27/40/411962740.db2.gz GKHDCWXKOBVCIB-LURJTMIESA-N 1 2 236.279 -0.571 20 0 BBADLO Cc1nc(N)nc(N2CCN(C)C(=O)[C@H]2C)[nH+]1 ZINC000631217761 411964815 /nfs/dbraw/zinc/96/48/15/411964815.db2.gz GKHDCWXKOBVCIB-ZCFIWIBFSA-N 1 2 236.279 -0.571 20 0 BBADLO Cc1nc(N2CCN(C)C(=O)[C@H]2C)nc(N)[nH+]1 ZINC000631217761 411964811 /nfs/dbraw/zinc/96/48/11/411964811.db2.gz GKHDCWXKOBVCIB-ZCFIWIBFSA-N 1 2 236.279 -0.571 20 0 BBADLO CNS(=O)(=O)CCC[NH2+]Cc1cn[nH]c1C ZINC000631229716 372250397 /nfs/dbraw/zinc/25/03/97/372250397.db2.gz OICIIMDYXOFSCZ-UHFFFAOYSA-N 1 2 246.336 -0.253 20 0 BBADLO CNS(=O)(=O)CCC[NH2+]Cc1ccn[nH]1 ZINC000631230485 372251315 /nfs/dbraw/zinc/25/13/15/372251315.db2.gz WXAYBKGUTBZIAW-UHFFFAOYSA-N 1 2 232.309 -0.561 20 0 BBADLO Cc1nc(N)nc(N(C)CC2(CO)CC2)[nH+]1 ZINC000631232470 411938715 /nfs/dbraw/zinc/93/87/15/411938715.db2.gz RYAIJYGBGFFSFN-UHFFFAOYSA-N 1 2 223.280 -0.029 20 0 BBADLO Cc1nc(N(C)CC2(CO)CC2)nc(N)[nH+]1 ZINC000631232470 411938711 /nfs/dbraw/zinc/93/87/11/411938711.db2.gz RYAIJYGBGFFSFN-UHFFFAOYSA-N 1 2 223.280 -0.029 20 0 BBADLO COCCCN(CCO)c1nc(N)nc(C)[nH+]1 ZINC000631233058 411863542 /nfs/dbraw/zinc/86/35/42/411863542.db2.gz WVYCHLKTRWOYFM-UHFFFAOYSA-N 1 2 241.295 -0.403 20 0 BBADLO COCCCN(CCO)c1nc(C)[nH+]c(N)n1 ZINC000631233058 411863536 /nfs/dbraw/zinc/86/35/36/411863536.db2.gz WVYCHLKTRWOYFM-UHFFFAOYSA-N 1 2 241.295 -0.403 20 0 BBADLO Cc1nc(N)nc(N2CC(F)(F)C[C@H]2CO)[nH+]1 ZINC000631233250 487967156 /nfs/dbraw/zinc/96/71/56/487967156.db2.gz NIBCHOJPGWZBLH-LURJTMIESA-N 1 2 245.233 -0.031 20 0 BBADLO Cc1nc(N2CC(F)(F)C[C@H]2CO)nc(N)[nH+]1 ZINC000631233250 487967150 /nfs/dbraw/zinc/96/71/50/487967150.db2.gz NIBCHOJPGWZBLH-LURJTMIESA-N 1 2 245.233 -0.031 20 0 BBADLO Cc1nc(N)nc(N2CC(F)(F)C[C@@H]2CO)[nH+]1 ZINC000631233251 487967413 /nfs/dbraw/zinc/96/74/13/487967413.db2.gz NIBCHOJPGWZBLH-ZCFIWIBFSA-N 1 2 245.233 -0.031 20 0 BBADLO Cc1nc(N2CC(F)(F)C[C@@H]2CO)nc(N)[nH+]1 ZINC000631233251 487967409 /nfs/dbraw/zinc/96/74/09/487967409.db2.gz NIBCHOJPGWZBLH-ZCFIWIBFSA-N 1 2 245.233 -0.031 20 0 BBADLO Cc1nc(N)nc(N2C[C@@H](O)CC(F)(F)C2)[nH+]1 ZINC000631237687 411965908 /nfs/dbraw/zinc/96/59/08/411965908.db2.gz AWHYKMFKOQIIMW-LURJTMIESA-N 1 2 245.233 -0.031 20 0 BBADLO Cc1nc(N2C[C@@H](O)CC(F)(F)C2)nc(N)[nH+]1 ZINC000631237687 411965902 /nfs/dbraw/zinc/96/59/02/411965902.db2.gz AWHYKMFKOQIIMW-LURJTMIESA-N 1 2 245.233 -0.031 20 0 BBADLO Cc1nc(N2C[C@H](O)CC(F)(F)C2)nc(N)[nH+]1 ZINC000631237688 644151103 /nfs/dbraw/zinc/15/11/03/644151103.db2.gz AWHYKMFKOQIIMW-ZCFIWIBFSA-N 1 2 245.233 -0.031 20 0 BBADLO Cc1nc(N2C[C@H](O)C[C@@H]2C)nc(N)[nH+]1 ZINC000631239065 644150486 /nfs/dbraw/zinc/15/04/86/644150486.db2.gz OGZYUZNXPQJCGK-CAHLUQPWSA-N 1 2 209.253 -0.278 20 0 BBADLO Cc1nc(N)nc(N2C[C@@H](O)C[C@@H]2C)[nH+]1 ZINC000631239069 411966230 /nfs/dbraw/zinc/96/62/30/411966230.db2.gz OGZYUZNXPQJCGK-FSPLSTOPSA-N 1 2 209.253 -0.278 20 0 BBADLO Cc1nc(N2C[C@@H](O)C[C@@H]2C)nc(N)[nH+]1 ZINC000631239069 411966225 /nfs/dbraw/zinc/96/62/25/411966225.db2.gz OGZYUZNXPQJCGK-FSPLSTOPSA-N 1 2 209.253 -0.278 20 0 BBADLO Cc1nc(N)nc(N2C[C@H](O)C[C@H]2C)[nH+]1 ZINC000631239071 411284622 /nfs/dbraw/zinc/28/46/22/411284622.db2.gz OGZYUZNXPQJCGK-IYSWYEEDSA-N 1 2 209.253 -0.278 20 0 BBADLO Cc1nc(N2C[C@H](O)C[C@H]2C)nc(N)[nH+]1 ZINC000631239071 411284618 /nfs/dbraw/zinc/28/46/18/411284618.db2.gz OGZYUZNXPQJCGK-IYSWYEEDSA-N 1 2 209.253 -0.278 20 0 BBADLO Cc1nc(N)nc(N2C[C@@H](O)C[C@H]2C)[nH+]1 ZINC000631239072 411966214 /nfs/dbraw/zinc/96/62/14/411966214.db2.gz OGZYUZNXPQJCGK-VDTYLAMSSA-N 1 2 209.253 -0.278 20 0 BBADLO Cc1nc(N2C[C@@H](O)C[C@H]2C)nc(N)[nH+]1 ZINC000631239072 411966211 /nfs/dbraw/zinc/96/62/11/411966211.db2.gz OGZYUZNXPQJCGK-VDTYLAMSSA-N 1 2 209.253 -0.278 20 0 BBADLO Cc1nc(N)nc(N2CC[C@@H](C)[C@H]2CO)[nH+]1 ZINC000631239399 411963708 /nfs/dbraw/zinc/96/37/08/411963708.db2.gz CUDIHOJXXUTWSW-HTRCEHHLSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1nc(N2CC[C@@H](C)[C@H]2CO)nc(N)[nH+]1 ZINC000631239399 411963706 /nfs/dbraw/zinc/96/37/06/411963706.db2.gz CUDIHOJXXUTWSW-HTRCEHHLSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1nc(N)nc(N2CC[C@H](C)[C@H]2CO)[nH+]1 ZINC000631239400 411417424 /nfs/dbraw/zinc/41/74/24/411417424.db2.gz CUDIHOJXXUTWSW-POYBYMJQSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1nc(N2CC[C@H](C)[C@H]2CO)nc(N)[nH+]1 ZINC000631239400 411417422 /nfs/dbraw/zinc/41/74/22/411417422.db2.gz CUDIHOJXXUTWSW-POYBYMJQSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1nc(N)nc(N2CC[C@@H](C)[C@@H]2CO)[nH+]1 ZINC000631239403 411962413 /nfs/dbraw/zinc/96/24/13/411962413.db2.gz CUDIHOJXXUTWSW-SVRRBLITSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1nc(N2CC[C@@H](C)[C@@H]2CO)nc(N)[nH+]1 ZINC000631239403 411962411 /nfs/dbraw/zinc/96/24/11/411962411.db2.gz CUDIHOJXXUTWSW-SVRRBLITSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1nc(N)nc(N2CC[C@H](C)[C@@H]2CO)[nH+]1 ZINC000631239404 411963137 /nfs/dbraw/zinc/96/31/37/411963137.db2.gz CUDIHOJXXUTWSW-XPUUQOCRSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1nc(N2CC[C@H](C)[C@@H]2CO)nc(N)[nH+]1 ZINC000631239404 411963132 /nfs/dbraw/zinc/96/31/32/411963132.db2.gz CUDIHOJXXUTWSW-XPUUQOCRSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1nc(N)nc(N2C[C@@H](C)O[C@@H](CO)C2)[nH+]1 ZINC000631240045 487967120 /nfs/dbraw/zinc/96/71/20/487967120.db2.gz YJILCNAYUFFBBQ-HTRCEHHLSA-N 1 2 239.279 -0.652 20 0 BBADLO Cc1nc(N2C[C@@H](C)O[C@@H](CO)C2)nc(N)[nH+]1 ZINC000631240045 487967110 /nfs/dbraw/zinc/96/71/10/487967110.db2.gz YJILCNAYUFFBBQ-HTRCEHHLSA-N 1 2 239.279 -0.652 20 0 BBADLO Cc1nc(N)nc(N2C[C@H](CO)O[C@@H](C)C2)[nH+]1 ZINC000631240046 411284788 /nfs/dbraw/zinc/28/47/88/411284788.db2.gz YJILCNAYUFFBBQ-POYBYMJQSA-N 1 2 239.279 -0.652 20 0 BBADLO Cc1nc(N2C[C@H](CO)O[C@@H](C)C2)nc(N)[nH+]1 ZINC000631240046 411284785 /nfs/dbraw/zinc/28/47/85/411284785.db2.gz YJILCNAYUFFBBQ-POYBYMJQSA-N 1 2 239.279 -0.652 20 0 BBADLO Cc1nc(N)nc(N2C[C@@H](C)O[C@H](CO)C2)[nH+]1 ZINC000631240047 487968426 /nfs/dbraw/zinc/96/84/26/487968426.db2.gz YJILCNAYUFFBBQ-SVRRBLITSA-N 1 2 239.279 -0.652 20 0 BBADLO Cc1nc(N2C[C@@H](C)O[C@H](CO)C2)nc(N)[nH+]1 ZINC000631240047 487968421 /nfs/dbraw/zinc/96/84/21/487968421.db2.gz YJILCNAYUFFBBQ-SVRRBLITSA-N 1 2 239.279 -0.652 20 0 BBADLO Cc1nc(N)nc(N2C[C@H](C)O[C@H](CO)C2)[nH+]1 ZINC000631240048 411285877 /nfs/dbraw/zinc/28/58/77/411285877.db2.gz YJILCNAYUFFBBQ-XPUUQOCRSA-N 1 2 239.279 -0.652 20 0 BBADLO Cc1nc(N2C[C@H](C)O[C@H](CO)C2)nc(N)[nH+]1 ZINC000631240048 411285873 /nfs/dbraw/zinc/28/58/73/411285873.db2.gz YJILCNAYUFFBBQ-XPUUQOCRSA-N 1 2 239.279 -0.652 20 0 BBADLO Cc1nc(N)nc(N(C)CCCCO)[nH+]1 ZINC000631240413 411941130 /nfs/dbraw/zinc/94/11/30/411941130.db2.gz JSTZTGJRFXSCBZ-UHFFFAOYSA-N 1 2 211.269 -0.029 20 0 BBADLO Cc1nc(N(C)CCCCO)nc(N)[nH+]1 ZINC000631240413 411941124 /nfs/dbraw/zinc/94/11/24/411941124.db2.gz JSTZTGJRFXSCBZ-UHFFFAOYSA-N 1 2 211.269 -0.029 20 0 BBADLO Cn1c(C(=O)N2CCn3cc[nH+]c3C2)c[nH]c1=O ZINC000631240883 372254691 /nfs/dbraw/zinc/25/46/91/372254691.db2.gz KWOUVNRWXDBSNX-UHFFFAOYSA-N 1 2 247.258 -0.022 20 0 BBADLO Cc1nc(N)nc(NCCC2CC(O)C2)[nH+]1 ZINC000631247792 411939706 /nfs/dbraw/zinc/93/97/06/411939706.db2.gz LSGMVQBQWICIQG-UHFFFAOYSA-N 1 2 223.280 -0.243 20 0 BBADLO Cc1nc(NCCC2CC(O)C2)nc(N)[nH+]1 ZINC000631247792 411939700 /nfs/dbraw/zinc/93/97/00/411939700.db2.gz LSGMVQBQWICIQG-UHFFFAOYSA-N 1 2 223.280 -0.243 20 0 BBADLO Cc1nc(N)nc(N2C[C@@H](O)C(C)(C)C2)[nH+]1 ZINC000631252909 411965616 /nfs/dbraw/zinc/96/56/16/411965616.db2.gz CKMUUKGKGAUDPQ-SSDOTTSWSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1nc(N2C[C@@H](O)C(C)(C)C2)nc(N)[nH+]1 ZINC000631252909 411965614 /nfs/dbraw/zinc/96/56/14/411965614.db2.gz CKMUUKGKGAUDPQ-SSDOTTSWSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1nc(N2C[C@H](O)C(C)(C)C2)nc(N)[nH+]1 ZINC000631252910 644152279 /nfs/dbraw/zinc/15/22/79/644152279.db2.gz CKMUUKGKGAUDPQ-ZETCQYMHSA-N 1 2 223.280 -0.031 20 0 BBADLO Cc1cc(NC(=O)C2CS(=O)(=O)C2)cc[nH+]1 ZINC000631253871 356455768 /nfs/dbraw/zinc/45/57/68/356455768.db2.gz LETWJNADAKSAFZ-UHFFFAOYSA-N 1 2 240.284 -0.205 20 0 BBADLO Cc1cc(NC(=O)CCc2nn[nH]n2)cc[nH+]1 ZINC000631255166 372263996 /nfs/dbraw/zinc/26/39/96/372263996.db2.gz VUEBMVTXHRHBME-UHFFFAOYSA-N 1 2 232.247 -0.104 20 0 BBADLO Cn1cc(C[NH2+]C2CN(c3ccncn3)C2)nn1 ZINC000631257922 357213555 /nfs/dbraw/zinc/21/35/55/357213555.db2.gz JLMJUORRBCCIGH-UHFFFAOYSA-N 1 2 245.290 -0.417 20 0 BBADLO Cc1[nH]ncc1C[NH2+][C@@H]1COCC[C@H]1O ZINC000631258355 372265720 /nfs/dbraw/zinc/26/57/20/372265720.db2.gz SEAVYCQGWSHABQ-NXEZZACHSA-N 1 2 211.265 -0.042 20 0 BBADLO Cc1nc(N)nc(N2C[C@@H]3COC[C@@H]3C2)[nH+]1 ZINC000631260638 487967505 /nfs/dbraw/zinc/96/75/05/487967505.db2.gz AKVMCTMXCAKKOE-OCAPTIKFSA-N 1 2 221.264 -0.155 20 0 BBADLO Cc1nc(N2C[C@@H]3COC[C@@H]3C2)nc(N)[nH+]1 ZINC000631260638 487967502 /nfs/dbraw/zinc/96/75/02/487967502.db2.gz AKVMCTMXCAKKOE-OCAPTIKFSA-N 1 2 221.264 -0.155 20 0 BBADLO Cc1nc(N)nc(N(C)CCOCCO)[nH+]1 ZINC000631264691 411940720 /nfs/dbraw/zinc/94/07/20/411940720.db2.gz SWVZKYYGZCHUCH-UHFFFAOYSA-N 1 2 227.268 -0.793 20 0 BBADLO Cc1nc(N(C)CCOCCO)nc(N)[nH+]1 ZINC000631264691 411940716 /nfs/dbraw/zinc/94/07/16/411940716.db2.gz SWVZKYYGZCHUCH-UHFFFAOYSA-N 1 2 227.268 -0.793 20 0 BBADLO CCN(CCOCCO)c1nc(N)nc(C)[nH+]1 ZINC000631264794 411854363 /nfs/dbraw/zinc/85/43/63/411854363.db2.gz OVTBYFMNNZHYJD-UHFFFAOYSA-N 1 2 241.295 -0.403 20 0 BBADLO CCN(CCOCCO)c1nc(C)[nH+]c(N)n1 ZINC000631264794 411854358 /nfs/dbraw/zinc/85/43/58/411854358.db2.gz OVTBYFMNNZHYJD-UHFFFAOYSA-N 1 2 241.295 -0.403 20 0 BBADLO Cc1nc(N)nc(N2CC(=O)N(C)[C@@H](C)C2)[nH+]1 ZINC000631265047 411960623 /nfs/dbraw/zinc/96/06/23/411960623.db2.gz YIJGMWKEAINYPR-LURJTMIESA-N 1 2 236.279 -0.571 20 0 BBADLO Cc1nc(N2CC(=O)N(C)[C@@H](C)C2)nc(N)[nH+]1 ZINC000631265047 411960621 /nfs/dbraw/zinc/96/06/21/411960621.db2.gz YIJGMWKEAINYPR-LURJTMIESA-N 1 2 236.279 -0.571 20 0 BBADLO Cc1nc(N)nc(N2CC(=O)N(C)[C@H](C)C2)[nH+]1 ZINC000631265051 411959647 /nfs/dbraw/zinc/95/96/47/411959647.db2.gz YIJGMWKEAINYPR-ZCFIWIBFSA-N 1 2 236.279 -0.571 20 0 BBADLO Cc1nc(N2CC(=O)N(C)[C@H](C)C2)nc(N)[nH+]1 ZINC000631265051 411959646 /nfs/dbraw/zinc/95/96/46/411959646.db2.gz YIJGMWKEAINYPR-ZCFIWIBFSA-N 1 2 236.279 -0.571 20 0 BBADLO Cc1nc(N)nc(N2CC[C@](F)(CO)C2)[nH+]1 ZINC000631265399 411966310 /nfs/dbraw/zinc/96/63/10/411966310.db2.gz BXDUVRGKAKPOIY-SECBINFHSA-N 1 2 227.243 -0.327 20 0 BBADLO Cc1nc(N2CC[C@](F)(CO)C2)nc(N)[nH+]1 ZINC000631265399 411966308 /nfs/dbraw/zinc/96/63/08/411966308.db2.gz BXDUVRGKAKPOIY-SECBINFHSA-N 1 2 227.243 -0.327 20 0 BBADLO Cc1nc(N)nc(N2CC[C@@](F)(CO)C2)[nH+]1 ZINC000631265400 411964889 /nfs/dbraw/zinc/96/48/89/411964889.db2.gz BXDUVRGKAKPOIY-VIFPVBQESA-N 1 2 227.243 -0.327 20 0 BBADLO Cc1nc(N2CC[C@@](F)(CO)C2)nc(N)[nH+]1 ZINC000631265400 411964886 /nfs/dbraw/zinc/96/48/86/411964886.db2.gz BXDUVRGKAKPOIY-VIFPVBQESA-N 1 2 227.243 -0.327 20 0 BBADLO Cc1nc(N)nc(N2C[C@@H]3COC[C@H](C2)O3)[nH+]1 ZINC000631274750 487966634 /nfs/dbraw/zinc/96/66/34/487966634.db2.gz YDHFXHHRBVBIKR-OCAPTIKFSA-N 1 2 237.263 -0.634 20 0 BBADLO Cc1nc(N2C[C@@H]3COC[C@H](C2)O3)nc(N)[nH+]1 ZINC000631274750 487966628 /nfs/dbraw/zinc/96/66/28/487966628.db2.gz YDHFXHHRBVBIKR-OCAPTIKFSA-N 1 2 237.263 -0.634 20 0 BBADLO Cc1nc(N)nc(N2CCO[C@@H]3C[C@@H]32)[nH+]1 ZINC000631280309 411964879 /nfs/dbraw/zinc/96/48/79/411964879.db2.gz ISTCBWZSFYFKED-NKWVEPMBSA-N 1 2 207.237 -0.260 20 0 BBADLO Cc1nc(N2CCO[C@@H]3C[C@@H]32)nc(N)[nH+]1 ZINC000631280309 411964876 /nfs/dbraw/zinc/96/48/76/411964876.db2.gz ISTCBWZSFYFKED-NKWVEPMBSA-N 1 2 207.237 -0.260 20 0 BBADLO Cc1nc(N)nc(N2CCO[C@H]3C[C@H]32)[nH+]1 ZINC000631280311 411962809 /nfs/dbraw/zinc/96/28/09/411962809.db2.gz ISTCBWZSFYFKED-RQJHMYQMSA-N 1 2 207.237 -0.260 20 0 BBADLO Cc1nc(N2CCO[C@H]3C[C@H]32)nc(N)[nH+]1 ZINC000631280311 411962803 /nfs/dbraw/zinc/96/28/03/411962803.db2.gz ISTCBWZSFYFKED-RQJHMYQMSA-N 1 2 207.237 -0.260 20 0 BBADLO CC[C@H](CO)N(C)c1nc(N)nc(C)[nH+]1 ZINC000631285984 411885699 /nfs/dbraw/zinc/88/56/99/411885699.db2.gz MQSQMQYMCRPFSV-SSDOTTSWSA-N 1 2 211.269 -0.031 20 0 BBADLO CC[C@H](CO)N(C)c1nc(C)[nH+]c(N)n1 ZINC000631285984 411885694 /nfs/dbraw/zinc/88/56/94/411885694.db2.gz MQSQMQYMCRPFSV-SSDOTTSWSA-N 1 2 211.269 -0.031 20 0 BBADLO CC[C@@H](CO)N(C)c1nc(N)nc(C)[nH+]1 ZINC000631285985 411878613 /nfs/dbraw/zinc/87/86/13/411878613.db2.gz MQSQMQYMCRPFSV-ZETCQYMHSA-N 1 2 211.269 -0.031 20 0 BBADLO CC[C@@H](CO)N(C)c1nc(C)[nH+]c(N)n1 ZINC000631285985 411878610 /nfs/dbraw/zinc/87/86/10/411878610.db2.gz MQSQMQYMCRPFSV-ZETCQYMHSA-N 1 2 211.269 -0.031 20 0 BBADLO Cc1nc(N)nc(N[C@H](C)Cc2cnn(C)c2)[nH+]1 ZINC000631293190 411277900 /nfs/dbraw/zinc/27/79/00/411277900.db2.gz BIUSGNLPTAJQPZ-SSDOTTSWSA-N 1 2 247.306 -0.039 20 0 BBADLO Cc1nc(N[C@H](C)Cc2cnn(C)c2)nc(N)[nH+]1 ZINC000631293190 411277896 /nfs/dbraw/zinc/27/78/96/411277896.db2.gz BIUSGNLPTAJQPZ-SSDOTTSWSA-N 1 2 247.306 -0.039 20 0 BBADLO Cc1nc(N)nc(N[C@@H](C)Cc2cnn(C)c2)[nH+]1 ZINC000631293193 411947466 /nfs/dbraw/zinc/94/74/66/411947466.db2.gz BIUSGNLPTAJQPZ-ZETCQYMHSA-N 1 2 247.306 -0.039 20 0 BBADLO Cc1nc(N[C@@H](C)Cc2cnn(C)c2)nc(N)[nH+]1 ZINC000631293193 411947461 /nfs/dbraw/zinc/94/74/61/411947461.db2.gz BIUSGNLPTAJQPZ-ZETCQYMHSA-N 1 2 247.306 -0.039 20 0 BBADLO Cc1nc(N)nc(N2CC[C@@H](O)[C@H]2C)[nH+]1 ZINC000631295379 411964605 /nfs/dbraw/zinc/96/46/05/411964605.db2.gz SHKAFWUWAXFQJZ-IYSWYEEDSA-N 1 2 209.253 -0.278 20 0 BBADLO Cc1nc(N2CC[C@@H](O)[C@H]2C)nc(N)[nH+]1 ZINC000631295379 411964603 /nfs/dbraw/zinc/96/46/03/411964603.db2.gz SHKAFWUWAXFQJZ-IYSWYEEDSA-N 1 2 209.253 -0.278 20 0 BBADLO Cc1nc(N2C[C@H](C)C[C@H](O)C2)nc(N)[nH+]1 ZINC000631296238 644153879 /nfs/dbraw/zinc/15/38/79/644153879.db2.gz ASYUWAMQQJTUOB-SVRRBLITSA-N 1 2 223.280 -0.031 20 0 BBADLO CO[C@@H]1COC[C@@H]1Nc1nc(N)nc(C)[nH+]1 ZINC000631299471 411896130 /nfs/dbraw/zinc/89/61/30/411896130.db2.gz YTZLQUFBSNATLX-NKWVEPMBSA-N 1 2 225.252 -0.412 20 0 BBADLO CO[C@@H]1COC[C@@H]1Nc1nc(C)[nH+]c(N)n1 ZINC000631299471 411896128 /nfs/dbraw/zinc/89/61/28/411896128.db2.gz YTZLQUFBSNATLX-NKWVEPMBSA-N 1 2 225.252 -0.412 20 0 BBADLO Cc1nc(N)nc(N2CCO[C@H](CF)C2)[nH+]1 ZINC000631299964 411964717 /nfs/dbraw/zinc/96/47/17/411964717.db2.gz VZOIRHBMKRXPLV-SSDOTTSWSA-N 1 2 227.243 -0.063 20 0 BBADLO Cc1nc(N2CCO[C@H](CF)C2)nc(N)[nH+]1 ZINC000631299964 411964714 /nfs/dbraw/zinc/96/47/14/411964714.db2.gz VZOIRHBMKRXPLV-SSDOTTSWSA-N 1 2 227.243 -0.063 20 0 BBADLO Cc1nc(N)nc(N2CCO[C@@H](CF)C2)[nH+]1 ZINC000631299965 411283344 /nfs/dbraw/zinc/28/33/44/411283344.db2.gz VZOIRHBMKRXPLV-ZETCQYMHSA-N 1 2 227.243 -0.063 20 0 BBADLO Cc1nc(N2CCO[C@@H](CF)C2)nc(N)[nH+]1 ZINC000631299965 411283341 /nfs/dbraw/zinc/28/33/41/411283341.db2.gz VZOIRHBMKRXPLV-ZETCQYMHSA-N 1 2 227.243 -0.063 20 0 BBADLO Cc1nc(N)nc(N2CC(C)(CO)C2)[nH+]1 ZINC000631300366 411961100 /nfs/dbraw/zinc/96/11/00/411961100.db2.gz HGYAUNPJLASXQC-UHFFFAOYSA-N 1 2 209.253 -0.419 20 0 BBADLO Cc1nc(N2CC(C)(CO)C2)nc(N)[nH+]1 ZINC000631300366 411961096 /nfs/dbraw/zinc/96/10/96/411961096.db2.gz HGYAUNPJLASXQC-UHFFFAOYSA-N 1 2 209.253 -0.419 20 0 BBADLO CCO[C@@H]1COC[C@H]1Nc1nc(N)nc(C)[nH+]1 ZINC000631300879 411870394 /nfs/dbraw/zinc/87/03/94/411870394.db2.gz FTPWOVISVYOTPQ-HTQZYQBOSA-N 1 2 239.279 -0.022 20 0 BBADLO CCO[C@@H]1COC[C@H]1Nc1nc(C)[nH+]c(N)n1 ZINC000631300879 411870390 /nfs/dbraw/zinc/87/03/90/411870390.db2.gz FTPWOVISVYOTPQ-HTQZYQBOSA-N 1 2 239.279 -0.022 20 0 BBADLO O=C([C@H]1CCCNC1=O)N1CC(n2cc[nH+]c2)C1 ZINC000631301213 343663544 /nfs/dbraw/zinc/66/35/44/343663544.db2.gz IMARWWMZRAPCQA-JTQLQIEISA-N 1 2 248.286 -0.207 20 0 BBADLO O=C([C@@H]1CCCNC1=O)N1CC(n2cc[nH+]c2)C1 ZINC000631301214 343663510 /nfs/dbraw/zinc/66/35/10/343663510.db2.gz IMARWWMZRAPCQA-SNVBAGLBSA-N 1 2 248.286 -0.207 20 0 BBADLO Cc1nc(N)nc(N2CCO[C@@H]([C@@H](C)O)C2)[nH+]1 ZINC000631303770 411963205 /nfs/dbraw/zinc/96/32/05/411963205.db2.gz SRZJYOXIHGRJAQ-HTRCEHHLSA-N 1 2 239.279 -0.652 20 0 BBADLO Cc1nc(N2CCO[C@@H]([C@@H](C)O)C2)nc(N)[nH+]1 ZINC000631303770 411963200 /nfs/dbraw/zinc/96/32/00/411963200.db2.gz SRZJYOXIHGRJAQ-HTRCEHHLSA-N 1 2 239.279 -0.652 20 0 BBADLO Cc1nc(N)nc(N2CCO[C@@H]([C@H](C)O)C2)[nH+]1 ZINC000631303771 411963865 /nfs/dbraw/zinc/96/38/65/411963865.db2.gz SRZJYOXIHGRJAQ-POYBYMJQSA-N 1 2 239.279 -0.652 20 0 BBADLO Cc1nc(N2CCO[C@@H]([C@H](C)O)C2)nc(N)[nH+]1 ZINC000631303771 411963861 /nfs/dbraw/zinc/96/38/61/411963861.db2.gz SRZJYOXIHGRJAQ-POYBYMJQSA-N 1 2 239.279 -0.652 20 0 BBADLO Cc1nc(N)nc(N2CCO[C@H]([C@@H](C)O)C2)[nH+]1 ZINC000631303772 411283885 /nfs/dbraw/zinc/28/38/85/411283885.db2.gz SRZJYOXIHGRJAQ-SVRRBLITSA-N 1 2 239.279 -0.652 20 0 BBADLO Cc1nc(N2CCO[C@H]([C@@H](C)O)C2)nc(N)[nH+]1 ZINC000631303772 411283881 /nfs/dbraw/zinc/28/38/81/411283881.db2.gz SRZJYOXIHGRJAQ-SVRRBLITSA-N 1 2 239.279 -0.652 20 0 BBADLO Cc1nc(N)nc(N2CCO[C@H]([C@H](C)O)C2)[nH+]1 ZINC000631303773 411282927 /nfs/dbraw/zinc/28/29/27/411282927.db2.gz SRZJYOXIHGRJAQ-XPUUQOCRSA-N 1 2 239.279 -0.652 20 0 BBADLO Cc1nc(N2CCO[C@H]([C@H](C)O)C2)nc(N)[nH+]1 ZINC000631303773 411282924 /nfs/dbraw/zinc/28/29/24/411282924.db2.gz SRZJYOXIHGRJAQ-XPUUQOCRSA-N 1 2 239.279 -0.652 20 0 BBADLO OC[C@H](C[NH+]1CCOCC1)Nc1cnccn1 ZINC000631306186 411689825 /nfs/dbraw/zinc/68/98/25/411689825.db2.gz BVYNAFQOPOZXFV-JTQLQIEISA-N 1 2 238.291 -0.418 20 0 BBADLO OC[C@@H](C[NH+]1CCOCC1)Nc1cnccn1 ZINC000631306187 411687541 /nfs/dbraw/zinc/68/75/41/411687541.db2.gz BVYNAFQOPOZXFV-SNVBAGLBSA-N 1 2 238.291 -0.418 20 0 BBADLO OC[C@H](C[NH+]1CCOCC1)Nc1ncccn1 ZINC000631307527 372285696 /nfs/dbraw/zinc/28/56/96/372285696.db2.gz ROXUCYLLNCSCEL-JTQLQIEISA-N 1 2 238.291 -0.418 20 0 BBADLO OC[C@@H](C[NH+]1CCOCC1)Nc1ncccn1 ZINC000631307529 372284910 /nfs/dbraw/zinc/28/49/10/372284910.db2.gz ROXUCYLLNCSCEL-SNVBAGLBSA-N 1 2 238.291 -0.418 20 0 BBADLO CNC(=O)[C@@H]1CCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000631309015 411897829 /nfs/dbraw/zinc/89/78/29/411897829.db2.gz JMNXZBBRTZSHFU-SSDOTTSWSA-N 1 2 236.279 -0.665 20 0 BBADLO CNC(=O)[C@@H]1CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000631309015 411897826 /nfs/dbraw/zinc/89/78/26/411897826.db2.gz JMNXZBBRTZSHFU-SSDOTTSWSA-N 1 2 236.279 -0.665 20 0 BBADLO CNC(=O)[C@H]1CCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000631309017 411902294 /nfs/dbraw/zinc/90/22/94/411902294.db2.gz JMNXZBBRTZSHFU-ZETCQYMHSA-N 1 2 236.279 -0.665 20 0 BBADLO CNC(=O)[C@H]1CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000631309017 411902289 /nfs/dbraw/zinc/90/22/89/411902289.db2.gz JMNXZBBRTZSHFU-ZETCQYMHSA-N 1 2 236.279 -0.665 20 0 BBADLO CC(=O)NCCN(C)c1nc(N)nc(C)[nH+]1 ZINC000631318844 411858673 /nfs/dbraw/zinc/85/86/73/411858673.db2.gz AUKHPHNJYBIXMD-UHFFFAOYSA-N 1 2 224.268 -0.665 20 0 BBADLO CC(=O)NCCN(C)c1nc(C)[nH+]c(N)n1 ZINC000631318844 411858669 /nfs/dbraw/zinc/85/86/69/411858669.db2.gz AUKHPHNJYBIXMD-UHFFFAOYSA-N 1 2 224.268 -0.665 20 0 BBADLO CO[C@@H]1COC[C@H]1Nc1nc(N)nc(C)[nH+]1 ZINC000631320627 411894984 /nfs/dbraw/zinc/89/49/84/411894984.db2.gz YTZLQUFBSNATLX-RNFRBKRXSA-N 1 2 225.252 -0.412 20 0 BBADLO CO[C@@H]1COC[C@H]1Nc1nc(C)[nH+]c(N)n1 ZINC000631320627 411894979 /nfs/dbraw/zinc/89/49/79/411894979.db2.gz YTZLQUFBSNATLX-RNFRBKRXSA-N 1 2 225.252 -0.412 20 0 BBADLO COC[C@H]1C[C@@H](O)CN1c1nc(N)nc(C)[nH+]1 ZINC000631325941 411868370 /nfs/dbraw/zinc/86/83/70/411868370.db2.gz DCHNAFNNBHHYMQ-HTQZYQBOSA-N 1 2 239.279 -0.652 20 0 BBADLO COC[C@H]1C[C@@H](O)CN1c1nc(C)[nH+]c(N)n1 ZINC000631325941 411868366 /nfs/dbraw/zinc/86/83/66/411868366.db2.gz DCHNAFNNBHHYMQ-HTQZYQBOSA-N 1 2 239.279 -0.652 20 0 BBADLO COC[C@@H]1C[C@@H](O)CN1c1nc(N)nc(C)[nH+]1 ZINC000631325942 411867379 /nfs/dbraw/zinc/86/73/79/411867379.db2.gz DCHNAFNNBHHYMQ-JGVFFNPUSA-N 1 2 239.279 -0.652 20 0 BBADLO COC[C@@H]1C[C@@H](O)CN1c1nc(C)[nH+]c(N)n1 ZINC000631325942 411867376 /nfs/dbraw/zinc/86/73/76/411867376.db2.gz DCHNAFNNBHHYMQ-JGVFFNPUSA-N 1 2 239.279 -0.652 20 0 BBADLO Cc1nc(N2CN(C)C(=O)[C@H]2C)nc(N)[nH+]1 ZINC000631328923 411965504 /nfs/dbraw/zinc/96/55/04/411965504.db2.gz LIPARYCHAMQEIU-RXMQYKEDSA-N 1 2 222.252 -0.613 20 0 BBADLO Cc1nc(N2CN(C)C(=O)[C@@H]2C)nc(N)[nH+]1 ZINC000631328938 411966425 /nfs/dbraw/zinc/96/64/25/411966425.db2.gz LIPARYCHAMQEIU-YFKPBYRVSA-N 1 2 222.252 -0.613 20 0 BBADLO Cc1nc(N)nc(N[C@H](CO)CCF)[nH+]1 ZINC000631342232 411968284 /nfs/dbraw/zinc/96/82/84/411968284.db2.gz VRJNLNIAXCOETD-LURJTMIESA-N 1 2 215.232 -0.105 20 0 BBADLO Cc1nc(N[C@H](CO)CCF)nc(N)[nH+]1 ZINC000631342232 411968281 /nfs/dbraw/zinc/96/82/81/411968281.db2.gz VRJNLNIAXCOETD-LURJTMIESA-N 1 2 215.232 -0.105 20 0 BBADLO Cc1nc(N)nc(N[C@@H](CO)CCF)[nH+]1 ZINC000631342233 411283301 /nfs/dbraw/zinc/28/33/01/411283301.db2.gz VRJNLNIAXCOETD-ZCFIWIBFSA-N 1 2 215.232 -0.105 20 0 BBADLO Cc1nc(N[C@@H](CO)CCF)nc(N)[nH+]1 ZINC000631342233 411283299 /nfs/dbraw/zinc/28/32/99/411283299.db2.gz VRJNLNIAXCOETD-ZCFIWIBFSA-N 1 2 215.232 -0.105 20 0 BBADLO Cc1nc(N)nc(N(C)[C@@H](C)CCO)[nH+]1 ZINC000631342578 411935524 /nfs/dbraw/zinc/93/55/24/411935524.db2.gz ZZHMPQDFYMAKIE-LURJTMIESA-N 1 2 211.269 -0.031 20 0 BBADLO Cc1nc(N(C)[C@@H](C)CCO)nc(N)[nH+]1 ZINC000631342578 411935522 /nfs/dbraw/zinc/93/55/22/411935522.db2.gz ZZHMPQDFYMAKIE-LURJTMIESA-N 1 2 211.269 -0.031 20 0 BBADLO Cc1nc(N)nc(N(C)[C@H](C)CCO)[nH+]1 ZINC000631342580 411944512 /nfs/dbraw/zinc/94/45/12/411944512.db2.gz ZZHMPQDFYMAKIE-ZCFIWIBFSA-N 1 2 211.269 -0.031 20 0 BBADLO Cc1nc(N(C)[C@H](C)CCO)nc(N)[nH+]1 ZINC000631342580 411944506 /nfs/dbraw/zinc/94/45/06/411944506.db2.gz ZZHMPQDFYMAKIE-ZCFIWIBFSA-N 1 2 211.269 -0.031 20 0 BBADLO Cc1nc(N)nc(N(C)C[C@@H]2COCCO2)[nH+]1 ZINC000631358170 411942448 /nfs/dbraw/zinc/94/24/48/411942448.db2.gz NAGNMHVZHHUNHG-MRVPVSSYSA-N 1 2 239.279 -0.386 20 0 BBADLO Cc1nc(N(C)C[C@@H]2COCCO2)nc(N)[nH+]1 ZINC000631358170 411942443 /nfs/dbraw/zinc/94/24/43/411942443.db2.gz NAGNMHVZHHUNHG-MRVPVSSYSA-N 1 2 239.279 -0.386 20 0 BBADLO Cc1nc(N)nc(N(C)C[C@H]2COCCO2)[nH+]1 ZINC000631358171 411944556 /nfs/dbraw/zinc/94/45/56/411944556.db2.gz NAGNMHVZHHUNHG-QMMMGPOBSA-N 1 2 239.279 -0.386 20 0 BBADLO Cc1nc(N(C)C[C@H]2COCCO2)nc(N)[nH+]1 ZINC000631358171 411944549 /nfs/dbraw/zinc/94/45/49/411944549.db2.gz NAGNMHVZHHUNHG-QMMMGPOBSA-N 1 2 239.279 -0.386 20 0 BBADLO COC[C@@H](CCNc1nc(N)nc(C)[nH+]1)OC ZINC000631358349 411865342 /nfs/dbraw/zinc/86/53/42/411865342.db2.gz JLEDUIGMINDTQP-MRVPVSSYSA-N 1 2 241.295 -0.352 20 0 BBADLO COC[C@@H](CCNc1nc(C)[nH+]c(N)n1)OC ZINC000631358349 411865336 /nfs/dbraw/zinc/86/53/36/411865336.db2.gz JLEDUIGMINDTQP-MRVPVSSYSA-N 1 2 241.295 -0.352 20 0 BBADLO COC[C@H](CCNc1nc(N)nc(C)[nH+]1)OC ZINC000631358350 411865638 /nfs/dbraw/zinc/86/56/38/411865638.db2.gz JLEDUIGMINDTQP-QMMMGPOBSA-N 1 2 241.295 -0.352 20 0 BBADLO COC[C@H](CCNc1nc(C)[nH+]c(N)n1)OC ZINC000631358350 411865636 /nfs/dbraw/zinc/86/56/36/411865636.db2.gz JLEDUIGMINDTQP-QMMMGPOBSA-N 1 2 241.295 -0.352 20 0 BBADLO Cc1nc(N)nc(N(C)Cc2cn(C)nn2)[nH+]1 ZINC000631360079 411936873 /nfs/dbraw/zinc/93/68/73/411936873.db2.gz CTJZLFPTSRSXNC-UHFFFAOYSA-N 1 2 234.267 -0.473 20 0 BBADLO Cc1nc(N(C)Cc2cn(C)nn2)nc(N)[nH+]1 ZINC000631360079 411936869 /nfs/dbraw/zinc/93/68/69/411936869.db2.gz CTJZLFPTSRSXNC-UHFFFAOYSA-N 1 2 234.267 -0.473 20 0 BBADLO Cc1nc(N)nc(N2CC[C@@]3(O)C[C@H]3C2)[nH+]1 ZINC000631361538 411964615 /nfs/dbraw/zinc/96/46/15/411964615.db2.gz OYWCPQLADDZGCL-OIBJUYFYSA-N 1 2 221.264 -0.277 20 0 BBADLO Cc1nc(N2CC[C@@]3(O)C[C@H]3C2)nc(N)[nH+]1 ZINC000631361538 411964612 /nfs/dbraw/zinc/96/46/12/411964612.db2.gz OYWCPQLADDZGCL-OIBJUYFYSA-N 1 2 221.264 -0.277 20 0 BBADLO Cc1nc(N)nc(N[C@@H](C)C2(CO)CC2)[nH+]1 ZINC000631363419 411942365 /nfs/dbraw/zinc/94/23/65/411942365.db2.gz CVXRIFZCBFLJEO-LURJTMIESA-N 1 2 223.280 -0.243 20 0 BBADLO Cc1nc(N[C@@H](C)C2(CO)CC2)nc(N)[nH+]1 ZINC000631363419 411942360 /nfs/dbraw/zinc/94/23/60/411942360.db2.gz CVXRIFZCBFLJEO-LURJTMIESA-N 1 2 223.280 -0.243 20 0 BBADLO Cc1nc(N)nc(N[C@H](C)C2(CO)CC2)[nH+]1 ZINC000631363420 411947325 /nfs/dbraw/zinc/94/73/25/411947325.db2.gz CVXRIFZCBFLJEO-ZCFIWIBFSA-N 1 2 223.280 -0.243 20 0 BBADLO Cc1nc(N[C@H](C)C2(CO)CC2)nc(N)[nH+]1 ZINC000631363420 411947321 /nfs/dbraw/zinc/94/73/21/411947321.db2.gz CVXRIFZCBFLJEO-ZCFIWIBFSA-N 1 2 223.280 -0.243 20 0 BBADLO Cc1nc(N)nc(N2CCC(=O)N(C)CC2)[nH+]1 ZINC000631365330 411960712 /nfs/dbraw/zinc/96/07/12/411960712.db2.gz TXMZWSFTRXJUOH-UHFFFAOYSA-N 1 2 236.279 -0.569 20 0 BBADLO Cc1nc(N2CCC(=O)N(C)CC2)nc(N)[nH+]1 ZINC000631365330 411960709 /nfs/dbraw/zinc/96/07/09/411960709.db2.gz TXMZWSFTRXJUOH-UHFFFAOYSA-N 1 2 236.279 -0.569 20 0 BBADLO Cc1nc(N)nc(N2CC[C@H](O)C(F)(F)C2)[nH+]1 ZINC000631366144 411963120 /nfs/dbraw/zinc/96/31/20/411963120.db2.gz PWKMQLXXNVRUQN-LURJTMIESA-N 1 2 245.233 -0.031 20 0 BBADLO Cc1nc(N2CC[C@H](O)C(F)(F)C2)nc(N)[nH+]1 ZINC000631366144 411963111 /nfs/dbraw/zinc/96/31/11/411963111.db2.gz PWKMQLXXNVRUQN-LURJTMIESA-N 1 2 245.233 -0.031 20 0 BBADLO Cc1nc(N)nc(N2CC[C@@H](O)C(F)(F)C2)[nH+]1 ZINC000631366553 411963188 /nfs/dbraw/zinc/96/31/88/411963188.db2.gz PWKMQLXXNVRUQN-ZCFIWIBFSA-N 1 2 245.233 -0.031 20 0 BBADLO Cc1nc(N2CC[C@@H](O)C(F)(F)C2)nc(N)[nH+]1 ZINC000631366553 411963182 /nfs/dbraw/zinc/96/31/82/411963182.db2.gz PWKMQLXXNVRUQN-ZCFIWIBFSA-N 1 2 245.233 -0.031 20 0 BBADLO Cc1nc(N)nc(N2CCC3(COC3)C2)[nH+]1 ZINC000631371426 411194867 /nfs/dbraw/zinc/19/48/67/411194867.db2.gz DIMGUEJXWJBPTM-UHFFFAOYSA-N 1 2 221.264 -0.011 20 0 BBADLO Cc1nc(N2CCC3(COC3)C2)nc(N)[nH+]1 ZINC000631371426 411194864 /nfs/dbraw/zinc/19/48/64/411194864.db2.gz DIMGUEJXWJBPTM-UHFFFAOYSA-N 1 2 221.264 -0.011 20 0 BBADLO CC(=O)N1CC[C@@H](Nc2nc(N)nc(C)[nH+]2)C1 ZINC000631380410 411194987 /nfs/dbraw/zinc/19/49/87/411194987.db2.gz WLIDEVJCVBCVNO-MRVPVSSYSA-N 1 2 236.279 -0.205 20 0 BBADLO CC(=O)N1CC[C@@H](Nc2nc(C)[nH+]c(N)n2)C1 ZINC000631380410 411194986 /nfs/dbraw/zinc/19/49/86/411194986.db2.gz WLIDEVJCVBCVNO-MRVPVSSYSA-N 1 2 236.279 -0.205 20 0 BBADLO Cc1nc(N)nc(NCCOCCF)[nH+]1 ZINC000631386708 411276654 /nfs/dbraw/zinc/27/66/54/411276654.db2.gz YGRFFCKRYYQGTN-UHFFFAOYSA-N 1 2 215.232 -0.418 20 0 BBADLO Cc1nc(NCCOCCF)nc(N)[nH+]1 ZINC000631386708 411276652 /nfs/dbraw/zinc/27/66/52/411276652.db2.gz YGRFFCKRYYQGTN-UHFFFAOYSA-N 1 2 215.232 -0.418 20 0 BBADLO Cc1nc(N)nc(NC[C@H]2C[C@@H](O)C2)[nH+]1 ZINC000631390845 411943071 /nfs/dbraw/zinc/94/30/71/411943071.db2.gz CCGPICNJQVETEM-LJGSYFOKSA-N 1 2 209.253 -0.633 20 0 BBADLO Cc1nc(NC[C@H]2C[C@@H](O)C2)nc(N)[nH+]1 ZINC000631390845 411943067 /nfs/dbraw/zinc/94/30/67/411943067.db2.gz CCGPICNJQVETEM-LJGSYFOKSA-N 1 2 209.253 -0.633 20 0 BBADLO Cc1nc(NCCN(C)CC(F)F)nc(N)[nH+]1 ZINC000631394218 411944742 /nfs/dbraw/zinc/94/47/42/411944742.db2.gz DRQUSRBLFBFOOG-UHFFFAOYSA-N 1 2 246.265 -0.207 20 0 BBADLO C[C@H](CNC(=O)Cc1nnc[nH]1)Cn1cc[nH+]c1 ZINC000631423999 372353928 /nfs/dbraw/zinc/35/39/28/372353928.db2.gz IMXIGROHXLUCFV-SECBINFHSA-N 1 2 248.290 -0.004 20 0 BBADLO C[C@H](CNC(=O)Cc1nc[nH]n1)Cn1cc[nH+]c1 ZINC000631423999 372353920 /nfs/dbraw/zinc/35/39/20/372353920.db2.gz IMXIGROHXLUCFV-SECBINFHSA-N 1 2 248.290 -0.004 20 0 BBADLO C[C@@H](CNC(=O)Cc1nnc[nH]1)Cn1cc[nH+]c1 ZINC000631424000 372354118 /nfs/dbraw/zinc/35/41/18/372354118.db2.gz IMXIGROHXLUCFV-VIFPVBQESA-N 1 2 248.290 -0.004 20 0 BBADLO C[C@@H](CNC(=O)Cc1nc[nH]n1)Cn1cc[nH+]c1 ZINC000631424000 372354108 /nfs/dbraw/zinc/35/41/08/372354108.db2.gz IMXIGROHXLUCFV-VIFPVBQESA-N 1 2 248.290 -0.004 20 0 BBADLO Cc1nc(N)nc(N[C@H]2C[C@@H](CO)C2)[nH+]1 ZINC000631429980 411968645 /nfs/dbraw/zinc/96/86/45/411968645.db2.gz NPFPZMQLDMBBKL-LJGSYFOKSA-N 1 2 209.253 -0.055 20 0 BBADLO Cc1nc(N[C@H]2C[C@@H](CO)C2)nc(N)[nH+]1 ZINC000631429980 411968643 /nfs/dbraw/zinc/96/86/43/411968643.db2.gz NPFPZMQLDMBBKL-LJGSYFOKSA-N 1 2 209.253 -0.055 20 0 BBADLO O[C@@H]1COC[C@@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000631431326 372360278 /nfs/dbraw/zinc/36/02/78/372360278.db2.gz PJHWNIKJXOHTQM-NKWVEPMBSA-N 1 2 238.247 -0.548 20 0 BBADLO O[C@@H]1COC[C@@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000631431326 372360271 /nfs/dbraw/zinc/36/02/71/372360271.db2.gz PJHWNIKJXOHTQM-NKWVEPMBSA-N 1 2 238.247 -0.548 20 0 BBADLO Cc1nc(N[C@@H]2COC[C@@H]2O)nc(N(C)C)[nH+]1 ZINC000631433520 411767881 /nfs/dbraw/zinc/76/78/81/411767881.db2.gz PVPXMFUJWRCKQR-SFYZADRCSA-N 1 2 239.279 -0.582 20 0 BBADLO Cc1nc(N(C)C)nc(N[C@@H]2COC[C@@H]2O)[nH+]1 ZINC000631433520 411767877 /nfs/dbraw/zinc/76/78/77/411767877.db2.gz PVPXMFUJWRCKQR-SFYZADRCSA-N 1 2 239.279 -0.582 20 0 BBADLO Cc1nc(N)nc(NCC[C@@H](O)C(F)F)[nH+]1 ZINC000631460715 411943757 /nfs/dbraw/zinc/94/37/57/411943757.db2.gz YDHPNOBKHXCITP-RXMQYKEDSA-N 1 2 233.222 -0.388 20 0 BBADLO Cc1nc(NCC[C@@H](O)C(F)F)nc(N)[nH+]1 ZINC000631460715 411943753 /nfs/dbraw/zinc/94/37/53/411943753.db2.gz YDHPNOBKHXCITP-RXMQYKEDSA-N 1 2 233.222 -0.388 20 0 BBADLO Cc1nc(N)nc(NCC[C@H](O)C(F)F)[nH+]1 ZINC000631460717 411934370 /nfs/dbraw/zinc/93/43/70/411934370.db2.gz YDHPNOBKHXCITP-YFKPBYRVSA-N 1 2 233.222 -0.388 20 0 BBADLO Cc1nc(NCC[C@H](O)C(F)F)nc(N)[nH+]1 ZINC000631460717 411934367 /nfs/dbraw/zinc/93/43/67/411934367.db2.gz YDHPNOBKHXCITP-YFKPBYRVSA-N 1 2 233.222 -0.388 20 0 BBADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1COCC[C@H]1O ZINC000631529319 372411608 /nfs/dbraw/zinc/41/16/08/372411608.db2.gz IHBZKFCUKSHOPV-RKDXNWHRSA-N 1 2 249.274 -0.075 20 0 BBADLO CNC(=O)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000631536746 372413846 /nfs/dbraw/zinc/41/38/46/372413846.db2.gz LUJRRUKPJNIPKM-UHFFFAOYSA-N 1 2 224.264 -0.520 20 0 BBADLO CC1(C)CN(C(=O)CCc2nn[nH]n2)CC[NH2+]1 ZINC000631610664 372459507 /nfs/dbraw/zinc/45/95/07/372459507.db2.gz IGUQUGSSONSUQG-UHFFFAOYSA-N 1 2 238.295 -0.657 20 0 BBADLO CC1(C)CN(C(=O)Cc2ncn[nH]2)CC[NH2+]1 ZINC000631610929 372459881 /nfs/dbraw/zinc/45/98/81/372459881.db2.gz NJRUPQDWQMJJPK-UHFFFAOYSA-N 1 2 223.280 -0.442 20 0 BBADLO CC(C)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631636112 372473935 /nfs/dbraw/zinc/47/39/35/372473935.db2.gz ZNCMILJBFOIIMJ-SECBINFHSA-N 1 2 236.337 -0.355 20 0 BBADLO CC(C)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631636112 372473929 /nfs/dbraw/zinc/47/39/29/372473929.db2.gz ZNCMILJBFOIIMJ-SECBINFHSA-N 1 2 236.337 -0.355 20 0 BBADLO CC(C)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631636113 372474188 /nfs/dbraw/zinc/47/41/88/372474188.db2.gz ZNCMILJBFOIIMJ-VIFPVBQESA-N 1 2 236.337 -0.355 20 0 BBADLO CC(C)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631636113 372474181 /nfs/dbraw/zinc/47/41/81/372474181.db2.gz ZNCMILJBFOIIMJ-VIFPVBQESA-N 1 2 236.337 -0.355 20 0 BBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCCC2)C1 ZINC000631637027 351337383 /nfs/dbraw/zinc/33/73/83/351337383.db2.gz PPRWXTDIAZCFAI-JTQLQIEISA-N 1 2 248.348 -0.257 20 0 BBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCCC2)C1 ZINC000631637027 351337379 /nfs/dbraw/zinc/33/73/79/351337379.db2.gz PPRWXTDIAZCFAI-JTQLQIEISA-N 1 2 248.348 -0.257 20 0 BBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCCC2)C1 ZINC000631637030 351338037 /nfs/dbraw/zinc/33/80/37/351338037.db2.gz PPRWXTDIAZCFAI-SNVBAGLBSA-N 1 2 248.348 -0.257 20 0 BBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCCC2)C1 ZINC000631637030 351338034 /nfs/dbraw/zinc/33/80/34/351338034.db2.gz PPRWXTDIAZCFAI-SNVBAGLBSA-N 1 2 248.348 -0.257 20 0 BBADLO CN(C)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631638166 351344073 /nfs/dbraw/zinc/34/40/73/351344073.db2.gz KXUJGHDKALOTFQ-MRVPVSSYSA-N 1 2 222.310 -0.792 20 0 BBADLO CN(C)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631638166 351344070 /nfs/dbraw/zinc/34/40/70/351344070.db2.gz KXUJGHDKALOTFQ-MRVPVSSYSA-N 1 2 222.310 -0.792 20 0 BBADLO CN(C)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631638167 351344201 /nfs/dbraw/zinc/34/42/01/351344201.db2.gz KXUJGHDKALOTFQ-QMMMGPOBSA-N 1 2 222.310 -0.792 20 0 BBADLO CN(C)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631638167 351344195 /nfs/dbraw/zinc/34/41/95/351344195.db2.gz KXUJGHDKALOTFQ-QMMMGPOBSA-N 1 2 222.310 -0.792 20 0 BBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NCC2CC2)C1 ZINC000631704896 372515002 /nfs/dbraw/zinc/51/50/02/372515002.db2.gz UATIGUGYPNKUKA-JTQLQIEISA-N 1 2 248.348 -0.354 20 0 BBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NCC2CC2)C1 ZINC000631704896 372515000 /nfs/dbraw/zinc/51/50/00/372515000.db2.gz UATIGUGYPNKUKA-JTQLQIEISA-N 1 2 248.348 -0.354 20 0 BBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NCC2CC2)C1 ZINC000631704897 372515171 /nfs/dbraw/zinc/51/51/71/372515171.db2.gz UATIGUGYPNKUKA-SNVBAGLBSA-N 1 2 248.348 -0.354 20 0 BBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NCC2CC2)C1 ZINC000631704897 372515167 /nfs/dbraw/zinc/51/51/67/372515167.db2.gz UATIGUGYPNKUKA-SNVBAGLBSA-N 1 2 248.348 -0.354 20 0 BBADLO CN(C1CC1)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631728244 372525500 /nfs/dbraw/zinc/52/55/00/372525500.db2.gz YLDCBNPJKGMPLL-JTQLQIEISA-N 1 2 248.348 -0.259 20 0 BBADLO CN(C1CC1)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631728244 372525493 /nfs/dbraw/zinc/52/54/93/372525493.db2.gz YLDCBNPJKGMPLL-JTQLQIEISA-N 1 2 248.348 -0.259 20 0 BBADLO CN(C1CC1)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631728245 372525728 /nfs/dbraw/zinc/52/57/28/372525728.db2.gz YLDCBNPJKGMPLL-SNVBAGLBSA-N 1 2 248.348 -0.259 20 0 BBADLO CN(C1CC1)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631728245 372525722 /nfs/dbraw/zinc/52/57/22/372525722.db2.gz YLDCBNPJKGMPLL-SNVBAGLBSA-N 1 2 248.348 -0.259 20 0 BBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)NC)CC1 ZINC000631757462 372561525 /nfs/dbraw/zinc/56/15/25/372561525.db2.gz ZAVFIFZUMYDRJP-UHFFFAOYSA-N 1 2 242.323 -0.530 20 0 BBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)NC)CC1 ZINC000631757462 372561520 /nfs/dbraw/zinc/56/15/20/372561520.db2.gz ZAVFIFZUMYDRJP-UHFFFAOYSA-N 1 2 242.323 -0.530 20 0 BBADLO Cc1nocc1S(=O)(=O)N[C@@H]1CC[N@H+](C)C1 ZINC000631785984 372573563 /nfs/dbraw/zinc/57/35/63/372573563.db2.gz QEDMCMIYTPYVBA-MRVPVSSYSA-N 1 2 245.304 -0.035 20 0 BBADLO Cc1nocc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)C1 ZINC000631785984 372573559 /nfs/dbraw/zinc/57/35/59/372573559.db2.gz QEDMCMIYTPYVBA-MRVPVSSYSA-N 1 2 245.304 -0.035 20 0 BBADLO Cc1nocc1S(=O)(=O)N[C@H]1CC[N@H+](C)C1 ZINC000631785985 372573659 /nfs/dbraw/zinc/57/36/59/372573659.db2.gz QEDMCMIYTPYVBA-QMMMGPOBSA-N 1 2 245.304 -0.035 20 0 BBADLO Cc1nocc1S(=O)(=O)N[C@H]1CC[N@@H+](C)C1 ZINC000631785985 372573656 /nfs/dbraw/zinc/57/36/56/372573656.db2.gz QEDMCMIYTPYVBA-QMMMGPOBSA-N 1 2 245.304 -0.035 20 0 BBADLO O=c1cc(CN2C[C@@H]3C[C@H]2C[NH2+]3)nc2cc[nH]n21 ZINC000631850270 372648519 /nfs/dbraw/zinc/64/85/19/372648519.db2.gz LOCDIJXQQOREON-WPRPVWTQSA-N 1 2 245.286 -0.431 20 0 BBADLO C[C@@H]1C[C@H]([NH3+])CN1Cc1cc(=O)n2[nH]ccc2n1 ZINC000631858559 372657735 /nfs/dbraw/zinc/65/77/35/372657735.db2.gz AOYQTMJSTYEMNT-BDAKNGLRSA-N 1 2 247.302 -0.056 20 0 BBADLO C[C@H]1C[C@@H]([NH3+])CN1Cc1cc(=O)n2[nH]ccc2n1 ZINC000631858560 372657831 /nfs/dbraw/zinc/65/78/31/372657831.db2.gz AOYQTMJSTYEMNT-DTWKUNHWSA-N 1 2 247.302 -0.056 20 0 BBADLO C[C@H]1C[C@H]([NH3+])CN1Cc1cc(=O)n2[nH]ccc2n1 ZINC000631858561 372658178 /nfs/dbraw/zinc/65/81/78/372658178.db2.gz AOYQTMJSTYEMNT-IUCAKERBSA-N 1 2 247.302 -0.056 20 0 BBADLO C[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(=O)n2[nH]ccc2n1 ZINC000631858562 369443259 /nfs/dbraw/zinc/44/32/59/369443259.db2.gz AOYQTMJSTYEMNT-RKDXNWHRSA-N 1 2 247.302 -0.056 20 0 BBADLO CCN(C)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631879523 372678474 /nfs/dbraw/zinc/67/84/74/372678474.db2.gz ZWDBRMMGOJLHOP-SECBINFHSA-N 1 2 236.337 -0.402 20 0 BBADLO CCN(C)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631879523 372678470 /nfs/dbraw/zinc/67/84/70/372678470.db2.gz ZWDBRMMGOJLHOP-SECBINFHSA-N 1 2 236.337 -0.402 20 0 BBADLO CCN(C)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631879524 372678434 /nfs/dbraw/zinc/67/84/34/372678434.db2.gz ZWDBRMMGOJLHOP-VIFPVBQESA-N 1 2 236.337 -0.402 20 0 BBADLO CCN(C)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631879524 372678432 /nfs/dbraw/zinc/67/84/32/372678432.db2.gz ZWDBRMMGOJLHOP-VIFPVBQESA-N 1 2 236.337 -0.402 20 0 BBADLO CNC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000632021068 372727455 /nfs/dbraw/zinc/72/74/55/372727455.db2.gz YDOKARAGDNJJPV-SECBINFHSA-N 1 2 214.313 -0.449 20 0 BBADLO CNC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000632021069 372727422 /nfs/dbraw/zinc/72/74/22/372727422.db2.gz YDOKARAGDNJJPV-VIFPVBQESA-N 1 2 214.313 -0.449 20 0 BBADLO O=C(CCc1cnn[nH]1)NCC[NH+]1CCC1 ZINC000632060145 372742728 /nfs/dbraw/zinc/74/27/28/372742728.db2.gz CURDJWCEJNVWKO-UHFFFAOYSA-N 1 2 223.280 -0.441 20 0 BBADLO CC[N@H+]1CCN(C(=O)Cc2ncn[nH]2)C[C@H]1C ZINC000632093890 372758461 /nfs/dbraw/zinc/75/84/61/372758461.db2.gz ZJMXQFIGFPZAOZ-SECBINFHSA-N 1 2 237.307 -0.100 20 0 BBADLO CC[N@@H+]1CCN(C(=O)Cc2ncn[nH]2)C[C@H]1C ZINC000632093890 372758455 /nfs/dbraw/zinc/75/84/55/372758455.db2.gz ZJMXQFIGFPZAOZ-SECBINFHSA-N 1 2 237.307 -0.100 20 0 BBADLO CC[N@H+]1CCN(C(=O)Cc2ncn[nH]2)C[C@@H]1C ZINC000632093891 372757768 /nfs/dbraw/zinc/75/77/68/372757768.db2.gz ZJMXQFIGFPZAOZ-VIFPVBQESA-N 1 2 237.307 -0.100 20 0 BBADLO CC[N@@H+]1CCN(C(=O)Cc2ncn[nH]2)C[C@@H]1C ZINC000632093891 372757765 /nfs/dbraw/zinc/75/77/65/372757765.db2.gz ZJMXQFIGFPZAOZ-VIFPVBQESA-N 1 2 237.307 -0.100 20 0 BBADLO O=S(=O)(NCC[NH+]1CCC1)c1ncc[nH]1 ZINC000632134728 372773659 /nfs/dbraw/zinc/77/36/59/372773659.db2.gz TZNPZSJZNHCICX-UHFFFAOYSA-N 1 2 230.293 -0.606 20 0 BBADLO COCCN(C)S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000632142632 342890660 /nfs/dbraw/zinc/89/06/60/342890660.db2.gz GKQFGXBCXTYEHC-UHFFFAOYSA-N 1 2 248.308 -0.678 20 0 BBADLO CO[C@H](C)CS(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000632142919 372778451 /nfs/dbraw/zinc/77/84/51/372778451.db2.gz KPNQHFIMPAHACO-SSDOTTSWSA-N 1 2 233.293 -0.136 20 0 BBADLO CO[C@@H](C)CS(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000632142920 372779228 /nfs/dbraw/zinc/77/92/28/372779228.db2.gz KPNQHFIMPAHACO-ZETCQYMHSA-N 1 2 233.293 -0.136 20 0 BBADLO CN(C1CC1)S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000632143071 372778481 /nfs/dbraw/zinc/77/84/81/372778481.db2.gz MSVXSKKGPJLOHE-UHFFFAOYSA-N 1 2 230.293 -0.162 20 0 BBADLO O=S(=O)(NCc1[nH]cc[nH+]1)C1COC1 ZINC000632143601 372780553 /nfs/dbraw/zinc/78/05/53/372780553.db2.gz YMHQPUXUHNZCLO-UHFFFAOYSA-N 1 2 217.250 -0.772 20 0 BBADLO O=S(=O)(NCc1[nH]cc[nH+]1)N1CCC1 ZINC000632144072 372780533 /nfs/dbraw/zinc/78/05/33/372780533.db2.gz NLTIMGUXABXQRO-UHFFFAOYSA-N 1 2 216.266 -0.550 20 0 BBADLO Cn1ccc(S(=O)(=O)NCc2[nH]cc[nH+]2)n1 ZINC000632144077 372780620 /nfs/dbraw/zinc/78/06/20/372780620.db2.gz NTADFDRUNJLFLO-UHFFFAOYSA-N 1 2 241.276 -0.378 20 0 BBADLO CC(C)NC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000632165452 372788112 /nfs/dbraw/zinc/78/81/12/372788112.db2.gz GQARXHKVMVCKBX-UHFFFAOYSA-N 1 2 242.323 -0.484 20 0 BBADLO CC(C)NC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000632165452 372788104 /nfs/dbraw/zinc/78/81/04/372788104.db2.gz GQARXHKVMVCKBX-UHFFFAOYSA-N 1 2 242.323 -0.484 20 0 BBADLO C[NH+](C)C1CN(C(=O)Cc2ncn[nH]2)C1 ZINC000632192138 372801067 /nfs/dbraw/zinc/80/10/67/372801067.db2.gz TZDAMKADEZYXNG-UHFFFAOYSA-N 1 2 209.253 -0.880 20 0 BBADLO CCC(=O)CNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632220534 372812886 /nfs/dbraw/zinc/81/28/86/372812886.db2.gz DRPPSIBADXPBDO-UHFFFAOYSA-N 1 2 248.348 -0.021 20 0 BBADLO C[N@H+]1CCN(C(=O)Cc2ncn[nH]2)C(C)(C)C1 ZINC000632229027 343948259 /nfs/dbraw/zinc/94/82/59/343948259.db2.gz PSGMPBRTVMTYJF-UHFFFAOYSA-N 1 2 237.307 -0.100 20 0 BBADLO C[N@@H+]1CCN(C(=O)Cc2ncn[nH]2)C(C)(C)C1 ZINC000632229027 343948258 /nfs/dbraw/zinc/94/82/58/343948258.db2.gz PSGMPBRTVMTYJF-UHFFFAOYSA-N 1 2 237.307 -0.100 20 0 BBADLO C[C@@H]1CN(C(=O)Cc2ncn[nH]2)[C@@H](C)C[N@H+]1C ZINC000632254012 372836303 /nfs/dbraw/zinc/83/63/03/372836303.db2.gz HPDXQGBCBJJWIY-BDAKNGLRSA-N 1 2 237.307 -0.102 20 0 BBADLO C[C@@H]1CN(C(=O)Cc2ncn[nH]2)[C@@H](C)C[N@@H+]1C ZINC000632254012 372836294 /nfs/dbraw/zinc/83/62/94/372836294.db2.gz HPDXQGBCBJJWIY-BDAKNGLRSA-N 1 2 237.307 -0.102 20 0 BBADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cc1ncn[nH]1 ZINC000632254013 372836035 /nfs/dbraw/zinc/83/60/35/372836035.db2.gz HPDXQGBCBJJWIY-DTWKUNHWSA-N 1 2 237.307 -0.102 20 0 BBADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1ncn[nH]1 ZINC000632254013 372836030 /nfs/dbraw/zinc/83/60/30/372836030.db2.gz HPDXQGBCBJJWIY-DTWKUNHWSA-N 1 2 237.307 -0.102 20 0 BBADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cc1ncn[nH]1 ZINC000632254014 372836095 /nfs/dbraw/zinc/83/60/95/372836095.db2.gz HPDXQGBCBJJWIY-IUCAKERBSA-N 1 2 237.307 -0.102 20 0 BBADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1ncn[nH]1 ZINC000632254014 372836090 /nfs/dbraw/zinc/83/60/90/372836090.db2.gz HPDXQGBCBJJWIY-IUCAKERBSA-N 1 2 237.307 -0.102 20 0 BBADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)Cc1ncn[nH]1 ZINC000632254015 372835948 /nfs/dbraw/zinc/83/59/48/372835948.db2.gz HPDXQGBCBJJWIY-RKDXNWHRSA-N 1 2 237.307 -0.102 20 0 BBADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)Cc1ncn[nH]1 ZINC000632254015 372835945 /nfs/dbraw/zinc/83/59/45/372835945.db2.gz HPDXQGBCBJJWIY-RKDXNWHRSA-N 1 2 237.307 -0.102 20 0 BBADLO C[C@@H]1[C@H](C)N(C(=O)Cc2ncn[nH]2)CC[N@@H+]1C ZINC000632276150 372852319 /nfs/dbraw/zinc/85/23/19/372852319.db2.gz ZODORSGPCZJYQE-BDAKNGLRSA-N 1 2 237.307 -0.102 20 0 BBADLO C[C@@H]1[C@H](C)N(C(=O)Cc2ncn[nH]2)CC[N@H+]1C ZINC000632276150 372852312 /nfs/dbraw/zinc/85/23/12/372852312.db2.gz ZODORSGPCZJYQE-BDAKNGLRSA-N 1 2 237.307 -0.102 20 0 BBADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cc1ncn[nH]1 ZINC000632276151 372852644 /nfs/dbraw/zinc/85/26/44/372852644.db2.gz ZODORSGPCZJYQE-DTWKUNHWSA-N 1 2 237.307 -0.102 20 0 BBADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1ncn[nH]1 ZINC000632276151 372852640 /nfs/dbraw/zinc/85/26/40/372852640.db2.gz ZODORSGPCZJYQE-DTWKUNHWSA-N 1 2 237.307 -0.102 20 0 BBADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cc1ncn[nH]1 ZINC000632276152 372853262 /nfs/dbraw/zinc/85/32/62/372853262.db2.gz ZODORSGPCZJYQE-IUCAKERBSA-N 1 2 237.307 -0.102 20 0 BBADLO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1ncn[nH]1 ZINC000632276152 372853257 /nfs/dbraw/zinc/85/32/57/372853257.db2.gz ZODORSGPCZJYQE-IUCAKERBSA-N 1 2 237.307 -0.102 20 0 BBADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Cc1ncn[nH]1 ZINC000632276153 372853124 /nfs/dbraw/zinc/85/31/24/372853124.db2.gz ZODORSGPCZJYQE-RKDXNWHRSA-N 1 2 237.307 -0.102 20 0 BBADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Cc1ncn[nH]1 ZINC000632276153 372853119 /nfs/dbraw/zinc/85/31/19/372853119.db2.gz 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/nfs/dbraw/zinc/89/67/84/372896784.db2.gz LIPPGKVHLIZKEI-UHFFFAOYSA-N 1 2 248.348 -0.400 20 0 BBADLO CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000632414261 372926926 /nfs/dbraw/zinc/92/69/26/372926926.db2.gz VUWMPOQPHRAUPY-DTORHVGOSA-N 1 2 213.281 -0.221 20 0 BBADLO CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000632414261 372926918 /nfs/dbraw/zinc/92/69/18/372926918.db2.gz VUWMPOQPHRAUPY-DTORHVGOSA-N 1 2 213.281 -0.221 20 0 BBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NC2CCC2)C1 ZINC000632431665 372939568 /nfs/dbraw/zinc/93/95/68/372939568.db2.gz NQJVLBGWZCSEEB-JTQLQIEISA-N 1 2 248.348 -0.211 20 0 BBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NC2CCC2)C1 ZINC000632431665 372939564 /nfs/dbraw/zinc/93/95/64/372939564.db2.gz NQJVLBGWZCSEEB-JTQLQIEISA-N 1 2 248.348 -0.211 20 0 BBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NC2CCC2)C1 ZINC000632431666 372939514 /nfs/dbraw/zinc/93/95/14/372939514.db2.gz NQJVLBGWZCSEEB-SNVBAGLBSA-N 1 2 248.348 -0.211 20 0 BBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC2CCC2)C1 ZINC000632431666 372939509 /nfs/dbraw/zinc/93/95/09/372939509.db2.gz NQJVLBGWZCSEEB-SNVBAGLBSA-N 1 2 248.348 -0.211 20 0 BBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CC=CC2)C1 ZINC000632445301 372950517 /nfs/dbraw/zinc/95/05/17/372950517.db2.gz YWAHYOZOFZGWER-JTQLQIEISA-N 1 2 246.332 -0.481 20 0 BBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CC=CC2)C1 ZINC000632445301 372950512 /nfs/dbraw/zinc/95/05/12/372950512.db2.gz YWAHYOZOFZGWER-JTQLQIEISA-N 1 2 246.332 -0.481 20 0 BBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CC=CC2)C1 ZINC000632445302 372949526 /nfs/dbraw/zinc/94/95/26/372949526.db2.gz YWAHYOZOFZGWER-SNVBAGLBSA-N 1 2 246.332 -0.481 20 0 BBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CC=CC2)C1 ZINC000632445302 372949518 /nfs/dbraw/zinc/94/95/18/372949518.db2.gz YWAHYOZOFZGWER-SNVBAGLBSA-N 1 2 246.332 -0.481 20 0 BBADLO CN(Cc1c[nH]c[nH+]1)S(=O)(=O)c1ncc[nH]1 ZINC000632543526 372998008 /nfs/dbraw/zinc/99/80/08/372998008.db2.gz DZIDEFAOXCDRSZ-UHFFFAOYSA-N 1 2 241.276 -0.047 20 0 BBADLO CN(Cc1c[nH+]c[nH]1)S(=O)(=O)c1ncc[nH]1 ZINC000632543526 372998001 /nfs/dbraw/zinc/99/80/01/372998001.db2.gz DZIDEFAOXCDRSZ-UHFFFAOYSA-N 1 2 241.276 -0.047 20 0 BBADLO CN(CC1C[NH+](C)C1)S(=O)(=O)c1ncc[nH]1 ZINC000632555072 373005284 /nfs/dbraw/zinc/00/52/84/373005284.db2.gz WTCLTZXGCOAZRN-UHFFFAOYSA-N 1 2 244.320 -0.408 20 0 BBADLO CC(C)[NH+]1CC(NC(=O)CCc2cnn[nH]2)C1 ZINC000632565739 373006881 /nfs/dbraw/zinc/00/68/81/373006881.db2.gz BKQUMKWGBMFURZ-UHFFFAOYSA-N 1 2 237.307 -0.054 20 0 BBADLO CC(C)[NH+]1CC(NC(=O)CCc2c[nH]nn2)C1 ZINC000632565739 373006880 /nfs/dbraw/zinc/00/68/80/373006880.db2.gz BKQUMKWGBMFURZ-UHFFFAOYSA-N 1 2 237.307 -0.054 20 0 BBADLO CC(C)[NH+]1CC(NC(=O)CCc2cn[nH]n2)C1 ZINC000632565739 373006878 /nfs/dbraw/zinc/00/68/78/373006878.db2.gz BKQUMKWGBMFURZ-UHFFFAOYSA-N 1 2 237.307 -0.054 20 0 BBADLO CC(C)[NH+]1CC(NC(=O)CCc2nn[nH]n2)C1 ZINC000632566120 373006497 /nfs/dbraw/zinc/00/64/97/373006497.db2.gz PMLRGQRPZJYWBR-UHFFFAOYSA-N 1 2 238.295 -0.659 20 0 BBADLO CC(C)[NH+]1CC(NC(=O)Cc2nnc[nH]2)C1 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239.275 -0.290 20 0 BBADLO C[C@H](CC(=O)N[C@@H]1COC[C@@H]1O)n1cc[nH+]c1 ZINC000633858005 373821489 /nfs/dbraw/zinc/82/14/89/373821489.db2.gz SXLCMVAEDOSPMJ-BBBLOLIVSA-N 1 2 239.275 -0.290 20 0 BBADLO C[C@@H]1C[C@H](O)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000633870408 373827848 /nfs/dbraw/zinc/82/78/48/373827848.db2.gz WVKGLJZRAOGMIH-GMTAPVOTSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1C[C@H](O)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000633870408 373827840 /nfs/dbraw/zinc/82/78/40/373827840.db2.gz WVKGLJZRAOGMIH-GMTAPVOTSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1C[C@H](O)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000633870409 373828373 /nfs/dbraw/zinc/82/83/73/373828373.db2.gz WVKGLJZRAOGMIH-MXWKQRLJSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1C[C@H](O)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000633870409 373828368 /nfs/dbraw/zinc/82/83/68/373828368.db2.gz WVKGLJZRAOGMIH-MXWKQRLJSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H](C(=O)N1CCS(=O)(=O)[C@@H](C)C1)[NH+](C)C ZINC000633892822 373833797 /nfs/dbraw/zinc/83/37/97/373833797.db2.gz IZOPHJLNMITRBN-IUCAKERBSA-N 1 2 248.348 -0.418 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)NC2(C)COC2)C1 ZINC000634191019 374005946 /nfs/dbraw/zinc/00/59/46/374005946.db2.gz ZDXGLRIDTWQZDV-MRVPVSSYSA-N 1 2 214.265 -0.778 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)NC2(C)COC2)C1 ZINC000634191019 374005943 /nfs/dbraw/zinc/00/59/43/374005943.db2.gz ZDXGLRIDTWQZDV-MRVPVSSYSA-N 1 2 214.265 -0.778 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)NC2(C)COC2)C1 ZINC000634191020 374005724 /nfs/dbraw/zinc/00/57/24/374005724.db2.gz ZDXGLRIDTWQZDV-QMMMGPOBSA-N 1 2 214.265 -0.778 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)NC2(C)COC2)C1 ZINC000634191020 374005719 /nfs/dbraw/zinc/00/57/19/374005719.db2.gz ZDXGLRIDTWQZDV-QMMMGPOBSA-N 1 2 214.265 -0.778 20 0 BBADLO Cn1c[nH+]cc1CC(=O)NC1(C)COC1 ZINC000634191582 374007633 /nfs/dbraw/zinc/00/76/33/374007633.db2.gz JSVIRFRAJIXRBB-UHFFFAOYSA-N 1 2 209.249 -0.132 20 0 BBADLO N[C@@]1(C(=O)NCC[NH+]2CCOCC2)CC1(F)F ZINC000634250988 374051392 /nfs/dbraw/zinc/05/13/92/374051392.db2.gz XSECLDLMJOUJGJ-SECBINFHSA-N 1 2 249.261 -0.829 20 0 BBADLO N[C@]1(C(=O)NCC[NH+]2CCOCC2)CC1(F)F ZINC000634250989 374050452 /nfs/dbraw/zinc/05/04/52/374050452.db2.gz XSECLDLMJOUJGJ-VIFPVBQESA-N 1 2 249.261 -0.829 20 0 BBADLO O=C(NC1COC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000634254846 374055925 /nfs/dbraw/zinc/05/59/25/374055925.db2.gz GBGYRKASTSUNNU-MRVPVSSYSA-N 1 2 221.260 -0.040 20 0 BBADLO O=C(NC1COC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000634254849 374056060 /nfs/dbraw/zinc/05/60/60/374056060.db2.gz GBGYRKASTSUNNU-QMMMGPOBSA-N 1 2 221.260 -0.040 20 0 BBADLO O=C(NC1COC1)C1([NH+]2CCOCC2)CCC1 ZINC000634256640 374061731 /nfs/dbraw/zinc/06/17/31/374061731.db2.gz HICWZWXZQYCLHI-UHFFFAOYSA-N 1 2 240.303 -0.244 20 0 BBADLO O=C(NC1COC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000634256714 361117942 /nfs/dbraw/zinc/11/79/42/361117942.db2.gz IZAGAAAXHUICLZ-MRVPVSSYSA-N 1 2 221.260 -0.040 20 0 BBADLO O=C(NC1COC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000634256717 361117618 /nfs/dbraw/zinc/11/76/18/361117618.db2.gz IZAGAAAXHUICLZ-QMMMGPOBSA-N 1 2 221.260 -0.040 20 0 BBADLO O=C(NC1COC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000634257389 361124544 /nfs/dbraw/zinc/12/45/44/361124544.db2.gz ZMNLZRZEESGMJL-MRVPVSSYSA-N 1 2 221.260 -0.040 20 0 BBADLO O=C(NC1COC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000634257390 361124504 /nfs/dbraw/zinc/12/45/04/361124504.db2.gz ZMNLZRZEESGMJL-QMMMGPOBSA-N 1 2 221.260 -0.040 20 0 BBADLO CN(C)[C@H](C(=O)NC1COC1)c1c[nH+]cn1C ZINC000634258347 374068532 /nfs/dbraw/zinc/06/85/32/374068532.db2.gz KQORGAVOBMLBOS-JTQLQIEISA-N 1 2 238.291 -0.462 20 0 BBADLO CN(C)[C@@H](C(=O)NC1COC1)c1c[nH+]cn1C ZINC000634258359 374068403 /nfs/dbraw/zinc/06/84/03/374068403.db2.gz KQORGAVOBMLBOS-SNVBAGLBSA-N 1 2 238.291 -0.462 20 0 BBADLO Cn1c[nH+]cc1CCC(=O)NC1COC1 ZINC000634259724 374073622 /nfs/dbraw/zinc/07/36/22/374073622.db2.gz VULGXBKXXPKADT-UHFFFAOYSA-N 1 2 209.249 -0.132 20 0 BBADLO CC(C)(C(=O)NC1COC1)[NH+]1CCOCC1 ZINC000634259774 361146650 /nfs/dbraw/zinc/14/66/50/361146650.db2.gz XMRRLMDDWRKXER-UHFFFAOYSA-N 1 2 228.292 -0.388 20 0 BBADLO O=C(NC1COC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000634259831 374073350 /nfs/dbraw/zinc/07/33/50/374073350.db2.gz WWINDYDVPLJPAB-MRVPVSSYSA-N 1 2 221.260 -0.040 20 0 BBADLO O=C(NC1COC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000634259833 374073219 /nfs/dbraw/zinc/07/32/19/374073219.db2.gz WWINDYDVPLJPAB-QMMMGPOBSA-N 1 2 221.260 -0.040 20 0 BBADLO C[NH+]1CCN(C(=O)[C@]2(N)CC2(F)F)CC1 ZINC000634275475 374088464 /nfs/dbraw/zinc/08/84/64/374088464.db2.gz HHSXFSJPHCTAPW-MRVPVSSYSA-N 1 2 219.235 -0.503 20 0 BBADLO C[NH+]1CCN(C(=O)[C@@]2(N)CC2(F)F)CC1 ZINC000634275476 374088490 /nfs/dbraw/zinc/08/84/90/374088490.db2.gz HHSXFSJPHCTAPW-QMMMGPOBSA-N 1 2 219.235 -0.503 20 0 BBADLO N[C@@]1(C(=O)NCCn2cc[nH+]c2)CC1(F)F ZINC000634276608 374087944 /nfs/dbraw/zinc/08/79/44/374087944.db2.gz PLZAOYINFDKDCA-MRVPVSSYSA-N 1 2 230.218 -0.264 20 0 BBADLO N[C@]1(C(=O)NCCn2cc[nH+]c2)CC1(F)F ZINC000634276609 374088801 /nfs/dbraw/zinc/08/88/01/374088801.db2.gz PLZAOYINFDKDCA-QMMMGPOBSA-N 1 2 230.218 -0.264 20 0 BBADLO Cc1[nH]c(C(=O)N[C@@H]2COCC[C@H]2O)c[nH+]1 ZINC000634462392 374262375 /nfs/dbraw/zinc/26/23/75/374262375.db2.gz LXNYDJDTTSLMND-RKDXNWHRSA-N 1 2 225.248 -0.402 20 0 BBADLO CC1(C)C[NH+](CC(=O)N[C@@H]2COCC[C@H]2O)C1 ZINC000634465830 361985708 /nfs/dbraw/zinc/98/57/08/361985708.db2.gz SKUQAEUPBOREFM-NXEZZACHSA-N 1 2 242.319 -0.406 20 0 BBADLO CC(=O)Nc1c(C)[nH]n(CC[NH+](C)C)c1=O ZINC000634589653 342936512 /nfs/dbraw/zinc/93/65/12/342936512.db2.gz DSTZSQCPKMPMAA-SECBINFHSA-N 1 2 226.280 -0.729 20 0 BBADLO CC(=O)N[C@@H]1C(C)=NN(CC[NH+](C)C)C1=O ZINC000634589653 342936510 /nfs/dbraw/zinc/93/65/10/342936510.db2.gz DSTZSQCPKMPMAA-SECBINFHSA-N 1 2 226.280 -0.729 20 0 BBADLO CC(=O)Nc1c(C)[nH]n(CC[NH+](C)C)c1=O ZINC000634589654 342936778 /nfs/dbraw/zinc/93/67/78/342936778.db2.gz DSTZSQCPKMPMAA-VIFPVBQESA-N 1 2 226.280 -0.729 20 0 BBADLO CC(=O)N[C@H]1C(C)=NN(CC[NH+](C)C)C1=O ZINC000634589654 342936776 /nfs/dbraw/zinc/93/67/76/342936776.db2.gz DSTZSQCPKMPMAA-VIFPVBQESA-N 1 2 226.280 -0.729 20 0 BBADLO O=c1c2c([nH]n1C[C@H]1CCCO1)CC[NH2+]C2 ZINC000634599065 537834411 /nfs/dbraw/zinc/83/44/11/537834411.db2.gz ZYLRPGDFWLCWRU-BDAKNGLRSA-N 1 2 223.276 -0.027 20 0 BBADLO O=c1c2c([nH]n1C[C@@H]1CCCO1)CC[NH2+]C2 ZINC000634599066 537833715 /nfs/dbraw/zinc/83/37/15/537833715.db2.gz ZYLRPGDFWLCWRU-DTWKUNHWSA-N 1 2 223.276 -0.027 20 0 BBADLO O=c1c2c([nH]n1C[C@@H]1CCCO1)CC[NH2+]C2 ZINC000634599067 537833997 /nfs/dbraw/zinc/83/39/97/537833997.db2.gz ZYLRPGDFWLCWRU-IUCAKERBSA-N 1 2 223.276 -0.027 20 0 BBADLO O=c1c2c([nH]n1C[C@H]1CCCO1)CC[NH2+]C2 ZINC000634599068 537834363 /nfs/dbraw/zinc/83/43/63/537834363.db2.gz ZYLRPGDFWLCWRU-RKDXNWHRSA-N 1 2 223.276 -0.027 20 0 BBADLO COC[C@@H](C)n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634611424 343008570 /nfs/dbraw/zinc/00/85/70/343008570.db2.gz UZXKCUXBANLZGD-HTQZYQBOSA-N 1 2 211.265 -0.171 20 0 BBADLO COC[C@H](C)n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634611425 343008617 /nfs/dbraw/zinc/00/86/17/343008617.db2.gz UZXKCUXBANLZGD-JGVFFNPUSA-N 1 2 211.265 -0.171 20 0 BBADLO COC[C@@H](C)n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634611426 343008605 /nfs/dbraw/zinc/00/86/05/343008605.db2.gz UZXKCUXBANLZGD-SFYZADRCSA-N 1 2 211.265 -0.171 20 0 BBADLO COC[C@H](C)n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634611427 343008517 /nfs/dbraw/zinc/00/85/17/343008517.db2.gz UZXKCUXBANLZGD-YUMQZZPRSA-N 1 2 211.265 -0.171 20 0 BBADLO O=c1c2c([nH]n1[C@@H]1CCCOC1)CC[NH2+]C2 ZINC000634622670 343023308 /nfs/dbraw/zinc/02/33/08/343023308.db2.gz LSHNIZFZNRRXJV-BDAKNGLRSA-N 1 2 223.276 -0.027 20 0 BBADLO O=c1c2c([nH]n1[C@H]1CCCOC1)CC[NH2+]C2 ZINC000634622671 343023412 /nfs/dbraw/zinc/02/34/12/343023412.db2.gz LSHNIZFZNRRXJV-DTWKUNHWSA-N 1 2 223.276 -0.027 20 0 BBADLO O=c1c2c([nH]n1[C@H]1CCCOC1)CC[NH2+]C2 ZINC000634622672 343023086 /nfs/dbraw/zinc/02/30/86/343023086.db2.gz LSHNIZFZNRRXJV-IUCAKERBSA-N 1 2 223.276 -0.027 20 0 BBADLO O=c1c2c([nH]n1[C@@H]1CCCOC1)CC[NH2+]C2 ZINC000634622673 343023319 /nfs/dbraw/zinc/02/33/19/343023319.db2.gz LSHNIZFZNRRXJV-RKDXNWHRSA-N 1 2 223.276 -0.027 20 0 BBADLO Cn1cc(-n2[nH]c3c(c2=O)C[NH2+]CC3)cn1 ZINC000634623234 343027085 /nfs/dbraw/zinc/02/70/85/343027085.db2.gz ABXBEVMBMBIBPP-MRVPVSSYSA-N 1 2 219.248 -0.268 20 0 BBADLO Cn1cc(-n2[nH]c3c(c2=O)C[NH2+]CC3)cn1 ZINC000634623235 343027010 /nfs/dbraw/zinc/02/70/10/343027010.db2.gz ABXBEVMBMBIBPP-QMMMGPOBSA-N 1 2 219.248 -0.268 20 0 BBADLO COCCCn1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634626098 343031150 /nfs/dbraw/zinc/03/11/50/343031150.db2.gz XBLSZQZXIZCCNW-MRVPVSSYSA-N 1 2 211.265 -0.169 20 0 BBADLO COCCCn1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634626099 343030945 /nfs/dbraw/zinc/03/09/45/343030945.db2.gz XBLSZQZXIZCCNW-QMMMGPOBSA-N 1 2 211.265 -0.169 20 0 BBADLO CC(C)(CO)Cn1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634627300 343037094 /nfs/dbraw/zinc/03/70/94/343037094.db2.gz ZPOIEGQSNGTCDW-MRVPVSSYSA-N 1 2 225.292 -0.187 20 0 BBADLO CC(C)(CO)Cn1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634627301 343036949 /nfs/dbraw/zinc/03/69/49/343036949.db2.gz ZPOIEGQSNGTCDW-QMMMGPOBSA-N 1 2 225.292 -0.187 20 0 BBADLO CC[C@@H](O)Cn1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634627667 343033484 /nfs/dbraw/zinc/03/34/84/343033484.db2.gz IHKODDILMSGGGU-HTQZYQBOSA-N 1 2 211.265 -0.435 20 0 BBADLO CC[C@H](O)Cn1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634627668 343033724 /nfs/dbraw/zinc/03/37/24/343033724.db2.gz IHKODDILMSGGGU-JGVFFNPUSA-N 1 2 211.265 -0.435 20 0 BBADLO CC[C@@H](O)Cn1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634627669 343033570 /nfs/dbraw/zinc/03/35/70/343033570.db2.gz IHKODDILMSGGGU-SFYZADRCSA-N 1 2 211.265 -0.435 20 0 BBADLO CC[C@H](O)Cn1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634627670 343033682 /nfs/dbraw/zinc/03/36/82/343033682.db2.gz IHKODDILMSGGGU-YUMQZZPRSA-N 1 2 211.265 -0.435 20 0 BBADLO O=c1c2c([nH]n1[C@@H]1CCC[C@H]1O)CC[NH2+]C2 ZINC000634632832 343044432 /nfs/dbraw/zinc/04/44/32/343044432.db2.gz BMKOILQWAFONIU-FXBDTBDDSA-N 1 2 223.276 -0.293 20 0 BBADLO O=c1c2c([nH]n1[C@@H]1CCC[C@H]1O)CC[NH2+]C2 ZINC000634632833 343044435 /nfs/dbraw/zinc/04/44/35/343044435.db2.gz BMKOILQWAFONIU-SZEHBUNVSA-N 1 2 223.276 -0.293 20 0 BBADLO CC(C)(O)Cn1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634635179 343047733 /nfs/dbraw/zinc/04/77/33/343047733.db2.gz YBVKIJOWQKDJAA-SSDOTTSWSA-N 1 2 211.265 -0.435 20 0 BBADLO CC(C)(O)Cn1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634635180 343047650 /nfs/dbraw/zinc/04/76/50/343047650.db2.gz YBVKIJOWQKDJAA-ZETCQYMHSA-N 1 2 211.265 -0.435 20 0 BBADLO COCC(COC)n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634635786 343050016 /nfs/dbraw/zinc/05/00/16/343050016.db2.gz NBKOYQYBMXROKS-SECBINFHSA-N 1 2 241.291 -0.545 20 0 BBADLO COCC(COC)n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634635787 343049721 /nfs/dbraw/zinc/04/97/21/343049721.db2.gz NBKOYQYBMXROKS-VIFPVBQESA-N 1 2 241.291 -0.545 20 0 BBADLO CS(=O)(=O)NC1C[NH+](CC2(O)CCC2)C1 ZINC000634650507 343061171 /nfs/dbraw/zinc/06/11/71/343061171.db2.gz NQHSQZZJIIBNOD-UHFFFAOYSA-N 1 2 234.321 -0.865 20 0 BBADLO CS(=O)(=O)NC1C[NH+](CC2(O)CCCC2)C1 ZINC000634650612 343061119 /nfs/dbraw/zinc/06/11/19/343061119.db2.gz QGUHUVUKGLJQMP-UHFFFAOYSA-N 1 2 248.348 -0.475 20 0 BBADLO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000634736913 344133148 /nfs/dbraw/zinc/13/31/48/344133148.db2.gz DIDVQVCVGXOQIJ-BDAKNGLRSA-N 1 2 227.308 -0.197 20 0 BBADLO C[C@H](C(N)=O)[N@H+](C)[C@H]1CCCCN(C)C1=O ZINC000634736913 344133147 /nfs/dbraw/zinc/13/31/47/344133147.db2.gz DIDVQVCVGXOQIJ-BDAKNGLRSA-N 1 2 227.308 -0.197 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000634736914 344133161 /nfs/dbraw/zinc/13/31/61/344133161.db2.gz DIDVQVCVGXOQIJ-DTWKUNHWSA-N 1 2 227.308 -0.197 20 0 BBADLO C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000634736914 344133160 /nfs/dbraw/zinc/13/31/60/344133160.db2.gz DIDVQVCVGXOQIJ-DTWKUNHWSA-N 1 2 227.308 -0.197 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000634736915 344133144 /nfs/dbraw/zinc/13/31/44/344133144.db2.gz DIDVQVCVGXOQIJ-IUCAKERBSA-N 1 2 227.308 -0.197 20 0 BBADLO C[C@@H](C(N)=O)[N@H+](C)[C@H]1CCCCN(C)C1=O ZINC000634736915 344133143 /nfs/dbraw/zinc/13/31/43/344133143.db2.gz DIDVQVCVGXOQIJ-IUCAKERBSA-N 1 2 227.308 -0.197 20 0 BBADLO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000634736916 344133200 /nfs/dbraw/zinc/13/32/00/344133200.db2.gz DIDVQVCVGXOQIJ-RKDXNWHRSA-N 1 2 227.308 -0.197 20 0 BBADLO C[C@H](C(N)=O)[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000634736916 344133199 /nfs/dbraw/zinc/13/31/99/344133199.db2.gz DIDVQVCVGXOQIJ-RKDXNWHRSA-N 1 2 227.308 -0.197 20 0 BBADLO CN1CCCC[C@@H]([N@@H+](C)CC(N)=O)C1=O ZINC000634737543 344136201 /nfs/dbraw/zinc/13/62/01/344136201.db2.gz UILMEQDRCFDNQV-MRVPVSSYSA-N 1 2 213.281 -0.586 20 0 BBADLO CN1CCCC[C@@H]([N@H+](C)CC(N)=O)C1=O ZINC000634737543 344136198 /nfs/dbraw/zinc/13/61/98/344136198.db2.gz UILMEQDRCFDNQV-MRVPVSSYSA-N 1 2 213.281 -0.586 20 0 BBADLO CN1CCCC[C@H]([N@@H+](C)CC(N)=O)C1=O ZINC000634737544 344135920 /nfs/dbraw/zinc/13/59/20/344135920.db2.gz UILMEQDRCFDNQV-QMMMGPOBSA-N 1 2 213.281 -0.586 20 0 BBADLO CN1CCCC[C@H]([N@H+](C)CC(N)=O)C1=O ZINC000634737544 344135919 /nfs/dbraw/zinc/13/59/19/344135919.db2.gz UILMEQDRCFDNQV-QMMMGPOBSA-N 1 2 213.281 -0.586 20 0 BBADLO CNC(=O)C[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000634738464 344145228 /nfs/dbraw/zinc/14/52/28/344145228.db2.gz PXHHJYXKIFNUPN-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CNC(=O)C[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000634738464 344145224 /nfs/dbraw/zinc/14/52/24/344145224.db2.gz PXHHJYXKIFNUPN-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CNC(=O)C[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000634738465 344145483 /nfs/dbraw/zinc/14/54/83/344145483.db2.gz PXHHJYXKIFNUPN-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO CNC(=O)C[N@H+](C)[C@H]1CCCCN(C)C1=O ZINC000634738465 344145482 /nfs/dbraw/zinc/14/54/82/344145482.db2.gz PXHHJYXKIFNUPN-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO Cn1nnc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)n1 ZINC000634745769 344170164 /nfs/dbraw/zinc/17/01/64/344170164.db2.gz RVXSRLRZWLENTD-OCAPTIKFSA-N 1 2 209.253 -0.712 20 0 BBADLO Cn1nnc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)n1 ZINC000634745769 344170161 /nfs/dbraw/zinc/17/01/61/344170161.db2.gz RVXSRLRZWLENTD-OCAPTIKFSA-N 1 2 209.253 -0.712 20 0 BBADLO NC(=O)C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000634751489 344201970 /nfs/dbraw/zinc/20/19/70/344201970.db2.gz RSCVVNXFXMJRMS-LURJTMIESA-N 1 2 208.208 -0.172 20 0 BBADLO NC(=O)C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634751489 344201968 /nfs/dbraw/zinc/20/19/68/344201968.db2.gz RSCVVNXFXMJRMS-LURJTMIESA-N 1 2 208.208 -0.172 20 0 BBADLO NC(=O)C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634751490 344202115 /nfs/dbraw/zinc/20/21/15/344202115.db2.gz RSCVVNXFXMJRMS-ZCFIWIBFSA-N 1 2 208.208 -0.172 20 0 BBADLO NC(=O)C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634751490 344202114 /nfs/dbraw/zinc/20/21/14/344202114.db2.gz RSCVVNXFXMJRMS-ZCFIWIBFSA-N 1 2 208.208 -0.172 20 0 BBADLO O=C(Cn1cc[nH+]c1)N1C[C@@H]2COC[C@@H]2C1 ZINC000634775968 344300507 /nfs/dbraw/zinc/30/05/07/344300507.db2.gz DLGJEJHOJVTCLA-AOOOYVTPSA-N 1 2 221.260 -0.012 20 0 BBADLO c1nn[nH]c1CC[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779665 344312721 /nfs/dbraw/zinc/31/27/21/344312721.db2.gz ZMTHYSLYRSQCFJ-DTORHVGOSA-N 1 2 208.265 -0.075 20 0 BBADLO c1nn[nH]c1CC[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779665 344312720 /nfs/dbraw/zinc/31/27/20/344312720.db2.gz ZMTHYSLYRSQCFJ-DTORHVGOSA-N 1 2 208.265 -0.075 20 0 BBADLO O=c1[nH]nc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)[nH]1 ZINC000634780271 344316349 /nfs/dbraw/zinc/31/63/49/344316349.db2.gz ZNFONMWVXFAILQ-KNVOCYPGSA-N 1 2 210.237 -0.412 20 0 BBADLO O=c1[nH]nc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)[nH]1 ZINC000634780271 344316348 /nfs/dbraw/zinc/31/63/48/344316348.db2.gz ZNFONMWVXFAILQ-KNVOCYPGSA-N 1 2 210.237 -0.412 20 0 BBADLO Cc1nsc(N2CC[N@H+](C)C[C@@H]2CO)n1 ZINC000634801828 344385455 /nfs/dbraw/zinc/38/54/55/344385455.db2.gz NERAQGBZNVQVGL-MRVPVSSYSA-N 1 2 228.321 -0.041 20 0 BBADLO Cc1nsc(N2CC[N@@H+](C)C[C@@H]2CO)n1 ZINC000634801828 344385453 /nfs/dbraw/zinc/38/54/53/344385453.db2.gz NERAQGBZNVQVGL-MRVPVSSYSA-N 1 2 228.321 -0.041 20 0 BBADLO Cc1nsc(N2CC[N@H+](C)C[C@H]2CO)n1 ZINC000634801829 344385117 /nfs/dbraw/zinc/38/51/17/344385117.db2.gz NERAQGBZNVQVGL-QMMMGPOBSA-N 1 2 228.321 -0.041 20 0 BBADLO Cc1nsc(N2CC[N@@H+](C)C[C@H]2CO)n1 ZINC000634801829 344385116 /nfs/dbraw/zinc/38/51/16/344385116.db2.gz NERAQGBZNVQVGL-QMMMGPOBSA-N 1 2 228.321 -0.041 20 0 BBADLO CCS(=O)(=O)NCC[NH2+]Cc1ccon1 ZINC000634956802 345131142 /nfs/dbraw/zinc/13/11/42/345131142.db2.gz TXPTVOPGIVCNNP-UHFFFAOYSA-N 1 2 233.293 -0.297 20 0 BBADLO CS(=O)(=O)NCC[NH2+]Cc1ccon1 ZINC000634956831 345130749 /nfs/dbraw/zinc/13/07/49/345130749.db2.gz UWYKCOXVXFKAOS-UHFFFAOYSA-N 1 2 219.266 -0.687 20 0 BBADLO O=S1(=O)CCCN1CC[NH2+]Cc1ccon1 ZINC000634960146 345132382 /nfs/dbraw/zinc/13/23/82/345132382.db2.gz KLLUEBNMAOTKTE-UHFFFAOYSA-N 1 2 245.304 -0.200 20 0 BBADLO CNS(=O)(=O)CC[NH2+]Cc1ccon1 ZINC000634977490 345154184 /nfs/dbraw/zinc/15/41/84/345154184.db2.gz BOALKDASMZMOTI-UHFFFAOYSA-N 1 2 219.266 -0.687 20 0 BBADLO CN1C(=O)CC[C@@H]([NH2+]Cc2ccon2)C1=O ZINC000634984881 345168866 /nfs/dbraw/zinc/16/88/66/345168866.db2.gz FINSWPWOVKEQSN-MRVPVSSYSA-N 1 2 223.232 -0.088 20 0 BBADLO CN1C(=O)CC[C@H]([NH2+]Cc2ccon2)C1=O ZINC000634984882 345169157 /nfs/dbraw/zinc/16/91/57/345169157.db2.gz FINSWPWOVKEQSN-QMMMGPOBSA-N 1 2 223.232 -0.088 20 0 BBADLO CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2ccon2)C1 ZINC000634984899 345168906 /nfs/dbraw/zinc/16/89/06/345168906.db2.gz FSGMQYPXPHKOHH-SECBINFHSA-N 1 2 245.304 -0.202 20 0 BBADLO CS(=O)(=O)N1CC[C@H]([NH2+]Cc2ccon2)C1 ZINC000634984900 345169093 /nfs/dbraw/zinc/16/90/93/345169093.db2.gz FSGMQYPXPHKOHH-VIFPVBQESA-N 1 2 245.304 -0.202 20 0 BBADLO C[NH+]1CCN(C(=O)CCCc2nn[nH]n2)CC1 ZINC000635057404 345231577 /nfs/dbraw/zinc/23/15/77/345231577.db2.gz WAQKXBCSPQMEPT-UHFFFAOYSA-N 1 2 238.295 -0.704 20 0 BBADLO O=C(NCC[NH+]1CCOCC1)[C@H]1C[C@@H](O)C1 ZINC000635072701 345238618 /nfs/dbraw/zinc/23/86/18/345238618.db2.gz YLBOQYQDJWPDNF-AOOOYVTPSA-N 1 2 228.292 -0.794 20 0 BBADLO CCc1c[nH]c(CC(=O)N2CCNC(=O)C2)[nH+]1 ZINC000635103908 345247430 /nfs/dbraw/zinc/24/74/30/345247430.db2.gz PRWRRSZEJZCSLG-UHFFFAOYSA-N 1 2 236.275 -0.527 20 0 BBADLO CCc1c[nH]c(CC(=O)N(C)CC(=O)NC)[nH+]1 ZINC000635123874 345252303 /nfs/dbraw/zinc/25/23/03/345252303.db2.gz MVZCVADUTOVYAD-UHFFFAOYSA-N 1 2 238.291 -0.281 20 0 BBADLO Cc1[nH+]c2ccccc2n1CCNC(=O)C(N)=O ZINC000635128059 345253883 /nfs/dbraw/zinc/25/38/83/345253883.db2.gz ZABPCNOIFJPEJS-UHFFFAOYSA-N 1 2 246.270 -0.054 20 0 BBADLO CCNC(=O)CNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635132167 345256163 /nfs/dbraw/zinc/25/61/63/345256163.db2.gz CUONHIIPSQIXEJ-UHFFFAOYSA-N 1 2 238.291 -0.233 20 0 BBADLO CCc1c[nH]c(CC(=O)NCC(=O)N(C)C)[nH+]1 ZINC000635134373 345255305 /nfs/dbraw/zinc/25/53/05/345255305.db2.gz ZWCIJOAKSNVKTO-UHFFFAOYSA-N 1 2 238.291 -0.281 20 0 BBADLO C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC000635136645 345257294 /nfs/dbraw/zinc/25/72/94/345257294.db2.gz XMZJYMLLNHKRCS-BDAKNGLRSA-N 1 2 248.348 -0.418 20 0 BBADLO C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC000635136663 345257137 /nfs/dbraw/zinc/25/71/37/345257137.db2.gz XMZJYMLLNHKRCS-RKDXNWHRSA-N 1 2 248.348 -0.418 20 0 BBADLO C[N@H+]1CCN(C(=O)C(N)=O)[C@@H](c2ccccc2)C1 ZINC000635178903 345264712 /nfs/dbraw/zinc/26/47/12/345264712.db2.gz GIXTTWZMAZVWCZ-LLVKDONJSA-N 1 2 247.298 -0.013 20 0 BBADLO C[N@@H+]1CCN(C(=O)C(N)=O)[C@@H](c2ccccc2)C1 ZINC000635178903 345264710 /nfs/dbraw/zinc/26/47/10/345264710.db2.gz GIXTTWZMAZVWCZ-LLVKDONJSA-N 1 2 247.298 -0.013 20 0 BBADLO C[N@H+]1CCN(C(=O)C(N)=O)[C@H](c2ccccc2)C1 ZINC000635178904 345264842 /nfs/dbraw/zinc/26/48/42/345264842.db2.gz GIXTTWZMAZVWCZ-NSHDSACASA-N 1 2 247.298 -0.013 20 0 BBADLO C[N@@H+]1CCN(C(=O)C(N)=O)[C@H](c2ccccc2)C1 ZINC000635178904 345264840 /nfs/dbraw/zinc/26/48/40/345264840.db2.gz GIXTTWZMAZVWCZ-NSHDSACASA-N 1 2 247.298 -0.013 20 0 BBADLO C[C@H](C(=O)N[C@]1(C)CCS(=O)(=O)C1)[NH+](C)C ZINC000635181412 345267081 /nfs/dbraw/zinc/26/70/81/345267081.db2.gz YGQFHTRJKOCMNT-PSASIEDQSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@H](C(=O)N[C@@]1(C)CCS(=O)(=O)C1)[NH+](C)C ZINC000635181413 345266957 /nfs/dbraw/zinc/26/69/57/345266957.db2.gz YGQFHTRJKOCMNT-SCZZXKLOSA-N 1 2 248.348 -0.370 20 0 BBADLO Cc1nc[nH]c1C(=O)N1CC[NH+](CCO)CC1 ZINC000635248206 345284679 /nfs/dbraw/zinc/28/46/79/345284679.db2.gz IOGRYIJAKNTFLJ-UHFFFAOYSA-N 1 2 238.291 -0.532 20 0 BBADLO CCc1c[nH]c(CC(=O)NCCOCCO)[nH+]1 ZINC000635248257 345284609 /nfs/dbraw/zinc/28/46/09/345284609.db2.gz IZSKBBPOGSCMIF-UHFFFAOYSA-N 1 2 241.291 -0.360 20 0 BBADLO CCc1c[nH]c(CC(=O)N(C)CCO)[nH+]1 ZINC000635249641 345286517 /nfs/dbraw/zinc/28/65/17/345286517.db2.gz VUUDLTNPBPHSJZ-UHFFFAOYSA-N 1 2 211.265 -0.035 20 0 BBADLO O=C(NCCn1cc[nH+]c1)[C@H]1C[C@@H](O)C1 ZINC000635279840 345294684 /nfs/dbraw/zinc/29/46/84/345294684.db2.gz HXULTMKYQQPRLB-DTORHVGOSA-N 1 2 209.249 -0.230 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@@H](O)C1 ZINC000635313160 345303936 /nfs/dbraw/zinc/30/39/36/345303936.db2.gz JCJGSKLJKFPMKE-GARJFASQSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@@H](O)C1 ZINC000635313161 345304048 /nfs/dbraw/zinc/30/40/48/345304048.db2.gz JCJGSKLJKFPMKE-MXWKQRLJSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H](C(=O)NCCCS(C)(=O)=O)[NH+](C)C ZINC000635400036 345347066 /nfs/dbraw/zinc/34/70/66/345347066.db2.gz CTOKHNOBIQPQQW-MRVPVSSYSA-N 1 2 236.337 -0.513 20 0 BBADLO NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000635421183 345360339 /nfs/dbraw/zinc/36/03/39/345360339.db2.gz LLFJAZAESNTUIS-UHFFFAOYSA-N 1 2 233.271 -0.396 20 0 BBADLO NC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000635455639 410439827 /nfs/dbraw/zinc/43/98/27/410439827.db2.gz GGJCXUMBBSOCMT-SSDOTTSWSA-N 1 2 222.248 -0.051 20 0 BBADLO NC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000635455640 410439314 /nfs/dbraw/zinc/43/93/14/410439314.db2.gz GGJCXUMBBSOCMT-ZETCQYMHSA-N 1 2 222.248 -0.051 20 0 BBADLO C[C@H]1C[N@@H+](CCNC(=O)[C@H]2C[C@@H](O)C2)CCO1 ZINC000635464625 345381073 /nfs/dbraw/zinc/38/10/73/345381073.db2.gz HQXYHUNSVCRROS-GARJFASQSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H]1C[N@H+](CCNC(=O)[C@H]2C[C@@H](O)C2)CCO1 ZINC000635464625 345381069 /nfs/dbraw/zinc/38/10/69/345381069.db2.gz HQXYHUNSVCRROS-GARJFASQSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2C[C@@H](O)C2)CCO1 ZINC000635464627 345380988 /nfs/dbraw/zinc/38/09/88/345380988.db2.gz HQXYHUNSVCRROS-MXWKQRLJSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@@H]1C[N@H+](CCNC(=O)[C@H]2C[C@@H](O)C2)CCO1 ZINC000635464627 345380986 /nfs/dbraw/zinc/38/09/86/345380986.db2.gz HQXYHUNSVCRROS-MXWKQRLJSA-N 1 2 242.319 -0.406 20 0 BBADLO CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1=O ZINC000635466005 345383500 /nfs/dbraw/zinc/38/35/00/345383500.db2.gz APALVXPDYASABH-DJLDLDEBSA-N 1 2 248.286 -0.140 20 0 BBADLO CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1=O ZINC000635466005 345383497 /nfs/dbraw/zinc/38/34/97/345383497.db2.gz APALVXPDYASABH-DJLDLDEBSA-N 1 2 248.286 -0.140 20 0 BBADLO CN1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1=O ZINC000635466008 345383634 /nfs/dbraw/zinc/38/36/34/345383634.db2.gz APALVXPDYASABH-IWSPIJDZSA-N 1 2 248.286 -0.140 20 0 BBADLO CN1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1=O ZINC000635466008 345383632 /nfs/dbraw/zinc/38/36/32/345383632.db2.gz APALVXPDYASABH-IWSPIJDZSA-N 1 2 248.286 -0.140 20 0 BBADLO CN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H](O)C1 ZINC000635478760 345388779 /nfs/dbraw/zinc/38/87/79/345388779.db2.gz HQDFUNVKWYHLTH-PHIMTYICSA-N 1 2 242.319 -0.452 20 0 BBADLO C[C@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635480902 345390312 /nfs/dbraw/zinc/39/03/12/345390312.db2.gz IPQHYIYIVROEGX-DJLDLDEBSA-N 1 2 248.286 -0.140 20 0 BBADLO C[C@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635480902 345390311 /nfs/dbraw/zinc/39/03/11/345390311.db2.gz IPQHYIYIVROEGX-DJLDLDEBSA-N 1 2 248.286 -0.140 20 0 BBADLO C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635480903 345390266 /nfs/dbraw/zinc/39/02/66/345390266.db2.gz IPQHYIYIVROEGX-IWSPIJDZSA-N 1 2 248.286 -0.140 20 0 BBADLO C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635480903 345390264 /nfs/dbraw/zinc/39/02/64/345390264.db2.gz IPQHYIYIVROEGX-IWSPIJDZSA-N 1 2 248.286 -0.140 20 0 BBADLO C[C@H](C(=O)N1CCS(=O)(=O)CC1)[NH+](C)C ZINC000635484319 345391752 /nfs/dbraw/zinc/39/17/52/345391752.db2.gz KFPQGCYBSZMOLS-MRVPVSSYSA-N 1 2 234.321 -0.807 20 0 BBADLO NC(=O)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000635486221 345394285 /nfs/dbraw/zinc/39/42/85/345394285.db2.gz DXHVHGMTZKYZPB-UHFFFAOYSA-N 1 2 221.216 -0.844 20 0 BBADLO Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@@H](O)C1 ZINC000635496812 345399213 /nfs/dbraw/zinc/39/92/13/345399213.db2.gz STRFGCCTTQUECQ-OCAPTIKFSA-N 1 2 209.249 -0.193 20 0 BBADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@@H](O)C1 ZINC000635502087 345400725 /nfs/dbraw/zinc/40/07/25/345400725.db2.gz XDDWDSATOVVJFN-GARJFASQSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@@H](O)C1 ZINC000635502087 345400723 /nfs/dbraw/zinc/40/07/23/345400723.db2.gz XDDWDSATOVVJFN-GARJFASQSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@@H](O)C1 ZINC000635502088 345400444 /nfs/dbraw/zinc/40/04/44/345400444.db2.gz XDDWDSATOVVJFN-MXWKQRLJSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@@H](O)C1 ZINC000635502088 345400438 /nfs/dbraw/zinc/40/04/38/345400438.db2.gz XDDWDSATOVVJFN-MXWKQRLJSA-N 1 2 242.319 -0.406 20 0 BBADLO NC(=O)C(=O)NCCCCNc1cccc[nH+]1 ZINC000635504465 345404596 /nfs/dbraw/zinc/40/45/96/345404596.db2.gz VYWDVIWQPZLIOR-UHFFFAOYSA-N 1 2 236.275 -0.125 20 0 BBADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1C[C@@H](O)C1 ZINC000635544720 345565421 /nfs/dbraw/zinc/56/54/21/345565421.db2.gz KSCNDYSYKCSHPL-OCAPTIKFSA-N 1 2 209.249 -0.161 20 0 BBADLO C[C@H](C(=O)N[C@H]1CCCS(=O)(=O)C1)[NH+](C)C ZINC000635550767 345613625 /nfs/dbraw/zinc/61/36/25/345613625.db2.gz ITYKIVDWULZRJG-BDAKNGLRSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@H](C(=O)N[C@@H]1CCCS(=O)(=O)C1)[NH+](C)C ZINC000635550802 345613411 /nfs/dbraw/zinc/61/34/11/345613411.db2.gz ITYKIVDWULZRJG-RKDXNWHRSA-N 1 2 248.348 -0.370 20 0 BBADLO CN1CC[C@](C)(C(=O)NCc2[nH]cc[nH+]2)C1=O ZINC000635551814 345637682 /nfs/dbraw/zinc/63/76/82/345637682.db2.gz PHZWGQXHZCJDAZ-LLVKDONJSA-N 1 2 236.275 -0.106 20 0 BBADLO CN1CC[C@@](C)(C(=O)NCc2[nH]cc[nH+]2)C1=O ZINC000635551815 345637628 /nfs/dbraw/zinc/63/76/28/345637628.db2.gz PHZWGQXHZCJDAZ-NSHDSACASA-N 1 2 236.275 -0.106 20 0 BBADLO C[C@@]1(C(=O)N2CC(n3cc[nH+]c3)C2)CCNC1=O ZINC000635565345 345789594 /nfs/dbraw/zinc/78/95/94/345789594.db2.gz MZZKSIWDKDHPDO-GFCCVEGCSA-N 1 2 248.286 -0.207 20 0 BBADLO C[C@]1(C(=O)N2CC(n3cc[nH+]c3)C2)CCNC1=O ZINC000635565347 345789351 /nfs/dbraw/zinc/78/93/51/345789351.db2.gz MZZKSIWDKDHPDO-LBPRGKRZSA-N 1 2 248.286 -0.207 20 0 BBADLO C[C@H](CS(C)(=O)=O)NC(=O)[C@@H](C)[NH+](C)C ZINC000635566572 345804042 /nfs/dbraw/zinc/80/40/42/345804042.db2.gz XHXXLQRFCXWQRD-HTQZYQBOSA-N 1 2 236.337 -0.514 20 0 BBADLO C[C@H](C(=O)N[C@@H](C)CS(C)(=O)=O)[NH+](C)C ZINC000635566587 345804680 /nfs/dbraw/zinc/80/46/80/345804680.db2.gz XHXXLQRFCXWQRD-JGVFFNPUSA-N 1 2 236.337 -0.514 20 0 BBADLO NC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000635580329 345877493 /nfs/dbraw/zinc/87/74/93/345877493.db2.gz AIQKCPNAOUTHIC-UHFFFAOYSA-N 1 2 222.248 -0.515 20 0 BBADLO C[C@H](C(=O)N1CCS(=O)(=O)[C@@H](C)C1)[NH+](C)C ZINC000635585303 345880416 /nfs/dbraw/zinc/88/04/16/345880416.db2.gz IZOPHJLNMITRBN-DTWKUNHWSA-N 1 2 248.348 -0.418 20 0 BBADLO C[C@H](C(=O)N1CCS(=O)(=O)[C@H](C)C1)[NH+](C)C ZINC000635585304 345880272 /nfs/dbraw/zinc/88/02/72/345880272.db2.gz IZOPHJLNMITRBN-RKDXNWHRSA-N 1 2 248.348 -0.418 20 0 BBADLO CN1CC[C@](C)(C(=O)NCc2c[nH]c[nH+]2)C1=O ZINC000635590014 345883910 /nfs/dbraw/zinc/88/39/10/345883910.db2.gz SQLCLCOLSVXBIG-LLVKDONJSA-N 1 2 236.275 -0.106 20 0 BBADLO CN1CC[C@](C)(C(=O)NCc2c[nH+]c[nH]2)C1=O ZINC000635590014 345883906 /nfs/dbraw/zinc/88/39/06/345883906.db2.gz SQLCLCOLSVXBIG-LLVKDONJSA-N 1 2 236.275 -0.106 20 0 BBADLO CN1CC[C@@](C)(C(=O)NCc2c[nH]c[nH+]2)C1=O ZINC000635590015 345884191 /nfs/dbraw/zinc/88/41/91/345884191.db2.gz SQLCLCOLSVXBIG-NSHDSACASA-N 1 2 236.275 -0.106 20 0 BBADLO CN1CC[C@@](C)(C(=O)NCc2c[nH+]c[nH]2)C1=O ZINC000635590015 345884189 /nfs/dbraw/zinc/88/41/89/345884189.db2.gz SQLCLCOLSVXBIG-NSHDSACASA-N 1 2 236.275 -0.106 20 0 BBADLO C[C@H](C(=O)N1CCS(=O)(=O)C[C@@H]1C)[NH+](C)C ZINC000635591447 345885035 /nfs/dbraw/zinc/88/50/35/345885035.db2.gz FBCMJFZAQQGCQE-DTWKUNHWSA-N 1 2 248.348 -0.418 20 0 BBADLO C[C@H](C(=O)N1CCS(=O)(=O)C[C@H]1C)[NH+](C)C ZINC000635591449 345885104 /nfs/dbraw/zinc/88/51/04/345885104.db2.gz FBCMJFZAQQGCQE-RKDXNWHRSA-N 1 2 248.348 -0.418 20 0 BBADLO CN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1=O ZINC000635596804 345884120 /nfs/dbraw/zinc/88/41/20/345884120.db2.gz MPYDESNLPLEWNS-RKDXNWHRSA-N 1 2 248.286 -0.186 20 0 BBADLO CN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1=O ZINC000635596804 345884118 /nfs/dbraw/zinc/88/41/18/345884118.db2.gz MPYDESNLPLEWNS-RKDXNWHRSA-N 1 2 248.286 -0.186 20 0 BBADLO C[C@H](C(=O)N1CCc2[nH]nnc2C1)[NH+](C)C ZINC000635616455 345894967 /nfs/dbraw/zinc/89/49/67/345894967.db2.gz BDIPFNWTQMUSAO-SSDOTTSWSA-N 1 2 223.280 -0.361 20 0 BBADLO C[C@H](C(=O)N[C@@H](C)c1nnc[nH]1)[NH+](C)C ZINC000635632843 345910765 /nfs/dbraw/zinc/91/07/65/345910765.db2.gz UTAJGARUDKKUPV-NKWVEPMBSA-N 1 2 211.269 -0.068 20 0 BBADLO C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)c1nnc[nH]1 ZINC000635632844 345910939 /nfs/dbraw/zinc/91/09/39/345910939.db2.gz UTAJGARUDKKUPV-RNFRBKRXSA-N 1 2 211.269 -0.068 20 0 BBADLO Cc1cccn2cc(CCNC(=O)C(N)=O)[nH+]c12 ZINC000635636791 345910866 /nfs/dbraw/zinc/91/08/66/345910866.db2.gz CMTCIXNFYHUKCB-UHFFFAOYSA-N 1 2 246.270 -0.213 20 0 BBADLO CC(C)OCC[NH+]1CCN(C(=O)C(N)=O)CC1 ZINC000635639219 345913097 /nfs/dbraw/zinc/91/30/97/345913097.db2.gz XYJLLIHZUNSRGP-UHFFFAOYSA-N 1 2 243.307 -0.959 20 0 BBADLO C[N@H+]1CCCC[C@H]1C(=O)NCc1c[nH]nn1 ZINC000635642892 345917082 /nfs/dbraw/zinc/91/70/82/345917082.db2.gz ZRCRQEVPNWZUTK-VIFPVBQESA-N 1 2 223.280 -0.095 20 0 BBADLO C[NH+](C)CC1(C(=O)NCc2n[nH]c(=O)[nH]2)CC1 ZINC000635643307 345918297 /nfs/dbraw/zinc/91/82/97/345918297.db2.gz GWDCQNYUZUZVRE-UHFFFAOYSA-N 1 2 239.279 -0.532 20 0 BBADLO C[N@H+]1CCCC[C@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000635645328 345920708 /nfs/dbraw/zinc/92/07/08/345920708.db2.gz YIRDGQMDNQUGIY-ZETCQYMHSA-N 1 2 239.279 -0.389 20 0 BBADLO C[N@@H+]1CCCC[C@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000635645328 345920706 /nfs/dbraw/zinc/92/07/06/345920706.db2.gz YIRDGQMDNQUGIY-ZETCQYMHSA-N 1 2 239.279 -0.389 20 0 BBADLO C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1n1cc[nH+]c1 ZINC000635682002 345975999 /nfs/dbraw/zinc/97/59/99/345975999.db2.gz PKISWOUBMQHYCN-BDAKNGLRSA-N 1 2 236.275 -0.222 20 0 BBADLO C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1n1cc[nH+]c1 ZINC000635682003 345976277 /nfs/dbraw/zinc/97/62/77/345976277.db2.gz PKISWOUBMQHYCN-DTWKUNHWSA-N 1 2 236.275 -0.222 20 0 BBADLO C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1n1cc[nH+]c1 ZINC000635682004 345975782 /nfs/dbraw/zinc/97/57/82/345975782.db2.gz PKISWOUBMQHYCN-IUCAKERBSA-N 1 2 236.275 -0.222 20 0 BBADLO C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1n1cc[nH+]c1 ZINC000635682005 345975885 /nfs/dbraw/zinc/97/58/85/345975885.db2.gz PKISWOUBMQHYCN-RKDXNWHRSA-N 1 2 236.275 -0.222 20 0 BBADLO CCc1c[nH]c(CC(=O)N2CC(O)C2)[nH+]1 ZINC000635697588 345985743 /nfs/dbraw/zinc/98/57/43/345985743.db2.gz PSJWNZKFHGYHAD-UHFFFAOYSA-N 1 2 209.249 -0.282 20 0 BBADLO C[C@H](C(=O)NC[C@@H]1CCCS1(=O)=O)[NH+](C)C ZINC000635703071 345990345 /nfs/dbraw/zinc/99/03/45/345990345.db2.gz HTGWXFYFISKWIB-BDAKNGLRSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@H](C(=O)NC[C@H]1CCCS1(=O)=O)[NH+](C)C ZINC000635703072 345990339 /nfs/dbraw/zinc/99/03/39/345990339.db2.gz HTGWXFYFISKWIB-RKDXNWHRSA-N 1 2 248.348 -0.370 20 0 BBADLO O=C(CCCc1nn[nH]n1)NCC[NH+]1CCC1 ZINC000635723642 346033513 /nfs/dbraw/zinc/03/35/13/346033513.db2.gz IFBHOPLGYQLTLT-UHFFFAOYSA-N 1 2 238.295 -0.656 20 0 BBADLO C[C@H](CNC(=O)[C@@H](C)[NH+](C)C)S(C)(=O)=O ZINC000635731627 346042940 /nfs/dbraw/zinc/04/29/40/346042940.db2.gz BLKHFSIEQDDRAA-HTQZYQBOSA-N 1 2 236.337 -0.514 20 0 BBADLO C[C@H](C(=O)NC[C@H](C)S(C)(=O)=O)[NH+](C)C ZINC000635731644 346043180 /nfs/dbraw/zinc/04/31/80/346043180.db2.gz BLKHFSIEQDDRAA-JGVFFNPUSA-N 1 2 236.337 -0.514 20 0 BBADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(N)=O)C1 ZINC000635737995 346045405 /nfs/dbraw/zinc/04/54/05/346045405.db2.gz HNZAZDHHZXENPP-JTQLQIEISA-N 1 2 233.271 -0.225 20 0 BBADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(N)=O)C1 ZINC000635737995 346045401 /nfs/dbraw/zinc/04/54/01/346045401.db2.gz HNZAZDHHZXENPP-JTQLQIEISA-N 1 2 233.271 -0.225 20 0 BBADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(N)=O)C1 ZINC000635737996 346045529 /nfs/dbraw/zinc/04/55/29/346045529.db2.gz HNZAZDHHZXENPP-SNVBAGLBSA-N 1 2 233.271 -0.225 20 0 BBADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(N)=O)C1 ZINC000635737996 346045525 /nfs/dbraw/zinc/04/55/25/346045525.db2.gz HNZAZDHHZXENPP-SNVBAGLBSA-N 1 2 233.271 -0.225 20 0 BBADLO C[NH+](C)C1CN(C(=O)C2=CCS(=O)(=O)C2)C1 ZINC000635744057 346055215 /nfs/dbraw/zinc/05/52/15/346055215.db2.gz MEZQHBPOBXFEQT-UHFFFAOYSA-N 1 2 244.316 -0.886 20 0 BBADLO Cc1cn2ccc(C(=O)NC(CO)CO)cc2[nH+]1 ZINC000635753278 346049619 /nfs/dbraw/zinc/04/96/19/346049619.db2.gz GMJYGRYGLCLCFX-UHFFFAOYSA-N 1 2 249.270 -0.274 20 0 BBADLO CCc1c[nH]c(CC(=O)N(C)C[C@H](O)CO)[nH+]1 ZINC000635757335 346051926 /nfs/dbraw/zinc/05/19/26/346051926.db2.gz AOOHVJWRJMTQMK-VIFPVBQESA-N 1 2 241.291 -0.674 20 0 BBADLO COc1n[nH]c(NC(=O)[C@@H](C)[NH+](C)C)n1 ZINC000635758849 346052790 /nfs/dbraw/zinc/05/27/90/346052790.db2.gz VAMLGPCXYWKRTH-RXMQYKEDSA-N 1 2 213.241 -0.298 20 0 BBADLO CCc1c[nH]c(CC(=O)N2CC(=O)N(C)C2)[nH+]1 ZINC000635768694 346058717 /nfs/dbraw/zinc/05/87/17/346058717.db2.gz RQPVWYNKSZFJNB-UHFFFAOYSA-N 1 2 236.275 -0.227 20 0 BBADLO CN1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1=O ZINC000635768741 346058623 /nfs/dbraw/zinc/05/86/23/346058623.db2.gz TVCPGUKDLHNNHR-HTQZYQBOSA-N 1 2 234.259 -0.229 20 0 BBADLO CN1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1=O ZINC000635768741 346058620 /nfs/dbraw/zinc/05/86/20/346058620.db2.gz TVCPGUKDLHNNHR-HTQZYQBOSA-N 1 2 234.259 -0.229 20 0 BBADLO CCc1c[nH]c(CC(=O)N[C@H]2CNC(=O)C2)[nH+]1 ZINC000635774577 346061120 /nfs/dbraw/zinc/06/11/20/346061120.db2.gz IVHFCUACXNTFQG-MRVPVSSYSA-N 1 2 236.275 -0.481 20 0 BBADLO CCc1c[nH]c(CC(=O)N[C@@H]2CNC(=O)C2)[nH+]1 ZINC000635774589 346061221 /nfs/dbraw/zinc/06/12/21/346061221.db2.gz IVHFCUACXNTFQG-QMMMGPOBSA-N 1 2 236.275 -0.481 20 0 BBADLO CCc1c[nH]c(CC(=O)NC(C)(CO)CO)[nH+]1 ZINC000635788085 346069319 /nfs/dbraw/zinc/06/93/19/346069319.db2.gz PWRLWFRCAOKQEG-UHFFFAOYSA-N 1 2 241.291 -0.626 20 0 BBADLO Cn1c[nH+]cc1CCNC(=O)[C@H]1C[C@@H](O)C1 ZINC000635788988 346070035 /nfs/dbraw/zinc/07/00/35/346070035.db2.gz ICIRGHUVEPNDTB-WAAGHKOSSA-N 1 2 223.276 -0.150 20 0 BBADLO C[C@H](CN(C)C(=O)[C@@H](C)[NH+](C)C)c1nn[nH]n1 ZINC000635794247 346065053 /nfs/dbraw/zinc/06/50/53/346065053.db2.gz AMMPBBRLPSDTTO-HTQZYQBOSA-N 1 2 240.311 -0.288 20 0 BBADLO C[C@H](C(=O)N(C)C[C@H](C)c1nn[nH]n1)[NH+](C)C ZINC000635794254 346064983 /nfs/dbraw/zinc/06/49/83/346064983.db2.gz AMMPBBRLPSDTTO-JGVFFNPUSA-N 1 2 240.311 -0.288 20 0 BBADLO CNC(=O)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635805926 346072985 /nfs/dbraw/zinc/07/29/85/346072985.db2.gz HOPZDBRGTQRXIO-RKDXNWHRSA-N 1 2 248.286 -0.282 20 0 BBADLO CNC(=O)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635805926 346072982 /nfs/dbraw/zinc/07/29/82/346072982.db2.gz HOPZDBRGTQRXIO-RKDXNWHRSA-N 1 2 248.286 -0.282 20 0 BBADLO CC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635841600 346083638 /nfs/dbraw/zinc/08/36/38/346083638.db2.gz YPCQCAWWDQSOOQ-NXEZZACHSA-N 1 2 248.286 -0.140 20 0 BBADLO CC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635841600 346083636 /nfs/dbraw/zinc/08/36/36/346083636.db2.gz YPCQCAWWDQSOOQ-NXEZZACHSA-N 1 2 248.286 -0.140 20 0 BBADLO CCc1c[nH]c(CC(=O)N(CC)CC(N)=O)[nH+]1 ZINC000635844966 346088623 /nfs/dbraw/zinc/08/86/23/346088623.db2.gz WGSQSEZUCNKVDS-UHFFFAOYSA-N 1 2 238.291 -0.152 20 0 BBADLO NC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000635868481 346098580 /nfs/dbraw/zinc/09/85/80/346098580.db2.gz FBKYTSWPJDCUAM-SECBINFHSA-N 1 2 235.243 -0.453 20 0 BBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(N)=O)C[C@H](C)O1 ZINC000635869925 346092333 /nfs/dbraw/zinc/09/23/33/346092333.db2.gz XHMJWNSRZCOUCH-DTORHVGOSA-N 1 2 243.307 -0.961 20 0 BBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(N)=O)C[C@H](C)O1 ZINC000635869925 346092331 /nfs/dbraw/zinc/09/23/31/346092331.db2.gz XHMJWNSRZCOUCH-DTORHVGOSA-N 1 2 243.307 -0.961 20 0 BBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(N)=O ZINC000635870485 346092349 /nfs/dbraw/zinc/09/23/49/346092349.db2.gz YYAGPLLWBVDQSB-UHFFFAOYSA-N 1 2 243.307 -0.959 20 0 BBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(N)=O ZINC000635870485 346092348 /nfs/dbraw/zinc/09/23/48/346092348.db2.gz YYAGPLLWBVDQSB-UHFFFAOYSA-N 1 2 243.307 -0.959 20 0 BBADLO C[C@H](C(=O)NCC1(S(C)(=O)=O)CC1)[NH+](C)C ZINC000635877177 346096453 /nfs/dbraw/zinc/09/64/53/346096453.db2.gz IPHIKYXRRYXMKC-MRVPVSSYSA-N 1 2 248.348 -0.370 20 0 BBADLO CCc1c[nH]c(CC(=O)N[C@H](CO)COC)[nH+]1 ZINC000635879420 346096636 /nfs/dbraw/zinc/09/66/36/346096636.db2.gz HONMEBKTYJVQHD-SECBINFHSA-N 1 2 241.291 -0.362 20 0 BBADLO CCc1c[nH]c(CC(=O)N[C@@H](CO)COC)[nH+]1 ZINC000635879421 346096740 /nfs/dbraw/zinc/09/67/40/346096740.db2.gz HONMEBKTYJVQHD-VIFPVBQESA-N 1 2 241.291 -0.362 20 0 BBADLO CCc1c[nH]c(CC(=O)NC[C@@](C)(O)CO)[nH+]1 ZINC000635883815 346101554 /nfs/dbraw/zinc/10/15/54/346101554.db2.gz OQDITTCLONFBMG-LLVKDONJSA-N 1 2 241.291 -0.626 20 0 BBADLO CCc1c[nH]c(CC(=O)NC[C@](C)(O)CO)[nH+]1 ZINC000635883816 346101661 /nfs/dbraw/zinc/10/16/61/346101661.db2.gz OQDITTCLONFBMG-NSHDSACASA-N 1 2 241.291 -0.626 20 0 BBADLO Cc1cc[nH+]cc1N1CCN(C(=O)C(N)=O)CC1 ZINC000635893213 346104280 /nfs/dbraw/zinc/10/42/80/346104280.db2.gz NDPQUPVCODORJE-UHFFFAOYSA-N 1 2 248.286 -0.476 20 0 BBADLO C[C@H](C(=O)N1CC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC000635897362 346105243 /nfs/dbraw/zinc/10/52/43/346105243.db2.gz BUIHWDPVOHTXLG-BDAKNGLRSA-N 1 2 248.348 -0.418 20 0 BBADLO C[C@H](C(=O)N1CC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC000635897366 346105254 /nfs/dbraw/zinc/10/52/54/346105254.db2.gz BUIHWDPVOHTXLG-RKDXNWHRSA-N 1 2 248.348 -0.418 20 0 BBADLO CCc1c[nH]c(CC(=O)N(C)CCC(N)=O)[nH+]1 ZINC000635925270 346115925 /nfs/dbraw/zinc/11/59/25/346115925.db2.gz GBTNHDPXYOEQAJ-UHFFFAOYSA-N 1 2 238.291 -0.152 20 0 BBADLO O=C([C@H]1C[C@@H](O)C1)N1CCn2c[nH+]cc2C1 ZINC000635944923 346118737 /nfs/dbraw/zinc/11/87/37/346118737.db2.gz NDPGRMHTMLLUAM-WAAGHKOSSA-N 1 2 221.260 -0.004 20 0 BBADLO CCc1c[nH]c(CC(=O)N2CCOCCN2)[nH+]1 ZINC000635975486 346129993 /nfs/dbraw/zinc/12/99/93/346129993.db2.gz LTNAAPLIDYRRED-UHFFFAOYSA-N 1 2 238.291 -0.122 20 0 BBADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCOCCN1 ZINC000635976688 346130604 /nfs/dbraw/zinc/13/06/04/346130604.db2.gz ZVSLEYYYNIXXRY-RKDXNWHRSA-N 1 2 236.275 -0.123 20 0 BBADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCOCCN1 ZINC000635976688 346130602 /nfs/dbraw/zinc/13/06/02/346130602.db2.gz ZVSLEYYYNIXXRY-RKDXNWHRSA-N 1 2 236.275 -0.123 20 0 BBADLO Cn1cc[nH+]c1[C@H]1N(C(=O)C(N)=O)CC1(C)C ZINC000635979115 384942090 /nfs/dbraw/zinc/94/20/90/384942090.db2.gz YWKVYNCGYKXJEV-SSDOTTSWSA-N 1 2 236.275 -0.185 20 0 BBADLO Cn1cc[nH+]c1[C@@H]1N(C(=O)C(N)=O)CC1(C)C ZINC000635979116 384940203 /nfs/dbraw/zinc/94/02/03/384940203.db2.gz YWKVYNCGYKXJEV-ZETCQYMHSA-N 1 2 236.275 -0.185 20 0 BBADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1C[C@@H](O)C1 ZINC000635985862 346138677 /nfs/dbraw/zinc/13/86/77/346138677.db2.gz KSIXHJOZTXQJJY-MRTMQBJTSA-N 1 2 221.260 -0.305 20 0 BBADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1C[C@@H](O)C1 ZINC000635985867 346138749 /nfs/dbraw/zinc/13/87/49/346138749.db2.gz KSIXHJOZTXQJJY-OYNCUSHFSA-N 1 2 221.260 -0.305 20 0 BBADLO CCc1c[nH]c(CC(=O)N2CC(O)(CO)C2)[nH+]1 ZINC000635989413 346140481 /nfs/dbraw/zinc/14/04/81/346140481.db2.gz IYRFVONNVVBQTB-UHFFFAOYSA-N 1 2 239.275 -0.920 20 0 BBADLO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(=O)N1 ZINC000635993037 346143669 /nfs/dbraw/zinc/14/36/69/346143669.db2.gz ZSCMDDFHEQUZSR-DJLDLDEBSA-N 1 2 248.286 -0.140 20 0 BBADLO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(=O)N1 ZINC000635993037 346143666 /nfs/dbraw/zinc/14/36/66/346143666.db2.gz ZSCMDDFHEQUZSR-DJLDLDEBSA-N 1 2 248.286 -0.140 20 0 BBADLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(=O)N1 ZINC000635993039 346143294 /nfs/dbraw/zinc/14/32/94/346143294.db2.gz ZSCMDDFHEQUZSR-IWSPIJDZSA-N 1 2 248.286 -0.140 20 0 BBADLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(=O)N1 ZINC000635993039 346143290 /nfs/dbraw/zinc/14/32/90/346143290.db2.gz ZSCMDDFHEQUZSR-IWSPIJDZSA-N 1 2 248.286 -0.140 20 0 BBADLO CCc1c[nH]c(CC(=O)N[C@@H]2COC[C@H]2O)[nH+]1 ZINC000635993770 346144250 /nfs/dbraw/zinc/14/42/50/346144250.db2.gz GBXVEHWHQQEXNY-RKDXNWHRSA-N 1 2 239.275 -0.610 20 0 BBADLO CCS(=O)(=O)C1CN(C(=O)[C@@H](C)[NH+](C)C)C1 ZINC000635996085 346145057 /nfs/dbraw/zinc/14/50/57/346145057.db2.gz ASRNVKRSMCSHMS-MRVPVSSYSA-N 1 2 248.348 -0.418 20 0 BBADLO NC(=O)C(=O)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000636008620 346149449 /nfs/dbraw/zinc/14/94/49/346149449.db2.gz HEVVUDQHUAUINO-JTQLQIEISA-N 1 2 233.271 -0.355 20 0 BBADLO NC(=O)C(=O)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000636008621 346149365 /nfs/dbraw/zinc/14/93/65/346149365.db2.gz HEVVUDQHUAUINO-SNVBAGLBSA-N 1 2 233.271 -0.355 20 0 BBADLO C[C@H](C(=O)N1CC(S(C)(=O)=O)C1)[NH+](C)C ZINC000636010715 346152370 /nfs/dbraw/zinc/15/23/70/346152370.db2.gz VATYLRXXVVYTAX-SSDOTTSWSA-N 1 2 234.321 -0.808 20 0 BBADLO C[C@@H](C(=O)N1CC(S(C)(=O)=O)C1)[NH+](C)C ZINC000636010718 346152699 /nfs/dbraw/zinc/15/26/99/346152699.db2.gz VATYLRXXVVYTAX-ZETCQYMHSA-N 1 2 234.321 -0.808 20 0 BBADLO Cn1c[nH+]c(CCNC(=O)[C@H]2C[C@@H](O)C2)c1 ZINC000636016065 346156815 /nfs/dbraw/zinc/15/68/15/346156815.db2.gz RMBRFZPFVGVCCM-WAAGHKOSSA-N 1 2 223.276 -0.150 20 0 BBADLO CN(C(=O)C(N)=O)C(C)(C)C[NH+]1CCOCC1 ZINC000636028981 346163135 /nfs/dbraw/zinc/16/31/35/346163135.db2.gz HMHQHUINXWHLTP-UHFFFAOYSA-N 1 2 243.307 -0.959 20 0 BBADLO CC1(C(N)=O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000636076436 346313302 /nfs/dbraw/zinc/31/33/02/346313302.db2.gz XTEBWLCVXBYXBN-HTQZYQBOSA-N 1 2 248.286 -0.153 20 0 BBADLO CC1(C(N)=O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000636076436 346313300 /nfs/dbraw/zinc/31/33/00/346313300.db2.gz XTEBWLCVXBYXBN-HTQZYQBOSA-N 1 2 248.286 -0.153 20 0 BBADLO Cc1cccc2[nH+]c(CCNC(=O)C(N)=O)cn21 ZINC000636112149 346323272 /nfs/dbraw/zinc/32/32/72/346323272.db2.gz PBINSCFWUPXWKQ-UHFFFAOYSA-N 1 2 246.270 -0.213 20 0 BBADLO C[C@H](CNC(=O)C(N)=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000636139029 346331241 /nfs/dbraw/zinc/33/12/41/346331241.db2.gz KFAXVPVYFYSCNO-HLTSFMKQSA-N 1 2 243.307 -0.914 20 0 BBADLO C[C@H](CNC(=O)C(N)=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000636139029 346331238 /nfs/dbraw/zinc/33/12/38/346331238.db2.gz KFAXVPVYFYSCNO-HLTSFMKQSA-N 1 2 243.307 -0.914 20 0 BBADLO C[C@@H](CNC(=O)C(N)=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000636139030 346331542 /nfs/dbraw/zinc/33/15/42/346331542.db2.gz KFAXVPVYFYSCNO-XHNCKOQMSA-N 1 2 243.307 -0.914 20 0 BBADLO C[C@@H](CNC(=O)C(N)=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000636139030 346331540 /nfs/dbraw/zinc/33/15/40/346331540.db2.gz KFAXVPVYFYSCNO-XHNCKOQMSA-N 1 2 243.307 -0.914 20 0 BBADLO CCc1c[nH]c(CC(=O)N2C[C@H](O)[C@@H](O)C2)[nH+]1 ZINC000636252204 346369362 /nfs/dbraw/zinc/36/93/62/346369362.db2.gz SUXJTPARWQKUKO-IUCAKERBSA-N 1 2 239.275 -0.921 20 0 BBADLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C)[NH+](C)C ZINC000636280161 346376698 /nfs/dbraw/zinc/37/66/98/346376698.db2.gz KCRPCWOXCJTTJI-IWSPIJDZSA-N 1 2 248.348 -0.372 20 0 BBADLO CCc1c[nH]c(CC(=O)N[C@@H]2COC[C@@H]2O)[nH+]1 ZINC000636302256 346384150 /nfs/dbraw/zinc/38/41/50/346384150.db2.gz GBXVEHWHQQEXNY-BDAKNGLRSA-N 1 2 239.275 -0.610 20 0 BBADLO C[C@H](CCO)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000636821336 349994515 /nfs/dbraw/zinc/99/45/15/349994515.db2.gz MTVMRHSDZSECKB-NXEZZACHSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@H](CCO)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000636821336 349994513 /nfs/dbraw/zinc/99/45/13/349994513.db2.gz MTVMRHSDZSECKB-NXEZZACHSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@@H](CCO)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000636821337 349994372 /nfs/dbraw/zinc/99/43/72/349994372.db2.gz MTVMRHSDZSECKB-UWVGGRQHSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@@H](CCO)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000636821337 349994370 /nfs/dbraw/zinc/99/43/70/349994370.db2.gz MTVMRHSDZSECKB-UWVGGRQHSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@@H](CCO)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000636821338 349994510 /nfs/dbraw/zinc/99/45/10/349994510.db2.gz MTVMRHSDZSECKB-VHSXEESVSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@@H](CCO)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000636821338 349994508 /nfs/dbraw/zinc/99/45/08/349994508.db2.gz MTVMRHSDZSECKB-VHSXEESVSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@H](CCO)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000636821339 349994495 /nfs/dbraw/zinc/99/44/95/349994495.db2.gz MTVMRHSDZSECKB-ZJUUUORDSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@H](CCO)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000636821339 349994494 /nfs/dbraw/zinc/99/44/94/349994494.db2.gz MTVMRHSDZSECKB-ZJUUUORDSA-N 1 2 245.323 -0.613 20 0 BBADLO O=C(N[C@@H]1CCOC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636970776 350110626 /nfs/dbraw/zinc/11/06/26/350110626.db2.gz XICGKDIEKSIDBY-BDAKNGLRSA-N 1 2 236.275 -0.104 20 0 BBADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@H]1CCOC1 ZINC000636970777 350110856 /nfs/dbraw/zinc/11/08/56/350110856.db2.gz XICGKDIEKSIDBY-DTWKUNHWSA-N 1 2 236.275 -0.104 20 0 BBADLO O=C(N[C@H]1CCOC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636970778 350110302 /nfs/dbraw/zinc/11/03/02/350110302.db2.gz XICGKDIEKSIDBY-IUCAKERBSA-N 1 2 236.275 -0.104 20 0 BBADLO O=C(N[C@@H]1CCOC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636970779 350110533 /nfs/dbraw/zinc/11/05/33/350110533.db2.gz XICGKDIEKSIDBY-RKDXNWHRSA-N 1 2 236.275 -0.104 20 0 BBADLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637112344 350202094 /nfs/dbraw/zinc/20/20/94/350202094.db2.gz HGTJLKPYOWFSPB-CPOMMVLXSA-N 1 2 248.286 -0.248 20 0 BBADLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637112348 350202463 /nfs/dbraw/zinc/20/24/63/350202463.db2.gz HGTJLKPYOWFSPB-SNXWAXQRSA-N 1 2 248.286 -0.248 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCOC[C@H]1C ZINC000637174799 350236692 /nfs/dbraw/zinc/23/66/92/350236692.db2.gz GEJZJZGLDTVMMJ-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCOC[C@H]1C ZINC000637174799 350236689 /nfs/dbraw/zinc/23/66/89/350236689.db2.gz GEJZJZGLDTVMMJ-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCOC[C@H]1C ZINC000637174800 350236743 /nfs/dbraw/zinc/23/67/43/350236743.db2.gz GEJZJZGLDTVMMJ-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCOC[C@H]1C ZINC000637174800 350236741 /nfs/dbraw/zinc/23/67/41/350236741.db2.gz GEJZJZGLDTVMMJ-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCO[C@@H]2C[C@@H]21 ZINC000637292669 350406978 /nfs/dbraw/zinc/40/69/78/350406978.db2.gz QUMMXBWDXVLHQQ-HBNTYKKESA-N 1 2 240.303 -0.293 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCO[C@@H]2C[C@@H]21 ZINC000637292669 350406974 /nfs/dbraw/zinc/40/69/74/350406974.db2.gz QUMMXBWDXVLHQQ-HBNTYKKESA-N 1 2 240.303 -0.293 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCO[C@H]2C[C@H]21 ZINC000637292670 350407285 /nfs/dbraw/zinc/40/72/85/350407285.db2.gz QUMMXBWDXVLHQQ-MXWKQRLJSA-N 1 2 240.303 -0.293 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCO[C@H]2C[C@H]21 ZINC000637292670 350407283 /nfs/dbraw/zinc/40/72/83/350407283.db2.gz QUMMXBWDXVLHQQ-MXWKQRLJSA-N 1 2 240.303 -0.293 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCOC[C@@H]1C ZINC000637313060 350442712 /nfs/dbraw/zinc/44/27/12/350442712.db2.gz GEJZJZGLDTVMMJ-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCOC[C@@H]1C ZINC000637313060 350442708 /nfs/dbraw/zinc/44/27/08/350442708.db2.gz GEJZJZGLDTVMMJ-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCOC[C@@H]1C ZINC000637313062 350442817 /nfs/dbraw/zinc/44/28/17/350442817.db2.gz GEJZJZGLDTVMMJ-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCOC[C@@H]1C ZINC000637313062 350442815 /nfs/dbraw/zinc/44/28/15/350442815.db2.gz GEJZJZGLDTVMMJ-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC=CC1 ZINC000637439680 350580026 /nfs/dbraw/zinc/58/00/26/350580026.db2.gz BZUMLQZYSBPUMB-JTQLQIEISA-N 1 2 225.292 -0.102 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC=CC1 ZINC000637439680 350580024 /nfs/dbraw/zinc/58/00/24/350580024.db2.gz BZUMLQZYSBPUMB-JTQLQIEISA-N 1 2 225.292 -0.102 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CC=CC1 ZINC000637439681 350580044 /nfs/dbraw/zinc/58/00/44/350580044.db2.gz BZUMLQZYSBPUMB-SNVBAGLBSA-N 1 2 225.292 -0.102 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC=CC1 ZINC000637439681 350580042 /nfs/dbraw/zinc/58/00/42/350580042.db2.gz BZUMLQZYSBPUMB-SNVBAGLBSA-N 1 2 225.292 -0.102 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)NC1(C)COC1 ZINC000637439888 350583417 /nfs/dbraw/zinc/58/34/17/350583417.db2.gz FPUANNUQAKOKHX-SECBINFHSA-N 1 2 243.307 -0.595 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NC1(C)COC1 ZINC000637439888 350583415 /nfs/dbraw/zinc/58/34/15/350583415.db2.gz FPUANNUQAKOKHX-SECBINFHSA-N 1 2 243.307 -0.595 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NC1(C)COC1 ZINC000637439889 350583516 /nfs/dbraw/zinc/58/35/16/350583516.db2.gz FPUANNUQAKOKHX-VIFPVBQESA-N 1 2 243.307 -0.595 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NC1(C)COC1 ZINC000637439889 350583513 /nfs/dbraw/zinc/58/35/13/350583513.db2.gz FPUANNUQAKOKHX-VIFPVBQESA-N 1 2 243.307 -0.595 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1C[C@H](O)C1 ZINC000637440023 350583558 /nfs/dbraw/zinc/58/35/58/350583558.db2.gz GHJFUCUJBYHODC-GUBZILKMSA-N 1 2 243.307 -0.861 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1C[C@H](O)C1 ZINC000637440023 350583556 /nfs/dbraw/zinc/58/35/56/350583556.db2.gz GHJFUCUJBYHODC-GUBZILKMSA-N 1 2 243.307 -0.861 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)N[C@H]1C[C@H](O)C1 ZINC000637440024 350583489 /nfs/dbraw/zinc/58/34/89/350583489.db2.gz GHJFUCUJBYHODC-OPRDCNLKSA-N 1 2 243.307 -0.861 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@H]1C[C@H](O)C1 ZINC000637440024 350583487 /nfs/dbraw/zinc/58/34/87/350583487.db2.gz GHJFUCUJBYHODC-OPRDCNLKSA-N 1 2 243.307 -0.861 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)N[C@H]1C[C@@H](O)C1 ZINC000637440146 350583582 /nfs/dbraw/zinc/58/35/82/350583582.db2.gz GHJFUCUJBYHODC-BBBLOLIVSA-N 1 2 243.307 -0.861 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@H]1C[C@@H](O)C1 ZINC000637440146 350583579 /nfs/dbraw/zinc/58/35/79/350583579.db2.gz GHJFUCUJBYHODC-BBBLOLIVSA-N 1 2 243.307 -0.861 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1C[C@@H](O)C1 ZINC000637440147 350583534 /nfs/dbraw/zinc/58/35/34/350583534.db2.gz GHJFUCUJBYHODC-LPEHRKFASA-N 1 2 243.307 -0.861 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1C[C@@H](O)C1 ZINC000637440147 350583533 /nfs/dbraw/zinc/58/35/33/350583533.db2.gz GHJFUCUJBYHODC-LPEHRKFASA-N 1 2 243.307 -0.861 20 0 BBADLO CC[C@@H](O)CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637440410 350581123 /nfs/dbraw/zinc/58/11/23/350581123.db2.gz KCOAGVXYPSRIDY-NXEZZACHSA-N 1 2 245.323 -0.613 20 0 BBADLO CC[C@@H](O)CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637440410 350581120 /nfs/dbraw/zinc/58/11/20/350581120.db2.gz KCOAGVXYPSRIDY-NXEZZACHSA-N 1 2 245.323 -0.613 20 0 BBADLO CC[C@H](O)CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000637440411 350581398 /nfs/dbraw/zinc/58/13/98/350581398.db2.gz KCOAGVXYPSRIDY-UWVGGRQHSA-N 1 2 245.323 -0.613 20 0 BBADLO CC[C@H](O)CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637440411 350581397 /nfs/dbraw/zinc/58/13/97/350581397.db2.gz KCOAGVXYPSRIDY-UWVGGRQHSA-N 1 2 245.323 -0.613 20 0 BBADLO CC[C@@H](O)CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000637440412 350580958 /nfs/dbraw/zinc/58/09/58/350580958.db2.gz KCOAGVXYPSRIDY-VHSXEESVSA-N 1 2 245.323 -0.613 20 0 BBADLO CC[C@@H](O)CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637440412 350580954 /nfs/dbraw/zinc/58/09/54/350580954.db2.gz KCOAGVXYPSRIDY-VHSXEESVSA-N 1 2 245.323 -0.613 20 0 BBADLO CC[C@H](O)CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637440413 350581375 /nfs/dbraw/zinc/58/13/75/350581375.db2.gz KCOAGVXYPSRIDY-ZJUUUORDSA-N 1 2 245.323 -0.613 20 0 BBADLO CC[C@H](O)CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637440413 350581373 /nfs/dbraw/zinc/58/13/73/350581373.db2.gz KCOAGVXYPSRIDY-ZJUUUORDSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@H](O)CCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000637440740 350581777 /nfs/dbraw/zinc/58/17/77/350581777.db2.gz RUFHFQXGHVQQIE-UWVGGRQHSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@H](O)CCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637440740 350581775 /nfs/dbraw/zinc/58/17/75/350581775.db2.gz RUFHFQXGHVQQIE-UWVGGRQHSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@H](O)CCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637440741 350582114 /nfs/dbraw/zinc/58/21/14/350582114.db2.gz RUFHFQXGHVQQIE-VHSXEESVSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@H](O)CCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637440741 350582110 /nfs/dbraw/zinc/58/21/10/350582110.db2.gz RUFHFQXGHVQQIE-VHSXEESVSA-N 1 2 245.323 -0.613 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)NC/C=C\CO ZINC000637441120 350581802 /nfs/dbraw/zinc/58/18/02/350581802.db2.gz YTPCDEWWQRJOOC-MXQLGCADSA-N 1 2 243.307 -0.835 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NC/C=C\CO ZINC000637441120 350581800 /nfs/dbraw/zinc/58/18/00/350581800.db2.gz YTPCDEWWQRJOOC-MXQLGCADSA-N 1 2 243.307 -0.835 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NC/C=C/CO ZINC000637441121 350581785 /nfs/dbraw/zinc/58/17/85/350581785.db2.gz YTPCDEWWQRJOOC-PBKGFPTLSA-N 1 2 243.307 -0.835 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NC/C=C/CO ZINC000637441121 350581783 /nfs/dbraw/zinc/58/17/83/350581783.db2.gz YTPCDEWWQRJOOC-PBKGFPTLSA-N 1 2 243.307 -0.835 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)NC/C=C/CO ZINC000637441122 350582035 /nfs/dbraw/zinc/58/20/35/350582035.db2.gz YTPCDEWWQRJOOC-VMZHVLLKSA-N 1 2 243.307 -0.835 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NC/C=C/CO ZINC000637441122 350582033 /nfs/dbraw/zinc/58/20/33/350582033.db2.gz YTPCDEWWQRJOOC-VMZHVLLKSA-N 1 2 243.307 -0.835 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NC/C=C\CO ZINC000637441123 350582332 /nfs/dbraw/zinc/58/23/32/350582332.db2.gz YTPCDEWWQRJOOC-ZMWSMAPVSA-N 1 2 243.307 -0.835 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NC/C=C\CO ZINC000637441123 350582329 /nfs/dbraw/zinc/58/23/29/350582329.db2.gz YTPCDEWWQRJOOC-ZMWSMAPVSA-N 1 2 243.307 -0.835 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCCCCO ZINC000637441408 350582719 /nfs/dbraw/zinc/58/27/19/350582719.db2.gz LSEZPFJTELMBPJ-JTQLQIEISA-N 1 2 245.323 -0.611 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCCCO ZINC000637441408 350582717 /nfs/dbraw/zinc/58/27/17/350582717.db2.gz LSEZPFJTELMBPJ-JTQLQIEISA-N 1 2 245.323 -0.611 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)NCCCCO ZINC000637441409 350582531 /nfs/dbraw/zinc/58/25/31/350582531.db2.gz LSEZPFJTELMBPJ-SNVBAGLBSA-N 1 2 245.323 -0.611 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCCCCO ZINC000637441409 350582528 /nfs/dbraw/zinc/58/25/28/350582528.db2.gz LSEZPFJTELMBPJ-SNVBAGLBSA-N 1 2 245.323 -0.611 20 0 BBADLO CN(CCCO)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637441734 350582967 /nfs/dbraw/zinc/58/29/67/350582967.db2.gz ODCBMZPTPDAMJH-JTQLQIEISA-N 1 2 245.323 -0.659 20 0 BBADLO CN(CCCO)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637441734 350582964 /nfs/dbraw/zinc/58/29/64/350582964.db2.gz ODCBMZPTPDAMJH-JTQLQIEISA-N 1 2 245.323 -0.659 20 0 BBADLO CN(CCCO)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637441735 350583017 /nfs/dbraw/zinc/58/30/17/350583017.db2.gz ODCBMZPTPDAMJH-SNVBAGLBSA-N 1 2 245.323 -0.659 20 0 BBADLO CN(CCCO)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637441735 350583013 /nfs/dbraw/zinc/58/30/13/350583013.db2.gz ODCBMZPTPDAMJH-SNVBAGLBSA-N 1 2 245.323 -0.659 20 0 BBADLO C[C@@H](O)CN(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637442242 350583553 /nfs/dbraw/zinc/58/35/53/350583553.db2.gz QDRIIFBFSMWLNG-NXEZZACHSA-N 1 2 245.323 -0.661 20 0 BBADLO C[C@@H](O)CN(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637442242 350583551 /nfs/dbraw/zinc/58/35/51/350583551.db2.gz QDRIIFBFSMWLNG-NXEZZACHSA-N 1 2 245.323 -0.661 20 0 BBADLO C[C@@H](O)CN(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637442243 350583662 /nfs/dbraw/zinc/58/36/62/350583662.db2.gz QDRIIFBFSMWLNG-ZJUUUORDSA-N 1 2 245.323 -0.661 20 0 BBADLO C[C@@H](O)CN(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637442243 350583661 /nfs/dbraw/zinc/58/36/61/350583661.db2.gz QDRIIFBFSMWLNG-ZJUUUORDSA-N 1 2 245.323 -0.661 20 0 BBADLO C[C@@H](O)CCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637442590 350586183 /nfs/dbraw/zinc/58/61/83/350586183.db2.gz RUFHFQXGHVQQIE-NXEZZACHSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@@H](O)CCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637442590 350586179 /nfs/dbraw/zinc/58/61/79/350586179.db2.gz RUFHFQXGHVQQIE-NXEZZACHSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@@H](O)CCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000637442592 350585889 /nfs/dbraw/zinc/58/58/89/350585889.db2.gz RUFHFQXGHVQQIE-ZJUUUORDSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@@H](O)CCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637442592 350585885 /nfs/dbraw/zinc/58/58/85/350585885.db2.gz RUFHFQXGHVQQIE-ZJUUUORDSA-N 1 2 245.323 -0.613 20 0 BBADLO C[C@H](CO)N(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637443165 350584448 /nfs/dbraw/zinc/58/44/48/350584448.db2.gz VPJLSOIWILTMAO-NXEZZACHSA-N 1 2 245.323 -0.661 20 0 BBADLO C[C@H](CO)N(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637443165 350584446 /nfs/dbraw/zinc/58/44/46/350584446.db2.gz VPJLSOIWILTMAO-NXEZZACHSA-N 1 2 245.323 -0.661 20 0 BBADLO C[C@@H](CO)N(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637443166 350584192 /nfs/dbraw/zinc/58/41/92/350584192.db2.gz VPJLSOIWILTMAO-UWVGGRQHSA-N 1 2 245.323 -0.661 20 0 BBADLO C[C@@H](CO)N(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637443166 350584190 /nfs/dbraw/zinc/58/41/90/350584190.db2.gz VPJLSOIWILTMAO-UWVGGRQHSA-N 1 2 245.323 -0.661 20 0 BBADLO C[C@@H](CO)N(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637443168 350584428 /nfs/dbraw/zinc/58/44/28/350584428.db2.gz VPJLSOIWILTMAO-VHSXEESVSA-N 1 2 245.323 -0.661 20 0 BBADLO C[C@@H](CO)N(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637443168 350584425 /nfs/dbraw/zinc/58/44/25/350584425.db2.gz VPJLSOIWILTMAO-VHSXEESVSA-N 1 2 245.323 -0.661 20 0 BBADLO C[C@H](CO)N(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637443169 350584254 /nfs/dbraw/zinc/58/42/54/350584254.db2.gz VPJLSOIWILTMAO-ZJUUUORDSA-N 1 2 245.323 -0.661 20 0 BBADLO C[C@H](CO)N(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637443169 350584253 /nfs/dbraw/zinc/58/42/53/350584253.db2.gz VPJLSOIWILTMAO-ZJUUUORDSA-N 1 2 245.323 -0.661 20 0 BBADLO C[C@H](O)CN(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637444301 350585476 /nfs/dbraw/zinc/58/54/76/350585476.db2.gz QDRIIFBFSMWLNG-UWVGGRQHSA-N 1 2 245.323 -0.661 20 0 BBADLO C[C@H](O)CN(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637444301 350585474 /nfs/dbraw/zinc/58/54/74/350585474.db2.gz QDRIIFBFSMWLNG-UWVGGRQHSA-N 1 2 245.323 -0.661 20 0 BBADLO C[C@H](O)CN(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637444303 350585040 /nfs/dbraw/zinc/58/50/40/350585040.db2.gz QDRIIFBFSMWLNG-VHSXEESVSA-N 1 2 245.323 -0.661 20 0 BBADLO C[C@H](O)CN(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637444303 350585037 /nfs/dbraw/zinc/58/50/37/350585037.db2.gz QDRIIFBFSMWLNG-VHSXEESVSA-N 1 2 245.323 -0.661 20 0 BBADLO CCN(CCO)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637445787 350586859 /nfs/dbraw/zinc/58/68/59/350586859.db2.gz HRGQRMVVVUKZCM-JTQLQIEISA-N 1 2 245.323 -0.659 20 0 BBADLO CCN(CCO)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637445787 350586857 /nfs/dbraw/zinc/58/68/57/350586857.db2.gz HRGQRMVVVUKZCM-JTQLQIEISA-N 1 2 245.323 -0.659 20 0 BBADLO CCN(CCO)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637445795 350587155 /nfs/dbraw/zinc/58/71/55/350587155.db2.gz HRGQRMVVVUKZCM-SNVBAGLBSA-N 1 2 245.323 -0.659 20 0 BBADLO CCN(CCO)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637445795 350587152 /nfs/dbraw/zinc/58/71/52/350587152.db2.gz HRGQRMVVVUKZCM-SNVBAGLBSA-N 1 2 245.323 -0.659 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)NCC(C)(C)O ZINC000637447710 350585927 /nfs/dbraw/zinc/58/59/27/350585927.db2.gz QJORUIKUZLZKDY-SECBINFHSA-N 1 2 245.323 -0.613 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCC(C)(C)O ZINC000637447710 350585924 /nfs/dbraw/zinc/58/59/24/350585924.db2.gz QJORUIKUZLZKDY-SECBINFHSA-N 1 2 245.323 -0.613 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCC(C)(C)O ZINC000637447711 350586072 /nfs/dbraw/zinc/58/60/72/350586072.db2.gz QJORUIKUZLZKDY-VIFPVBQESA-N 1 2 245.323 -0.613 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC(C)(C)O ZINC000637447711 350586069 /nfs/dbraw/zinc/58/60/69/350586069.db2.gz QJORUIKUZLZKDY-VIFPVBQESA-N 1 2 245.323 -0.613 20 0 BBADLO O=c1ccc(C[NH+]2CCN(CCO)CC2)c[nH]1 ZINC000637810442 351651274 /nfs/dbraw/zinc/65/12/74/351651274.db2.gz FVNQQHPUECLNBA-UHFFFAOYSA-N 1 2 237.303 -0.103 20 0 BBADLO Nc1nc(N)c(CN2CC(n3cccn3)C2)c[nH+]1 ZINC000637816461 351655610 /nfs/dbraw/zinc/65/56/10/351655610.db2.gz LYEVBUNJHLEPES-UHFFFAOYSA-N 1 2 245.290 -0.445 20 0 BBADLO C[C@@H]1C[NH2+]CCN1C(=O)Cc1ncn[nH]1 ZINC000637817239 351661371 /nfs/dbraw/zinc/66/13/71/351661371.db2.gz QLZIZHVHBQUDBV-SSDOTTSWSA-N 1 2 209.253 -0.833 20 0 BBADLO C[C@H]1C[NH2+]CCN1C(=O)Cc1ncn[nH]1 ZINC000637817240 351661504 /nfs/dbraw/zinc/66/15/04/351661504.db2.gz QLZIZHVHBQUDBV-ZETCQYMHSA-N 1 2 209.253 -0.833 20 0 BBADLO C[C@@]1(C(=O)Nc2ccc(N)[nH+]c2)CCNC1=O ZINC000637829487 411916820 /nfs/dbraw/zinc/91/68/20/411916820.db2.gz MCICAGXUQAQONL-LLVKDONJSA-N 1 2 234.259 0.129 20 0 BBADLO C[C@]1(C(=O)Nc2ccc(N)[nH+]c2)CCNC1=O ZINC000637829488 411932009 /nfs/dbraw/zinc/93/20/09/411932009.db2.gz MCICAGXUQAQONL-NSHDSACASA-N 1 2 234.259 0.129 20 0 BBADLO C[C@@H]1CN(C(=O)CCc2nn[nH]n2)C[C@@H](C)[NH2+]1 ZINC000637838898 351689043 /nfs/dbraw/zinc/68/90/43/351689043.db2.gz CFKRMKKJXOITKA-HTQZYQBOSA-N 1 2 238.295 -0.659 20 0 BBADLO C[C@@H]1CN(C(=O)CCc2nn[nH]n2)C[C@H](C)[NH2+]1 ZINC000637838899 351688985 /nfs/dbraw/zinc/68/89/85/351688985.db2.gz CFKRMKKJXOITKA-OCAPTIKFSA-N 1 2 238.295 -0.659 20 0 BBADLO C[C@H]1CN(C(=O)CCc2nn[nH]n2)C[C@H](C)[NH2+]1 ZINC000637838900 351688516 /nfs/dbraw/zinc/68/85/16/351688516.db2.gz CFKRMKKJXOITKA-YUMQZZPRSA-N 1 2 238.295 -0.659 20 0 BBADLO C[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@@H](C)[NH2+]1 ZINC000637839490 351689618 /nfs/dbraw/zinc/68/96/18/351689618.db2.gz JSCXMZHGLQAKBS-HTQZYQBOSA-N 1 2 223.280 -0.444 20 0 BBADLO C[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H](C)[NH2+]1 ZINC000637839492 351689770 /nfs/dbraw/zinc/68/97/70/351689770.db2.gz JSCXMZHGLQAKBS-OCAPTIKFSA-N 1 2 223.280 -0.444 20 0 BBADLO C[C@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H](C)[NH2+]1 ZINC000637839494 351689495 /nfs/dbraw/zinc/68/94/95/351689495.db2.gz JSCXMZHGLQAKBS-YUMQZZPRSA-N 1 2 223.280 -0.444 20 0 BBADLO C[C@@H]1CN(C(=O)Cc2ncn[nH]2)CC[NH2+]1 ZINC000637842999 351701422 /nfs/dbraw/zinc/70/14/22/351701422.db2.gz YATDMHPJVSUFDI-SSDOTTSWSA-N 1 2 209.253 -0.833 20 0 BBADLO C[C@H]1CN(C(=O)Cc2ncn[nH]2)CC[NH2+]1 ZINC000637843000 351701827 /nfs/dbraw/zinc/70/18/27/351701827.db2.gz YATDMHPJVSUFDI-ZETCQYMHSA-N 1 2 209.253 -0.833 20 0 BBADLO O=C1C[N@@H+](Cc2c[nH]c3ncncc23)CCN1 ZINC000637846401 351704554 /nfs/dbraw/zinc/70/45/54/351704554.db2.gz CCVLBXQWICNWLN-UHFFFAOYSA-N 1 2 231.259 -0.159 20 0 BBADLO O=C1C[N@H+](Cc2c[nH]c3ncncc23)CCN1 ZINC000637846401 351704550 /nfs/dbraw/zinc/70/45/50/351704550.db2.gz CCVLBXQWICNWLN-UHFFFAOYSA-N 1 2 231.259 -0.159 20 0 BBADLO CC(C)(C[N@H+]1CCNC(=O)C1)N1CCOCC1 ZINC000637847243 351705068 /nfs/dbraw/zinc/70/50/68/351705068.db2.gz HRCIYPHOZDISGU-UHFFFAOYSA-N 1 2 241.335 -0.471 20 0 BBADLO CC(C)(C[N@@H+]1CCNC(=O)C1)N1CCOCC1 ZINC000637847243 351705067 /nfs/dbraw/zinc/70/50/67/351705067.db2.gz HRCIYPHOZDISGU-UHFFFAOYSA-N 1 2 241.335 -0.471 20 0 BBADLO CC(C)(CN1CCNC(=O)C1)[NH+]1CCOCC1 ZINC000637847243 351705064 /nfs/dbraw/zinc/70/50/64/351705064.db2.gz HRCIYPHOZDISGU-UHFFFAOYSA-N 1 2 241.335 -0.471 20 0 BBADLO O=c1ccc(C[N@H+]2CCNC(=O)C2)c[nH]1 ZINC000637849638 351706888 /nfs/dbraw/zinc/70/68/88/351706888.db2.gz RLANYUQHPVBCAI-UHFFFAOYSA-N 1 2 207.233 -0.281 20 0 BBADLO O=c1ccc(C[N@@H+]2CCNC(=O)C2)c[nH]1 ZINC000637849638 351706886 /nfs/dbraw/zinc/70/68/86/351706886.db2.gz RLANYUQHPVBCAI-UHFFFAOYSA-N 1 2 207.233 -0.281 20 0 BBADLO O=C1CN(Cc2cc3c(c[nH+]2)OCCO3)CCN1 ZINC000637850352 351707232 /nfs/dbraw/zinc/70/72/32/351707232.db2.gz WVEXRZGBYUBRIZ-UHFFFAOYSA-N 1 2 249.270 -0.215 20 0 BBADLO CO[C@H](C[N@H+]1CCNC(=O)C1)C1CCOCC1 ZINC000637850663 351708128 /nfs/dbraw/zinc/70/81/28/351708128.db2.gz XRBOTWKAIBMADE-LLVKDONJSA-N 1 2 242.319 -0.140 20 0 BBADLO CO[C@H](C[N@@H+]1CCNC(=O)C1)C1CCOCC1 ZINC000637850663 351708125 /nfs/dbraw/zinc/70/81/25/351708125.db2.gz XRBOTWKAIBMADE-LLVKDONJSA-N 1 2 242.319 -0.140 20 0 BBADLO CO[C@@H](C[N@H+]1CCNC(=O)C1)C1CCOCC1 ZINC000637850664 351708282 /nfs/dbraw/zinc/70/82/82/351708282.db2.gz XRBOTWKAIBMADE-NSHDSACASA-N 1 2 242.319 -0.140 20 0 BBADLO CO[C@@H](C[N@@H+]1CCNC(=O)C1)C1CCOCC1 ZINC000637850664 351708280 /nfs/dbraw/zinc/70/82/80/351708280.db2.gz XRBOTWKAIBMADE-NSHDSACASA-N 1 2 242.319 -0.140 20 0 BBADLO CC(C)CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637868449 351733276 /nfs/dbraw/zinc/73/32/76/351733276.db2.gz CIRUWYGTMRXWDV-JTQLQIEISA-N 1 2 241.335 -0.031 20 0 BBADLO CC(C)CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637868454 351733257 /nfs/dbraw/zinc/73/32/57/351733257.db2.gz CIRUWYGTMRXWDV-SNVBAGLBSA-N 1 2 241.335 -0.031 20 0 BBADLO CC[C@@H](C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637868513 351733271 /nfs/dbraw/zinc/73/32/71/351733271.db2.gz OHKBYAHLMCEWNP-BDAKNGLRSA-N 1 2 227.308 -0.279 20 0 BBADLO CC[C@H](C)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637868514 351733318 /nfs/dbraw/zinc/73/33/18/351733318.db2.gz OHKBYAHLMCEWNP-DTWKUNHWSA-N 1 2 227.308 -0.279 20 0 BBADLO CC[C@H](C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637868515 351733309 /nfs/dbraw/zinc/73/33/09/351733309.db2.gz OHKBYAHLMCEWNP-IUCAKERBSA-N 1 2 227.308 -0.279 20 0 BBADLO CC[C@@H](C)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637868516 351732783 /nfs/dbraw/zinc/73/27/83/351732783.db2.gz OHKBYAHLMCEWNP-RKDXNWHRSA-N 1 2 227.308 -0.279 20 0 BBADLO CC(C)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637868807 351728221 /nfs/dbraw/zinc/72/82/21/351728221.db2.gz ZQTJZZYZWFQMDC-MRVPVSSYSA-N 1 2 213.281 -0.669 20 0 BBADLO CC(C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637868810 351728187 /nfs/dbraw/zinc/72/81/87/351728187.db2.gz ZQTJZZYZWFQMDC-QMMMGPOBSA-N 1 2 213.281 -0.669 20 0 BBADLO C[C@H](C(=O)N1CCCC1)N1CC[NH2+]CC1=O ZINC000637868875 351728309 /nfs/dbraw/zinc/72/83/09/351728309.db2.gz PZYYYHOZBSUTNE-SECBINFHSA-N 1 2 225.292 -0.571 20 0 BBADLO C[C@@H](C(=O)N1CCCC1)N1CC[NH2+]CC1=O ZINC000637868877 351728304 /nfs/dbraw/zinc/72/83/04/351728304.db2.gz PZYYYHOZBSUTNE-VIFPVBQESA-N 1 2 225.292 -0.571 20 0 BBADLO C[C@H](C(=O)NC(C)(C)C)N1CC[NH2+]CC1=O ZINC000637870733 351736568 /nfs/dbraw/zinc/73/65/68/351736568.db2.gz JFFRCQMMQCVSHF-MRVPVSSYSA-N 1 2 227.308 -0.279 20 0 BBADLO C[C@@H](C(=O)NC(C)(C)C)N1CC[NH2+]CC1=O ZINC000637870734 351736736 /nfs/dbraw/zinc/73/67/36/351736736.db2.gz JFFRCQMMQCVSHF-QMMMGPOBSA-N 1 2 227.308 -0.279 20 0 BBADLO CCN(CC)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637871036 351737363 /nfs/dbraw/zinc/73/73/63/351737363.db2.gz MFWAJUBYSZUBRC-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CCN(CC)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637871037 351737166 /nfs/dbraw/zinc/73/71/66/351737166.db2.gz MFWAJUBYSZUBRC-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO C[C@H](C(=O)NC1CCCC1)N1CC[NH2+]CC1=O ZINC000637872166 351734894 /nfs/dbraw/zinc/73/48/94/351734894.db2.gz FZJHTJMALRUQDY-SECBINFHSA-N 1 2 239.319 -0.135 20 0 BBADLO C[C@@H](C(=O)NC1CCCC1)N1CC[NH2+]CC1=O ZINC000637872167 351734880 /nfs/dbraw/zinc/73/48/80/351734880.db2.gz FZJHTJMALRUQDY-VIFPVBQESA-N 1 2 239.319 -0.135 20 0 BBADLO CCCCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637872176 351734840 /nfs/dbraw/zinc/73/48/40/351734840.db2.gz YPHSMNLERAGNCG-SECBINFHSA-N 1 2 227.308 -0.277 20 0 BBADLO CCCCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637872177 351734828 /nfs/dbraw/zinc/73/48/28/351734828.db2.gz YPHSMNLERAGNCG-VIFPVBQESA-N 1 2 227.308 -0.277 20 0 BBADLO Cn1cc(C[N@@H+](C)Cc2cnc(N)nc2N)cn1 ZINC000637872272 351734679 /nfs/dbraw/zinc/73/46/79/351734679.db2.gz XCSGFXMMFHIXMG-UHFFFAOYSA-N 1 2 247.306 -0.333 20 0 BBADLO Cn1cc(C[N@H+](C)Cc2cnc(N)nc2N)cn1 ZINC000637872272 351734678 /nfs/dbraw/zinc/73/46/78/351734678.db2.gz XCSGFXMMFHIXMG-UHFFFAOYSA-N 1 2 247.306 -0.333 20 0 BBADLO CN(Cc1cnn(C)c1)Cc1c[nH+]c(N)nc1N ZINC000637872272 351734673 /nfs/dbraw/zinc/73/46/73/351734673.db2.gz XCSGFXMMFHIXMG-UHFFFAOYSA-N 1 2 247.306 -0.333 20 0 BBADLO C[C@H](C(=O)NC1CC1)N1CC[NH2+]CC1=O ZINC000637872360 351734947 /nfs/dbraw/zinc/73/49/47/351734947.db2.gz JBHOSNJBECEPOA-SSDOTTSWSA-N 1 2 211.265 -0.915 20 0 BBADLO C[C@@H](C(=O)NC1CC1)N1CC[NH2+]CC1=O ZINC000637872366 351734754 /nfs/dbraw/zinc/73/47/54/351734754.db2.gz JBHOSNJBECEPOA-ZETCQYMHSA-N 1 2 211.265 -0.915 20 0 BBADLO CC(C)CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637872908 351739057 /nfs/dbraw/zinc/73/90/57/351739057.db2.gz ZIRCTHHTJLLAQS-SECBINFHSA-N 1 2 227.308 -0.421 20 0 BBADLO CC(C)CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637872912 351738825 /nfs/dbraw/zinc/73/88/25/351738825.db2.gz ZIRCTHHTJLLAQS-VIFPVBQESA-N 1 2 227.308 -0.421 20 0 BBADLO CC(C)N(C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637876037 351741559 /nfs/dbraw/zinc/74/15/59/351741559.db2.gz ZLHRETFUZYUTBA-SECBINFHSA-N 1 2 227.308 -0.327 20 0 BBADLO CC(C)N(C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637876045 351741590 /nfs/dbraw/zinc/74/15/90/351741590.db2.gz ZLHRETFUZYUTBA-VIFPVBQESA-N 1 2 227.308 -0.327 20 0 BBADLO CCCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637876319 351741647 /nfs/dbraw/zinc/74/16/47/351741647.db2.gz KHXUIPXRSJLHIS-MRVPVSSYSA-N 1 2 213.281 -0.667 20 0 BBADLO CCCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637876320 351741902 /nfs/dbraw/zinc/74/19/02/351741902.db2.gz KHXUIPXRSJLHIS-QMMMGPOBSA-N 1 2 213.281 -0.667 20 0 BBADLO C[C@@H]1CN(Cc2c[nH+]c(N)nc2N)CCO1 ZINC000637882682 351749713 /nfs/dbraw/zinc/74/97/13/351749713.db2.gz IXNQZHSIKWDUAS-SSDOTTSWSA-N 1 2 223.280 -0.478 20 0 BBADLO C[C@H]1CN(Cc2c[nH+]c(N)nc2N)CCO1 ZINC000637882888 351750541 /nfs/dbraw/zinc/75/05/41/351750541.db2.gz IXNQZHSIKWDUAS-ZETCQYMHSA-N 1 2 223.280 -0.478 20 0 BBADLO Nc1ncc(C[NH+]2CCSCC2)c(N)n1 ZINC000637888295 351757629 /nfs/dbraw/zinc/75/76/29/351757629.db2.gz BNFPVSYLZPKPEV-UHFFFAOYSA-N 1 2 225.321 -0.149 20 0 BBADLO CC[C@@H]1CN(Cc2c[nH+]c(N)nc2N)CCO1 ZINC000637889261 351757548 /nfs/dbraw/zinc/75/75/48/351757548.db2.gz MTKNECHHSDPLLO-SECBINFHSA-N 1 2 237.307 -0.087 20 0 BBADLO CC[C@H]1CN(Cc2c[nH+]c(N)nc2N)CCO1 ZINC000637889262 351757363 /nfs/dbraw/zinc/75/73/63/351757363.db2.gz MTKNECHHSDPLLO-VIFPVBQESA-N 1 2 237.307 -0.087 20 0 BBADLO CN(CC(N)=O)Cc1cc2c(c[nH+]1)OCCO2 ZINC000637894291 351766080 /nfs/dbraw/zinc/76/60/80/351766080.db2.gz PVALNDAVIPGVKN-UHFFFAOYSA-N 1 2 237.259 -0.230 20 0 BBADLO C[C@H](C(=O)NCC1CC1)N1CC[NH2+]CC1=O ZINC000637902825 351774833 /nfs/dbraw/zinc/77/48/33/351774833.db2.gz UZZQWZUFXWENAU-MRVPVSSYSA-N 1 2 225.292 -0.667 20 0 BBADLO C[C@@H](C(=O)NCC1CC1)N1CC[NH2+]CC1=O ZINC000637902826 351774742 /nfs/dbraw/zinc/77/47/42/351774742.db2.gz UZZQWZUFXWENAU-QMMMGPOBSA-N 1 2 225.292 -0.667 20 0 BBADLO CCCN(C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637907377 351777554 /nfs/dbraw/zinc/77/75/54/351777554.db2.gz NLSJGZYQLIXBEP-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CCCN(C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637907378 351778121 /nfs/dbraw/zinc/77/81/21/351778121.db2.gz NLSJGZYQLIXBEP-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO C[C@H](C(=O)NCC(C)(C)C)N1CC[NH2+]CC1=O ZINC000637909446 351779684 /nfs/dbraw/zinc/77/96/84/351779684.db2.gz IVNVJXSBCHIILI-SECBINFHSA-N 1 2 241.335 -0.031 20 0 BBADLO C[C@@H](C(=O)NCC(C)(C)C)N1CC[NH2+]CC1=O ZINC000637909448 351779214 /nfs/dbraw/zinc/77/92/14/351779214.db2.gz IVNVJXSBCHIILI-VIFPVBQESA-N 1 2 241.335 -0.031 20 0 BBADLO CC(C)CN(C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637909966 351781320 /nfs/dbraw/zinc/78/13/20/351781320.db2.gz XDNUHPRXWXRQMP-JTQLQIEISA-N 1 2 241.335 -0.079 20 0 BBADLO CC(C)CN(C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637909967 351781740 /nfs/dbraw/zinc/78/17/40/351781740.db2.gz XDNUHPRXWXRQMP-SNVBAGLBSA-N 1 2 241.335 -0.079 20 0 BBADLO CCN(C(=O)[C@@H](C)N1CC[NH2+]CC1=O)C1CC1 ZINC000637917177 351791458 /nfs/dbraw/zinc/79/14/58/351791458.db2.gz KYLRUGOMPBDQQV-SECBINFHSA-N 1 2 239.319 -0.182 20 0 BBADLO CCN(C(=O)[C@H](C)N1CC[NH2+]CC1=O)C1CC1 ZINC000637917178 351791666 /nfs/dbraw/zinc/79/16/66/351791666.db2.gz KYLRUGOMPBDQQV-VIFPVBQESA-N 1 2 239.319 -0.182 20 0 BBADLO C[C@H](C(=O)N(C)C1CC1)N1CC[NH2+]CC1=O ZINC000637921599 351796650 /nfs/dbraw/zinc/79/66/50/351796650.db2.gz GDPYFMGAVOMSSY-MRVPVSSYSA-N 1 2 225.292 -0.573 20 0 BBADLO C[C@@H](C(=O)N(C)C1CC1)N1CC[NH2+]CC1=O ZINC000637921600 351796591 /nfs/dbraw/zinc/79/65/91/351796591.db2.gz GDPYFMGAVOMSSY-QMMMGPOBSA-N 1 2 225.292 -0.573 20 0 BBADLO C[C@H](C(=O)NC[C@@H]1C[C@H]1C)N1CC[NH2+]CC1=O ZINC000637925075 351798567 /nfs/dbraw/zinc/79/85/67/351798567.db2.gz HNPMSGGJJUVZIT-BBBLOLIVSA-N 1 2 239.319 -0.421 20 0 BBADLO C[C@@H](C(=O)NC[C@H]1C[C@H]1C)N1CC[NH2+]CC1=O ZINC000637925076 351798665 /nfs/dbraw/zinc/79/86/65/351798665.db2.gz HNPMSGGJJUVZIT-KXUCPTDWSA-N 1 2 239.319 -0.421 20 0 BBADLO C[C@H](C(=O)NC[C@H]1C[C@H]1C)N1CC[NH2+]CC1=O ZINC000637925077 351798432 /nfs/dbraw/zinc/79/84/32/351798432.db2.gz HNPMSGGJJUVZIT-OPRDCNLKSA-N 1 2 239.319 -0.421 20 0 BBADLO C[C@@H](C(=O)NC[C@@H]1C[C@H]1C)N1CC[NH2+]CC1=O ZINC000637925078 351798367 /nfs/dbraw/zinc/79/83/67/351798367.db2.gz HNPMSGGJJUVZIT-UTLUCORTSA-N 1 2 239.319 -0.421 20 0 BBADLO C[C@H](C(=O)NCC1CCC1)N1CC[NH2+]CC1=O ZINC000637925743 351799100 /nfs/dbraw/zinc/79/91/00/351799100.db2.gz LQTZPXDJSYJDKS-SECBINFHSA-N 1 2 239.319 -0.277 20 0 BBADLO C[C@@H](C(=O)NCC1CCC1)N1CC[NH2+]CC1=O ZINC000637925744 351799484 /nfs/dbraw/zinc/79/94/84/351799484.db2.gz LQTZPXDJSYJDKS-VIFPVBQESA-N 1 2 239.319 -0.277 20 0 BBADLO C[C@H](C(=O)NC1CCC1)N1CC[NH2+]CC1=O ZINC000637928068 351803409 /nfs/dbraw/zinc/80/34/09/351803409.db2.gz UAPNPOPGSFBGHM-MRVPVSSYSA-N 1 2 225.292 -0.525 20 0 BBADLO C[C@@H](C(=O)NC1CCC1)N1CC[NH2+]CC1=O ZINC000637928073 351803315 /nfs/dbraw/zinc/80/33/15/351803315.db2.gz UAPNPOPGSFBGHM-QMMMGPOBSA-N 1 2 225.292 -0.525 20 0 BBADLO C[C@@H]1CN(Cc2c[nH+]c(N)nc2N)[C@H](C)CO1 ZINC000637929787 351804184 /nfs/dbraw/zinc/80/41/84/351804184.db2.gz GNNHSCPUHNIPJJ-HTQZYQBOSA-N 1 2 237.307 -0.089 20 0 BBADLO C[C@@H]1CN(Cc2c[nH+]c(N)nc2N)[C@@H](C)CO1 ZINC000637929788 351804153 /nfs/dbraw/zinc/80/41/53/351804153.db2.gz GNNHSCPUHNIPJJ-JGVFFNPUSA-N 1 2 237.307 -0.089 20 0 BBADLO C[C@@H]1CO[C@@H](C)CN1Cc1c[nH+]c(N)nc1N ZINC000637929789 351804129 /nfs/dbraw/zinc/80/41/29/351804129.db2.gz GNNHSCPUHNIPJJ-SFYZADRCSA-N 1 2 237.307 -0.089 20 0 BBADLO C[C@H]1CN(Cc2c[nH+]c(N)nc2N)[C@@H](C)CO1 ZINC000637929821 351804258 /nfs/dbraw/zinc/80/42/58/351804258.db2.gz GNNHSCPUHNIPJJ-YUMQZZPRSA-N 1 2 237.307 -0.089 20 0 BBADLO C[C@H](C(=O)Nc1cn[nH]c1)N1CC[NH2+]CC1=O ZINC000637931511 351807650 /nfs/dbraw/zinc/80/76/50/351807650.db2.gz CCZNFXIWEBFKIH-SSDOTTSWSA-N 1 2 237.263 -0.832 20 0 BBADLO C[C@@H](C(=O)Nc1cn[nH]c1)N1CC[NH2+]CC1=O ZINC000637931517 351807936 /nfs/dbraw/zinc/80/79/36/351807936.db2.gz CCZNFXIWEBFKIH-ZETCQYMHSA-N 1 2 237.263 -0.832 20 0 BBADLO C[C@@H](C(=O)N[C@@H]1C[C@H]1C)N1CC[NH2+]CC1=O ZINC000637936422 411446687 /nfs/dbraw/zinc/44/66/87/411446687.db2.gz TZVHZZCLSGFNEQ-HRDYMLBCSA-N 1 2 225.292 -0.669 20 0 BBADLO C[C@H](C(=O)N[C@@H]1C[C@H]1C)N1CC[NH2+]CC1=O ZINC000637936423 411448920 /nfs/dbraw/zinc/44/89/20/411448920.db2.gz TZVHZZCLSGFNEQ-IWSPIJDZSA-N 1 2 225.292 -0.669 20 0 BBADLO C[C@H](C(=O)N(C)CC1CC1)N1CC[NH2+]CC1=O ZINC000637936586 398045752 /nfs/dbraw/zinc/04/57/52/398045752.db2.gz PGRFTFFTFLOSSH-SECBINFHSA-N 1 2 239.319 -0.325 20 0 BBADLO C[C@@H](C(=O)N(C)CC1CC1)N1CC[NH2+]CC1=O ZINC000637936587 386683587 /nfs/dbraw/zinc/68/35/87/386683587.db2.gz PGRFTFFTFLOSSH-VIFPVBQESA-N 1 2 239.319 -0.325 20 0 BBADLO CC1(C)CN(Cc2c[nH+]c(N)nc2N)CCO1 ZINC000637945000 351820813 /nfs/dbraw/zinc/82/08/13/351820813.db2.gz PSHVLWZKPLYKLG-UHFFFAOYSA-N 1 2 237.307 -0.087 20 0 BBADLO CC[C@@H]1COCCN1Cc1c[nH+]c(N)nc1N ZINC000637948056 398052271 /nfs/dbraw/zinc/05/22/71/398052271.db2.gz IPEVSMNMMPBAEZ-SECBINFHSA-N 1 2 237.307 -0.087 20 0 BBADLO CC[C@H]1COCCN1Cc1c[nH+]c(N)nc1N ZINC000637948057 398052207 /nfs/dbraw/zinc/05/22/07/398052207.db2.gz IPEVSMNMMPBAEZ-VIFPVBQESA-N 1 2 237.307 -0.087 20 0 BBADLO C[C@H](C(=O)N1CC[C@@H](C)C1)N1CC[NH2+]CC1=O ZINC000637949706 351825746 /nfs/dbraw/zinc/82/57/46/351825746.db2.gz XKGYVICZYNVQAP-NXEZZACHSA-N 1 2 239.319 -0.325 20 0 BBADLO C[C@@H](C(=O)N1CC[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000637949710 351825711 /nfs/dbraw/zinc/82/57/11/351825711.db2.gz XKGYVICZYNVQAP-UWVGGRQHSA-N 1 2 239.319 -0.325 20 0 BBADLO C[C@H](C(=O)N1CC[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000637949713 351825658 /nfs/dbraw/zinc/82/56/58/351825658.db2.gz XKGYVICZYNVQAP-VHSXEESVSA-N 1 2 239.319 -0.325 20 0 BBADLO C[C@@H](C(=O)N1CC[C@@H](C)C1)N1CC[NH2+]CC1=O ZINC000637949715 351826181 /nfs/dbraw/zinc/82/61/81/351826181.db2.gz XKGYVICZYNVQAP-ZJUUUORDSA-N 1 2 239.319 -0.325 20 0 BBADLO C[C@H](C(=O)N(C)CC(F)F)N1CC[NH2+]CC1=O ZINC000637956637 351832145 /nfs/dbraw/zinc/83/21/45/351832145.db2.gz YBASNFSUDSDDST-SSDOTTSWSA-N 1 2 249.261 -0.470 20 0 BBADLO C[C@@H](C(=O)N(C)CC(F)F)N1CC[NH2+]CC1=O ZINC000637956638 351832232 /nfs/dbraw/zinc/83/22/32/351832232.db2.gz YBASNFSUDSDDST-ZETCQYMHSA-N 1 2 249.261 -0.470 20 0 BBADLO CC1(C)COCCN1Cc1c[nH+]c(N)nc1N ZINC000637966303 351840107 /nfs/dbraw/zinc/84/01/07/351840107.db2.gz XLIQJIOLVVTRCV-UHFFFAOYSA-N 1 2 237.307 -0.087 20 0 BBADLO CN(Cc1c[nH+]c(N)nc1N)CC(F)F ZINC000637973952 351849522 /nfs/dbraw/zinc/84/95/22/351849522.db2.gz OHPRTPHJEQQABM-UHFFFAOYSA-N 1 2 217.223 -0.001 20 0 BBADLO CCN(C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637974014 351849139 /nfs/dbraw/zinc/84/91/39/351849139.db2.gz OSFTXUSPGWFREC-MRVPVSSYSA-N 1 2 213.281 -0.715 20 0 BBADLO CCN(C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637974017 351849552 /nfs/dbraw/zinc/84/95/52/351849552.db2.gz OSFTXUSPGWFREC-QMMMGPOBSA-N 1 2 213.281 -0.715 20 0 BBADLO C[C@@H](C(=O)NCC(F)F)N1CC[NH2+]CC1=O ZINC000637987136 351860769 /nfs/dbraw/zinc/86/07/69/351860769.db2.gz OQRAKSMIWISDSN-LURJTMIESA-N 1 2 235.234 -0.812 20 0 BBADLO C[C@H](C(=O)NCC(F)F)N1CC[NH2+]CC1=O ZINC000637987137 351861086 /nfs/dbraw/zinc/86/10/86/351861086.db2.gz OQRAKSMIWISDSN-ZCFIWIBFSA-N 1 2 235.234 -0.812 20 0 BBADLO C[C@H](C(=O)N1CCC[C@H]1C)N1CC[NH2+]CC1=O ZINC000637987358 351862077 /nfs/dbraw/zinc/86/20/77/351862077.db2.gz JKTGRICWAYOYRJ-NXEZZACHSA-N 1 2 239.319 -0.182 20 0 BBADLO C[C@@H](C(=O)N1CCC[C@@H]1C)N1CC[NH2+]CC1=O ZINC000637987360 351861959 /nfs/dbraw/zinc/86/19/59/351861959.db2.gz JKTGRICWAYOYRJ-UWVGGRQHSA-N 1 2 239.319 -0.182 20 0 BBADLO C[C@H](C(=O)N1CCC[C@@H]1C)N1CC[NH2+]CC1=O ZINC000637987362 351862032 /nfs/dbraw/zinc/86/20/32/351862032.db2.gz JKTGRICWAYOYRJ-VHSXEESVSA-N 1 2 239.319 -0.182 20 0 BBADLO C[C@@H](C(=O)N1CCC[C@H]1C)N1CC[NH2+]CC1=O ZINC000637987363 351861680 /nfs/dbraw/zinc/86/16/80/351861680.db2.gz JKTGRICWAYOYRJ-ZJUUUORDSA-N 1 2 239.319 -0.182 20 0 BBADLO NC(=O)[C@H]1C[N@@H+](Cc2ccc(=O)[nH]c2)CCO1 ZINC000637989882 351866181 /nfs/dbraw/zinc/86/61/81/351866181.db2.gz AVBYWHDOOXWXJP-SECBINFHSA-N 1 2 237.259 -0.527 20 0 BBADLO NC(=O)[C@H]1C[N@H+](Cc2ccc(=O)[nH]c2)CCO1 ZINC000637989882 351866180 /nfs/dbraw/zinc/86/61/80/351866180.db2.gz AVBYWHDOOXWXJP-SECBINFHSA-N 1 2 237.259 -0.527 20 0 BBADLO NC(=O)[C@@H]1C[N@@H+](Cc2ccc(=O)[nH]c2)CCO1 ZINC000637989883 351865878 /nfs/dbraw/zinc/86/58/78/351865878.db2.gz AVBYWHDOOXWXJP-VIFPVBQESA-N 1 2 237.259 -0.527 20 0 BBADLO NC(=O)[C@@H]1C[N@H+](Cc2ccc(=O)[nH]c2)CCO1 ZINC000637989883 351865877 /nfs/dbraw/zinc/86/58/77/351865877.db2.gz AVBYWHDOOXWXJP-VIFPVBQESA-N 1 2 237.259 -0.527 20 0 BBADLO C[C@H](C(=O)N(C)C1CCC1)N1CC[NH2+]CC1=O ZINC000638000988 351877271 /nfs/dbraw/zinc/87/72/71/351877271.db2.gz AHROMVNURFAKFP-SECBINFHSA-N 1 2 239.319 -0.182 20 0 BBADLO C[C@@H](C(=O)N(C)C1CCC1)N1CC[NH2+]CC1=O ZINC000638000989 351877318 /nfs/dbraw/zinc/87/73/18/351877318.db2.gz AHROMVNURFAKFP-VIFPVBQESA-N 1 2 239.319 -0.182 20 0 BBADLO C[C@H](C(=O)NC1CC(C)C1)N1CC[NH2+]CC1=O ZINC000638004495 351879220 /nfs/dbraw/zinc/87/92/20/351879220.db2.gz BOXYNNXAKCBQHG-HWOCKDDLSA-N 1 2 239.319 -0.279 20 0 BBADLO C[C@@H](C(=O)NC1CC(C)C1)N1CC[NH2+]CC1=O ZINC000638004496 351878990 /nfs/dbraw/zinc/87/89/90/351878990.db2.gz BOXYNNXAKCBQHG-KYHHOPLUSA-N 1 2 239.319 -0.279 20 0 BBADLO C[C@H](C(=O)NCCC1CC1)N1CC[NH2+]CC1=O ZINC000638005681 351878238 /nfs/dbraw/zinc/87/82/38/351878238.db2.gz VCMALCZGKKHPCL-SECBINFHSA-N 1 2 239.319 -0.277 20 0 BBADLO C[C@@H](C(=O)NCCC1CC1)N1CC[NH2+]CC1=O ZINC000638005682 351878355 /nfs/dbraw/zinc/87/83/55/351878355.db2.gz VCMALCZGKKHPCL-VIFPVBQESA-N 1 2 239.319 -0.277 20 0 BBADLO Nc1nc(N)c(CN2CCn3ccnc3C2)c[nH+]1 ZINC000638013255 351889358 /nfs/dbraw/zinc/88/93/58/351889358.db2.gz PBIKHZNRVBBVMC-UHFFFAOYSA-N 1 2 245.290 -0.486 20 0 BBADLO C[C@H](C(=O)NCC1(C)CC1)N1CC[NH2+]CC1=O ZINC000638013323 351888638 /nfs/dbraw/zinc/88/86/38/351888638.db2.gz AWVMXPQDQDABFZ-SECBINFHSA-N 1 2 239.319 -0.277 20 0 BBADLO C[C@@H](C(=O)NCC1(C)CC1)N1CC[NH2+]CC1=O ZINC000638013324 351888543 /nfs/dbraw/zinc/88/85/43/351888543.db2.gz AWVMXPQDQDABFZ-VIFPVBQESA-N 1 2 239.319 -0.277 20 0 BBADLO C[C@H](C(=O)Nc1ccccn1)N1CC[NH2+]CC1=O ZINC000638046249 351925950 /nfs/dbraw/zinc/92/59/50/351925950.db2.gz CFNVPUDYIXTHAQ-SECBINFHSA-N 1 2 248.286 -0.160 20 0 BBADLO C[C@@H](C(=O)Nc1ccccn1)N1CC[NH2+]CC1=O ZINC000638046250 351925701 /nfs/dbraw/zinc/92/57/01/351925701.db2.gz CFNVPUDYIXTHAQ-VIFPVBQESA-N 1 2 248.286 -0.160 20 0 BBADLO C[C@@H](C(=O)N1CCCCC1)N1CC[NH2+]CC1=O ZINC000638047051 351926391 /nfs/dbraw/zinc/92/63/91/351926391.db2.gz XGCWIPWGKYHLIT-JTQLQIEISA-N 1 2 239.319 -0.181 20 0 BBADLO C[C@H](C(=O)N1CCCCC1)N1CC[NH2+]CC1=O ZINC000638047052 351926516 /nfs/dbraw/zinc/92/65/16/351926516.db2.gz XGCWIPWGKYHLIT-SNVBAGLBSA-N 1 2 239.319 -0.181 20 0 BBADLO C[C@H](C(=O)Nc1cccnc1)N1CC[NH2+]CC1=O ZINC000638047485 351926712 /nfs/dbraw/zinc/92/67/12/351926712.db2.gz JBMKXENMCILFHU-SECBINFHSA-N 1 2 248.286 -0.160 20 0 BBADLO C[C@@H](C(=O)Nc1cccnc1)N1CC[NH2+]CC1=O ZINC000638047486 351926774 /nfs/dbraw/zinc/92/67/74/351926774.db2.gz JBMKXENMCILFHU-VIFPVBQESA-N 1 2 248.286 -0.160 20 0 BBADLO C[C@H](C(=O)Nc1ccncc1)N1CC[NH2+]CC1=O ZINC000638047717 351924718 /nfs/dbraw/zinc/92/47/18/351924718.db2.gz KIADUXIUSWPNGZ-SECBINFHSA-N 1 2 248.286 -0.738 20 0 BBADLO C[C@@H](C(=O)Nc1ccncc1)N1CC[NH2+]CC1=O ZINC000638047718 351924521 /nfs/dbraw/zinc/92/45/21/351924521.db2.gz KIADUXIUSWPNGZ-VIFPVBQESA-N 1 2 248.286 -0.738 20 0 BBADLO O=c1ccc(C[N@H+]2CCO[C@H](CO)C2)c[nH]1 ZINC000638067867 351938037 /nfs/dbraw/zinc/93/80/37/351938037.db2.gz UZFGNUUWLCDBDB-JTQLQIEISA-N 1 2 224.260 -0.020 20 0 BBADLO O=c1ccc(C[N@@H+]2CCO[C@H](CO)C2)c[nH]1 ZINC000638067867 351938034 /nfs/dbraw/zinc/93/80/34/351938034.db2.gz UZFGNUUWLCDBDB-JTQLQIEISA-N 1 2 224.260 -0.020 20 0 BBADLO O=c1ccc(C[N@H+]2CCO[C@@H](CO)C2)c[nH]1 ZINC000638067869 351937946 /nfs/dbraw/zinc/93/79/46/351937946.db2.gz UZFGNUUWLCDBDB-SNVBAGLBSA-N 1 2 224.260 -0.020 20 0 BBADLO O=c1ccc(C[N@@H+]2CCO[C@@H](CO)C2)c[nH]1 ZINC000638067869 351937942 /nfs/dbraw/zinc/93/79/42/351937942.db2.gz UZFGNUUWLCDBDB-SNVBAGLBSA-N 1 2 224.260 -0.020 20 0 BBADLO C[C@H]1OCCN(Cc2c[nH+]c(N)nc2N)[C@@H]1C ZINC000638086173 351963338 /nfs/dbraw/zinc/96/33/38/351963338.db2.gz XLMBEAPLSMSGLC-HTQZYQBOSA-N 1 2 237.307 -0.089 20 0 BBADLO C[C@H]1OCCN(Cc2c[nH+]c(N)nc2N)[C@H]1C ZINC000638086265 351962751 /nfs/dbraw/zinc/96/27/51/351962751.db2.gz XLMBEAPLSMSGLC-JGVFFNPUSA-N 1 2 237.307 -0.089 20 0 BBADLO C[C@@H]1[C@H](C)OCCN1Cc1c[nH+]c(N)nc1N ZINC000638086266 351964189 /nfs/dbraw/zinc/96/41/89/351964189.db2.gz XLMBEAPLSMSGLC-SFYZADRCSA-N 1 2 237.307 -0.089 20 0 BBADLO C[C@@H]1OCCN(Cc2c[nH+]c(N)nc2N)[C@H]1C ZINC000638086267 351963978 /nfs/dbraw/zinc/96/39/78/351963978.db2.gz XLMBEAPLSMSGLC-YUMQZZPRSA-N 1 2 237.307 -0.089 20 0 BBADLO Nc1nc(N)c(CN2C[C@H]3CC[C@@H](C2)O3)c[nH+]1 ZINC000638087524 351966307 /nfs/dbraw/zinc/96/63/07/351966307.db2.gz CJUAJCOMAQRSTG-DTORHVGOSA-N 1 2 235.291 -0.335 20 0 BBADLO COc1ncc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)s1 ZINC000638094821 351974279 /nfs/dbraw/zinc/97/42/79/351974279.db2.gz LPWGUSLJSBYPDL-OCAPTIKFSA-N 1 2 230.289 -0.311 20 0 BBADLO COc1ncc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)s1 ZINC000638094821 351974276 /nfs/dbraw/zinc/97/42/76/351974276.db2.gz LPWGUSLJSBYPDL-OCAPTIKFSA-N 1 2 230.289 -0.311 20 0 BBADLO O[C@@H]1C[N@H+](Cc2ccns2)C[C@@H]1O ZINC000638096160 398076056 /nfs/dbraw/zinc/07/60/56/398076056.db2.gz YGCZUJJRVFVEQU-OCAPTIKFSA-N 1 2 200.263 -0.320 20 0 BBADLO O[C@@H]1C[N@@H+](Cc2ccns2)C[C@@H]1O ZINC000638096160 398076051 /nfs/dbraw/zinc/07/60/51/398076051.db2.gz YGCZUJJRVFVEQU-OCAPTIKFSA-N 1 2 200.263 -0.320 20 0 BBADLO Nc1nc(N)c(CN2CCOC[C@H]2C2CC2)c[nH+]1 ZINC000638117907 351993859 /nfs/dbraw/zinc/99/38/59/351993859.db2.gz UGMUDDKQIFJEQH-JTQLQIEISA-N 1 2 249.318 -0.087 20 0 BBADLO Nc1nc(N)c(CN2CCOC[C@@H]2C2CC2)c[nH+]1 ZINC000638117908 351993996 /nfs/dbraw/zinc/99/39/96/351993996.db2.gz UGMUDDKQIFJEQH-SNVBAGLBSA-N 1 2 249.318 -0.087 20 0 BBADLO CCC[C@@H]1C[NH2+]CCN1C(=O)Cc1ncn[nH]1 ZINC000638158870 352023166 /nfs/dbraw/zinc/02/31/66/352023166.db2.gz MLNZHXXSKXZMPH-SECBINFHSA-N 1 2 237.307 -0.052 20 0 BBADLO CCC[C@H]1C[NH2+]CCN1C(=O)Cc1ncn[nH]1 ZINC000638158871 352022913 /nfs/dbraw/zinc/02/29/13/352022913.db2.gz MLNZHXXSKXZMPH-VIFPVBQESA-N 1 2 237.307 -0.052 20 0 BBADLO C[C@@H]1CN(C(=O)CCc2nn[nH]n2)[C@H](C)C[NH2+]1 ZINC000638160004 352023936 /nfs/dbraw/zinc/02/39/36/352023936.db2.gz UTNAAMSXXJYBNB-HTQZYQBOSA-N 1 2 238.295 -0.659 20 0 BBADLO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CCc1nn[nH]n1 ZINC000638160014 352023776 /nfs/dbraw/zinc/02/37/76/352023776.db2.gz UTNAAMSXXJYBNB-JGVFFNPUSA-N 1 2 238.295 -0.659 20 0 BBADLO C[C@@H]1CN(C(=O)CCc2nn[nH]n2)[C@@H](C)C[NH2+]1 ZINC000638160016 352024089 /nfs/dbraw/zinc/02/40/89/352024089.db2.gz UTNAAMSXXJYBNB-SFYZADRCSA-N 1 2 238.295 -0.659 20 0 BBADLO C[C@H]1CN(C(=O)CCc2nn[nH]n2)[C@@H](C)C[NH2+]1 ZINC000638160017 352024861 /nfs/dbraw/zinc/02/48/61/352024861.db2.gz UTNAAMSXXJYBNB-YUMQZZPRSA-N 1 2 238.295 -0.659 20 0 BBADLO [NH3+]CC(F)(F)CNC(=O)Cc1nnc[nH]1 ZINC000638173612 352036758 /nfs/dbraw/zinc/03/67/58/352036758.db2.gz AXXUOJHBCMHYOP-UHFFFAOYSA-N 1 2 219.195 -0.943 20 0 BBADLO O=C(Cc1ncn[nH]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000638197809 352060428 /nfs/dbraw/zinc/06/04/28/352060428.db2.gz OOOFVFRMCSQSRZ-DTORHVGOSA-N 1 2 235.291 -0.300 20 0 BBADLO C[C@H]1[NH2+]CCN(C(=O)CCc2nn[nH]n2)[C@@H]1C ZINC000638205752 352068143 /nfs/dbraw/zinc/06/81/43/352068143.db2.gz RMOFOAZJAJGRFO-HTQZYQBOSA-N 1 2 238.295 -0.659 20 0 BBADLO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CCc1nn[nH]n1 ZINC000638205754 352068262 /nfs/dbraw/zinc/06/82/62/352068262.db2.gz RMOFOAZJAJGRFO-JGVFFNPUSA-N 1 2 238.295 -0.659 20 0 BBADLO C[C@H]1[NH2+]CCN(C(=O)CCc2nn[nH]n2)[C@H]1C ZINC000638205756 352068076 /nfs/dbraw/zinc/06/80/76/352068076.db2.gz RMOFOAZJAJGRFO-SFYZADRCSA-N 1 2 238.295 -0.659 20 0 BBADLO C[C@@H]1[NH2+]CCN(C(=O)CCc2nn[nH]n2)[C@H]1C ZINC000638205758 352068506 /nfs/dbraw/zinc/06/85/06/352068506.db2.gz RMOFOAZJAJGRFO-YUMQZZPRSA-N 1 2 238.295 -0.659 20 0 BBADLO C[C@]1(F)C[NH2+]CCN(C(=O)Cc2ncn[nH]2)C1 ZINC000638254140 352097051 /nfs/dbraw/zinc/09/70/51/352097051.db2.gz SFZIEQCJVPFNIH-JTQLQIEISA-N 1 2 241.270 -0.493 20 0 BBADLO C[C@@]1(F)C[NH2+]CCN(C(=O)Cc2ncn[nH]2)C1 ZINC000638254141 352096988 /nfs/dbraw/zinc/09/69/88/352096988.db2.gz SFZIEQCJVPFNIH-SNVBAGLBSA-N 1 2 241.270 -0.493 20 0 BBADLO C[C@H](C(=O)N[C@H]1CC12CC2)N1CC[NH2+]CC1=O ZINC000638367441 352178978 /nfs/dbraw/zinc/17/89/78/352178978.db2.gz OSAPMLFHPNWKBU-BDAKNGLRSA-N 1 2 237.303 -0.525 20 0 BBADLO C[C@@H](C(=O)N[C@@H]1CC12CC2)N1CC[NH2+]CC1=O ZINC000638367443 352178586 /nfs/dbraw/zinc/17/85/86/352178586.db2.gz OSAPMLFHPNWKBU-DTWKUNHWSA-N 1 2 237.303 -0.525 20 0 BBADLO C[C@@H](C(=O)N[C@H]1CC12CC2)N1CC[NH2+]CC1=O ZINC000638367445 352178815 /nfs/dbraw/zinc/17/88/15/352178815.db2.gz OSAPMLFHPNWKBU-IUCAKERBSA-N 1 2 237.303 -0.525 20 0 BBADLO C[C@H](C(=O)N[C@@H]1CC12CC2)N1CC[NH2+]CC1=O ZINC000638367446 352178826 /nfs/dbraw/zinc/17/88/26/352178826.db2.gz OSAPMLFHPNWKBU-RKDXNWHRSA-N 1 2 237.303 -0.525 20 0 BBADLO C[C@H](C(=O)NCC(C)(F)F)N1CC[NH2+]CC1=O ZINC000638425489 352233025 /nfs/dbraw/zinc/23/30/25/352233025.db2.gz GVCHSOSELGNKCF-SSDOTTSWSA-N 1 2 249.261 -0.422 20 0 BBADLO C[C@@H](C(=O)NCC(C)(F)F)N1CC[NH2+]CC1=O ZINC000638425495 352232981 /nfs/dbraw/zinc/23/29/81/352232981.db2.gz GVCHSOSELGNKCF-ZETCQYMHSA-N 1 2 249.261 -0.422 20 0 BBADLO C[C@H](C(=O)N1C[C@@H]2C[C@@H]2C1)N1CC[NH2+]CC1=O ZINC000638474243 352283760 /nfs/dbraw/zinc/28/37/60/352283760.db2.gz JLERRDHUOQOHHQ-BBBLOLIVSA-N 1 2 237.303 -0.715 20 0 BBADLO C[C@@H](C(=O)N1C[C@@H]2C[C@@H]2C1)N1CC[NH2+]CC1=O ZINC000638474247 352283435 /nfs/dbraw/zinc/28/34/35/352283435.db2.gz JLERRDHUOQOHHQ-LPEHRKFASA-N 1 2 237.303 -0.715 20 0 BBADLO O=C(CN1CC[NH2+]CC1=O)NCC1CC=CC1 ZINC000638492609 352305428 /nfs/dbraw/zinc/30/54/28/352305428.db2.gz XGGDQQANLKYADJ-UHFFFAOYSA-N 1 2 237.303 -0.499 20 0 BBADLO CC(C)[C@H]1C[NH2+]CCN1C(=O)Cc1ncn[nH]1 ZINC000638492678 352305468 /nfs/dbraw/zinc/30/54/68/352305468.db2.gz XYFSUXOLANFVBY-SECBINFHSA-N 1 2 237.307 -0.196 20 0 BBADLO CC(C)[C@@H]1C[NH2+]CCN1C(=O)Cc1ncn[nH]1 ZINC000638492679 352305248 /nfs/dbraw/zinc/30/52/48/352305248.db2.gz XYFSUXOLANFVBY-VIFPVBQESA-N 1 2 237.307 -0.196 20 0 BBADLO O=C(CN1CC[NH2+]CC1=O)N(C1CC1)C1CC1 ZINC000638573914 352399114 /nfs/dbraw/zinc/39/91/14/352399114.db2.gz MICMPJVFNCTLDS-UHFFFAOYSA-N 1 2 237.303 -0.428 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@]1(N)CC1(F)F ZINC000638612362 352452284 /nfs/dbraw/zinc/45/22/84/352452284.db2.gz VBFNOXSNZJYYKW-APPZFPTMSA-N 1 2 249.261 -0.830 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@]1(N)CC1(F)F ZINC000638612362 352452282 /nfs/dbraw/zinc/45/22/82/352452282.db2.gz VBFNOXSNZJYYKW-APPZFPTMSA-N 1 2 249.261 -0.830 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@]1(N)CC1(F)F ZINC000638612363 352452318 /nfs/dbraw/zinc/45/23/18/352452318.db2.gz VBFNOXSNZJYYKW-CBAPKCEASA-N 1 2 249.261 -0.830 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@]1(N)CC1(F)F ZINC000638612363 352452316 /nfs/dbraw/zinc/45/23/16/352452316.db2.gz VBFNOXSNZJYYKW-CBAPKCEASA-N 1 2 249.261 -0.830 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@]1(N)CC1(F)F ZINC000638612364 352452136 /nfs/dbraw/zinc/45/21/36/352452136.db2.gz VBFNOXSNZJYYKW-IONNQARKSA-N 1 2 249.261 -0.830 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@]1(N)CC1(F)F ZINC000638612364 352452134 /nfs/dbraw/zinc/45/21/34/352452134.db2.gz VBFNOXSNZJYYKW-IONNQARKSA-N 1 2 249.261 -0.830 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@]1(N)CC1(F)F ZINC000638612365 352452272 /nfs/dbraw/zinc/45/22/72/352452272.db2.gz VBFNOXSNZJYYKW-VXNVDRBHSA-N 1 2 249.261 -0.830 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@]1(N)CC1(F)F ZINC000638612365 352452270 /nfs/dbraw/zinc/45/22/70/352452270.db2.gz VBFNOXSNZJYYKW-VXNVDRBHSA-N 1 2 249.261 -0.830 20 0 BBADLO Cc1n[nH]c(C(=O)NC[C@@H]2COCC[NH2+]2)c1C ZINC000638621857 352460344 /nfs/dbraw/zinc/46/03/44/352460344.db2.gz ZJIKQQDMIKKDQQ-SECBINFHSA-N 1 2 238.291 -0.255 20 0 BBADLO Cc1n[nH]c(C(=O)NC[C@H]2COCC[NH2+]2)c1C ZINC000638621858 352460291 /nfs/dbraw/zinc/46/02/91/352460291.db2.gz ZJIKQQDMIKKDQQ-VIFPVBQESA-N 1 2 238.291 -0.255 20 0 BBADLO CC(C)N1C[C@H]([NH2+]Cc2ncnn2C)CC1=O ZINC000638646400 352489181 /nfs/dbraw/zinc/48/91/81/352489181.db2.gz CONLEFYFKIKYFU-SECBINFHSA-N 1 2 237.307 -0.086 20 0 BBADLO CC(C)N1C[C@@H]([NH2+]Cc2ncnn2C)CC1=O ZINC000638646405 352489044 /nfs/dbraw/zinc/48/90/44/352489044.db2.gz CONLEFYFKIKYFU-VIFPVBQESA-N 1 2 237.307 -0.086 20 0 BBADLO C/C=C/CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638688640 352527476 /nfs/dbraw/zinc/52/74/76/352527476.db2.gz WWIFQMXNQGFXSM-CDAZIORVSA-N 1 2 225.292 -0.501 20 0 BBADLO C/C=C/CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638688641 352527437 /nfs/dbraw/zinc/52/74/37/352527437.db2.gz WWIFQMXNQGFXSM-NWALNABHSA-N 1 2 225.292 -0.501 20 0 BBADLO C/C=C\CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638688642 352527367 /nfs/dbraw/zinc/52/73/67/352527367.db2.gz WWIFQMXNQGFXSM-TYRPZCRBSA-N 1 2 225.292 -0.501 20 0 BBADLO C/C=C\CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638688643 352527697 /nfs/dbraw/zinc/52/76/97/352527697.db2.gz WWIFQMXNQGFXSM-ZBJFTSOASA-N 1 2 225.292 -0.501 20 0 BBADLO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2ncnn2C)CC1=O ZINC000638688920 352524404 /nfs/dbraw/zinc/52/44/04/352524404.db2.gz ITDDBMBBGPZMLG-BBBLOLIVSA-N 1 2 249.318 -0.086 20 0 BBADLO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2ncnn2C)CC1=O ZINC000638688921 352524476 /nfs/dbraw/zinc/52/44/76/352524476.db2.gz ITDDBMBBGPZMLG-KXUCPTDWSA-N 1 2 249.318 -0.086 20 0 BBADLO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2ncnn2C)CC1=O ZINC000638688926 352524651 /nfs/dbraw/zinc/52/46/51/352524651.db2.gz ITDDBMBBGPZMLG-OPRDCNLKSA-N 1 2 249.318 -0.086 20 0 BBADLO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2ncnn2C)CC1=O ZINC000638688927 352524303 /nfs/dbraw/zinc/52/43/03/352524303.db2.gz ITDDBMBBGPZMLG-UTLUCORTSA-N 1 2 249.318 -0.086 20 0 BBADLO C/C=C\CNC(=O)CN1CC[NH2+]CC1=O ZINC000638690083 352525913 /nfs/dbraw/zinc/52/59/13/352525913.db2.gz PAGFZNPSXBENLD-IHWYPQMZSA-N 1 2 211.265 -0.890 20 0 BBADLO C/C=C/CNC(=O)CN1CC[NH2+]CC1=O ZINC000638690084 352525875 /nfs/dbraw/zinc/52/58/75/352525875.db2.gz PAGFZNPSXBENLD-NSCUHMNNSA-N 1 2 211.265 -0.890 20 0 BBADLO CC[C@@H]1C[C@H]1NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638723800 352575406 /nfs/dbraw/zinc/57/54/06/352575406.db2.gz ZMUILVGBAPFOJG-IVZWLZJFSA-N 1 2 239.319 -0.279 20 0 BBADLO CC[C@@H]1C[C@H]1NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638723801 352575175 /nfs/dbraw/zinc/57/51/75/352575175.db2.gz ZMUILVGBAPFOJG-OPRDCNLKSA-N 1 2 239.319 -0.279 20 0 BBADLO CC[C@@H]1C[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000638724220 398163314 /nfs/dbraw/zinc/16/33/14/398163314.db2.gz AMIBARKLRYRDGG-RKDXNWHRSA-N 1 2 225.292 -0.667 20 0 BBADLO O=C(CN1CC[NH2+]CC1=O)NC1(C(F)F)CC1 ZINC000638726408 352584710 /nfs/dbraw/zinc/58/47/10/352584710.db2.gz QKKJXEITUCBDIK-UHFFFAOYSA-N 1 2 247.245 -0.668 20 0 BBADLO C[C@H](C(=O)NCC(C)(C)F)N1CC[NH2+]CC1=O ZINC000638812567 352991486 /nfs/dbraw/zinc/99/14/86/352991486.db2.gz GLBMHLQNRRCBOS-MRVPVSSYSA-N 1 2 245.298 -0.329 20 0 BBADLO C[C@@H](C(=O)NCC(C)(C)F)N1CC[NH2+]CC1=O ZINC000638812568 352991706 /nfs/dbraw/zinc/99/17/06/352991706.db2.gz GLBMHLQNRRCBOS-QMMMGPOBSA-N 1 2 245.298 -0.329 20 0 BBADLO CC(C)(F)CNC(=O)CN1CC[NH2+]CC1=O ZINC000638812572 352991516 /nfs/dbraw/zinc/99/15/16/352991516.db2.gz GOXPKIAZBJEGPY-UHFFFAOYSA-N 1 2 231.271 -0.718 20 0 BBADLO Cn1ncnc1C[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000638908357 353069580 /nfs/dbraw/zinc/06/95/80/353069580.db2.gz ZIGHEOREFXTYBC-MRVPVSSYSA-N 1 2 235.291 -0.332 20 0 BBADLO Cn1ncnc1C[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000638908358 353069425 /nfs/dbraw/zinc/06/94/25/353069425.db2.gz ZIGHEOREFXTYBC-QMMMGPOBSA-N 1 2 235.291 -0.332 20 0 BBADLO CN(Cc1nccn1C)Cc1c[nH+]c(N)nc1N ZINC000638918903 353083696 /nfs/dbraw/zinc/08/36/96/353083696.db2.gz HCLZVPJGDWZNMX-UHFFFAOYSA-N 1 2 247.306 -0.333 20 0 BBADLO NC(=O)C1([NH2+]Cc2cc3c(cn2)OCCO3)CC1 ZINC000639043305 353326843 /nfs/dbraw/zinc/32/68/43/353326843.db2.gz RPQVLQMAVKMJTG-UHFFFAOYSA-N 1 2 249.270 -0.040 20 0 BBADLO Nc1nc(N)c(CN2CCO[C@H](C3CC3)C2)c[nH+]1 ZINC000639061117 353368334 /nfs/dbraw/zinc/36/83/34/353368334.db2.gz NAWZRPPVJCDPBS-JTQLQIEISA-N 1 2 249.318 -0.087 20 0 BBADLO Nc1nc(N)c(CN2CCO[C@@H](C3CC3)C2)c[nH+]1 ZINC000639061122 353368016 /nfs/dbraw/zinc/36/80/16/353368016.db2.gz NAWZRPPVJCDPBS-SNVBAGLBSA-N 1 2 249.318 -0.087 20 0 BBADLO CC[C@@H](NC(=O)CN1CC[NH2+]CC1=O)C(F)F ZINC000639079832 353412459 /nfs/dbraw/zinc/41/24/59/353412459.db2.gz NJJWEBWUQMPWOX-SSDOTTSWSA-N 1 2 249.261 -0.422 20 0 BBADLO CC[C@H](NC(=O)CN1CC[NH2+]CC1=O)C(F)F ZINC000639079833 353412579 /nfs/dbraw/zinc/41/25/79/353412579.db2.gz NJJWEBWUQMPWOX-ZETCQYMHSA-N 1 2 249.261 -0.422 20 0 BBADLO C[C@@H]1COCCN1Cc1c[nH+]c(N)nc1N ZINC000639121771 353772391 /nfs/dbraw/zinc/77/23/91/353772391.db2.gz AHELOQLKBCSZRP-SSDOTTSWSA-N 1 2 223.280 -0.478 20 0 BBADLO Nc1nc(N)c(CN2CCOCC23CC3)c[nH+]1 ZINC000639143616 353850380 /nfs/dbraw/zinc/85/03/80/353850380.db2.gz LUYHQURQFGDFDH-UHFFFAOYSA-N 1 2 235.291 -0.333 20 0 BBADLO Nc1nc(N)c(CNCC(F)F)c[nH+]1 ZINC000639161394 353931725 /nfs/dbraw/zinc/93/17/25/353931725.db2.gz DDQCXCMTXWVUAE-UHFFFAOYSA-N 1 2 203.196 -0.344 20 0 BBADLO CN(C)S(=O)(=O)NCC[NH2+]Cc1ccon1 ZINC000639163899 353960175 /nfs/dbraw/zinc/96/01/75/353960175.db2.gz YGLKMQTWRPJRFR-UHFFFAOYSA-N 1 2 248.308 -0.840 20 0 BBADLO COC1(C)CN(Cc2c[nH+]c(N)nc2N)C1 ZINC000639181620 354302434 /nfs/dbraw/zinc/30/24/34/354302434.db2.gz YYCVBAVRHVKYSZ-UHFFFAOYSA-N 1 2 223.280 -0.478 20 0 BBADLO Nc1nc(N)c(CN2CCO[C@@H]3C[C@@H]32)c[nH+]1 ZINC000639202002 354606793 /nfs/dbraw/zinc/60/67/93/354606793.db2.gz QFKDLCJEGVGCOX-JGVFFNPUSA-N 1 2 221.264 -0.725 20 0 BBADLO Nc1nc(N)c(CN2CCO[C@H]3C[C@H]32)c[nH+]1 ZINC000639202003 354606798 /nfs/dbraw/zinc/60/67/98/354606798.db2.gz QFKDLCJEGVGCOX-SFYZADRCSA-N 1 2 221.264 -0.725 20 0 BBADLO COC[C@H]1CC[N@H+]1Cc1cnc(N)nc1N ZINC000639207867 398278039 /nfs/dbraw/zinc/27/80/39/398278039.db2.gz UQQBQJYVODPYON-MRVPVSSYSA-N 1 2 223.280 -0.478 20 0 BBADLO COC[C@H]1CC[N@@H+]1Cc1cnc(N)nc1N ZINC000639207867 398278036 /nfs/dbraw/zinc/27/80/36/398278036.db2.gz UQQBQJYVODPYON-MRVPVSSYSA-N 1 2 223.280 -0.478 20 0 BBADLO COC[C@@H]1CC[N@H+]1Cc1cnc(N)nc1N ZINC000639207868 398278123 /nfs/dbraw/zinc/27/81/23/398278123.db2.gz UQQBQJYVODPYON-QMMMGPOBSA-N 1 2 223.280 -0.478 20 0 BBADLO COC[C@@H]1CC[N@@H+]1Cc1cnc(N)nc1N ZINC000639207868 398278120 /nfs/dbraw/zinc/27/81/20/398278120.db2.gz UQQBQJYVODPYON-QMMMGPOBSA-N 1 2 223.280 -0.478 20 0 BBADLO Nc1nc(N)c(CN(C2CC2)C2COC2)c[nH+]1 ZINC000639216191 354829273 /nfs/dbraw/zinc/82/92/73/354829273.db2.gz RLJKCFIHCJDIHO-UHFFFAOYSA-N 1 2 235.291 -0.335 20 0 BBADLO CC(C)[N@@H+](Cc1cnc(N)nc1N)C1COC1 ZINC000639216376 354845357 /nfs/dbraw/zinc/84/53/57/354845357.db2.gz VMCKMAOPFCHJPR-UHFFFAOYSA-N 1 2 237.307 -0.089 20 0 BBADLO CC(C)[N@H+](Cc1cnc(N)nc1N)C1COC1 ZINC000639216376 354845354 /nfs/dbraw/zinc/84/53/54/354845354.db2.gz VMCKMAOPFCHJPR-UHFFFAOYSA-N 1 2 237.307 -0.089 20 0 BBADLO CC(C)N(Cc1c[nH+]c(N)nc1N)C1COC1 ZINC000639216376 354845351 /nfs/dbraw/zinc/84/53/51/354845351.db2.gz VMCKMAOPFCHJPR-UHFFFAOYSA-N 1 2 237.307 -0.089 20 0 BBADLO C[C@H]1COCCN1Cc1c[nH+]c(N)nc1N ZINC000639216724 354855524 /nfs/dbraw/zinc/85/55/24/354855524.db2.gz AHELOQLKBCSZRP-ZETCQYMHSA-N 1 2 223.280 -0.478 20 0 BBADLO Nc1nc(N)c(CN2CC[C@@H](F)C2)c[nH+]1 ZINC000639229764 355157504 /nfs/dbraw/zinc/15/75/04/355157504.db2.gz YFLWLAMTDBUWMZ-SSDOTTSWSA-N 1 2 211.244 -0.154 20 0 BBADLO Nc1nc(N)c(CN2CC[C@H](F)C2)c[nH+]1 ZINC000639229765 355156850 /nfs/dbraw/zinc/15/68/50/355156850.db2.gz YFLWLAMTDBUWMZ-ZETCQYMHSA-N 1 2 211.244 -0.154 20 0 BBADLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ncnn1C ZINC000639239784 355223521 /nfs/dbraw/zinc/22/35/21/355223521.db2.gz LTAYCRKUPCJDJA-RKDXNWHRSA-N 1 2 226.280 -0.291 20 0 BBADLO CC[C@@H]([NH2+]Cc1ncnn1CC)C(=O)NC ZINC000639240976 355226543 /nfs/dbraw/zinc/22/65/43/355226543.db2.gz FXSPUPWEBCJUET-MRVPVSSYSA-N 1 2 225.296 -0.088 20 0 BBADLO CC[C@H]([NH2+]Cc1ncnn1CC)C(=O)NC ZINC000639240977 355226056 /nfs/dbraw/zinc/22/60/56/355226056.db2.gz FXSPUPWEBCJUET-QMMMGPOBSA-N 1 2 225.296 -0.088 20 0 BBADLO CO[C@]1(C[NH+]2CC(S(C)(=O)=O)C2)CCOC1 ZINC000639242950 355229885 /nfs/dbraw/zinc/22/98/85/355229885.db2.gz BZODKGZNMQUNCT-JTQLQIEISA-N 1 2 249.332 -0.479 20 0 BBADLO CO[C@@]1(C[NH+]2CC(S(C)(=O)=O)C2)CCOC1 ZINC000639242951 355230052 /nfs/dbraw/zinc/23/00/52/355230052.db2.gz BZODKGZNMQUNCT-SNVBAGLBSA-N 1 2 249.332 -0.479 20 0 BBADLO O=C1CO[C@@H]2CC[N@@H+](Cc3ccon3)C[C@H]2N1 ZINC000639245211 355255241 /nfs/dbraw/zinc/25/52/41/355255241.db2.gz WCRAUXPQUNSTGW-NXEZZACHSA-N 1 2 237.259 -0.236 20 0 BBADLO O=C1CO[C@@H]2CC[N@H+](Cc3ccon3)C[C@H]2N1 ZINC000639245211 355255239 /nfs/dbraw/zinc/25/52/39/355255239.db2.gz WCRAUXPQUNSTGW-NXEZZACHSA-N 1 2 237.259 -0.236 20 0 BBADLO CCOC1CN(Cc2c[nH+]c(N)nc2N)C1 ZINC000639249428 355278530 /nfs/dbraw/zinc/27/85/30/355278530.db2.gz BPPNWPXURMLNLU-UHFFFAOYSA-N 1 2 223.280 -0.478 20 0 BBADLO Nc1ncc(C[NH+]2CC3(C2)CCCOC3)c(N)n1 ZINC000639251655 355285001 /nfs/dbraw/zinc/28/50/01/355285001.db2.gz SAIOYWUULLZPDG-UHFFFAOYSA-N 1 2 249.318 -0.086 20 0 BBADLO Nc1nc(N)c(CN2CC(C(F)F)C2)c[nH+]1 ZINC000639252273 355286601 /nfs/dbraw/zinc/28/66/01/355286601.db2.gz CNQBMBMLIIRWCZ-UHFFFAOYSA-N 1 2 229.234 -0.001 20 0 BBADLO CCOC1(C)CN(Cc2c[nH+]c(N)nc2N)C1 ZINC000639254406 386470007 /nfs/dbraw/zinc/47/00/07/386470007.db2.gz SADXGNNLDVMUIE-UHFFFAOYSA-N 1 2 237.307 -0.087 20 0 BBADLO COCC1(O)C[NH+](Cc2ccc(=O)[nH]c2)C1 ZINC000639255173 355297873 /nfs/dbraw/zinc/29/78/73/355297873.db2.gz NXTCDFXVTMLNOW-UHFFFAOYSA-N 1 2 224.260 -0.020 20 0 BBADLO COCC1(C)C[NH+](Cc2cnc(N)nc2N)C1 ZINC000639255719 355296555 /nfs/dbraw/zinc/29/65/55/355296555.db2.gz XJZICUWSJRUTIG-UHFFFAOYSA-N 1 2 237.307 -0.230 20 0 BBADLO OC[C@]1(O)CCC[N@@H+](Cc2ccon2)C1 ZINC000639256407 355301177 /nfs/dbraw/zinc/30/11/77/355301177.db2.gz HVZHWJVPFIGKJF-JTQLQIEISA-N 1 2 212.249 -0.006 20 0 BBADLO OC[C@]1(O)CCC[N@H+](Cc2ccon2)C1 ZINC000639256407 355301175 /nfs/dbraw/zinc/30/11/75/355301175.db2.gz HVZHWJVPFIGKJF-JTQLQIEISA-N 1 2 212.249 -0.006 20 0 BBADLO OC[C@@]1(O)CCC[N@@H+](Cc2ccon2)C1 ZINC000639256408 355301132 /nfs/dbraw/zinc/30/11/32/355301132.db2.gz HVZHWJVPFIGKJF-SNVBAGLBSA-N 1 2 212.249 -0.006 20 0 BBADLO OC[C@@]1(O)CCC[N@H+](Cc2ccon2)C1 ZINC000639256408 355301129 /nfs/dbraw/zinc/30/11/29/355301129.db2.gz HVZHWJVPFIGKJF-SNVBAGLBSA-N 1 2 212.249 -0.006 20 0 BBADLO CCn1ncnc1C[NH2+][C@@H]1COC[C@@H]1OC ZINC000639258353 355305840 /nfs/dbraw/zinc/30/58/40/355305840.db2.gz GZJLUKAVRFTMFZ-BDAKNGLRSA-N 1 2 226.280 -0.199 20 0 BBADLO Nc1nc(N)c(CN2CCO[C@H](CF)C2)c[nH+]1 ZINC000639262477 355316781 /nfs/dbraw/zinc/31/67/81/355316781.db2.gz YCYLVFHTVMSTGQ-MRVPVSSYSA-N 1 2 241.270 -0.528 20 0 BBADLO Nc1nc(N)c(CN2CCO[C@@H](CF)C2)c[nH+]1 ZINC000639262481 355316786 /nfs/dbraw/zinc/31/67/86/355316786.db2.gz YCYLVFHTVMSTGQ-QMMMGPOBSA-N 1 2 241.270 -0.528 20 0 BBADLO Nc1nc(N)c(CN2CC(OC(F)F)C2)c[nH+]1 ZINC000639265765 355325942 /nfs/dbraw/zinc/32/59/42/355325942.db2.gz KTSKBVKRVTUUPB-UHFFFAOYSA-N 1 2 245.233 -0.275 20 0 BBADLO CCn1ncnc1C[N@@H+](C[C@H](O)CO)C(C)C ZINC000639292341 355495095 /nfs/dbraw/zinc/49/50/95/355495095.db2.gz NKTIBAVASMAOPP-JTQLQIEISA-N 1 2 242.323 -0.138 20 0 BBADLO CCn1ncnc1C[N@H+](C[C@H](O)CO)C(C)C ZINC000639292341 355495094 /nfs/dbraw/zinc/49/50/94/355495094.db2.gz NKTIBAVASMAOPP-JTQLQIEISA-N 1 2 242.323 -0.138 20 0 BBADLO CCn1ncnc1C[N@@H+](C[C@@H](O)CO)C(C)C ZINC000639292342 355495232 /nfs/dbraw/zinc/49/52/32/355495232.db2.gz NKTIBAVASMAOPP-SNVBAGLBSA-N 1 2 242.323 -0.138 20 0 BBADLO CCn1ncnc1C[N@H+](C[C@@H](O)CO)C(C)C ZINC000639292342 355495228 /nfs/dbraw/zinc/49/52/28/355495228.db2.gz NKTIBAVASMAOPP-SNVBAGLBSA-N 1 2 242.323 -0.138 20 0 BBADLO CC(C)[N@H+](Cc1ncnn1C)C[C@@H](O)CO ZINC000639292753 355525723 /nfs/dbraw/zinc/52/57/23/355525723.db2.gz OROXVGXCHQDGHM-SECBINFHSA-N 1 2 228.296 -0.621 20 0 BBADLO CC(C)[N@@H+](Cc1ncnn1C)C[C@@H](O)CO ZINC000639292753 355525721 /nfs/dbraw/zinc/52/57/21/355525721.db2.gz OROXVGXCHQDGHM-SECBINFHSA-N 1 2 228.296 -0.621 20 0 BBADLO CC(C)[N@H+](Cc1ncnn1C)C[C@H](O)CO ZINC000639292757 355525490 /nfs/dbraw/zinc/52/54/90/355525490.db2.gz OROXVGXCHQDGHM-VIFPVBQESA-N 1 2 228.296 -0.621 20 0 BBADLO CC(C)[N@@H+](Cc1ncnn1C)C[C@H](O)CO ZINC000639292757 355525486 /nfs/dbraw/zinc/52/54/86/355525486.db2.gz OROXVGXCHQDGHM-VIFPVBQESA-N 1 2 228.296 -0.621 20 0 BBADLO CO[C@@]1(C[N@H+]2CCn3nncc3C2)CCOC1 ZINC000639295587 355582852 /nfs/dbraw/zinc/58/28/52/355582852.db2.gz LBASBHMXGKETMR-LLVKDONJSA-N 1 2 238.291 -0.101 20 0 BBADLO CO[C@@]1(C[N@@H+]2CCn3nncc3C2)CCOC1 ZINC000639295587 355582850 /nfs/dbraw/zinc/58/28/50/355582850.db2.gz LBASBHMXGKETMR-LLVKDONJSA-N 1 2 238.291 -0.101 20 0 BBADLO CO[C@]1(C[N@H+]2CCn3nncc3C2)CCOC1 ZINC000639295588 355583284 /nfs/dbraw/zinc/58/32/84/355583284.db2.gz LBASBHMXGKETMR-NSHDSACASA-N 1 2 238.291 -0.101 20 0 BBADLO CO[C@]1(C[N@@H+]2CCn3nncc3C2)CCOC1 ZINC000639295588 355583280 /nfs/dbraw/zinc/58/32/80/355583280.db2.gz LBASBHMXGKETMR-NSHDSACASA-N 1 2 238.291 -0.101 20 0 BBADLO Cn1ncc2c1CN(Cc1c[nH+]c(N)nc1N)C2 ZINC000639320055 355720405 /nfs/dbraw/zinc/72/04/05/355720405.db2.gz CGBWADNEOJKCTE-UHFFFAOYSA-N 1 2 245.290 -0.449 20 0 BBADLO Cc1nnsc1CN1CC[N@H+](C)C[C@@H]1CO ZINC000639332621 355760393 /nfs/dbraw/zinc/76/03/93/355760393.db2.gz AFDGZLBVQNQXQT-SECBINFHSA-N 1 2 242.348 -0.045 20 0 BBADLO Cc1nnsc1CN1CC[N@@H+](C)C[C@@H]1CO ZINC000639332621 355760392 /nfs/dbraw/zinc/76/03/92/355760392.db2.gz AFDGZLBVQNQXQT-SECBINFHSA-N 1 2 242.348 -0.045 20 0 BBADLO Cc1nnsc1CN1CC[N@H+](C)C[C@H]1CO ZINC000639332623 355760436 /nfs/dbraw/zinc/76/04/36/355760436.db2.gz AFDGZLBVQNQXQT-VIFPVBQESA-N 1 2 242.348 -0.045 20 0 BBADLO Cc1nnsc1CN1CC[N@@H+](C)C[C@H]1CO ZINC000639332623 355760435 /nfs/dbraw/zinc/76/04/35/355760435.db2.gz AFDGZLBVQNQXQT-VIFPVBQESA-N 1 2 242.348 -0.045 20 0 BBADLO Cc1cn[nH]c1CN1CC[N@H+](C)C[C@H]1CO ZINC000639333399 355762136 /nfs/dbraw/zinc/76/21/36/355762136.db2.gz IKLRVHPAYAZKTQ-JTQLQIEISA-N 1 2 224.308 -0.174 20 0 BBADLO Cc1cn[nH]c1CN1CC[N@@H+](C)C[C@H]1CO ZINC000639333399 355762135 /nfs/dbraw/zinc/76/21/35/355762135.db2.gz IKLRVHPAYAZKTQ-JTQLQIEISA-N 1 2 224.308 -0.174 20 0 BBADLO Cc1cn[nH]c1CN1CC[N@H+](C)C[C@@H]1CO ZINC000639333415 355762785 /nfs/dbraw/zinc/76/27/85/355762785.db2.gz IKLRVHPAYAZKTQ-SNVBAGLBSA-N 1 2 224.308 -0.174 20 0 BBADLO Cc1cn[nH]c1CN1CC[N@@H+](C)C[C@@H]1CO ZINC000639333415 355762781 /nfs/dbraw/zinc/76/27/81/355762781.db2.gz IKLRVHPAYAZKTQ-SNVBAGLBSA-N 1 2 224.308 -0.174 20 0 BBADLO CO[C@@]1(C[NH2+]Cc2cn[nH]n2)CCOC1 ZINC000639342492 355785013 /nfs/dbraw/zinc/78/50/13/355785013.db2.gz VXTDMRYKJBIQFF-SECBINFHSA-N 1 2 212.253 -0.300 20 0 BBADLO CO[C@@]1(C[NH2+]Cc2c[nH]nn2)CCOC1 ZINC000639342492 355785011 /nfs/dbraw/zinc/78/50/11/355785011.db2.gz VXTDMRYKJBIQFF-SECBINFHSA-N 1 2 212.253 -0.300 20 0 BBADLO CO[C@]1(C[NH2+]Cc2cn[nH]n2)CCOC1 ZINC000639342493 355785078 /nfs/dbraw/zinc/78/50/78/355785078.db2.gz VXTDMRYKJBIQFF-VIFPVBQESA-N 1 2 212.253 -0.300 20 0 BBADLO CO[C@]1(C[NH2+]Cc2c[nH]nn2)CCOC1 ZINC000639342493 355785076 /nfs/dbraw/zinc/78/50/76/355785076.db2.gz VXTDMRYKJBIQFF-VIFPVBQESA-N 1 2 212.253 -0.300 20 0 BBADLO COc1ncc(C[NH+](CCO)CCO)s1 ZINC000639344519 355780799 /nfs/dbraw/zinc/78/07/99/355780799.db2.gz WFFLOYFMGVNGPH-UHFFFAOYSA-N 1 2 232.305 -0.062 20 0 BBADLO Nc1nc(N)c(CN2CC3(C2)CCCO3)c[nH+]1 ZINC000639347045 355793921 /nfs/dbraw/zinc/79/39/21/355793921.db2.gz LMXTYOSALDHWQK-UHFFFAOYSA-N 1 2 235.291 -0.333 20 0 BBADLO O[C@H]1C[NH+](Cc2ccns2)C[C@@H]1O ZINC000639347144 355794072 /nfs/dbraw/zinc/79/40/72/355794072.db2.gz YGCZUJJRVFVEQU-YUMQZZPRSA-N 1 2 200.263 -0.320 20 0 BBADLO COc1ncc(C[NH+]2C[C@H](O)[C@@H](O)C2)s1 ZINC000639347855 355788209 /nfs/dbraw/zinc/78/82/09/355788209.db2.gz LPWGUSLJSBYPDL-YUMQZZPRSA-N 1 2 230.289 -0.311 20 0 BBADLO CS(=O)(=O)NC1C[NH+](CCC[C@H]2CCO2)C1 ZINC000639348275 355789017 /nfs/dbraw/zinc/78/90/17/355789017.db2.gz VMVCHWOMSZPXHM-JTQLQIEISA-N 1 2 248.348 -0.211 20 0 BBADLO CS(=O)(=O)NC1C[NH+](CCC[C@@H]2CCO2)C1 ZINC000639348276 355789183 /nfs/dbraw/zinc/78/91/83/355789183.db2.gz VMVCHWOMSZPXHM-SNVBAGLBSA-N 1 2 248.348 -0.211 20 0 BBADLO CO[C@@H](C[NH+]1CC(NS(C)(=O)=O)C1)C1CC1 ZINC000639348608 355789977 /nfs/dbraw/zinc/78/99/77/355789977.db2.gz CQUXAELNCSSEDO-JTQLQIEISA-N 1 2 248.348 -0.355 20 0 BBADLO CO[C@H](C[NH+]1CC(NS(C)(=O)=O)C1)C1CC1 ZINC000639348609 355789912 /nfs/dbraw/zinc/78/99/12/355789912.db2.gz CQUXAELNCSSEDO-SNVBAGLBSA-N 1 2 248.348 -0.355 20 0 BBADLO CC1([NH2+]Cc2ccc(S(N)(=O)=O)o2)COC1 ZINC000639381073 355918252 /nfs/dbraw/zinc/91/82/52/355918252.db2.gz ORQGSTXWRDARIH-UHFFFAOYSA-N 1 2 246.288 -0.195 20 0 BBADLO CC1([NH2+]Cc2cnc(N)nc2N)COC1 ZINC000639381605 355920858 /nfs/dbraw/zinc/92/08/58/355920858.db2.gz YVRVXRPLLQVSGR-UHFFFAOYSA-N 1 2 209.253 -0.820 20 0 BBADLO CC[C@]1(O)CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000639385983 355983350 /nfs/dbraw/zinc/98/33/50/355983350.db2.gz WVHBYPQPPVIUKG-JTQLQIEISA-N 1 2 225.296 -0.053 20 0 BBADLO CC[C@]1(O)CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000639385983 355983347 /nfs/dbraw/zinc/98/33/47/355983347.db2.gz WVHBYPQPPVIUKG-JTQLQIEISA-N 1 2 225.296 -0.053 20 0 BBADLO CC[C@@]1(O)CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000639385995 355983622 /nfs/dbraw/zinc/98/36/22/355983622.db2.gz WVHBYPQPPVIUKG-SNVBAGLBSA-N 1 2 225.296 -0.053 20 0 BBADLO CC[C@@]1(O)CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000639385995 355983618 /nfs/dbraw/zinc/98/36/18/355983618.db2.gz WVHBYPQPPVIUKG-SNVBAGLBSA-N 1 2 225.296 -0.053 20 0 BBADLO CC1(C)C[NH+](Cc2cn(CC(N)=O)nn2)C1 ZINC000639393812 356073890 /nfs/dbraw/zinc/07/38/90/356073890.db2.gz SXXGYWZATCNSKC-UHFFFAOYSA-N 1 2 223.280 -0.395 20 0 BBADLO COCCN1C(=O)C2(CC2)[NH2+][C@H]1[C@@H]1CCOC1 ZINC000639426030 356206932 /nfs/dbraw/zinc/20/69/32/356206932.db2.gz DEEFEBZKEHFTCL-NXEZZACHSA-N 1 2 240.303 -0.040 20 0 BBADLO COCCN1C(=O)C2(CC2)[NH2+][C@@H]1[C@H]1CCOC1 ZINC000639426031 356206499 /nfs/dbraw/zinc/20/64/99/356206499.db2.gz DEEFEBZKEHFTCL-UWVGGRQHSA-N 1 2 240.303 -0.040 20 0 BBADLO COCCN1C(=O)C2(CC2)[NH2+][C@H]1[C@H]1CCOC1 ZINC000639426032 356206894 /nfs/dbraw/zinc/20/68/94/356206894.db2.gz DEEFEBZKEHFTCL-VHSXEESVSA-N 1 2 240.303 -0.040 20 0 BBADLO COCCN1C(=O)C2(CC2)[NH2+][C@@H]1[C@@H]1CCOC1 ZINC000639426033 356206968 /nfs/dbraw/zinc/20/69/68/356206968.db2.gz DEEFEBZKEHFTCL-ZJUUUORDSA-N 1 2 240.303 -0.040 20 0 BBADLO CCn1c[nH+]cc1[C@H]1NC(=O)[C@H](COC)N1C ZINC000639428228 356209553 /nfs/dbraw/zinc/20/95/53/356209553.db2.gz UBQQUSYRJPQRPC-UWVGGRQHSA-N 1 2 238.291 -0.022 20 0 BBADLO CCn1c[nH+]cc1[C@@H]1NC(=O)[C@H](COC)N1C ZINC000639428229 356209427 /nfs/dbraw/zinc/20/94/27/356209427.db2.gz UBQQUSYRJPQRPC-VHSXEESVSA-N 1 2 238.291 -0.022 20 0 BBADLO COC[C@H]1C(=O)N[C@@H](c2c[nH+]cn2C)N1C ZINC000639428468 356209683 /nfs/dbraw/zinc/20/96/83/356209683.db2.gz VPMWSVFTKSRFCH-DTWKUNHWSA-N 1 2 224.264 -0.505 20 0 BBADLO COC[C@H]1C(=O)N[C@H](c2c[nH+]cn2C)N1C ZINC000639428469 356209645 /nfs/dbraw/zinc/20/96/45/356209645.db2.gz VPMWSVFTKSRFCH-IUCAKERBSA-N 1 2 224.264 -0.505 20 0 BBADLO COC[C@H]1C(=O)N[C@@H](c2c[nH]c[nH+]2)N1C ZINC000639428507 356209726 /nfs/dbraw/zinc/20/97/26/356209726.db2.gz WFACVWVIHQPMMK-JGVFFNPUSA-N 1 2 210.237 -0.515 20 0 BBADLO COC[C@H]1C(=O)N[C@H](c2c[nH]c[nH+]2)N1C ZINC000639428508 356209762 /nfs/dbraw/zinc/20/97/62/356209762.db2.gz WFACVWVIHQPMMK-YUMQZZPRSA-N 1 2 210.237 -0.515 20 0 BBADLO O=C1C[N@@H+](C[C@H]2CCc3ncnn32)CCN1 ZINC000639435549 356214792 /nfs/dbraw/zinc/21/47/92/356214792.db2.gz QHYSSAKYJQYDAH-MRVPVSSYSA-N 1 2 221.264 -0.803 20 0 BBADLO O=C1C[N@H+](C[C@H]2CCc3ncnn32)CCN1 ZINC000639435549 356214789 /nfs/dbraw/zinc/21/47/89/356214789.db2.gz QHYSSAKYJQYDAH-MRVPVSSYSA-N 1 2 221.264 -0.803 20 0 BBADLO O=C1C[N@@H+](C[C@@H]2CCc3ncnn32)CCN1 ZINC000639435550 356214768 /nfs/dbraw/zinc/21/47/68/356214768.db2.gz QHYSSAKYJQYDAH-QMMMGPOBSA-N 1 2 221.264 -0.803 20 0 BBADLO O=C1C[N@H+](C[C@@H]2CCc3ncnn32)CCN1 ZINC000639435550 356214765 /nfs/dbraw/zinc/21/47/65/356214765.db2.gz QHYSSAKYJQYDAH-QMMMGPOBSA-N 1 2 221.264 -0.803 20 0 BBADLO CC(=O)C[N@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000639449574 356230311 /nfs/dbraw/zinc/23/03/11/356230311.db2.gz LJFFQFADUXYLAV-JTQLQIEISA-N 1 2 248.348 -0.021 20 0 BBADLO CC(=O)C[N@@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000639449574 356230309 /nfs/dbraw/zinc/23/03/09/356230309.db2.gz LJFFQFADUXYLAV-JTQLQIEISA-N 1 2 248.348 -0.021 20 0 BBADLO CC(=O)C[N@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000639449575 356230192 /nfs/dbraw/zinc/23/01/92/356230192.db2.gz LJFFQFADUXYLAV-SNVBAGLBSA-N 1 2 248.348 -0.021 20 0 BBADLO CC(=O)C[N@@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000639449575 356230188 /nfs/dbraw/zinc/23/01/88/356230188.db2.gz LJFFQFADUXYLAV-SNVBAGLBSA-N 1 2 248.348 -0.021 20 0 BBADLO CC(=O)CN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000639450448 356234335 /nfs/dbraw/zinc/23/43/35/356234335.db2.gz NGNDDCJIHIJQCZ-UHFFFAOYSA-N 1 2 227.308 -0.719 20 0 BBADLO CNC(=O)C[N@@H+](C)[C@H]1CCN(C2CCC2)C1=O ZINC000639450609 356234384 /nfs/dbraw/zinc/23/43/84/356234384.db2.gz UHAMEWHVDKKXCT-JTQLQIEISA-N 1 2 239.319 -0.182 20 0 BBADLO CNC(=O)C[N@H+](C)[C@H]1CCN(C2CCC2)C1=O ZINC000639450609 356234381 /nfs/dbraw/zinc/23/43/81/356234381.db2.gz UHAMEWHVDKKXCT-JTQLQIEISA-N 1 2 239.319 -0.182 20 0 BBADLO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C2CCC2)C1=O ZINC000639450610 356234917 /nfs/dbraw/zinc/23/49/17/356234917.db2.gz UHAMEWHVDKKXCT-SNVBAGLBSA-N 1 2 239.319 -0.182 20 0 BBADLO CNC(=O)C[N@H+](C)[C@@H]1CCN(C2CCC2)C1=O ZINC000639450610 356234914 /nfs/dbraw/zinc/23/49/14/356234914.db2.gz UHAMEWHVDKKXCT-SNVBAGLBSA-N 1 2 239.319 -0.182 20 0 BBADLO C[N@@H+](CC(N)=O)[C@@H]1CCN(C2CCC2)C1=O ZINC000639452099 356231886 /nfs/dbraw/zinc/23/18/86/356231886.db2.gz WWVNPHPQKAKOIN-SECBINFHSA-N 1 2 225.292 -0.443 20 0 BBADLO C[N@H+](CC(N)=O)[C@@H]1CCN(C2CCC2)C1=O ZINC000639452099 356231884 /nfs/dbraw/zinc/23/18/84/356231884.db2.gz WWVNPHPQKAKOIN-SECBINFHSA-N 1 2 225.292 -0.443 20 0 BBADLO C[N@@H+](CC(N)=O)[C@H]1CCN(C2CCC2)C1=O ZINC000639452106 356231963 /nfs/dbraw/zinc/23/19/63/356231963.db2.gz WWVNPHPQKAKOIN-VIFPVBQESA-N 1 2 225.292 -0.443 20 0 BBADLO C[N@H+](CC(N)=O)[C@H]1CCN(C2CCC2)C1=O ZINC000639452106 356231960 /nfs/dbraw/zinc/23/19/60/356231960.db2.gz WWVNPHPQKAKOIN-VIFPVBQESA-N 1 2 225.292 -0.443 20 0 BBADLO C[N@@H+](CCO)CC(=O)Nc1ccccn1 ZINC000639467530 356253519 /nfs/dbraw/zinc/25/35/19/356253519.db2.gz HZSUGFRGLAZZIC-UHFFFAOYSA-N 1 2 209.249 -0.056 20 0 BBADLO C[N@H+](CCO)CC(=O)Nc1ccccn1 ZINC000639467530 356253515 /nfs/dbraw/zinc/25/35/15/356253515.db2.gz HZSUGFRGLAZZIC-UHFFFAOYSA-N 1 2 209.249 -0.056 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1CCc1cnccn1 ZINC000639471116 356260733 /nfs/dbraw/zinc/26/07/33/356260733.db2.gz ATHHJKPUTIZFLN-SECBINFHSA-N 1 2 220.276 -0.161 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1CCc1cnccn1 ZINC000639471116 356260732 /nfs/dbraw/zinc/26/07/32/356260732.db2.gz ATHHJKPUTIZFLN-SECBINFHSA-N 1 2 220.276 -0.161 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1CCc1cnccn1 ZINC000639471123 356260925 /nfs/dbraw/zinc/26/09/25/356260925.db2.gz ATHHJKPUTIZFLN-VIFPVBQESA-N 1 2 220.276 -0.161 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1CCc1cnccn1 ZINC000639471123 356260924 /nfs/dbraw/zinc/26/09/24/356260924.db2.gz ATHHJKPUTIZFLN-VIFPVBQESA-N 1 2 220.276 -0.161 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC000639471679 356260667 /nfs/dbraw/zinc/26/06/67/356260667.db2.gz DXBCUCKLODYVEQ-BDAKNGLRSA-N 1 2 235.291 -0.414 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC000639471679 356260665 /nfs/dbraw/zinc/26/06/65/356260665.db2.gz DXBCUCKLODYVEQ-BDAKNGLRSA-N 1 2 235.291 -0.414 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC000639471685 356260720 /nfs/dbraw/zinc/26/07/20/356260720.db2.gz DXBCUCKLODYVEQ-DTWKUNHWSA-N 1 2 235.291 -0.414 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1C[C@H]1CCc2ncnn21 ZINC000639471685 356260718 /nfs/dbraw/zinc/26/07/18/356260718.db2.gz DXBCUCKLODYVEQ-DTWKUNHWSA-N 1 2 235.291 -0.414 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC000639471686 356261039 /nfs/dbraw/zinc/26/10/39/356261039.db2.gz DXBCUCKLODYVEQ-IUCAKERBSA-N 1 2 235.291 -0.414 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC000639471686 356261034 /nfs/dbraw/zinc/26/10/34/356261034.db2.gz DXBCUCKLODYVEQ-IUCAKERBSA-N 1 2 235.291 -0.414 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC000639471687 356260989 /nfs/dbraw/zinc/26/09/89/356260989.db2.gz DXBCUCKLODYVEQ-RKDXNWHRSA-N 1 2 235.291 -0.414 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CCc2ncnn21 ZINC000639471687 356260986 /nfs/dbraw/zinc/26/09/86/356260986.db2.gz DXBCUCKLODYVEQ-RKDXNWHRSA-N 1 2 235.291 -0.414 20 0 BBADLO O=C(C[N@H+]1CCNC(=O)CC1)Nc1ccccn1 ZINC000639474033 356267796 /nfs/dbraw/zinc/26/77/96/356267796.db2.gz JVUKHZZONZOHKP-UHFFFAOYSA-N 1 2 248.286 -0.158 20 0 BBADLO O=C(C[N@@H+]1CCNC(=O)CC1)Nc1ccccn1 ZINC000639474033 356267791 /nfs/dbraw/zinc/26/77/91/356267791.db2.gz JVUKHZZONZOHKP-UHFFFAOYSA-N 1 2 248.286 -0.158 20 0 BBADLO OCC[NH+](CCO)Cc1nc(CC2CC2)no1 ZINC000639474792 356269154 /nfs/dbraw/zinc/26/91/54/356269154.db2.gz RXAHOVMOHHVOFO-UHFFFAOYSA-N 1 2 241.291 -0.191 20 0 BBADLO CC(=O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000639483258 356297845 /nfs/dbraw/zinc/29/78/45/356297845.db2.gz RERKHGSNRIOVNT-SECBINFHSA-N 1 2 249.336 -0.920 20 0 BBADLO CC(=O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000639483258 356297843 /nfs/dbraw/zinc/29/78/43/356297843.db2.gz RERKHGSNRIOVNT-SECBINFHSA-N 1 2 249.336 -0.920 20 0 BBADLO CC(=O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000639483259 356297820 /nfs/dbraw/zinc/29/78/20/356297820.db2.gz RERKHGSNRIOVNT-VIFPVBQESA-N 1 2 249.336 -0.920 20 0 BBADLO CC(=O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000639483259 356297817 /nfs/dbraw/zinc/29/78/17/356297817.db2.gz RERKHGSNRIOVNT-VIFPVBQESA-N 1 2 249.336 -0.920 20 0 BBADLO CC(=O)C[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000639484671 356300870 /nfs/dbraw/zinc/30/08/70/356300870.db2.gz KHGLKQCXLSKSIR-SECBINFHSA-N 1 2 234.321 -0.411 20 0 BBADLO CC(=O)C[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000639484671 356300868 /nfs/dbraw/zinc/30/08/68/356300868.db2.gz KHGLKQCXLSKSIR-SECBINFHSA-N 1 2 234.321 -0.411 20 0 BBADLO CC(=O)C[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000639484672 356300790 /nfs/dbraw/zinc/30/07/90/356300790.db2.gz KHGLKQCXLSKSIR-VIFPVBQESA-N 1 2 234.321 -0.411 20 0 BBADLO CC(=O)C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000639484672 356300787 /nfs/dbraw/zinc/30/07/87/356300787.db2.gz KHGLKQCXLSKSIR-VIFPVBQESA-N 1 2 234.321 -0.411 20 0 BBADLO CC(=O)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000639492554 356311601 /nfs/dbraw/zinc/31/16/01/356311601.db2.gz YDTOWGJIQURIBX-MRVPVSSYSA-N 1 2 220.294 -0.801 20 0 BBADLO CC(=O)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000639492554 356311599 /nfs/dbraw/zinc/31/15/99/356311599.db2.gz YDTOWGJIQURIBX-MRVPVSSYSA-N 1 2 220.294 -0.801 20 0 BBADLO CC(=O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000639492555 356311577 /nfs/dbraw/zinc/31/15/77/356311577.db2.gz YDTOWGJIQURIBX-QMMMGPOBSA-N 1 2 220.294 -0.801 20 0 BBADLO CC(=O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000639492555 356311575 /nfs/dbraw/zinc/31/15/75/356311575.db2.gz YDTOWGJIQURIBX-QMMMGPOBSA-N 1 2 220.294 -0.801 20 0 BBADLO CN1CC[N@@H+](CCc2cnccn2)CC1=O ZINC000639493826 356316721 /nfs/dbraw/zinc/31/67/21/356316721.db2.gz FBBPZZMKVWWDDQ-UHFFFAOYSA-N 1 2 220.276 -0.207 20 0 BBADLO CN1CC[N@H+](CCc2cnccn2)CC1=O ZINC000639493826 356316719 /nfs/dbraw/zinc/31/67/19/356316719.db2.gz FBBPZZMKVWWDDQ-UHFFFAOYSA-N 1 2 220.276 -0.207 20 0 BBADLO CN1CC[N@@H+](C[C@H]2CCc3ncnn32)CC1=O ZINC000639496126 356322606 /nfs/dbraw/zinc/32/26/06/356322606.db2.gz UZCQRXYGSPEVES-SECBINFHSA-N 1 2 235.291 -0.461 20 0 BBADLO CN1CC[N@H+](C[C@H]2CCc3ncnn32)CC1=O ZINC000639496126 356322603 /nfs/dbraw/zinc/32/26/03/356322603.db2.gz UZCQRXYGSPEVES-SECBINFHSA-N 1 2 235.291 -0.461 20 0 BBADLO CN1CC[N@@H+](C[C@@H]2CCc3ncnn32)CC1=O ZINC000639496129 356322596 /nfs/dbraw/zinc/32/25/96/356322596.db2.gz UZCQRXYGSPEVES-VIFPVBQESA-N 1 2 235.291 -0.461 20 0 BBADLO CN1CC[N@H+](C[C@@H]2CCc3ncnn32)CC1=O ZINC000639496129 356322593 /nfs/dbraw/zinc/32/25/93/356322593.db2.gz UZCQRXYGSPEVES-VIFPVBQESA-N 1 2 235.291 -0.461 20 0 BBADLO CC(=O)C[N@@H+](C)CCN1CCCS1(=O)=O ZINC000639506997 356334249 /nfs/dbraw/zinc/33/42/49/356334249.db2.gz GCHWNZDJOGEXJE-UHFFFAOYSA-N 1 2 234.321 -0.457 20 0 BBADLO CC(=O)C[N@H+](C)CCN1CCCS1(=O)=O ZINC000639506997 356334248 /nfs/dbraw/zinc/33/42/48/356334248.db2.gz GCHWNZDJOGEXJE-UHFFFAOYSA-N 1 2 234.321 -0.457 20 0 BBADLO CC(=O)C[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000639508260 356332986 /nfs/dbraw/zinc/33/29/86/356332986.db2.gz UUELATWCIMDYIW-SECBINFHSA-N 1 2 234.321 -0.424 20 0 BBADLO CC(=O)C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000639508260 356332983 /nfs/dbraw/zinc/33/29/83/356332983.db2.gz UUELATWCIMDYIW-SECBINFHSA-N 1 2 234.321 -0.424 20 0 BBADLO CC(=O)C[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000639508261 356332697 /nfs/dbraw/zinc/33/26/97/356332697.db2.gz UUELATWCIMDYIW-VIFPVBQESA-N 1 2 234.321 -0.424 20 0 BBADLO CC(=O)C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000639508261 356332692 /nfs/dbraw/zinc/33/26/92/356332692.db2.gz UUELATWCIMDYIW-VIFPVBQESA-N 1 2 234.321 -0.424 20 0 BBADLO O[C@@H]1C[N@H+](Cc2nc(CC3CC3)no2)C[C@@H]1O ZINC000639508986 356338116 /nfs/dbraw/zinc/33/81/16/356338116.db2.gz WFUBLIHOOUSMLK-DTORHVGOSA-N 1 2 239.275 -0.441 20 0 BBADLO O[C@@H]1C[N@@H+](Cc2nc(CC3CC3)no2)C[C@@H]1O ZINC000639508986 356338115 /nfs/dbraw/zinc/33/81/15/356338115.db2.gz WFUBLIHOOUSMLK-DTORHVGOSA-N 1 2 239.275 -0.441 20 0 BBADLO O=C(C[N@H+]1C[C@@H](O)[C@@H](O)C1)Nc1ccccn1 ZINC000639509155 356338696 /nfs/dbraw/zinc/33/86/96/356338696.db2.gz XSRPIXHQMPXDHM-DTORHVGOSA-N 1 2 237.259 -0.943 20 0 BBADLO O=C(C[N@@H+]1C[C@@H](O)[C@@H](O)C1)Nc1ccccn1 ZINC000639509155 356338694 /nfs/dbraw/zinc/33/86/94/356338694.db2.gz XSRPIXHQMPXDHM-DTORHVGOSA-N 1 2 237.259 -0.943 20 0 BBADLO CC(=O)C[N@@H+](CCO)CCN1CCOCC1 ZINC000639510231 356342105 /nfs/dbraw/zinc/34/21/05/356342105.db2.gz ZEKKPYRZSPTIJW-UHFFFAOYSA-N 1 2 230.308 -0.798 20 0 BBADLO CC(=O)C[N@H+](CCO)CCN1CCOCC1 ZINC000639510231 356342102 /nfs/dbraw/zinc/34/21/02/356342102.db2.gz ZEKKPYRZSPTIJW-UHFFFAOYSA-N 1 2 230.308 -0.798 20 0 BBADLO CCN1C(=O)[C@H]2C[N@@H+](CC(C)=O)CCN2C1=O ZINC000639512550 356349277 /nfs/dbraw/zinc/34/92/77/356349277.db2.gz BMPNQWVFXPYSQD-SECBINFHSA-N 1 2 239.275 -0.456 20 0 BBADLO CCN1C(=O)[C@H]2C[N@H+](CC(C)=O)CCN2C1=O ZINC000639512550 356349274 /nfs/dbraw/zinc/34/92/74/356349274.db2.gz BMPNQWVFXPYSQD-SECBINFHSA-N 1 2 239.275 -0.456 20 0 BBADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(C)=O)CCN2C1=O ZINC000639512551 356349173 /nfs/dbraw/zinc/34/91/73/356349173.db2.gz BMPNQWVFXPYSQD-VIFPVBQESA-N 1 2 239.275 -0.456 20 0 BBADLO CCN1C(=O)[C@@H]2C[N@H+](CC(C)=O)CCN2C1=O ZINC000639512551 356349169 /nfs/dbraw/zinc/34/91/69/356349169.db2.gz BMPNQWVFXPYSQD-VIFPVBQESA-N 1 2 239.275 -0.456 20 0 BBADLO CC(=O)C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000639522019 356368034 /nfs/dbraw/zinc/36/80/34/356368034.db2.gz XNVCORJFSRVHBV-JTQLQIEISA-N 1 2 248.348 -0.163 20 0 BBADLO CC(=O)C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000639522019 356368032 /nfs/dbraw/zinc/36/80/32/356368032.db2.gz XNVCORJFSRVHBV-JTQLQIEISA-N 1 2 248.348 -0.163 20 0 BBADLO CC(=O)C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000639522020 356368340 /nfs/dbraw/zinc/36/83/40/356368340.db2.gz XNVCORJFSRVHBV-SNVBAGLBSA-N 1 2 248.348 -0.163 20 0 BBADLO CC(=O)C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000639522020 356368336 /nfs/dbraw/zinc/36/83/36/356368336.db2.gz XNVCORJFSRVHBV-SNVBAGLBSA-N 1 2 248.348 -0.163 20 0 BBADLO CC(=O)C[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000639529151 356378062 /nfs/dbraw/zinc/37/80/62/356378062.db2.gz JIZXBTXJJRSUHJ-MRVPVSSYSA-N 1 2 220.294 -0.672 20 0 BBADLO CC(=O)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000639529151 356378058 /nfs/dbraw/zinc/37/80/58/356378058.db2.gz JIZXBTXJJRSUHJ-MRVPVSSYSA-N 1 2 220.294 -0.672 20 0 BBADLO CC(=O)C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000639529155 356378020 /nfs/dbraw/zinc/37/80/20/356378020.db2.gz JIZXBTXJJRSUHJ-QMMMGPOBSA-N 1 2 220.294 -0.672 20 0 BBADLO CC(=O)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000639529155 356378016 /nfs/dbraw/zinc/37/80/16/356378016.db2.gz JIZXBTXJJRSUHJ-QMMMGPOBSA-N 1 2 220.294 -0.672 20 0 BBADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CC(C)=O)C1 ZINC000639530611 356379681 /nfs/dbraw/zinc/37/96/81/356379681.db2.gz FIFHDVONHJPJOW-SECBINFHSA-N 1 2 234.321 -0.411 20 0 BBADLO CNS(=O)(=O)[C@@H]1CCC[N@H+](CC(C)=O)C1 ZINC000639530611 356379679 /nfs/dbraw/zinc/37/96/79/356379679.db2.gz FIFHDVONHJPJOW-SECBINFHSA-N 1 2 234.321 -0.411 20 0 BBADLO CNS(=O)(=O)[C@H]1CCC[N@@H+](CC(C)=O)C1 ZINC000639530612 356379722 /nfs/dbraw/zinc/37/97/22/356379722.db2.gz FIFHDVONHJPJOW-VIFPVBQESA-N 1 2 234.321 -0.411 20 0 BBADLO CNS(=O)(=O)[C@H]1CCC[N@H+](CC(C)=O)C1 ZINC000639530612 356379718 /nfs/dbraw/zinc/37/97/18/356379718.db2.gz FIFHDVONHJPJOW-VIFPVBQESA-N 1 2 234.321 -0.411 20 0 BBADLO CC(=O)C[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000639534858 356387186 /nfs/dbraw/zinc/38/71/86/356387186.db2.gz FCDAODKFTNZKDX-UHFFFAOYSA-N 1 2 248.348 -0.069 20 0 BBADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(C)=O ZINC000639536583 356391583 /nfs/dbraw/zinc/39/15/83/356391583.db2.gz SIOYLVVHHYTARK-SECBINFHSA-N 1 2 234.321 -0.411 20 0 BBADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(C)=O ZINC000639536583 356391582 /nfs/dbraw/zinc/39/15/82/356391582.db2.gz SIOYLVVHHYTARK-SECBINFHSA-N 1 2 234.321 -0.411 20 0 BBADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(C)=O ZINC000639536584 356391660 /nfs/dbraw/zinc/39/16/60/356391660.db2.gz SIOYLVVHHYTARK-VIFPVBQESA-N 1 2 234.321 -0.411 20 0 BBADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(C)=O ZINC000639536584 356391659 /nfs/dbraw/zinc/39/16/59/356391659.db2.gz SIOYLVVHHYTARK-VIFPVBQESA-N 1 2 234.321 -0.411 20 0 BBADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(C)=O)C1 ZINC000639545644 356406653 /nfs/dbraw/zinc/40/66/53/356406653.db2.gz XZQTZXQJKYZFLU-MRVPVSSYSA-N 1 2 220.294 -0.801 20 0 BBADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC(C)=O)C1 ZINC000639545644 356406649 /nfs/dbraw/zinc/40/66/49/356406649.db2.gz XZQTZXQJKYZFLU-MRVPVSSYSA-N 1 2 220.294 -0.801 20 0 BBADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC(C)=O)C1 ZINC000639545645 356406810 /nfs/dbraw/zinc/40/68/10/356406810.db2.gz XZQTZXQJKYZFLU-QMMMGPOBSA-N 1 2 220.294 -0.801 20 0 BBADLO CNS(=O)(=O)[C@H]1CC[N@H+](CC(C)=O)C1 ZINC000639545645 356406809 /nfs/dbraw/zinc/40/68/09/356406809.db2.gz XZQTZXQJKYZFLU-QMMMGPOBSA-N 1 2 220.294 -0.801 20 0 BBADLO CC(=O)C[NH+]1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000639547485 356410994 /nfs/dbraw/zinc/41/09/94/356410994.db2.gz WRIMPVIAQPOXEK-UHFFFAOYSA-N 1 2 237.307 -0.180 20 0 BBADLO CC(=O)C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000639550828 356428845 /nfs/dbraw/zinc/42/88/45/356428845.db2.gz BKIAEZBUGKWINO-UHFFFAOYSA-N 1 2 234.321 -0.424 20 0 BBADLO CC(=O)C[N@H+](C)CCNC(=O)N(C)C ZINC000639557844 356461908 /nfs/dbraw/zinc/46/19/08/356461908.db2.gz RGADUCKFNBJRFT-UHFFFAOYSA-N 1 2 201.270 -0.222 20 0 BBADLO CC(=O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000639557844 356461904 /nfs/dbraw/zinc/46/19/04/356461904.db2.gz RGADUCKFNBJRFT-UHFFFAOYSA-N 1 2 201.270 -0.222 20 0 BBADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC(C)=O)C1 ZINC000639558121 356463292 /nfs/dbraw/zinc/46/32/92/356463292.db2.gz CJMPFNAVISAWKW-SECBINFHSA-N 1 2 234.321 -0.411 20 0 BBADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC(C)=O)C1 ZINC000639558121 356463290 /nfs/dbraw/zinc/46/32/90/356463290.db2.gz CJMPFNAVISAWKW-SECBINFHSA-N 1 2 234.321 -0.411 20 0 BBADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CC(C)=O)C1 ZINC000639558123 356463151 /nfs/dbraw/zinc/46/31/51/356463151.db2.gz CJMPFNAVISAWKW-VIFPVBQESA-N 1 2 234.321 -0.411 20 0 BBADLO CCNS(=O)(=O)[C@H]1CC[N@H+](CC(C)=O)C1 ZINC000639558123 356463148 /nfs/dbraw/zinc/46/31/48/356463148.db2.gz CJMPFNAVISAWKW-VIFPVBQESA-N 1 2 234.321 -0.411 20 0 BBADLO CC(=O)C[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000639558851 356464495 /nfs/dbraw/zinc/46/44/95/356464495.db2.gz IQHFHYPSONFQKW-MRVPVSSYSA-N 1 2 220.294 -0.672 20 0 BBADLO CC(=O)C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000639558851 356464493 /nfs/dbraw/zinc/46/44/93/356464493.db2.gz IQHFHYPSONFQKW-MRVPVSSYSA-N 1 2 220.294 -0.672 20 0 BBADLO CC(=O)C[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000639558852 356464464 /nfs/dbraw/zinc/46/44/64/356464464.db2.gz IQHFHYPSONFQKW-QMMMGPOBSA-N 1 2 220.294 -0.672 20 0 BBADLO CC(=O)C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000639558852 356464460 /nfs/dbraw/zinc/46/44/60/356464460.db2.gz IQHFHYPSONFQKW-QMMMGPOBSA-N 1 2 220.294 -0.672 20 0 BBADLO NC(=O)C1([NH2+]CC(=O)Nc2ccccn2)CC1 ZINC000639573087 356496475 /nfs/dbraw/zinc/49/64/75/356496475.db2.gz ZWVCBELPCSYVKZ-UHFFFAOYSA-N 1 2 234.259 -0.372 20 0 BBADLO CCN1CC[N@@H+](C[C@@H]2CCc3ncnn32)CC1=O ZINC000639583406 356506463 /nfs/dbraw/zinc/50/64/63/356506463.db2.gz MPSBWEMYHVYNSG-JTQLQIEISA-N 1 2 249.318 -0.071 20 0 BBADLO CCN1CC[N@H+](C[C@@H]2CCc3ncnn32)CC1=O ZINC000639583406 356506460 /nfs/dbraw/zinc/50/64/60/356506460.db2.gz MPSBWEMYHVYNSG-JTQLQIEISA-N 1 2 249.318 -0.071 20 0 BBADLO CCN1CC[N@@H+](C[C@H]2CCc3ncnn32)CC1=O ZINC000639583407 356506247 /nfs/dbraw/zinc/50/62/47/356506247.db2.gz MPSBWEMYHVYNSG-SNVBAGLBSA-N 1 2 249.318 -0.071 20 0 BBADLO CCN1CC[N@H+](C[C@H]2CCc3ncnn32)CC1=O ZINC000639583407 356506242 /nfs/dbraw/zinc/50/62/42/356506242.db2.gz MPSBWEMYHVYNSG-SNVBAGLBSA-N 1 2 249.318 -0.071 20 0 BBADLO Cn1c[nH+]cc1CCN1CCn2c(n[nH]c2=O)C1 ZINC000639585319 356508064 /nfs/dbraw/zinc/50/80/64/356508064.db2.gz CBVGPNIAWQDQFR-UHFFFAOYSA-N 1 2 248.290 -0.225 20 0 BBADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC000639599818 356519349 /nfs/dbraw/zinc/51/93/49/356519349.db2.gz VDRQIMNSTXGNKL-NXEZZACHSA-N 1 2 249.318 -0.072 20 0 BBADLO C[C@@H]1C(=O)N(C)CC[N@H+]1C[C@H]1CCc2ncnn21 ZINC000639599818 356519347 /nfs/dbraw/zinc/51/93/47/356519347.db2.gz VDRQIMNSTXGNKL-NXEZZACHSA-N 1 2 249.318 -0.072 20 0 BBADLO C[C@H]1C(=O)N(C)CC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC000639599819 356518928 /nfs/dbraw/zinc/51/89/28/356518928.db2.gz VDRQIMNSTXGNKL-UWVGGRQHSA-N 1 2 249.318 -0.072 20 0 BBADLO C[C@H]1C(=O)N(C)CC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC000639599819 356518926 /nfs/dbraw/zinc/51/89/26/356518926.db2.gz VDRQIMNSTXGNKL-UWVGGRQHSA-N 1 2 249.318 -0.072 20 0 BBADLO C[C@H]1C(=O)N(C)CC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC000639599820 356519242 /nfs/dbraw/zinc/51/92/42/356519242.db2.gz VDRQIMNSTXGNKL-VHSXEESVSA-N 1 2 249.318 -0.072 20 0 BBADLO C[C@H]1C(=O)N(C)CC[N@H+]1C[C@H]1CCc2ncnn21 ZINC000639599820 356519240 /nfs/dbraw/zinc/51/92/40/356519240.db2.gz VDRQIMNSTXGNKL-VHSXEESVSA-N 1 2 249.318 -0.072 20 0 BBADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC000639599821 356519199 /nfs/dbraw/zinc/51/91/99/356519199.db2.gz VDRQIMNSTXGNKL-ZJUUUORDSA-N 1 2 249.318 -0.072 20 0 BBADLO C[C@@H]1C(=O)N(C)CC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC000639599821 356519198 /nfs/dbraw/zinc/51/91/98/356519198.db2.gz VDRQIMNSTXGNKL-ZJUUUORDSA-N 1 2 249.318 -0.072 20 0 BBADLO CCC(F)(F)C[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000639605858 356526662 /nfs/dbraw/zinc/52/66/62/356526662.db2.gz HIKRQDRRKCRLAK-MRVPVSSYSA-N 1 2 222.235 -0.046 20 0 BBADLO CCC(F)(F)C[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000639605858 356526659 /nfs/dbraw/zinc/52/66/59/356526659.db2.gz HIKRQDRRKCRLAK-MRVPVSSYSA-N 1 2 222.235 -0.046 20 0 BBADLO CCC(F)(F)C[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000639605859 356526881 /nfs/dbraw/zinc/52/68/81/356526881.db2.gz HIKRQDRRKCRLAK-QMMMGPOBSA-N 1 2 222.235 -0.046 20 0 BBADLO CCC(F)(F)C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000639605859 356526877 /nfs/dbraw/zinc/52/68/77/356526877.db2.gz HIKRQDRRKCRLAK-QMMMGPOBSA-N 1 2 222.235 -0.046 20 0 BBADLO Cn1ccc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)n1 ZINC000639613868 411844545 /nfs/dbraw/zinc/84/45/45/411844545.db2.gz HSQMESXSYFPYRD-MRVPVSSYSA-N 1 2 246.274 0.363 20 0 BBADLO Cn1ccc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)n1 ZINC000639613869 411846039 /nfs/dbraw/zinc/84/60/39/411846039.db2.gz HSQMESXSYFPYRD-QMMMGPOBSA-N 1 2 246.274 0.363 20 0 BBADLO CNS(=O)(=O)NC1CC[NH+](CC(C)=O)CC1 ZINC000639618791 356536305 /nfs/dbraw/zinc/53/63/05/356536305.db2.gz FHJQCGMKLRETBK-UHFFFAOYSA-N 1 2 249.336 -0.906 20 0 BBADLO CC1(C)CNC(=O)C[N@H+]1C[C@H]1CCc2ncnn21 ZINC000639626820 356538814 /nfs/dbraw/zinc/53/88/14/356538814.db2.gz BPDPZVUACNLQAO-SECBINFHSA-N 1 2 249.318 -0.024 20 0 BBADLO CC1(C)CNC(=O)C[N@@H+]1C[C@H]1CCc2ncnn21 ZINC000639626820 356538811 /nfs/dbraw/zinc/53/88/11/356538811.db2.gz BPDPZVUACNLQAO-SECBINFHSA-N 1 2 249.318 -0.024 20 0 BBADLO CC1(C)CNC(=O)C[N@H+]1C[C@@H]1CCc2ncnn21 ZINC000639626821 356538914 /nfs/dbraw/zinc/53/89/14/356538914.db2.gz BPDPZVUACNLQAO-VIFPVBQESA-N 1 2 249.318 -0.024 20 0 BBADLO CC1(C)CNC(=O)C[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC000639626821 356538910 /nfs/dbraw/zinc/53/89/10/356538910.db2.gz BPDPZVUACNLQAO-VIFPVBQESA-N 1 2 249.318 -0.024 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)CC(=O)N1C ZINC000639629354 356544484 /nfs/dbraw/zinc/54/44/84/356544484.db2.gz UBWDADUTGKSZMG-NXEZZACHSA-N 1 2 249.318 -0.072 20 0 BBADLO C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)CC(=O)N1C ZINC000639629354 356544481 /nfs/dbraw/zinc/54/44/81/356544481.db2.gz UBWDADUTGKSZMG-NXEZZACHSA-N 1 2 249.318 -0.072 20 0 BBADLO C[C@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)CC(=O)N1C ZINC000639629355 356544522 /nfs/dbraw/zinc/54/45/22/356544522.db2.gz UBWDADUTGKSZMG-UWVGGRQHSA-N 1 2 249.318 -0.072 20 0 BBADLO C[C@H]1C[N@H+](C[C@@H]2CCc3ncnn32)CC(=O)N1C ZINC000639629355 356544517 /nfs/dbraw/zinc/54/45/17/356544517.db2.gz UBWDADUTGKSZMG-UWVGGRQHSA-N 1 2 249.318 -0.072 20 0 BBADLO C[C@H]1C[N@@H+](C[C@H]2CCc3ncnn32)CC(=O)N1C ZINC000639629356 356544927 /nfs/dbraw/zinc/54/49/27/356544927.db2.gz UBWDADUTGKSZMG-VHSXEESVSA-N 1 2 249.318 -0.072 20 0 BBADLO C[C@H]1C[N@H+](C[C@H]2CCc3ncnn32)CC(=O)N1C ZINC000639629356 356544924 /nfs/dbraw/zinc/54/49/24/356544924.db2.gz UBWDADUTGKSZMG-VHSXEESVSA-N 1 2 249.318 -0.072 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)CC(=O)N1C ZINC000639629357 356544166 /nfs/dbraw/zinc/54/41/66/356544166.db2.gz UBWDADUTGKSZMG-ZJUUUORDSA-N 1 2 249.318 -0.072 20 0 BBADLO C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)CC(=O)N1C ZINC000639629357 356544163 /nfs/dbraw/zinc/54/41/63/356544163.db2.gz UBWDADUTGKSZMG-ZJUUUORDSA-N 1 2 249.318 -0.072 20 0 BBADLO CC(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000639637716 356550827 /nfs/dbraw/zinc/55/08/27/356550827.db2.gz JOKBRKJAIOOBRV-UHFFFAOYSA-N 1 2 248.348 -0.163 20 0 BBADLO CC(=O)C[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000639642112 356555584 /nfs/dbraw/zinc/55/55/84/356555584.db2.gz NDFPAENOMOJLHN-JTQLQIEISA-N 1 2 248.348 -0.069 20 0 BBADLO CC(=O)C[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000639642112 356555583 /nfs/dbraw/zinc/55/55/83/356555583.db2.gz NDFPAENOMOJLHN-JTQLQIEISA-N 1 2 248.348 -0.069 20 0 BBADLO CC(=O)C[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000639642113 356555510 /nfs/dbraw/zinc/55/55/10/356555510.db2.gz NDFPAENOMOJLHN-SNVBAGLBSA-N 1 2 248.348 -0.069 20 0 BBADLO CC(=O)C[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000639642113 356555508 /nfs/dbraw/zinc/55/55/08/356555508.db2.gz NDFPAENOMOJLHN-SNVBAGLBSA-N 1 2 248.348 -0.069 20 0 BBADLO CC(=O)C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000639655142 356560608 /nfs/dbraw/zinc/56/06/08/356560608.db2.gz JVOLEEYHPLIQKS-LLVKDONJSA-N 1 2 238.291 -0.004 20 0 BBADLO CC(=O)C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000639655142 356560604 /nfs/dbraw/zinc/56/06/04/356560604.db2.gz JVOLEEYHPLIQKS-LLVKDONJSA-N 1 2 238.291 -0.004 20 0 BBADLO CC(=O)C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000639655143 356560509 /nfs/dbraw/zinc/56/05/09/356560509.db2.gz JVOLEEYHPLIQKS-NSHDSACASA-N 1 2 238.291 -0.004 20 0 BBADLO CC(=O)C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000639655143 356560505 /nfs/dbraw/zinc/56/05/05/356560505.db2.gz JVOLEEYHPLIQKS-NSHDSACASA-N 1 2 238.291 -0.004 20 0 BBADLO CN(C)C(=O)C[N@@H+](C)C(C)(C)C(N)=O ZINC000639660647 356569064 /nfs/dbraw/zinc/56/90/64/356569064.db2.gz WDEDCABDTLZURQ-UHFFFAOYSA-N 1 2 201.270 -0.730 20 0 BBADLO CN(C)C(=O)C[N@H+](C)C(C)(C)C(N)=O ZINC000639660647 356569062 /nfs/dbraw/zinc/56/90/62/356569062.db2.gz WDEDCABDTLZURQ-UHFFFAOYSA-N 1 2 201.270 -0.730 20 0 BBADLO O=C(C[NH2+]C(CO)CO)c1ccccc1F ZINC000639661964 356575517 /nfs/dbraw/zinc/57/55/17/356575517.db2.gz IFODDYBWEZHPTB-UHFFFAOYSA-N 1 2 227.235 -0.049 20 0 BBADLO OCC(CO)[NH2+]Cc1nc(CC2CC2)no1 ZINC000639663102 356577584 /nfs/dbraw/zinc/57/75/84/356577584.db2.gz QKABBGGOJJCONR-UHFFFAOYSA-N 1 2 227.264 -0.535 20 0 BBADLO OCC(CO)[NH2+]Cc1nc(C2CCC2)no1 ZINC000639663183 356577617 /nfs/dbraw/zinc/57/76/17/356577617.db2.gz QTCPDRLNPSOXAH-UHFFFAOYSA-N 1 2 227.264 -0.220 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H](C)N1CCO ZINC000639663238 356577495 /nfs/dbraw/zinc/57/74/95/356577495.db2.gz KPPXAHHQNCDPNO-PHIMTYICSA-N 1 2 243.351 -0.539 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H](C)N1CCO ZINC000639663238 356577492 /nfs/dbraw/zinc/57/74/92/356577492.db2.gz KPPXAHHQNCDPNO-PHIMTYICSA-N 1 2 243.351 -0.539 20 0 BBADLO C[C@@H]1C[N@@H+](CCc2ccnn2C)CC(=O)N1 ZINC000639663573 356577440 /nfs/dbraw/zinc/57/74/40/356577440.db2.gz DFHKBHYEHFKERM-SECBINFHSA-N 1 2 222.292 -0.217 20 0 BBADLO C[C@@H]1C[N@H+](CCc2ccnn2C)CC(=O)N1 ZINC000639663573 356577437 /nfs/dbraw/zinc/57/74/37/356577437.db2.gz DFHKBHYEHFKERM-SECBINFHSA-N 1 2 222.292 -0.217 20 0 BBADLO C[C@H]1C[N@@H+](CCc2ccnn2C)CC(=O)N1 ZINC000639663574 356577312 /nfs/dbraw/zinc/57/73/12/356577312.db2.gz DFHKBHYEHFKERM-VIFPVBQESA-N 1 2 222.292 -0.217 20 0 BBADLO C[C@H]1C[N@H+](CCc2ccnn2C)CC(=O)N1 ZINC000639663574 356577309 /nfs/dbraw/zinc/57/73/09/356577309.db2.gz DFHKBHYEHFKERM-VIFPVBQESA-N 1 2 222.292 -0.217 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)CC(=O)N1 ZINC000639664129 356578566 /nfs/dbraw/zinc/57/85/66/356578566.db2.gz GDBBERBIPBHFHB-BDAKNGLRSA-N 1 2 235.291 -0.414 20 0 BBADLO C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)CC(=O)N1 ZINC000639664129 356578565 /nfs/dbraw/zinc/57/85/65/356578565.db2.gz GDBBERBIPBHFHB-BDAKNGLRSA-N 1 2 235.291 -0.414 20 0 BBADLO C[C@H]1C[N@@H+](C[C@H]2CCc3ncnn32)CC(=O)N1 ZINC000639664131 356578577 /nfs/dbraw/zinc/57/85/77/356578577.db2.gz GDBBERBIPBHFHB-DTWKUNHWSA-N 1 2 235.291 -0.414 20 0 BBADLO C[C@H]1C[N@H+](C[C@H]2CCc3ncnn32)CC(=O)N1 ZINC000639664131 356578575 /nfs/dbraw/zinc/57/85/75/356578575.db2.gz GDBBERBIPBHFHB-DTWKUNHWSA-N 1 2 235.291 -0.414 20 0 BBADLO C[C@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)CC(=O)N1 ZINC000639664132 356578590 /nfs/dbraw/zinc/57/85/90/356578590.db2.gz GDBBERBIPBHFHB-IUCAKERBSA-N 1 2 235.291 -0.414 20 0 BBADLO C[C@H]1C[N@H+](C[C@@H]2CCc3ncnn32)CC(=O)N1 ZINC000639664132 356578588 /nfs/dbraw/zinc/57/85/88/356578588.db2.gz GDBBERBIPBHFHB-IUCAKERBSA-N 1 2 235.291 -0.414 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)CC(=O)N1 ZINC000639664133 356578611 /nfs/dbraw/zinc/57/86/11/356578611.db2.gz GDBBERBIPBHFHB-RKDXNWHRSA-N 1 2 235.291 -0.414 20 0 BBADLO C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)CC(=O)N1 ZINC000639664133 356578610 /nfs/dbraw/zinc/57/86/10/356578610.db2.gz GDBBERBIPBHFHB-RKDXNWHRSA-N 1 2 235.291 -0.414 20 0 BBADLO C[C@@H]1C[N@@H+](CCc2cnccn2)CC(=O)N1 ZINC000639666834 356581482 /nfs/dbraw/zinc/58/14/82/356581482.db2.gz WUMBKEFYGMZLDN-SECBINFHSA-N 1 2 220.276 -0.161 20 0 BBADLO C[C@@H]1C[N@H+](CCc2cnccn2)CC(=O)N1 ZINC000639666834 356581481 /nfs/dbraw/zinc/58/14/81/356581481.db2.gz WUMBKEFYGMZLDN-SECBINFHSA-N 1 2 220.276 -0.161 20 0 BBADLO C[C@H]1C[N@@H+](CCc2cnccn2)CC(=O)N1 ZINC000639666835 356581160 /nfs/dbraw/zinc/58/11/60/356581160.db2.gz WUMBKEFYGMZLDN-VIFPVBQESA-N 1 2 220.276 -0.161 20 0 BBADLO C[C@H]1C[N@H+](CCc2cnccn2)CC(=O)N1 ZINC000639666835 356581157 /nfs/dbraw/zinc/58/11/57/356581157.db2.gz WUMBKEFYGMZLDN-VIFPVBQESA-N 1 2 220.276 -0.161 20 0 BBADLO CC(=O)C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000639667817 356574256 /nfs/dbraw/zinc/57/42/56/356574256.db2.gz CXVVPMPPSNWSMP-IUCAKERBSA-N 1 2 212.249 -0.835 20 0 BBADLO CC(=O)C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000639667817 356574253 /nfs/dbraw/zinc/57/42/53/356574253.db2.gz CXVVPMPPSNWSMP-IUCAKERBSA-N 1 2 212.249 -0.835 20 0 BBADLO COCC[C@@H](C)[N@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000639670624 356586506 /nfs/dbraw/zinc/58/65/06/356586506.db2.gz MQOCVQFUACPEOU-SECBINFHSA-N 1 2 243.307 -0.959 20 0 BBADLO COCC[C@@H](C)[N@@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000639670624 356586503 /nfs/dbraw/zinc/58/65/03/356586503.db2.gz MQOCVQFUACPEOU-SECBINFHSA-N 1 2 243.307 -0.959 20 0 BBADLO COCC[C@H](C)[N@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000639670625 356586856 /nfs/dbraw/zinc/58/68/56/356586856.db2.gz MQOCVQFUACPEOU-VIFPVBQESA-N 1 2 243.307 -0.959 20 0 BBADLO COCC[C@H](C)[N@@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000639670625 356586853 /nfs/dbraw/zinc/58/68/53/356586853.db2.gz MQOCVQFUACPEOU-VIFPVBQESA-N 1 2 243.307 -0.959 20 0 BBADLO COCC(COC)[NH+]1CCN(CC(C)=O)CC1 ZINC000639672289 356588338 /nfs/dbraw/zinc/58/83/38/356588338.db2.gz GIBCVJDXDVPWGJ-UHFFFAOYSA-N 1 2 244.335 -0.146 20 0 BBADLO C[C@@H](O)[C@@H]1C[N@@H+](CC(=O)N(C)C)CCO1 ZINC000639673343 356590469 /nfs/dbraw/zinc/59/04/69/356590469.db2.gz NNCMJXTXGSFRAL-BDAKNGLRSA-N 1 2 216.281 -0.844 20 0 BBADLO C[C@@H](O)[C@@H]1C[N@H+](CC(=O)N(C)C)CCO1 ZINC000639673343 356590466 /nfs/dbraw/zinc/59/04/66/356590466.db2.gz NNCMJXTXGSFRAL-BDAKNGLRSA-N 1 2 216.281 -0.844 20 0 BBADLO C[C@H](O)[C@H]1C[N@@H+](CC(=O)N(C)C)CCO1 ZINC000639673344 356590461 /nfs/dbraw/zinc/59/04/61/356590461.db2.gz NNCMJXTXGSFRAL-DTWKUNHWSA-N 1 2 216.281 -0.844 20 0 BBADLO C[C@H](O)[C@H]1C[N@H+](CC(=O)N(C)C)CCO1 ZINC000639673344 356590458 /nfs/dbraw/zinc/59/04/58/356590458.db2.gz NNCMJXTXGSFRAL-DTWKUNHWSA-N 1 2 216.281 -0.844 20 0 BBADLO C[C@H](O)[C@@H]1C[N@@H+](CC(=O)N(C)C)CCO1 ZINC000639673345 356590729 /nfs/dbraw/zinc/59/07/29/356590729.db2.gz NNCMJXTXGSFRAL-IUCAKERBSA-N 1 2 216.281 -0.844 20 0 BBADLO C[C@H](O)[C@@H]1C[N@H+](CC(=O)N(C)C)CCO1 ZINC000639673345 356590725 /nfs/dbraw/zinc/59/07/25/356590725.db2.gz NNCMJXTXGSFRAL-IUCAKERBSA-N 1 2 216.281 -0.844 20 0 BBADLO C[C@@H](O)[C@H]1C[N@@H+](CC(=O)N(C)C)CCO1 ZINC000639673346 356590719 /nfs/dbraw/zinc/59/07/19/356590719.db2.gz NNCMJXTXGSFRAL-RKDXNWHRSA-N 1 2 216.281 -0.844 20 0 BBADLO C[C@@H](O)[C@H]1C[N@H+](CC(=O)N(C)C)CCO1 ZINC000639673346 356590715 /nfs/dbraw/zinc/59/07/15/356590715.db2.gz NNCMJXTXGSFRAL-RKDXNWHRSA-N 1 2 216.281 -0.844 20 0 BBADLO Cc1nc([C@@H]2CC[N@H+](CC(=O)N(C)C)C2)n[nH]1 ZINC000639677699 356593674 /nfs/dbraw/zinc/59/36/74/356593674.db2.gz RWLRYMTVLXIVJE-SECBINFHSA-N 1 2 237.307 -0.009 20 0 BBADLO Cc1nc([C@@H]2CC[N@@H+](CC(=O)N(C)C)C2)n[nH]1 ZINC000639677699 356593673 /nfs/dbraw/zinc/59/36/73/356593673.db2.gz RWLRYMTVLXIVJE-SECBINFHSA-N 1 2 237.307 -0.009 20 0 BBADLO Cc1n[nH]c([C@@H]2CC[N@H+](CC(=O)N(C)C)C2)n1 ZINC000639677699 356593671 /nfs/dbraw/zinc/59/36/71/356593671.db2.gz RWLRYMTVLXIVJE-SECBINFHSA-N 1 2 237.307 -0.009 20 0 BBADLO Cc1n[nH]c([C@@H]2CC[N@@H+](CC(=O)N(C)C)C2)n1 ZINC000639677699 356593670 /nfs/dbraw/zinc/59/36/70/356593670.db2.gz RWLRYMTVLXIVJE-SECBINFHSA-N 1 2 237.307 -0.009 20 0 BBADLO Cc1nnc([C@@H]2CC[N@H+](CC(=O)N(C)C)C2)[nH]1 ZINC000639677699 356593668 /nfs/dbraw/zinc/59/36/68/356593668.db2.gz RWLRYMTVLXIVJE-SECBINFHSA-N 1 2 237.307 -0.009 20 0 BBADLO Cc1nnc([C@@H]2CC[N@@H+](CC(=O)N(C)C)C2)[nH]1 ZINC000639677699 356593666 /nfs/dbraw/zinc/59/36/66/356593666.db2.gz RWLRYMTVLXIVJE-SECBINFHSA-N 1 2 237.307 -0.009 20 0 BBADLO Cc1nc([C@H]2CC[N@H+](CC(=O)N(C)C)C2)n[nH]1 ZINC000639677700 356593759 /nfs/dbraw/zinc/59/37/59/356593759.db2.gz RWLRYMTVLXIVJE-VIFPVBQESA-N 1 2 237.307 -0.009 20 0 BBADLO Cc1nc([C@H]2CC[N@@H+](CC(=O)N(C)C)C2)n[nH]1 ZINC000639677700 356593758 /nfs/dbraw/zinc/59/37/58/356593758.db2.gz RWLRYMTVLXIVJE-VIFPVBQESA-N 1 2 237.307 -0.009 20 0 BBADLO Cc1n[nH]c([C@H]2CC[N@H+](CC(=O)N(C)C)C2)n1 ZINC000639677700 356593757 /nfs/dbraw/zinc/59/37/57/356593757.db2.gz RWLRYMTVLXIVJE-VIFPVBQESA-N 1 2 237.307 -0.009 20 0 BBADLO Cc1n[nH]c([C@H]2CC[N@@H+](CC(=O)N(C)C)C2)n1 ZINC000639677700 356593756 /nfs/dbraw/zinc/59/37/56/356593756.db2.gz RWLRYMTVLXIVJE-VIFPVBQESA-N 1 2 237.307 -0.009 20 0 BBADLO Cc1nnc([C@H]2CC[N@H+](CC(=O)N(C)C)C2)[nH]1 ZINC000639677700 356593755 /nfs/dbraw/zinc/59/37/55/356593755.db2.gz RWLRYMTVLXIVJE-VIFPVBQESA-N 1 2 237.307 -0.009 20 0 BBADLO Cc1nnc([C@H]2CC[N@@H+](CC(=O)N(C)C)C2)[nH]1 ZINC000639677700 356593754 /nfs/dbraw/zinc/59/37/54/356593754.db2.gz RWLRYMTVLXIVJE-VIFPVBQESA-N 1 2 237.307 -0.009 20 0 BBADLO CNC(=O)C[N@@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@H]1C ZINC000639686973 356596772 /nfs/dbraw/zinc/59/67/72/356596772.db2.gz ADGWVGNGMVYQPJ-DJLDLDEBSA-N 1 2 227.308 -0.328 20 0 BBADLO CNC(=O)C[N@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@H]1C ZINC000639686973 356596771 /nfs/dbraw/zinc/59/67/71/356596771.db2.gz ADGWVGNGMVYQPJ-DJLDLDEBSA-N 1 2 227.308 -0.328 20 0 BBADLO CNC(=O)C[N@@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@@H]1C ZINC000639686978 356596661 /nfs/dbraw/zinc/59/66/61/356596661.db2.gz ADGWVGNGMVYQPJ-HRDYMLBCSA-N 1 2 227.308 -0.328 20 0 BBADLO CNC(=O)C[N@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@@H]1C ZINC000639686978 356596658 /nfs/dbraw/zinc/59/66/58/356596658.db2.gz ADGWVGNGMVYQPJ-HRDYMLBCSA-N 1 2 227.308 -0.328 20 0 BBADLO CNC(=O)C[N@@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@H]1C ZINC000639686980 356596731 /nfs/dbraw/zinc/59/67/31/356596731.db2.gz ADGWVGNGMVYQPJ-IWSPIJDZSA-N 1 2 227.308 -0.328 20 0 BBADLO CNC(=O)C[N@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@H]1C ZINC000639686980 356596729 /nfs/dbraw/zinc/59/67/29/356596729.db2.gz ADGWVGNGMVYQPJ-IWSPIJDZSA-N 1 2 227.308 -0.328 20 0 BBADLO CNC(=O)C[N@@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]1C ZINC000639686981 356596652 /nfs/dbraw/zinc/59/66/52/356596652.db2.gz ADGWVGNGMVYQPJ-XHNCKOQMSA-N 1 2 227.308 -0.328 20 0 BBADLO CNC(=O)C[N@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]1C ZINC000639686981 356596649 /nfs/dbraw/zinc/59/66/49/356596649.db2.gz ADGWVGNGMVYQPJ-XHNCKOQMSA-N 1 2 227.308 -0.328 20 0 BBADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@H+]1CC(N)=O ZINC000639689295 356598560 /nfs/dbraw/zinc/59/85/60/356598560.db2.gz YYDXYAIHCVZXEN-BWZBUEFSSA-N 1 2 213.281 -0.589 20 0 BBADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@@H+]1CC(N)=O ZINC000639689295 356598558 /nfs/dbraw/zinc/59/85/58/356598558.db2.gz YYDXYAIHCVZXEN-BWZBUEFSSA-N 1 2 213.281 -0.589 20 0 BBADLO C[C@@H]1[C@H](C)[N@@H+](CC(N)=O)[C@@H](C)C(=O)N1C ZINC000639689296 356598595 /nfs/dbraw/zinc/59/85/95/356598595.db2.gz YYDXYAIHCVZXEN-CSMHCCOUSA-N 1 2 213.281 -0.589 20 0 BBADLO C[C@@H]1[C@H](C)[N@H+](CC(N)=O)[C@@H](C)C(=O)N1C ZINC000639689296 356598591 /nfs/dbraw/zinc/59/85/91/356598591.db2.gz YYDXYAIHCVZXEN-CSMHCCOUSA-N 1 2 213.281 -0.589 20 0 BBADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1CC(N)=O ZINC000639689297 356598131 /nfs/dbraw/zinc/59/81/31/356598131.db2.gz YYDXYAIHCVZXEN-GJMOJQLCSA-N 1 2 213.281 -0.589 20 0 BBADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1CC(N)=O ZINC000639689297 356598129 /nfs/dbraw/zinc/59/81/29/356598129.db2.gz YYDXYAIHCVZXEN-GJMOJQLCSA-N 1 2 213.281 -0.589 20 0 BBADLO C[C@@H]1[C@@H](C)[N@@H+](CC(N)=O)[C@@H](C)C(=O)N1C ZINC000639689298 356598437 /nfs/dbraw/zinc/59/84/37/356598437.db2.gz YYDXYAIHCVZXEN-PRJMDXOYSA-N 1 2 213.281 -0.589 20 0 BBADLO C[C@@H]1[C@@H](C)[N@H+](CC(N)=O)[C@@H](C)C(=O)N1C ZINC000639689298 356598435 /nfs/dbraw/zinc/59/84/35/356598435.db2.gz YYDXYAIHCVZXEN-PRJMDXOYSA-N 1 2 213.281 -0.589 20 0 BBADLO CC1(C(N)=O)C[NH+](CC(=O)Nc2ccccn2)C1 ZINC000639693035 356602439 /nfs/dbraw/zinc/60/24/39/356602439.db2.gz KWOHVBVKQNVZPW-UHFFFAOYSA-N 1 2 248.286 -0.173 20 0 BBADLO Cc1nn(CC(=O)Nc2cc[nH+]cc2C)c(=O)o1 ZINC000639698792 356606508 /nfs/dbraw/zinc/60/65/08/356606508.db2.gz PRICSTLMQFZYSD-UHFFFAOYSA-N 1 2 248.242 -0.091 20 0 BBADLO CO[C@@H](C)C[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000639720206 356618407 /nfs/dbraw/zinc/61/84/07/356618407.db2.gz DPQUFSTYYVYFES-JTQLQIEISA-N 1 2 239.323 -0.043 20 0 BBADLO CO[C@H](C)C[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000639720215 356618571 /nfs/dbraw/zinc/61/85/71/356618571.db2.gz DPQUFSTYYVYFES-SNVBAGLBSA-N 1 2 239.323 -0.043 20 0 BBADLO CN(C)C(=O)C[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639726778 356622305 /nfs/dbraw/zinc/62/23/05/356622305.db2.gz GDGLMPXPMLXPKK-UHFFFAOYSA-N 1 2 238.295 -0.985 20 0 BBADLO CCNC(=O)C[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639727562 356621573 /nfs/dbraw/zinc/62/15/73/356621573.db2.gz PJGDMWKXPSOZTL-UHFFFAOYSA-N 1 2 238.295 -0.937 20 0 BBADLO Cn1cc(C[NH+]2CCN(c3nc[nH]n3)CC2)cn1 ZINC000639730022 356624617 /nfs/dbraw/zinc/62/46/17/356624617.db2.gz DIJRZNNYQZBBCP-UHFFFAOYSA-N 1 2 247.306 -0.140 20 0 BBADLO CC[C@H](C(N)=O)[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639730362 356624383 /nfs/dbraw/zinc/62/43/83/356624383.db2.gz JFASUUOTALNGQY-MRVPVSSYSA-N 1 2 238.295 -0.809 20 0 BBADLO CC[C@@H](C(N)=O)[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639730364 356624575 /nfs/dbraw/zinc/62/45/75/356624575.db2.gz JFASUUOTALNGQY-QMMMGPOBSA-N 1 2 238.295 -0.809 20 0 BBADLO c1c[nH+]c(CN2CCN(c3nc[nH]n3)CC2)[nH]1 ZINC000639730366 356624006 /nfs/dbraw/zinc/62/40/06/356624006.db2.gz JGPALGITJXJXHB-UHFFFAOYSA-N 1 2 233.279 -0.150 20 0 BBADLO c1nc(N2CC[NH+](Cc3cn[nH]c3)CC2)n[nH]1 ZINC000639730517 356624460 /nfs/dbraw/zinc/62/44/60/356624460.db2.gz BSUJZLMWWLHRNK-UHFFFAOYSA-N 1 2 233.279 -0.150 20 0 BBADLO Cn1cc[nH+]c1CN1CCN(c2nc[nH]n2)CC1 ZINC000639731203 356624522 /nfs/dbraw/zinc/62/45/22/356624522.db2.gz VQZDLVRKLXHNCK-UHFFFAOYSA-N 1 2 247.306 -0.140 20 0 BBADLO c1nc(N2CCN(Cc3c[nH+]c[nH]3)CC2)n[nH]1 ZINC000639731496 356624955 /nfs/dbraw/zinc/62/49/55/356624955.db2.gz IYFJIZZLSCURFJ-UHFFFAOYSA-N 1 2 233.279 -0.150 20 0 BBADLO c1nc(N2CC[NH+](CCc3c[nH]nn3)CC2)n[nH]1 ZINC000639731729 356625256 /nfs/dbraw/zinc/62/52/56/356625256.db2.gz KEXRIQGTEYARTA-UHFFFAOYSA-N 1 2 248.294 -0.713 20 0 BBADLO c1nc(N2CC[NH+](CCc3cn[nH]n3)CC2)n[nH]1 ZINC000639731729 356625253 /nfs/dbraw/zinc/62/52/53/356625253.db2.gz KEXRIQGTEYARTA-UHFFFAOYSA-N 1 2 248.294 -0.713 20 0 BBADLO Cn1nccc1C[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639732147 356623242 /nfs/dbraw/zinc/62/32/42/356623242.db2.gz CJGDEJCCQLALAD-UHFFFAOYSA-N 1 2 247.306 -0.140 20 0 BBADLO Cn1c[nH+]c(CN2CCN(c3nc[nH]n3)CC2)c1 ZINC000639732865 356625938 /nfs/dbraw/zinc/62/59/38/356625938.db2.gz WPZYSDDBLQBCTM-UHFFFAOYSA-N 1 2 247.306 -0.140 20 0 BBADLO Cn1c[nH+]cc1CN1CCN(c2nc[nH]n2)CC1 ZINC000639733470 356626730 /nfs/dbraw/zinc/62/67/30/356626730.db2.gz PNIYPMLTKHSELI-UHFFFAOYSA-N 1 2 247.306 -0.140 20 0 BBADLO 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ZINC000639836834 356823803 /nfs/dbraw/zinc/82/38/03/356823803.db2.gz NIKNLWACGVGZDL-GHMZBOCLSA-N 1 2 245.319 -0.043 20 0 BBADLO CO[C@@H]1C[N@@H+](C[C@H](O)CC2(O)CCC2)CCO1 ZINC000639836835 356823256 /nfs/dbraw/zinc/82/32/56/356823256.db2.gz NIKNLWACGVGZDL-MNOVXSKESA-N 1 2 245.319 -0.043 20 0 BBADLO CO[C@@H]1C[N@H+](C[C@H](O)CC2(O)CCC2)CCO1 ZINC000639836835 356823252 /nfs/dbraw/zinc/82/32/52/356823252.db2.gz NIKNLWACGVGZDL-MNOVXSKESA-N 1 2 245.319 -0.043 20 0 BBADLO CO[C@@H]1C[N@@H+](C[C@@H](O)CC2(O)CCC2)CCO1 ZINC000639836836 356823906 /nfs/dbraw/zinc/82/39/06/356823906.db2.gz NIKNLWACGVGZDL-QWRGUYRKSA-N 1 2 245.319 -0.043 20 0 BBADLO CO[C@@H]1C[N@H+](C[C@@H](O)CC2(O)CCC2)CCO1 ZINC000639836836 356823903 /nfs/dbraw/zinc/82/39/03/356823903.db2.gz NIKNLWACGVGZDL-QWRGUYRKSA-N 1 2 245.319 -0.043 20 0 BBADLO CO[C@H]1C[N@@H+](C[C@@H](O)CC2(O)CCC2)CCO1 ZINC000639836838 356823884 /nfs/dbraw/zinc/82/38/84/356823884.db2.gz NIKNLWACGVGZDL-WDEREUQCSA-N 1 2 245.319 -0.043 20 0 BBADLO 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COC[C@H](C[N@@H+]1CCO[C@@H](OC)C1)OC ZINC000639837466 356830576 /nfs/dbraw/zinc/83/05/76/356830576.db2.gz QTHIMVBGTBHFSD-VHSXEESVSA-N 1 2 219.281 -0.048 20 0 BBADLO COC[C@@H](C[N@H+]1CCO[C@H](OC)C1)OC ZINC000639837470 356830135 /nfs/dbraw/zinc/83/01/35/356830135.db2.gz QTHIMVBGTBHFSD-ZJUUUORDSA-N 1 2 219.281 -0.048 20 0 BBADLO COC[C@@H](C[N@@H+]1CCO[C@H](OC)C1)OC ZINC000639837470 356830133 /nfs/dbraw/zinc/83/01/33/356830133.db2.gz QTHIMVBGTBHFSD-ZJUUUORDSA-N 1 2 219.281 -0.048 20 0 BBADLO CO[C@@H]1C[N@@H+](CCc2cn(C)nn2)CCO1 ZINC000639838968 356832873 /nfs/dbraw/zinc/83/28/73/356832873.db2.gz XJTYGZZFUBSVQB-JTQLQIEISA-N 1 2 226.280 -0.338 20 0 BBADLO CO[C@@H]1C[N@H+](CCc2cn(C)nn2)CCO1 ZINC000639838968 356832871 /nfs/dbraw/zinc/83/28/71/356832871.db2.gz XJTYGZZFUBSVQB-JTQLQIEISA-N 1 2 226.280 -0.338 20 0 BBADLO CO[C@H]1C[N@@H+](CCc2cn(C)nn2)CCO1 ZINC000639838970 356832929 /nfs/dbraw/zinc/83/29/29/356832929.db2.gz XJTYGZZFUBSVQB-SNVBAGLBSA-N 1 2 226.280 -0.338 20 0 BBADLO 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ZINC000639840486 356831786 /nfs/dbraw/zinc/83/17/86/356831786.db2.gz XRULKYKRZMWTGA-NXEZZACHSA-N 1 2 217.265 -0.294 20 0 BBADLO CO[C@@H]1C[N@@H+](C[C@H]2COCCO2)CCO1 ZINC000639840489 356831947 /nfs/dbraw/zinc/83/19/47/356831947.db2.gz XRULKYKRZMWTGA-UWVGGRQHSA-N 1 2 217.265 -0.294 20 0 BBADLO CO[C@@H]1C[N@H+](C[C@H]2COCCO2)CCO1 ZINC000639840489 356831945 /nfs/dbraw/zinc/83/19/45/356831945.db2.gz XRULKYKRZMWTGA-UWVGGRQHSA-N 1 2 217.265 -0.294 20 0 BBADLO CO[C@H]1C[N@@H+](C[C@H]2COCCO2)CCO1 ZINC000639840490 356831768 /nfs/dbraw/zinc/83/17/68/356831768.db2.gz XRULKYKRZMWTGA-VHSXEESVSA-N 1 2 217.265 -0.294 20 0 BBADLO CO[C@H]1C[N@H+](C[C@H]2COCCO2)CCO1 ZINC000639840490 356831763 /nfs/dbraw/zinc/83/17/63/356831763.db2.gz XRULKYKRZMWTGA-VHSXEESVSA-N 1 2 217.265 -0.294 20 0 BBADLO CO[C@@H]1C[N@@H+](C[C@@H]2COCCO2)CCO1 ZINC000639840491 356831705 /nfs/dbraw/zinc/83/17/05/356831705.db2.gz XRULKYKRZMWTGA-ZJUUUORDSA-N 1 2 217.265 -0.294 20 0 BBADLO CO[C@@H]1C[N@H+](C[C@@H]2COCCO2)CCO1 ZINC000639840491 356831703 /nfs/dbraw/zinc/83/17/03/356831703.db2.gz XRULKYKRZMWTGA-ZJUUUORDSA-N 1 2 217.265 -0.294 20 0 BBADLO COCCOC[C@H](O)C[N@H+]1CCO[C@@H](OC)C1 ZINC000639840506 356836096 /nfs/dbraw/zinc/83/60/96/356836096.db2.gz XUIVIWNVHIUOSM-GHMZBOCLSA-N 1 2 249.307 -0.685 20 0 BBADLO COCCOC[C@H](O)C[N@@H+]1CCO[C@@H](OC)C1 ZINC000639840506 356836095 /nfs/dbraw/zinc/83/60/95/356836095.db2.gz XUIVIWNVHIUOSM-GHMZBOCLSA-N 1 2 249.307 -0.685 20 0 BBADLO COCCOC[C@H](O)C[N@H+]1CCO[C@H](OC)C1 ZINC000639840507 356835493 /nfs/dbraw/zinc/83/54/93/356835493.db2.gz XUIVIWNVHIUOSM-MNOVXSKESA-N 1 2 249.307 -0.685 20 0 BBADLO COCCOC[C@H](O)C[N@@H+]1CCO[C@H](OC)C1 ZINC000639840507 356835489 /nfs/dbraw/zinc/83/54/89/356835489.db2.gz XUIVIWNVHIUOSM-MNOVXSKESA-N 1 2 249.307 -0.685 20 0 BBADLO COCCOC[C@@H](O)C[N@H+]1CCO[C@H](OC)C1 ZINC000639840509 356835736 /nfs/dbraw/zinc/83/57/36/356835736.db2.gz XUIVIWNVHIUOSM-QWRGUYRKSA-N 1 2 249.307 -0.685 20 0 BBADLO COCCOC[C@@H](O)C[N@@H+]1CCO[C@H](OC)C1 ZINC000639840509 356835731 /nfs/dbraw/zinc/83/57/31/356835731.db2.gz XUIVIWNVHIUOSM-QWRGUYRKSA-N 1 2 249.307 -0.685 20 0 BBADLO COCCOC[C@@H](O)C[N@H+]1CCO[C@@H](OC)C1 ZINC000639840510 356835812 /nfs/dbraw/zinc/83/58/12/356835812.db2.gz XUIVIWNVHIUOSM-WDEREUQCSA-N 1 2 249.307 -0.685 20 0 BBADLO COCCOC[C@@H](O)C[N@@H+]1CCO[C@@H](OC)C1 ZINC000639840510 356835807 /nfs/dbraw/zinc/83/58/07/356835807.db2.gz XUIVIWNVHIUOSM-WDEREUQCSA-N 1 2 249.307 -0.685 20 0 BBADLO CCc1nnc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)[nH]1 ZINC000639847455 386836258 /nfs/dbraw/zinc/83/62/58/386836258.db2.gz BGSDYZFYFIVJJJ-GZMMTYOYSA-N 1 2 240.307 -0.315 20 0 BBADLO CCc1nnc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)[nH]1 ZINC000639847455 386836254 /nfs/dbraw/zinc/83/62/54/386836254.db2.gz BGSDYZFYFIVJJJ-GZMMTYOYSA-N 1 2 240.307 -0.315 20 0 BBADLO CCc1nnc(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)[nH]1 ZINC000639847456 386836799 /nfs/dbraw/zinc/83/67/99/386836799.db2.gz BGSDYZFYFIVJJJ-KCJUWKMLSA-N 1 2 240.307 -0.315 20 0 BBADLO CCc1nnc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)[nH]1 ZINC000639847456 386836791 /nfs/dbraw/zinc/83/67/91/386836791.db2.gz BGSDYZFYFIVJJJ-KCJUWKMLSA-N 1 2 240.307 -0.315 20 0 BBADLO CCc1nnc(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)[nH]1 ZINC000639847457 386836059 /nfs/dbraw/zinc/83/60/59/386836059.db2.gz BGSDYZFYFIVJJJ-KWQFWETISA-N 1 2 240.307 -0.315 20 0 BBADLO CCc1nnc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)[nH]1 ZINC000639847457 386836054 /nfs/dbraw/zinc/83/60/54/386836054.db2.gz BGSDYZFYFIVJJJ-KWQFWETISA-N 1 2 240.307 -0.315 20 0 BBADLO CCc1nnc(C[N@H+]2C[C@H](O)C[C@]2(C)CO)[nH]1 ZINC000639847458 386837399 /nfs/dbraw/zinc/83/73/99/386837399.db2.gz BGSDYZFYFIVJJJ-LDYMZIIASA-N 1 2 240.307 -0.315 20 0 BBADLO CCc1nnc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)[nH]1 ZINC000639847458 386837392 /nfs/dbraw/zinc/83/73/92/386837392.db2.gz BGSDYZFYFIVJJJ-LDYMZIIASA-N 1 2 240.307 -0.315 20 0 BBADLO C[C@]1(CO)C[C@@H](O)C[N@@H+]1CCc1cnn[nH]1 ZINC000639849889 356850611 /nfs/dbraw/zinc/85/06/11/356850611.db2.gz RLIVDIFTXXJJDJ-NXEZZACHSA-N 1 2 226.280 -0.835 20 0 BBADLO C[C@@]1(CO)C[C@H](O)C[N@@H+]1CCc1cnn[nH]1 ZINC000639849890 356851050 /nfs/dbraw/zinc/85/10/50/356851050.db2.gz RLIVDIFTXXJJDJ-UWVGGRQHSA-N 1 2 226.280 -0.835 20 0 BBADLO C[C@]1(CO)C[C@H](O)C[N@@H+]1CCc1cnn[nH]1 ZINC000639849891 356850988 /nfs/dbraw/zinc/85/09/88/356850988.db2.gz RLIVDIFTXXJJDJ-VHSXEESVSA-N 1 2 226.280 -0.835 20 0 BBADLO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1CCc1cnn[nH]1 ZINC000639849892 356851076 /nfs/dbraw/zinc/85/10/76/356851076.db2.gz RLIVDIFTXXJJDJ-ZJUUUORDSA-N 1 2 226.280 -0.835 20 0 BBADLO Cc1nnc(C[N@H+]2C[C@H](O)C[C@]2(C)CO)[nH]1 ZINC000639850581 356854125 /nfs/dbraw/zinc/85/41/25/356854125.db2.gz WBLYXFFDWYLVPC-PSASIEDQSA-N 1 2 226.280 -0.569 20 0 BBADLO Cc1nnc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)[nH]1 ZINC000639850581 356854121 /nfs/dbraw/zinc/85/41/21/356854121.db2.gz WBLYXFFDWYLVPC-PSASIEDQSA-N 1 2 226.280 -0.569 20 0 BBADLO Cc1nnc(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)[nH]1 ZINC000639850594 356853722 /nfs/dbraw/zinc/85/37/22/356853722.db2.gz WBLYXFFDWYLVPC-SCZZXKLOSA-N 1 2 226.280 -0.569 20 0 BBADLO Cc1nnc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)[nH]1 ZINC000639850594 356853718 /nfs/dbraw/zinc/85/37/18/356853718.db2.gz WBLYXFFDWYLVPC-SCZZXKLOSA-N 1 2 226.280 -0.569 20 0 BBADLO Cc1nnc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)[nH]1 ZINC000639850596 356853785 /nfs/dbraw/zinc/85/37/85/356853785.db2.gz WBLYXFFDWYLVPC-WCBMZHEXSA-N 1 2 226.280 -0.569 20 0 BBADLO Cc1nnc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)[nH]1 ZINC000639850596 356853781 /nfs/dbraw/zinc/85/37/81/356853781.db2.gz WBLYXFFDWYLVPC-WCBMZHEXSA-N 1 2 226.280 -0.569 20 0 BBADLO Cc1nnc(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)[nH]1 ZINC000639850597 356854142 /nfs/dbraw/zinc/85/41/42/356854142.db2.gz WBLYXFFDWYLVPC-WPRPVWTQSA-N 1 2 226.280 -0.569 20 0 BBADLO Cc1nnc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)[nH]1 ZINC000639850597 356854138 /nfs/dbraw/zinc/85/41/38/356854138.db2.gz WBLYXFFDWYLVPC-WPRPVWTQSA-N 1 2 226.280 -0.569 20 0 BBADLO CCc1noc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)n1 ZINC000639856058 356860246 /nfs/dbraw/zinc/86/02/46/356860246.db2.gz OKCHIMVDEKDQLJ-GZMMTYOYSA-N 1 2 241.291 -0.050 20 0 BBADLO CCc1noc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)n1 ZINC000639856058 356860242 /nfs/dbraw/zinc/86/02/42/356860242.db2.gz OKCHIMVDEKDQLJ-GZMMTYOYSA-N 1 2 241.291 -0.050 20 0 BBADLO CCc1noc(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)n1 ZINC000639856063 356860664 /nfs/dbraw/zinc/86/06/64/356860664.db2.gz OKCHIMVDEKDQLJ-KCJUWKMLSA-N 1 2 241.291 -0.050 20 0 BBADLO CCc1noc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)n1 ZINC000639856063 356860659 /nfs/dbraw/zinc/86/06/59/356860659.db2.gz OKCHIMVDEKDQLJ-KCJUWKMLSA-N 1 2 241.291 -0.050 20 0 BBADLO CCc1noc(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)n1 ZINC000639856066 356860353 /nfs/dbraw/zinc/86/03/53/356860353.db2.gz OKCHIMVDEKDQLJ-KWQFWETISA-N 1 2 241.291 -0.050 20 0 BBADLO CCc1noc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)n1 ZINC000639856066 356860350 /nfs/dbraw/zinc/86/03/50/356860350.db2.gz OKCHIMVDEKDQLJ-KWQFWETISA-N 1 2 241.291 -0.050 20 0 BBADLO CCc1noc(C[N@H+]2C[C@H](O)C[C@]2(C)CO)n1 ZINC000639856067 356860277 /nfs/dbraw/zinc/86/02/77/356860277.db2.gz OKCHIMVDEKDQLJ-LDYMZIIASA-N 1 2 241.291 -0.050 20 0 BBADLO CCc1noc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)n1 ZINC000639856067 356860273 /nfs/dbraw/zinc/86/02/73/356860273.db2.gz OKCHIMVDEKDQLJ-LDYMZIIASA-N 1 2 241.291 -0.050 20 0 BBADLO C[N@H+]1CCN(Cc2cnns2)[C@@H](CO)C1 ZINC000639865907 356974447 /nfs/dbraw/zinc/97/44/47/356974447.db2.gz BAWOMWQDAGXKKS-MRVPVSSYSA-N 1 2 228.321 -0.354 20 0 BBADLO C[N@@H+]1CCN(Cc2cnns2)[C@@H](CO)C1 ZINC000639865907 356974444 /nfs/dbraw/zinc/97/44/44/356974444.db2.gz BAWOMWQDAGXKKS-MRVPVSSYSA-N 1 2 228.321 -0.354 20 0 BBADLO C[N@H+]1CCN(Cc2cnns2)[C@H](CO)C1 ZINC000639865908 356974545 /nfs/dbraw/zinc/97/45/45/356974545.db2.gz BAWOMWQDAGXKKS-QMMMGPOBSA-N 1 2 228.321 -0.354 20 0 BBADLO C[N@@H+]1CCN(Cc2cnns2)[C@H](CO)C1 ZINC000639865908 356974543 /nfs/dbraw/zinc/97/45/43/356974543.db2.gz BAWOMWQDAGXKKS-QMMMGPOBSA-N 1 2 228.321 -0.354 20 0 BBADLO Cc1nc(CN2CC[N@H+](C)C[C@@H]2CO)n[nH]1 ZINC000639867898 357000209 /nfs/dbraw/zinc/00/02/09/357000209.db2.gz PYGSTMWHLQPUIJ-SECBINFHSA-N 1 2 225.296 -0.779 20 0 BBADLO Cc1nc(CN2CC[N@@H+](C)C[C@@H]2CO)n[nH]1 ZINC000639867898 357000208 /nfs/dbraw/zinc/00/02/08/357000208.db2.gz PYGSTMWHLQPUIJ-SECBINFHSA-N 1 2 225.296 -0.779 20 0 BBADLO Cc1nc(CN2CC[N@H+](C)C[C@H]2CO)n[nH]1 ZINC000639867908 357000242 /nfs/dbraw/zinc/00/02/42/357000242.db2.gz PYGSTMWHLQPUIJ-VIFPVBQESA-N 1 2 225.296 -0.779 20 0 BBADLO Cc1nc(CN2CC[N@@H+](C)C[C@H]2CO)n[nH]1 ZINC000639867908 357000241 /nfs/dbraw/zinc/00/02/41/357000241.db2.gz PYGSTMWHLQPUIJ-VIFPVBQESA-N 1 2 225.296 -0.779 20 0 BBADLO Cc1nnc(CN2CC[N@H+](C)C[C@@H]2CO)s1 ZINC000639868648 357008060 /nfs/dbraw/zinc/00/80/60/357008060.db2.gz VWWMBYTUVIKGRP-SECBINFHSA-N 1 2 242.348 -0.045 20 0 BBADLO Cc1nnc(CN2CC[N@@H+](C)C[C@@H]2CO)s1 ZINC000639868648 357008057 /nfs/dbraw/zinc/00/80/57/357008057.db2.gz VWWMBYTUVIKGRP-SECBINFHSA-N 1 2 242.348 -0.045 20 0 BBADLO Cc1nnc(CN2CC[N@H+](C)C[C@H]2CO)s1 ZINC000639868650 357007945 /nfs/dbraw/zinc/00/79/45/357007945.db2.gz VWWMBYTUVIKGRP-VIFPVBQESA-N 1 2 242.348 -0.045 20 0 BBADLO Cc1nnc(CN2CC[N@@H+](C)C[C@H]2CO)s1 ZINC000639868650 357007941 /nfs/dbraw/zinc/00/79/41/357007941.db2.gz VWWMBYTUVIKGRP-VIFPVBQESA-N 1 2 242.348 -0.045 20 0 BBADLO Cn1[nH]cnc1=NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000639871993 357041682 /nfs/dbraw/zinc/04/16/82/357041682.db2.gz SFKHVJNWYHVYAZ-SSDOTTSWSA-N 1 2 247.262 -0.820 20 0 BBADLO Cn1[nH]cnc1=NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000639871996 357041726 /nfs/dbraw/zinc/04/17/26/357041726.db2.gz SFKHVJNWYHVYAZ-ZETCQYMHSA-N 1 2 247.262 -0.820 20 0 BBADLO CN(Cc1[nH]cc[nH+]1)C(=O)N=c1nc[nH]n1C ZINC000639872354 357042217 /nfs/dbraw/zinc/04/22/17/357042217.db2.gz VNUNVTPUXIVDMM-UHFFFAOYSA-N 1 2 235.251 -0.376 20 0 BBADLO CCc1nc(CN2CC[N@@H+](C)C[C@@H]2CO)n[nH]1 ZINC000639872797 357046530 /nfs/dbraw/zinc/04/65/30/357046530.db2.gz SGMDXIFLTUTWEJ-SECBINFHSA-N 1 2 239.323 -0.525 20 0 BBADLO CCc1nc(CN2CC[N@H+](C)C[C@@H]2CO)n[nH]1 ZINC000639872797 357046528 /nfs/dbraw/zinc/04/65/28/357046528.db2.gz SGMDXIFLTUTWEJ-SECBINFHSA-N 1 2 239.323 -0.525 20 0 BBADLO CCc1nc(CN2CC[N@@H+](C)C[C@H]2CO)n[nH]1 ZINC000639872803 357046487 /nfs/dbraw/zinc/04/64/87/357046487.db2.gz SGMDXIFLTUTWEJ-VIFPVBQESA-N 1 2 239.323 -0.525 20 0 BBADLO CCc1nc(CN2CC[N@H+](C)C[C@H]2CO)n[nH]1 ZINC000639872803 357046486 /nfs/dbraw/zinc/04/64/86/357046486.db2.gz SGMDXIFLTUTWEJ-VIFPVBQESA-N 1 2 239.323 -0.525 20 0 BBADLO COCCCN1CC[N@@H+](C)C[C@H]1CO ZINC000639873377 357047988 /nfs/dbraw/zinc/04/79/88/357047988.db2.gz ZALSIRALFMNJNU-JTQLQIEISA-N 1 2 202.298 -0.369 20 0 BBADLO COCCCN1CC[N@H+](C)C[C@H]1CO ZINC000639873377 357047985 /nfs/dbraw/zinc/04/79/85/357047985.db2.gz ZALSIRALFMNJNU-JTQLQIEISA-N 1 2 202.298 -0.369 20 0 BBADLO COCCCN1CC[N@@H+](C)C[C@@H]1CO ZINC000639873378 357048100 /nfs/dbraw/zinc/04/81/00/357048100.db2.gz ZALSIRALFMNJNU-SNVBAGLBSA-N 1 2 202.298 -0.369 20 0 BBADLO COCCCN1CC[N@H+](C)C[C@@H]1CO ZINC000639873378 357048099 /nfs/dbraw/zinc/04/80/99/357048099.db2.gz ZALSIRALFMNJNU-SNVBAGLBSA-N 1 2 202.298 -0.369 20 0 BBADLO C[C@H](C(=O)NCCCc1n[nH]c(=O)[nH]1)[NH+](C)C ZINC000639889403 357199208 /nfs/dbraw/zinc/19/92/08/357199208.db2.gz CUTIFBWOUOYYEH-SSDOTTSWSA-N 1 2 241.295 -0.491 20 0 BBADLO C[C@@H](C(=O)NCCCc1n[nH]c(=O)[nH]1)[NH+](C)C ZINC000639889404 357199119 /nfs/dbraw/zinc/19/91/19/357199119.db2.gz CUTIFBWOUOYYEH-ZETCQYMHSA-N 1 2 241.295 -0.491 20 0 BBADLO O[C@H]1C[NH+](Cc2nc(CC3CC3)no2)C[C@@H]1O ZINC000639891042 357211256 /nfs/dbraw/zinc/21/12/56/357211256.db2.gz WFUBLIHOOUSMLK-IUCAKERBSA-N 1 2 239.275 -0.441 20 0 BBADLO O=C(C[NH+]1C[C@H](O)[C@@H](O)C1)Nc1ccccn1 ZINC000639891251 357212150 /nfs/dbraw/zinc/21/21/50/357212150.db2.gz XSRPIXHQMPXDHM-IUCAKERBSA-N 1 2 237.259 -0.943 20 0 BBADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](CC(C)=O)C1 ZINC000639898169 357272195 /nfs/dbraw/zinc/27/21/95/357272195.db2.gz PCWJGBKOWKBVGQ-JTQLQIEISA-N 1 2 248.348 -0.163 20 0 BBADLO CNS(=O)(=O)C[C@H]1CCC[N@H+](CC(C)=O)C1 ZINC000639898169 357272192 /nfs/dbraw/zinc/27/21/92/357272192.db2.gz PCWJGBKOWKBVGQ-JTQLQIEISA-N 1 2 248.348 -0.163 20 0 BBADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CC(C)=O)C1 ZINC000639898170 357271870 /nfs/dbraw/zinc/27/18/70/357271870.db2.gz PCWJGBKOWKBVGQ-SNVBAGLBSA-N 1 2 248.348 -0.163 20 0 BBADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CC(C)=O)C1 ZINC000639898170 357271867 /nfs/dbraw/zinc/27/18/67/357271867.db2.gz PCWJGBKOWKBVGQ-SNVBAGLBSA-N 1 2 248.348 -0.163 20 0 BBADLO Cc1cc(NC(=O)N[C@@H]2COC[C@@H]2O)cc[nH+]1 ZINC000639899496 357282434 /nfs/dbraw/zinc/28/24/34/357282434.db2.gz AFHDZWHOHUDPQI-ZJUUUORDSA-N 1 2 237.259 -0.307 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1COC[C@@H]1O ZINC000639899990 357311106 /nfs/dbraw/zinc/31/11/06/357311106.db2.gz NWRCVOUWMIIGTP-ZJUUUORDSA-N 1 2 237.259 -0.307 20 0 BBADLO NC(=O)C[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000639926840 357858403 /nfs/dbraw/zinc/85/84/03/357858403.db2.gz CGSJMPBQHKNMLN-GHMZBOCLSA-N 1 2 236.271 -0.404 20 0 BBADLO NC(=O)C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000639926840 357858400 /nfs/dbraw/zinc/85/84/00/357858400.db2.gz CGSJMPBQHKNMLN-GHMZBOCLSA-N 1 2 236.271 -0.404 20 0 BBADLO Cc1noc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)n1 ZINC000639932032 357923942 /nfs/dbraw/zinc/92/39/42/357923942.db2.gz SKWQSLQCUIQZFU-SSDOTTSWSA-N 1 2 248.246 -0.257 20 0 BBADLO Cc1noc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)n1 ZINC000639932036 357923949 /nfs/dbraw/zinc/92/39/49/357923949.db2.gz SKWQSLQCUIQZFU-ZETCQYMHSA-N 1 2 248.246 -0.257 20 0 BBADLO C[C@@H]1CC[N@@H+](Cc2nnnn2C)[C@H](CO)C1 ZINC000639936858 357941145 /nfs/dbraw/zinc/94/11/45/357941145.db2.gz PROOCNQEASNMKX-BDAKNGLRSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@@H]1CC[N@H+](Cc2nnnn2C)[C@H](CO)C1 ZINC000639936858 357941141 /nfs/dbraw/zinc/94/11/41/357941141.db2.gz PROOCNQEASNMKX-BDAKNGLRSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@@H]1CC[N@@H+](Cc2nnn(C)n2)[C@H](CO)C1 ZINC000639938413 357943493 /nfs/dbraw/zinc/94/34/93/357943493.db2.gz WRRQVZUMUPWIOG-BDAKNGLRSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@@H]1CC[N@H+](Cc2nnn(C)n2)[C@H](CO)C1 ZINC000639938413 357943489 /nfs/dbraw/zinc/94/34/89/357943489.db2.gz WRRQVZUMUPWIOG-BDAKNGLRSA-N 1 2 225.296 -0.197 20 0 BBADLO C[C@]12C[NH+](Cc3cn[nH]n3)C[C@]1(C)C(=O)NC2=O ZINC000639945304 357970047 /nfs/dbraw/zinc/97/00/47/357970047.db2.gz UNGWLTWTQGBFFT-GHMZBOCLSA-N 1 2 249.274 -0.711 20 0 BBADLO C[C@]12C[NH+](Cc3cnn[nH]3)C[C@]1(C)C(=O)NC2=O ZINC000639945304 357970043 /nfs/dbraw/zinc/97/00/43/357970043.db2.gz UNGWLTWTQGBFFT-GHMZBOCLSA-N 1 2 249.274 -0.711 20 0 BBADLO C[C@]12C[NH+](Cc3c[nH]nn3)C[C@]1(C)C(=O)NC2=O ZINC000639945304 357970041 /nfs/dbraw/zinc/97/00/41/357970041.db2.gz UNGWLTWTQGBFFT-GHMZBOCLSA-N 1 2 249.274 -0.711 20 0 BBADLO C[C@]12C[N@@H+](Cc3cn[nH]n3)C[C@@]1(C)C(=O)NC2=O ZINC000639945305 357970304 /nfs/dbraw/zinc/97/03/04/357970304.db2.gz UNGWLTWTQGBFFT-PHIMTYICSA-N 1 2 249.274 -0.711 20 0 BBADLO C[C@]12C[N@H+](Cc3cn[nH]n3)C[C@@]1(C)C(=O)NC2=O ZINC000639945305 357970301 /nfs/dbraw/zinc/97/03/01/357970301.db2.gz UNGWLTWTQGBFFT-PHIMTYICSA-N 1 2 249.274 -0.711 20 0 BBADLO C[C@]12C[N@@H+](Cc3cnn[nH]3)C[C@@]1(C)C(=O)NC2=O ZINC000639945305 357970296 /nfs/dbraw/zinc/97/02/96/357970296.db2.gz UNGWLTWTQGBFFT-PHIMTYICSA-N 1 2 249.274 -0.711 20 0 BBADLO C[C@]12C[N@H+](Cc3cnn[nH]3)C[C@@]1(C)C(=O)NC2=O ZINC000639945305 357970295 /nfs/dbraw/zinc/97/02/95/357970295.db2.gz UNGWLTWTQGBFFT-PHIMTYICSA-N 1 2 249.274 -0.711 20 0 BBADLO C[C@]12C[N@@H+](Cc3c[nH]nn3)C[C@@]1(C)C(=O)NC2=O ZINC000639945305 357970291 /nfs/dbraw/zinc/97/02/91/357970291.db2.gz UNGWLTWTQGBFFT-PHIMTYICSA-N 1 2 249.274 -0.711 20 0 BBADLO C[C@]12C[N@H+](Cc3c[nH]nn3)C[C@@]1(C)C(=O)NC2=O ZINC000639945305 357970286 /nfs/dbraw/zinc/97/02/86/357970286.db2.gz UNGWLTWTQGBFFT-PHIMTYICSA-N 1 2 249.274 -0.711 20 0 BBADLO C[C@@]12C[NH+](Cc3cn[nH]n3)C[C@@]1(C)C(=O)NC2=O ZINC000639945306 357970114 /nfs/dbraw/zinc/97/01/14/357970114.db2.gz UNGWLTWTQGBFFT-QWRGUYRKSA-N 1 2 249.274 -0.711 20 0 BBADLO C[C@@]12C[NH+](Cc3cnn[nH]3)C[C@@]1(C)C(=O)NC2=O ZINC000639945306 357970111 /nfs/dbraw/zinc/97/01/11/357970111.db2.gz UNGWLTWTQGBFFT-QWRGUYRKSA-N 1 2 249.274 -0.711 20 0 BBADLO C[C@@]12C[NH+](Cc3c[nH]nn3)C[C@@]1(C)C(=O)NC2=O ZINC000639945306 357970109 /nfs/dbraw/zinc/97/01/09/357970109.db2.gz UNGWLTWTQGBFFT-QWRGUYRKSA-N 1 2 249.274 -0.711 20 0 BBADLO COC[C@](C)(CO)[NH2+]Cc1nnnn1C1CC1 ZINC000639949200 357972115 /nfs/dbraw/zinc/97/21/15/357972115.db2.gz JGLCEUFKDDOALB-JTQLQIEISA-N 1 2 241.295 -0.505 20 0 BBADLO COC[C@@](C)(CO)[NH2+]Cc1nnnn1C1CC1 ZINC000639949201 357972062 /nfs/dbraw/zinc/97/20/62/357972062.db2.gz JGLCEUFKDDOALB-SNVBAGLBSA-N 1 2 241.295 -0.505 20 0 BBADLO CCc1nnc(C[NH2+][C@@](C)(CO)COC)[nH]1 ZINC000639957878 357981913 /nfs/dbraw/zinc/98/19/13/357981913.db2.gz VLVCNYSDVQASBF-JTQLQIEISA-N 1 2 228.296 -0.146 20 0 BBADLO CCc1nnc(C[NH2+][C@](C)(CO)COC)[nH]1 ZINC000639957879 357982163 /nfs/dbraw/zinc/98/21/63/357982163.db2.gz VLVCNYSDVQASBF-SNVBAGLBSA-N 1 2 228.296 -0.146 20 0 BBADLO COC[C@](C)(CO)[NH2+]Cc1nc(N(C)C)no1 ZINC000639958123 357982804 /nfs/dbraw/zinc/98/28/04/357982804.db2.gz POWIIRHKIDUAJQ-JTQLQIEISA-N 1 2 244.295 -0.377 20 0 BBADLO COC[C@@](C)(CO)[NH2+]Cc1nc(N(C)C)no1 ZINC000639958124 357983089 /nfs/dbraw/zinc/98/30/89/357983089.db2.gz POWIIRHKIDUAJQ-SNVBAGLBSA-N 1 2 244.295 -0.377 20 0 BBADLO CNS(=O)(=O)CC[N@@H+](C)Cc1c[nH]nc1C ZINC000639971516 358029855 /nfs/dbraw/zinc/02/98/55/358029855.db2.gz FFKKHTXDTBSRTC-UHFFFAOYSA-N 1 2 246.336 -0.301 20 0 BBADLO CNS(=O)(=O)CC[N@H+](C)Cc1c[nH]nc1C ZINC000639971516 358029853 /nfs/dbraw/zinc/02/98/53/358029853.db2.gz FFKKHTXDTBSRTC-UHFFFAOYSA-N 1 2 246.336 -0.301 20 0 BBADLO CO[C@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@@](C)(CO)C1 ZINC000640002560 358036550 /nfs/dbraw/zinc/03/65/50/358036550.db2.gz YDTYGXUDUJMEPC-GMSGAONNSA-N 1 2 242.279 -0.518 20 0 BBADLO CO[C@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)[C@@](C)(CO)C1 ZINC000640002560 358036548 /nfs/dbraw/zinc/03/65/48/358036548.db2.gz YDTYGXUDUJMEPC-GMSGAONNSA-N 1 2 242.279 -0.518 20 0 BBADLO CO[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@@](C)(CO)C1 ZINC000640002561 358036897 /nfs/dbraw/zinc/03/68/97/358036897.db2.gz YDTYGXUDUJMEPC-OIBJUYFYSA-N 1 2 242.279 -0.518 20 0 BBADLO CO[C@@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)[C@@](C)(CO)C1 ZINC000640002561 358036895 /nfs/dbraw/zinc/03/68/95/358036895.db2.gz YDTYGXUDUJMEPC-OIBJUYFYSA-N 1 2 242.279 -0.518 20 0 BBADLO CO[C@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@](C)(CO)C1 ZINC000640002563 358036758 /nfs/dbraw/zinc/03/67/58/358036758.db2.gz YDTYGXUDUJMEPC-XCBNKYQSSA-N 1 2 242.279 -0.518 20 0 BBADLO CO[C@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)[C@](C)(CO)C1 ZINC000640002563 358036755 /nfs/dbraw/zinc/03/67/55/358036755.db2.gz YDTYGXUDUJMEPC-XCBNKYQSSA-N 1 2 242.279 -0.518 20 0 BBADLO CO[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@](C)(CO)C1 ZINC000640002565 358036447 /nfs/dbraw/zinc/03/64/47/358036447.db2.gz YDTYGXUDUJMEPC-XVKPBYJWSA-N 1 2 242.279 -0.518 20 0 BBADLO CO[C@@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)[C@](C)(CO)C1 ZINC000640002565 358036443 /nfs/dbraw/zinc/03/64/43/358036443.db2.gz YDTYGXUDUJMEPC-XVKPBYJWSA-N 1 2 242.279 -0.518 20 0 BBADLO CO[C@@H]1C[N@@H+](Cc2ncnn2C)[C@@](C)(CO)C1 ZINC000640003438 358047415 /nfs/dbraw/zinc/04/74/15/358047415.db2.gz ODMZHZKJKXPWQM-GXSJLCMTSA-N 1 2 240.307 -0.213 20 0 BBADLO CO[C@@H]1C[N@H+](Cc2ncnn2C)[C@@](C)(CO)C1 ZINC000640003438 358047411 /nfs/dbraw/zinc/04/74/11/358047411.db2.gz ODMZHZKJKXPWQM-GXSJLCMTSA-N 1 2 240.307 -0.213 20 0 BBADLO CO[C@H]1C[N@@H+](Cc2ncnn2C)[C@](C)(CO)C1 ZINC000640003442 358047549 /nfs/dbraw/zinc/04/75/49/358047549.db2.gz ODMZHZKJKXPWQM-KOLCDFICSA-N 1 2 240.307 -0.213 20 0 BBADLO CO[C@H]1C[N@H+](Cc2ncnn2C)[C@](C)(CO)C1 ZINC000640003442 358047547 /nfs/dbraw/zinc/04/75/47/358047547.db2.gz ODMZHZKJKXPWQM-KOLCDFICSA-N 1 2 240.307 -0.213 20 0 BBADLO CO[C@H]1C[N@@H+](Cc2ncnn2C)[C@@](C)(CO)C1 ZINC000640003446 358047535 /nfs/dbraw/zinc/04/75/35/358047535.db2.gz ODMZHZKJKXPWQM-MWLCHTKSSA-N 1 2 240.307 -0.213 20 0 BBADLO CO[C@H]1C[N@H+](Cc2ncnn2C)[C@@](C)(CO)C1 ZINC000640003446 358047533 /nfs/dbraw/zinc/04/75/33/358047533.db2.gz ODMZHZKJKXPWQM-MWLCHTKSSA-N 1 2 240.307 -0.213 20 0 BBADLO CO[C@@H]1C[N@@H+](Cc2ncnn2C)[C@](C)(CO)C1 ZINC000640003449 358047613 /nfs/dbraw/zinc/04/76/13/358047613.db2.gz ODMZHZKJKXPWQM-ONGXEEELSA-N 1 2 240.307 -0.213 20 0 BBADLO CO[C@@H]1C[N@H+](Cc2ncnn2C)[C@](C)(CO)C1 ZINC000640003449 358047612 /nfs/dbraw/zinc/04/76/12/358047612.db2.gz ODMZHZKJKXPWQM-ONGXEEELSA-N 1 2 240.307 -0.213 20 0 BBADLO CO[C@H]1C[N@@H+](CCc2cnn[nH]2)[C@@](C)(CO)C1 ZINC000640003670 358047498 /nfs/dbraw/zinc/04/74/98/358047498.db2.gz JUIIQDYSDPYBBI-GHMZBOCLSA-N 1 2 240.307 -0.181 20 0 BBADLO CO[C@H]1C[N@H+](CCc2cnn[nH]2)[C@@](C)(CO)C1 ZINC000640003670 358047495 /nfs/dbraw/zinc/04/74/95/358047495.db2.gz JUIIQDYSDPYBBI-GHMZBOCLSA-N 1 2 240.307 -0.181 20 0 BBADLO CO[C@H]1C[N@@H+](CCc2cnn[nH]2)[C@](C)(CO)C1 ZINC000640003673 358047576 /nfs/dbraw/zinc/04/75/76/358047576.db2.gz JUIIQDYSDPYBBI-MNOVXSKESA-N 1 2 240.307 -0.181 20 0 BBADLO CO[C@H]1C[N@H+](CCc2cnn[nH]2)[C@](C)(CO)C1 ZINC000640003673 358047574 /nfs/dbraw/zinc/04/75/74/358047574.db2.gz JUIIQDYSDPYBBI-MNOVXSKESA-N 1 2 240.307 -0.181 20 0 BBADLO CO[C@@H]1C[N@@H+](CCc2cnn[nH]2)[C@](C)(CO)C1 ZINC000640003675 358047625 /nfs/dbraw/zinc/04/76/25/358047625.db2.gz JUIIQDYSDPYBBI-QWRGUYRKSA-N 1 2 240.307 -0.181 20 0 BBADLO CO[C@@H]1C[N@H+](CCc2cnn[nH]2)[C@](C)(CO)C1 ZINC000640003675 358047624 /nfs/dbraw/zinc/04/76/24/358047624.db2.gz JUIIQDYSDPYBBI-QWRGUYRKSA-N 1 2 240.307 -0.181 20 0 BBADLO CO[C@@H]1C[N@@H+](CCc2cnn[nH]2)[C@@](C)(CO)C1 ZINC000640003680 358047358 /nfs/dbraw/zinc/04/73/58/358047358.db2.gz JUIIQDYSDPYBBI-WDEREUQCSA-N 1 2 240.307 -0.181 20 0 BBADLO CO[C@@H]1C[N@H+](CCc2cnn[nH]2)[C@@](C)(CO)C1 ZINC000640003680 358047356 /nfs/dbraw/zinc/04/73/56/358047356.db2.gz JUIIQDYSDPYBBI-WDEREUQCSA-N 1 2 240.307 -0.181 20 0 BBADLO CO[C@H]1C[N@@H+](Cc2nnnn2C)[C@@](C)(CO)C1 ZINC000640006913 358074052 /nfs/dbraw/zinc/07/40/52/358074052.db2.gz BPBKGKBSNPDEGT-PSASIEDQSA-N 1 2 241.295 -0.818 20 0 BBADLO CO[C@H]1C[N@H+](Cc2nnnn2C)[C@@](C)(CO)C1 ZINC000640006913 358074049 /nfs/dbraw/zinc/07/40/49/358074049.db2.gz BPBKGKBSNPDEGT-PSASIEDQSA-N 1 2 241.295 -0.818 20 0 BBADLO CO[C@H]1C[N@@H+](Cc2nnnn2C)[C@](C)(CO)C1 ZINC000640006914 358073657 /nfs/dbraw/zinc/07/36/57/358073657.db2.gz BPBKGKBSNPDEGT-SCZZXKLOSA-N 1 2 241.295 -0.818 20 0 BBADLO CO[C@H]1C[N@H+](Cc2nnnn2C)[C@](C)(CO)C1 ZINC000640006914 358073652 /nfs/dbraw/zinc/07/36/52/358073652.db2.gz BPBKGKBSNPDEGT-SCZZXKLOSA-N 1 2 241.295 -0.818 20 0 BBADLO CO[C@@H]1C[N@@H+](Cc2nnnn2C)[C@@](C)(CO)C1 ZINC000640006915 358073869 /nfs/dbraw/zinc/07/38/69/358073869.db2.gz BPBKGKBSNPDEGT-WCBMZHEXSA-N 1 2 241.295 -0.818 20 0 BBADLO CO[C@@H]1C[N@H+](Cc2nnnn2C)[C@@](C)(CO)C1 ZINC000640006915 358073865 /nfs/dbraw/zinc/07/38/65/358073865.db2.gz BPBKGKBSNPDEGT-WCBMZHEXSA-N 1 2 241.295 -0.818 20 0 BBADLO CO[C@@H]1C[N@@H+](Cc2nnnn2C)[C@](C)(CO)C1 ZINC000640006916 358073999 /nfs/dbraw/zinc/07/39/99/358073999.db2.gz BPBKGKBSNPDEGT-WPRPVWTQSA-N 1 2 241.295 -0.818 20 0 BBADLO CO[C@@H]1C[N@H+](Cc2nnnn2C)[C@](C)(CO)C1 ZINC000640006916 358073994 /nfs/dbraw/zinc/07/39/94/358073994.db2.gz BPBKGKBSNPDEGT-WPRPVWTQSA-N 1 2 241.295 -0.818 20 0 BBADLO CC[C@]1(O)CCC[N@@H+](Cc2nnnn2C)C1 ZINC000640033509 358126252 /nfs/dbraw/zinc/12/62/52/358126252.db2.gz SCTWUYLMBYHTOR-JTQLQIEISA-N 1 2 225.296 -0.053 20 0 BBADLO CC[C@]1(O)CCC[N@H+](Cc2nnnn2C)C1 ZINC000640033509 358126249 /nfs/dbraw/zinc/12/62/49/358126249.db2.gz SCTWUYLMBYHTOR-JTQLQIEISA-N 1 2 225.296 -0.053 20 0 BBADLO CC[C@@]1(O)CCC[N@@H+](Cc2nnnn2C)C1 ZINC000640033511 358125516 /nfs/dbraw/zinc/12/55/16/358125516.db2.gz SCTWUYLMBYHTOR-SNVBAGLBSA-N 1 2 225.296 -0.053 20 0 BBADLO CC[C@@]1(O)CCC[N@H+](Cc2nnnn2C)C1 ZINC000640033511 358125512 /nfs/dbraw/zinc/12/55/12/358125512.db2.gz SCTWUYLMBYHTOR-SNVBAGLBSA-N 1 2 225.296 -0.053 20 0 BBADLO NC(=O)C[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640041524 358138961 /nfs/dbraw/zinc/13/89/61/358138961.db2.gz ZITFRSUDKMVGOV-NTSWFWBYSA-N 1 2 226.198 -0.426 20 0 BBADLO NC(=O)C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640041524 358138958 /nfs/dbraw/zinc/13/89/58/358138958.db2.gz ZITFRSUDKMVGOV-NTSWFWBYSA-N 1 2 226.198 -0.426 20 0 BBADLO CC(=O)CN(C)CC(=O)N1CC[NH+](C)CC1 ZINC000640063484 358151918 /nfs/dbraw/zinc/15/19/18/358151918.db2.gz RBNBDARRLQRODR-UHFFFAOYSA-N 1 2 227.308 -0.719 20 0 BBADLO CNC(=O)NC[C@@H]1COCC[N@H+]1CCCF ZINC000640101487 358194245 /nfs/dbraw/zinc/19/42/45/358194245.db2.gz FQKGARKFADXXOM-SECBINFHSA-N 1 2 233.287 -0.024 20 0 BBADLO CNC(=O)NC[C@@H]1COCC[N@@H+]1CCCF ZINC000640101487 358194243 /nfs/dbraw/zinc/19/42/43/358194243.db2.gz FQKGARKFADXXOM-SECBINFHSA-N 1 2 233.287 -0.024 20 0 BBADLO CNC(=O)NC[C@H]1COCC[N@H+]1CCCF ZINC000640101490 358194098 /nfs/dbraw/zinc/19/40/98/358194098.db2.gz FQKGARKFADXXOM-VIFPVBQESA-N 1 2 233.287 -0.024 20 0 BBADLO CNC(=O)NC[C@H]1COCC[N@@H+]1CCCF ZINC000640101490 358194096 /nfs/dbraw/zinc/19/40/96/358194096.db2.gz FQKGARKFADXXOM-VIFPVBQESA-N 1 2 233.287 -0.024 20 0 BBADLO CNC(=O)NC[C@@H]1COCC[N@H+]1CCOC ZINC000640102622 358194847 /nfs/dbraw/zinc/19/48/47/358194847.db2.gz KHZISGGZKFBBOE-SECBINFHSA-N 1 2 231.296 -0.737 20 0 BBADLO CNC(=O)NC[C@@H]1COCC[N@@H+]1CCOC ZINC000640102622 358194845 /nfs/dbraw/zinc/19/48/45/358194845.db2.gz KHZISGGZKFBBOE-SECBINFHSA-N 1 2 231.296 -0.737 20 0 BBADLO CNC(=O)NC[C@H]1COCC[N@H+]1CCOC ZINC000640102623 358195696 /nfs/dbraw/zinc/19/56/96/358195696.db2.gz KHZISGGZKFBBOE-VIFPVBQESA-N 1 2 231.296 -0.737 20 0 BBADLO CNC(=O)NC[C@H]1COCC[N@@H+]1CCOC ZINC000640102623 358195693 /nfs/dbraw/zinc/19/56/93/358195693.db2.gz KHZISGGZKFBBOE-VIFPVBQESA-N 1 2 231.296 -0.737 20 0 BBADLO CC[C@@H](O)C[N@H+]1CCOC[C@H]1CNC(=O)NC ZINC000640103506 358195393 /nfs/dbraw/zinc/19/53/93/358195393.db2.gz SGWUUCJIGAQHAX-NXEZZACHSA-N 1 2 245.323 -0.613 20 0 BBADLO CC[C@@H](O)C[N@@H+]1CCOC[C@H]1CNC(=O)NC ZINC000640103506 358195388 /nfs/dbraw/zinc/19/53/88/358195388.db2.gz SGWUUCJIGAQHAX-NXEZZACHSA-N 1 2 245.323 -0.613 20 0 BBADLO CC[C@@H](O)C[N@H+]1CCOC[C@@H]1CNC(=O)NC ZINC000640103507 358195437 /nfs/dbraw/zinc/19/54/37/358195437.db2.gz SGWUUCJIGAQHAX-VHSXEESVSA-N 1 2 245.323 -0.613 20 0 BBADLO CC[C@@H](O)C[N@@H+]1CCOC[C@@H]1CNC(=O)NC ZINC000640103507 358195434 /nfs/dbraw/zinc/19/54/34/358195434.db2.gz SGWUUCJIGAQHAX-VHSXEESVSA-N 1 2 245.323 -0.613 20 0 BBADLO CNC(=O)NC[C@@H]1COCC[N@H+]1C[C@@H](C)CO ZINC000640104519 358194943 /nfs/dbraw/zinc/19/49/43/358194943.db2.gz FWXAFXQTXKOYAA-NXEZZACHSA-N 1 2 245.323 -0.755 20 0 BBADLO CNC(=O)NC[C@@H]1COCC[N@@H+]1C[C@@H](C)CO ZINC000640104519 358194939 /nfs/dbraw/zinc/19/49/39/358194939.db2.gz FWXAFXQTXKOYAA-NXEZZACHSA-N 1 2 245.323 -0.755 20 0 BBADLO CNC(=O)NC[C@H]1COCC[N@H+]1C[C@H](C)CO ZINC000640104520 358195007 /nfs/dbraw/zinc/19/50/07/358195007.db2.gz FWXAFXQTXKOYAA-UWVGGRQHSA-N 1 2 245.323 -0.755 20 0 BBADLO CNC(=O)NC[C@H]1COCC[N@@H+]1C[C@H](C)CO ZINC000640104520 358195002 /nfs/dbraw/zinc/19/50/02/358195002.db2.gz FWXAFXQTXKOYAA-UWVGGRQHSA-N 1 2 245.323 -0.755 20 0 BBADLO CNC(=O)NC[C@@H]1COCC[N@H+]1C[C@H](C)CO ZINC000640104521 358195553 /nfs/dbraw/zinc/19/55/53/358195553.db2.gz FWXAFXQTXKOYAA-VHSXEESVSA-N 1 2 245.323 -0.755 20 0 BBADLO CNC(=O)NC[C@@H]1COCC[N@@H+]1C[C@H](C)CO ZINC000640104521 358195549 /nfs/dbraw/zinc/19/55/49/358195549.db2.gz FWXAFXQTXKOYAA-VHSXEESVSA-N 1 2 245.323 -0.755 20 0 BBADLO CNC(=O)NC[C@H]1COCC[N@H+]1C[C@@H](C)CO ZINC000640104522 358195148 /nfs/dbraw/zinc/19/51/48/358195148.db2.gz FWXAFXQTXKOYAA-ZJUUUORDSA-N 1 2 245.323 -0.755 20 0 BBADLO CNC(=O)NC[C@H]1COCC[N@@H+]1C[C@@H](C)CO ZINC000640104522 358195144 /nfs/dbraw/zinc/19/51/44/358195144.db2.gz FWXAFXQTXKOYAA-ZJUUUORDSA-N 1 2 245.323 -0.755 20 0 BBADLO CNC(=O)NC[C@@H]1COCC[N@H+]1CC[C@@H](C)O ZINC000640104923 358195645 /nfs/dbraw/zinc/19/56/45/358195645.db2.gz OZWGOIKKNXFKDZ-NXEZZACHSA-N 1 2 245.323 -0.613 20 0 BBADLO CNC(=O)NC[C@@H]1COCC[N@@H+]1CC[C@@H](C)O ZINC000640104923 358195641 /nfs/dbraw/zinc/19/56/41/358195641.db2.gz OZWGOIKKNXFKDZ-NXEZZACHSA-N 1 2 245.323 -0.613 20 0 BBADLO CNC(=O)NC[C@H]1COCC[N@H+]1CC[C@H](C)O ZINC000640104924 358195486 /nfs/dbraw/zinc/19/54/86/358195486.db2.gz OZWGOIKKNXFKDZ-UWVGGRQHSA-N 1 2 245.323 -0.613 20 0 BBADLO CNC(=O)NC[C@H]1COCC[N@@H+]1CC[C@H](C)O ZINC000640104924 358195482 /nfs/dbraw/zinc/19/54/82/358195482.db2.gz OZWGOIKKNXFKDZ-UWVGGRQHSA-N 1 2 245.323 -0.613 20 0 BBADLO CNC(=O)NC[C@@H]1COCC[N@H+]1CC[C@H](C)O ZINC000640104925 358194951 /nfs/dbraw/zinc/19/49/51/358194951.db2.gz OZWGOIKKNXFKDZ-VHSXEESVSA-N 1 2 245.323 -0.613 20 0 BBADLO CNC(=O)NC[C@@H]1COCC[N@@H+]1CC[C@H](C)O ZINC000640104925 358194950 /nfs/dbraw/zinc/19/49/50/358194950.db2.gz OZWGOIKKNXFKDZ-VHSXEESVSA-N 1 2 245.323 -0.613 20 0 BBADLO CNC(=O)NC[C@H]1COCC[N@H+]1CC[C@@H](C)O ZINC000640104926 358195115 /nfs/dbraw/zinc/19/51/15/358195115.db2.gz OZWGOIKKNXFKDZ-ZJUUUORDSA-N 1 2 245.323 -0.613 20 0 BBADLO CNC(=O)NC[C@H]1COCC[N@@H+]1CC[C@@H](C)O ZINC000640104926 358195112 /nfs/dbraw/zinc/19/51/12/358195112.db2.gz OZWGOIKKNXFKDZ-ZJUUUORDSA-N 1 2 245.323 -0.613 20 0 BBADLO CC[C@H](O)C[N@H+]1CCOC[C@@H]1CNC(=O)NC ZINC000640105133 358196365 /nfs/dbraw/zinc/19/63/65/358196365.db2.gz SGWUUCJIGAQHAX-UWVGGRQHSA-N 1 2 245.323 -0.613 20 0 BBADLO CC[C@H](O)C[N@@H+]1CCOC[C@@H]1CNC(=O)NC ZINC000640105133 358196362 /nfs/dbraw/zinc/19/63/62/358196362.db2.gz SGWUUCJIGAQHAX-UWVGGRQHSA-N 1 2 245.323 -0.613 20 0 BBADLO CC[C@H](O)C[N@H+]1CCOC[C@H]1CNC(=O)NC ZINC000640105136 358196294 /nfs/dbraw/zinc/19/62/94/358196294.db2.gz SGWUUCJIGAQHAX-ZJUUUORDSA-N 1 2 245.323 -0.613 20 0 BBADLO CC[C@H](O)C[N@@H+]1CCOC[C@H]1CNC(=O)NC ZINC000640105136 358196291 /nfs/dbraw/zinc/19/62/91/358196291.db2.gz SGWUUCJIGAQHAX-ZJUUUORDSA-N 1 2 245.323 -0.613 20 0 BBADLO CNC(=O)NC[C@@H]1COCC[N@H+]1C[C@@H](C)OC ZINC000640105808 398071362 /nfs/dbraw/zinc/07/13/62/398071362.db2.gz ZKRQXANMKGFSDP-NXEZZACHSA-N 1 2 245.323 -0.349 20 0 BBADLO CNC(=O)NC[C@@H]1COCC[N@@H+]1C[C@@H](C)OC ZINC000640105808 398071359 /nfs/dbraw/zinc/07/13/59/398071359.db2.gz ZKRQXANMKGFSDP-NXEZZACHSA-N 1 2 245.323 -0.349 20 0 BBADLO CNC(=O)NC[C@H]1COCC[N@H+]1C[C@H](C)OC ZINC000640105812 398071460 /nfs/dbraw/zinc/07/14/60/398071460.db2.gz ZKRQXANMKGFSDP-UWVGGRQHSA-N 1 2 245.323 -0.349 20 0 BBADLO CNC(=O)NC[C@H]1COCC[N@@H+]1C[C@H](C)OC ZINC000640105812 398071458 /nfs/dbraw/zinc/07/14/58/398071458.db2.gz ZKRQXANMKGFSDP-UWVGGRQHSA-N 1 2 245.323 -0.349 20 0 BBADLO CNC(=O)NC[C@@H]1COCC[N@H+]1C[C@H](C)OC ZINC000640105814 398071721 /nfs/dbraw/zinc/07/17/21/398071721.db2.gz ZKRQXANMKGFSDP-VHSXEESVSA-N 1 2 245.323 -0.349 20 0 BBADLO CNC(=O)NC[C@@H]1COCC[N@@H+]1C[C@H](C)OC ZINC000640105814 398071719 /nfs/dbraw/zinc/07/17/19/398071719.db2.gz ZKRQXANMKGFSDP-VHSXEESVSA-N 1 2 245.323 -0.349 20 0 BBADLO CNC(=O)NC[C@H]1COCC[N@H+]1C[C@@H](C)OC ZINC000640105815 398071421 /nfs/dbraw/zinc/07/14/21/398071421.db2.gz ZKRQXANMKGFSDP-ZJUUUORDSA-N 1 2 245.323 -0.349 20 0 BBADLO CNC(=O)NC[C@H]1COCC[N@@H+]1C[C@@H](C)OC ZINC000640105815 398071416 /nfs/dbraw/zinc/07/14/16/398071416.db2.gz ZKRQXANMKGFSDP-ZJUUUORDSA-N 1 2 245.323 -0.349 20 0 BBADLO CC[N@H+]1CCOC[C@H]1CNC(=O)NC ZINC000640118318 358198834 /nfs/dbraw/zinc/19/88/34/358198834.db2.gz BXCPJHSWFYYHEX-MRVPVSSYSA-N 1 2 201.270 -0.364 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)NC ZINC000640118318 358198831 /nfs/dbraw/zinc/19/88/31/358198831.db2.gz BXCPJHSWFYYHEX-MRVPVSSYSA-N 1 2 201.270 -0.364 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)NC ZINC000640118319 358198907 /nfs/dbraw/zinc/19/89/07/358198907.db2.gz BXCPJHSWFYYHEX-QMMMGPOBSA-N 1 2 201.270 -0.364 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)NC ZINC000640118319 358198904 /nfs/dbraw/zinc/19/89/04/358198904.db2.gz BXCPJHSWFYYHEX-QMMMGPOBSA-N 1 2 201.270 -0.364 20 0 BBADLO CNC(=O)NC[C@H]1COCC[N@H+]1CCCCO ZINC000640118847 358198714 /nfs/dbraw/zinc/19/87/14/358198714.db2.gz COGJXJORICIZQU-JTQLQIEISA-N 1 2 245.323 -0.611 20 0 BBADLO CNC(=O)NC[C@H]1COCC[N@@H+]1CCCCO ZINC000640118847 358198711 /nfs/dbraw/zinc/19/87/11/358198711.db2.gz COGJXJORICIZQU-JTQLQIEISA-N 1 2 245.323 -0.611 20 0 BBADLO CNC(=O)NC[C@@H]1COCC[N@H+]1CCCCO ZINC000640118849 358199234 /nfs/dbraw/zinc/19/92/34/358199234.db2.gz COGJXJORICIZQU-SNVBAGLBSA-N 1 2 245.323 -0.611 20 0 BBADLO CNC(=O)NC[C@@H]1COCC[N@@H+]1CCCCO ZINC000640118849 358199231 /nfs/dbraw/zinc/19/92/31/358199231.db2.gz COGJXJORICIZQU-SNVBAGLBSA-N 1 2 245.323 -0.611 20 0 BBADLO CCOCC[N@H+]1CCOC[C@@H]1CNC(=O)NC ZINC000640123312 358202696 /nfs/dbraw/zinc/20/26/96/358202696.db2.gz LYKVQVQXMRSZIB-JTQLQIEISA-N 1 2 245.323 -0.347 20 0 BBADLO CCOCC[N@@H+]1CCOC[C@@H]1CNC(=O)NC ZINC000640123312 358202693 /nfs/dbraw/zinc/20/26/93/358202693.db2.gz LYKVQVQXMRSZIB-JTQLQIEISA-N 1 2 245.323 -0.347 20 0 BBADLO CCOCC[N@H+]1CCOC[C@H]1CNC(=O)NC ZINC000640123313 358202519 /nfs/dbraw/zinc/20/25/19/358202519.db2.gz LYKVQVQXMRSZIB-SNVBAGLBSA-N 1 2 245.323 -0.347 20 0 BBADLO CCOCC[N@@H+]1CCOC[C@H]1CNC(=O)NC ZINC000640123313 358202514 /nfs/dbraw/zinc/20/25/14/358202514.db2.gz LYKVQVQXMRSZIB-SNVBAGLBSA-N 1 2 245.323 -0.347 20 0 BBADLO CNC(=O)NC[C@H]1COCC[N@H+]1CCCOC ZINC000640127417 358205605 /nfs/dbraw/zinc/20/56/05/358205605.db2.gz YETZRBRNDCFHII-JTQLQIEISA-N 1 2 245.323 -0.347 20 0 BBADLO CNC(=O)NC[C@H]1COCC[N@@H+]1CCCOC ZINC000640127417 358205601 /nfs/dbraw/zinc/20/56/01/358205601.db2.gz YETZRBRNDCFHII-JTQLQIEISA-N 1 2 245.323 -0.347 20 0 BBADLO CNC(=O)NC[C@@H]1COCC[N@H+]1CCCOC ZINC000640127418 358205492 /nfs/dbraw/zinc/20/54/92/358205492.db2.gz YETZRBRNDCFHII-SNVBAGLBSA-N 1 2 245.323 -0.347 20 0 BBADLO CNC(=O)NC[C@@H]1COCC[N@@H+]1CCCOC ZINC000640127418 358205488 /nfs/dbraw/zinc/20/54/88/358205488.db2.gz YETZRBRNDCFHII-SNVBAGLBSA-N 1 2 245.323 -0.347 20 0 BBADLO Cc1nc(NC(=O)N(C)Cc2[nH]cc[nH+]2)nn1C ZINC000640144909 411771034 /nfs/dbraw/zinc/77/10/34/411771034.db2.gz JWXMWRNYOUHSPF-UHFFFAOYSA-N 1 2 249.278 0.511 20 0 BBADLO Cn1cnc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)n1 ZINC000640151371 412157127 /nfs/dbraw/zinc/15/71/27/412157127.db2.gz LQWWEASYYBJOFK-SSDOTTSWSA-N 1 2 247.262 -0.242 20 0 BBADLO Cn1cnc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)n1 ZINC000640151372 412156230 /nfs/dbraw/zinc/15/62/30/412156230.db2.gz LQWWEASYYBJOFK-ZETCQYMHSA-N 1 2 247.262 -0.242 20 0 BBADLO CN(Cc1[nH]cc[nH+]1)C(=O)Nc1ncn(C)n1 ZINC000640151781 412233404 /nfs/dbraw/zinc/23/34/04/412233404.db2.gz PZPGZQSGRIEBBW-UHFFFAOYSA-N 1 2 235.251 0.202 20 0 BBADLO C[C@@H](C(=O)N(C)Cc1n[nH]c(=O)o1)[NH+](C)C ZINC000640421684 361212666 /nfs/dbraw/zinc/21/26/66/361212666.db2.gz PMFPCHSRIRAFAJ-LURJTMIESA-N 1 2 228.252 -0.316 20 0 BBADLO C[C@H](C(=O)N(C)Cc1n[nH]c(=O)o1)[NH+](C)C ZINC000640421685 361212363 /nfs/dbraw/zinc/21/23/63/361212363.db2.gz PMFPCHSRIRAFAJ-ZCFIWIBFSA-N 1 2 228.252 -0.316 20 0 BBADLO C[C@H](C(=O)N[C@H]1CS(=O)(=O)C1(C)C)[NH+](C)C ZINC000640455005 361229639 /nfs/dbraw/zinc/22/96/39/361229639.db2.gz WLUOLBHIZJSYKC-SFYZADRCSA-N 1 2 248.348 -0.372 20 0 BBADLO C[C@@H](C(=O)N[C@H]1CS(=O)(=O)C1(C)C)[NH+](C)C ZINC000640455006 361229782 /nfs/dbraw/zinc/22/97/82/361229782.db2.gz WLUOLBHIZJSYKC-YUMQZZPRSA-N 1 2 248.348 -0.372 20 0 BBADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1nnnn1C1CC1)C2 ZINC000640473908 361244220 /nfs/dbraw/zinc/24/42/20/361244220.db2.gz LPXKWCWMILXBGB-GMSGAONNSA-N 1 2 221.264 -0.425 20 0 BBADLO O[C@@]12C[C@@H]1C[N@H+](Cc1nnnn1C1CC1)C2 ZINC000640473908 361244217 /nfs/dbraw/zinc/24/42/17/361244217.db2.gz LPXKWCWMILXBGB-GMSGAONNSA-N 1 2 221.264 -0.425 20 0 BBADLO O[C@]12C[C@H]1C[N@@H+](Cc1nnnn1C1CC1)C2 ZINC000640473911 361244006 /nfs/dbraw/zinc/24/40/06/361244006.db2.gz LPXKWCWMILXBGB-XVKPBYJWSA-N 1 2 221.264 -0.425 20 0 BBADLO O[C@]12C[C@H]1C[N@H+](Cc1nnnn1C1CC1)C2 ZINC000640473911 361244000 /nfs/dbraw/zinc/24/40/00/361244000.db2.gz LPXKWCWMILXBGB-XVKPBYJWSA-N 1 2 221.264 -0.425 20 0 BBADLO Cc1cc(NC(=O)C[N@H+]2C[C@@H]3C[C@]3(O)C2)no1 ZINC000640475372 412354393 /nfs/dbraw/zinc/35/43/93/412354393.db2.gz DOLJRNRSZLPUEE-KWQFWETISA-N 1 2 237.259 -0.012 20 0 BBADLO Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3C[C@]3(O)C2)no1 ZINC000640475372 412354388 /nfs/dbraw/zinc/35/43/88/412354388.db2.gz DOLJRNRSZLPUEE-KWQFWETISA-N 1 2 237.259 -0.012 20 0 BBADLO Cc1cc(NC(=O)C[N@H+]2C[C@H]3C[C@@]3(O)C2)no1 ZINC000640475373 412353455 /nfs/dbraw/zinc/35/34/55/412353455.db2.gz DOLJRNRSZLPUEE-LDYMZIIASA-N 1 2 237.259 -0.012 20 0 BBADLO Cc1cc(NC(=O)C[N@@H+]2C[C@H]3C[C@@]3(O)C2)no1 ZINC000640475373 412353453 /nfs/dbraw/zinc/35/34/53/412353453.db2.gz DOLJRNRSZLPUEE-LDYMZIIASA-N 1 2 237.259 -0.012 20 0 BBADLO O=C(C[N@@H+]1C[C@H]2C[C@@]2(O)C1)NCC(F)(F)F ZINC000640476596 361250323 /nfs/dbraw/zinc/25/03/23/361250323.db2.gz JUUIEBXTKPCUAN-HTRCEHHLSA-N 1 2 238.209 -0.269 20 0 BBADLO O=C(C[N@H+]1C[C@H]2C[C@@]2(O)C1)NCC(F)(F)F ZINC000640476596 361250322 /nfs/dbraw/zinc/25/03/22/361250322.db2.gz JUUIEBXTKPCUAN-HTRCEHHLSA-N 1 2 238.209 -0.269 20 0 BBADLO O=C(C[N@@H+]1C[C@@H]2C[C@]2(O)C1)NCC(F)(F)F ZINC000640476599 361251505 /nfs/dbraw/zinc/25/15/05/361251505.db2.gz JUUIEBXTKPCUAN-XPUUQOCRSA-N 1 2 238.209 -0.269 20 0 BBADLO O=C(C[N@H+]1C[C@@H]2C[C@]2(O)C1)NCC(F)(F)F ZINC000640476599 361251502 /nfs/dbraw/zinc/25/15/02/361251502.db2.gz JUUIEBXTKPCUAN-XPUUQOCRSA-N 1 2 238.209 -0.269 20 0 BBADLO Cc1cc(NC(=O)C[N@H+]2C[C@@H]3C[C@]3(O)C2)on1 ZINC000640476642 361251656 /nfs/dbraw/zinc/25/16/56/361251656.db2.gz KLLXQIVCVVWPEC-KWQFWETISA-N 1 2 237.259 -0.012 20 0 BBADLO Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3C[C@]3(O)C2)on1 ZINC000640476642 361251651 /nfs/dbraw/zinc/25/16/51/361251651.db2.gz KLLXQIVCVVWPEC-KWQFWETISA-N 1 2 237.259 -0.012 20 0 BBADLO Cc1cc(NC(=O)C[N@H+]2C[C@H]3C[C@@]3(O)C2)on1 ZINC000640476643 361251427 /nfs/dbraw/zinc/25/14/27/361251427.db2.gz KLLXQIVCVVWPEC-LDYMZIIASA-N 1 2 237.259 -0.012 20 0 BBADLO Cc1cc(NC(=O)C[N@@H+]2C[C@H]3C[C@@]3(O)C2)on1 ZINC000640476643 361251419 /nfs/dbraw/zinc/25/14/19/361251419.db2.gz KLLXQIVCVVWPEC-LDYMZIIASA-N 1 2 237.259 -0.012 20 0 BBADLO C[C@H](C(=O)Nc1ncccn1)[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640477344 361252185 /nfs/dbraw/zinc/25/21/85/361252185.db2.gz BOYKGUAOZNZDGH-KBVBSXBZSA-N 1 2 248.286 -0.130 20 0 BBADLO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640477344 361252182 /nfs/dbraw/zinc/25/21/82/361252182.db2.gz BOYKGUAOZNZDGH-KBVBSXBZSA-N 1 2 248.286 -0.130 20 0 BBADLO C[C@H](C(=O)Nc1ncccn1)[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640477546 361252644 /nfs/dbraw/zinc/25/26/44/361252644.db2.gz BOYKGUAOZNZDGH-PTRXPTGYSA-N 1 2 248.286 -0.130 20 0 BBADLO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640477546 361252640 /nfs/dbraw/zinc/25/26/40/361252640.db2.gz BOYKGUAOZNZDGH-PTRXPTGYSA-N 1 2 248.286 -0.130 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640477975 361253375 /nfs/dbraw/zinc/25/33/75/361253375.db2.gz AFPUSRAAUSEELU-FJXKBIBVSA-N 1 2 209.253 -0.662 20 0 BBADLO C[C@H](c1nnnn1C)[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640477975 361253373 /nfs/dbraw/zinc/25/33/73/361253373.db2.gz AFPUSRAAUSEELU-FJXKBIBVSA-N 1 2 209.253 -0.662 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640477976 361253385 /nfs/dbraw/zinc/25/33/85/361253385.db2.gz AFPUSRAAUSEELU-ZXFLCMHBSA-N 1 2 209.253 -0.662 20 0 BBADLO C[C@H](c1nnnn1C)[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640477976 361253382 /nfs/dbraw/zinc/25/33/82/361253382.db2.gz AFPUSRAAUSEELU-ZXFLCMHBSA-N 1 2 209.253 -0.662 20 0 BBADLO O=C(C[N@@H+]1C[C@H]2C[C@@]2(O)C1)Nc1ccon1 ZINC000640480374 412314725 /nfs/dbraw/zinc/31/47/25/412314725.db2.gz VCUDZJVHXRNDAQ-GMSGAONNSA-N 1 2 223.232 -0.320 20 0 BBADLO O=C(C[N@H+]1C[C@H]2C[C@@]2(O)C1)Nc1ccon1 ZINC000640480374 412314723 /nfs/dbraw/zinc/31/47/23/412314723.db2.gz VCUDZJVHXRNDAQ-GMSGAONNSA-N 1 2 223.232 -0.320 20 0 BBADLO O=C(C[N@@H+]1C[C@@H]2C[C@]2(O)C1)Nc1ccon1 ZINC000640480382 412314048 /nfs/dbraw/zinc/31/40/48/412314048.db2.gz VCUDZJVHXRNDAQ-XVKPBYJWSA-N 1 2 223.232 -0.320 20 0 BBADLO O=C(C[N@H+]1C[C@@H]2C[C@]2(O)C1)Nc1ccon1 ZINC000640480382 412314045 /nfs/dbraw/zinc/31/40/45/412314045.db2.gz VCUDZJVHXRNDAQ-XVKPBYJWSA-N 1 2 223.232 -0.320 20 0 BBADLO Nc1ccnc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640482171 411967184 /nfs/dbraw/zinc/96/71/84/411967184.db2.gz PXVPERLISNTHQR-GMSGAONNSA-N 1 2 206.249 -0.375 20 0 BBADLO Nc1ccnc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640482171 411967177 /nfs/dbraw/zinc/96/71/77/411967177.db2.gz PXVPERLISNTHQR-GMSGAONNSA-N 1 2 206.249 -0.375 20 0 BBADLO Nc1ccnc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640482174 411284693 /nfs/dbraw/zinc/28/46/93/411284693.db2.gz PXVPERLISNTHQR-XVKPBYJWSA-N 1 2 206.249 -0.375 20 0 BBADLO Nc1ccnc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640482174 411284690 /nfs/dbraw/zinc/28/46/90/411284690.db2.gz PXVPERLISNTHQR-XVKPBYJWSA-N 1 2 206.249 -0.375 20 0 BBADLO CCc1nnc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)[nH]1 ZINC000640483028 411306620 /nfs/dbraw/zinc/30/66/20/411306620.db2.gz URVXDBYATOCRGF-GMSGAONNSA-N 1 2 208.265 -0.066 20 0 BBADLO CCc1nnc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)[nH]1 ZINC000640483028 411306618 /nfs/dbraw/zinc/30/66/18/411306618.db2.gz URVXDBYATOCRGF-GMSGAONNSA-N 1 2 208.265 -0.066 20 0 BBADLO CCc1nnc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)[nH]1 ZINC000640483031 411306609 /nfs/dbraw/zinc/30/66/09/411306609.db2.gz URVXDBYATOCRGF-XVKPBYJWSA-N 1 2 208.265 -0.066 20 0 BBADLO CCc1nnc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)[nH]1 ZINC000640483031 411306607 /nfs/dbraw/zinc/30/66/07/411306607.db2.gz URVXDBYATOCRGF-XVKPBYJWSA-N 1 2 208.265 -0.066 20 0 BBADLO CN(C)c1noc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640483136 411306569 /nfs/dbraw/zinc/30/65/69/411306569.db2.gz VLGLZZKNFIAYEI-GMSGAONNSA-N 1 2 224.264 -0.298 20 0 BBADLO CN(C)c1noc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640483136 411306566 /nfs/dbraw/zinc/30/65/66/411306566.db2.gz VLGLZZKNFIAYEI-GMSGAONNSA-N 1 2 224.264 -0.298 20 0 BBADLO CN(C)c1noc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640483139 411306640 /nfs/dbraw/zinc/30/66/40/411306640.db2.gz VLGLZZKNFIAYEI-XVKPBYJWSA-N 1 2 224.264 -0.298 20 0 BBADLO CN(C)c1noc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640483139 411306636 /nfs/dbraw/zinc/30/66/36/411306636.db2.gz VLGLZZKNFIAYEI-XVKPBYJWSA-N 1 2 224.264 -0.298 20 0 BBADLO CC(C)(C)n1nnnc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640483952 361274316 /nfs/dbraw/zinc/27/43/16/361274316.db2.gz YKSJACUPKWVSKO-KWQFWETISA-N 1 2 237.307 -0.005 20 0 BBADLO CC(C)(C)n1nnnc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640483952 361274311 /nfs/dbraw/zinc/27/43/11/361274311.db2.gz YKSJACUPKWVSKO-KWQFWETISA-N 1 2 237.307 -0.005 20 0 BBADLO CC(C)(C)n1nnnc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640483953 361274071 /nfs/dbraw/zinc/27/40/71/361274071.db2.gz YKSJACUPKWVSKO-LDYMZIIASA-N 1 2 237.307 -0.005 20 0 BBADLO CC(C)(C)n1nnnc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640483953 361274067 /nfs/dbraw/zinc/27/40/67/361274067.db2.gz YKSJACUPKWVSKO-LDYMZIIASA-N 1 2 237.307 -0.005 20 0 BBADLO O=C(C[N@@H+]1C[C@@H]2C[C@]2(O)C1)Nc1cnccn1 ZINC000640486966 361273276 /nfs/dbraw/zinc/27/32/76/361273276.db2.gz PAESXHKTHPFOKP-KWQFWETISA-N 1 2 234.259 -0.518 20 0 BBADLO O=C(C[N@H+]1C[C@@H]2C[C@]2(O)C1)Nc1cnccn1 ZINC000640486966 361273273 /nfs/dbraw/zinc/27/32/73/361273273.db2.gz PAESXHKTHPFOKP-KWQFWETISA-N 1 2 234.259 -0.518 20 0 BBADLO O=C(C[N@@H+]1C[C@H]2C[C@@]2(O)C1)Nc1cnccn1 ZINC000640486967 361273318 /nfs/dbraw/zinc/27/33/18/361273318.db2.gz PAESXHKTHPFOKP-LDYMZIIASA-N 1 2 234.259 -0.518 20 0 BBADLO O=C(C[N@H+]1C[C@H]2C[C@@]2(O)C1)Nc1cnccn1 ZINC000640486967 361273313 /nfs/dbraw/zinc/27/33/13/361273313.db2.gz PAESXHKTHPFOKP-LDYMZIIASA-N 1 2 234.259 -0.518 20 0 BBADLO CCn1ncnc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640487807 361279611 /nfs/dbraw/zinc/27/96/11/361279611.db2.gz SFAZWXLUVVLPPY-PSASIEDQSA-N 1 2 208.265 -0.135 20 0 BBADLO CCn1ncnc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640487807 361279606 /nfs/dbraw/zinc/27/96/06/361279606.db2.gz SFAZWXLUVVLPPY-PSASIEDQSA-N 1 2 208.265 -0.135 20 0 BBADLO CCn1ncnc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640487810 361279858 /nfs/dbraw/zinc/27/98/58/361279858.db2.gz SFAZWXLUVVLPPY-WPRPVWTQSA-N 1 2 208.265 -0.135 20 0 BBADLO CCn1ncnc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640487810 361279854 /nfs/dbraw/zinc/27/98/54/361279854.db2.gz SFAZWXLUVVLPPY-WPRPVWTQSA-N 1 2 208.265 -0.135 20 0 BBADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1ncnn1CCF)C2 ZINC000640489387 361282622 /nfs/dbraw/zinc/28/26/22/361282622.db2.gz XNPRSHJHPGUJOZ-PSASIEDQSA-N 1 2 226.255 -0.186 20 0 BBADLO O[C@@]12C[C@@H]1C[N@H+](Cc1ncnn1CCF)C2 ZINC000640489387 361282617 /nfs/dbraw/zinc/28/26/17/361282617.db2.gz XNPRSHJHPGUJOZ-PSASIEDQSA-N 1 2 226.255 -0.186 20 0 BBADLO O[C@]12C[C@H]1C[N@@H+](Cc1ncnn1CCF)C2 ZINC000640489390 361282463 /nfs/dbraw/zinc/28/24/63/361282463.db2.gz XNPRSHJHPGUJOZ-WPRPVWTQSA-N 1 2 226.255 -0.186 20 0 BBADLO O[C@]12C[C@H]1C[N@H+](Cc1ncnn1CCF)C2 ZINC000640489390 361282459 /nfs/dbraw/zinc/28/24/59/361282459.db2.gz XNPRSHJHPGUJOZ-WPRPVWTQSA-N 1 2 226.255 -0.186 20 0 BBADLO CCOCCn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000640752279 361994355 /nfs/dbraw/zinc/99/43/55/361994355.db2.gz HKFGFHSPLMAANJ-JTQLQIEISA-N 1 2 226.280 -0.025 20 0 BBADLO CCOCCn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000640752280 361994732 /nfs/dbraw/zinc/99/47/32/361994732.db2.gz HKFGFHSPLMAANJ-SNVBAGLBSA-N 1 2 226.280 -0.025 20 0 BBADLO CC(=O)Cn1cc(C[N@H+]2CCC[C@@H]2CO)nn1 ZINC000640753444 361989912 /nfs/dbraw/zinc/98/99/12/361989912.db2.gz FISOGEWGNVEZNG-LLVKDONJSA-N 1 2 238.291 -0.176 20 0 BBADLO CC(=O)Cn1cc(C[N@@H+]2CCC[C@@H]2CO)nn1 ZINC000640753444 361989906 /nfs/dbraw/zinc/98/99/06/361989906.db2.gz FISOGEWGNVEZNG-LLVKDONJSA-N 1 2 238.291 -0.176 20 0 BBADLO CC(=O)Cn1cc(C[N@H+]2CCC[C@H]2CO)nn1 ZINC000640753445 361990075 /nfs/dbraw/zinc/99/00/75/361990075.db2.gz FISOGEWGNVEZNG-NSHDSACASA-N 1 2 238.291 -0.176 20 0 BBADLO CC(=O)Cn1cc(C[N@@H+]2CCC[C@H]2CO)nn1 ZINC000640753445 361990071 /nfs/dbraw/zinc/99/00/71/361990071.db2.gz FISOGEWGNVEZNG-NSHDSACASA-N 1 2 238.291 -0.176 20 0 BBADLO CC(=O)Cn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000640753622 361991236 /nfs/dbraw/zinc/99/12/36/361991236.db2.gz HNERTJLAUVDONP-UHFFFAOYSA-N 1 2 237.307 -0.386 20 0 BBADLO CCOCCn1cc(C[N@@H+](C)CCO)nn1 ZINC000640755139 361993607 /nfs/dbraw/zinc/99/36/07/361993607.db2.gz TWUXUCMRHOTLNX-UHFFFAOYSA-N 1 2 228.296 -0.261 20 0 BBADLO CCOCCn1cc(C[N@H+](C)CCO)nn1 ZINC000640755139 361993605 /nfs/dbraw/zinc/99/36/05/361993605.db2.gz TWUXUCMRHOTLNX-UHFFFAOYSA-N 1 2 228.296 -0.261 20 0 BBADLO COCCCn1cc(C[N@@H+](C)CCO)nn1 ZINC000641026625 362139115 /nfs/dbraw/zinc/13/91/15/362139115.db2.gz YSVJPEULEWAIQY-UHFFFAOYSA-N 1 2 228.296 -0.261 20 0 BBADLO COCCCn1cc(C[N@H+](C)CCO)nn1 ZINC000641026625 362139114 /nfs/dbraw/zinc/13/91/14/362139114.db2.gz YSVJPEULEWAIQY-UHFFFAOYSA-N 1 2 228.296 -0.261 20 0 BBADLO O=c1[nH]nc(Cn2cc(C[NH+]3CCCC3)nn2)[nH]1 ZINC000641039960 362151470 /nfs/dbraw/zinc/15/14/70/362151470.db2.gz WYOPEEVTPDXNMS-UHFFFAOYSA-N 1 2 249.278 -0.254 20 0 BBADLO C[N@@H+](CCO)Cc1cn(CCC(C)(C)O)nn1 ZINC000641076509 362186029 /nfs/dbraw/zinc/18/60/29/362186029.db2.gz GOMMXVLYCVWTCU-UHFFFAOYSA-N 1 2 242.323 -0.137 20 0 BBADLO C[N@H+](CCO)Cc1cn(CCC(C)(C)O)nn1 ZINC000641076509 362186023 /nfs/dbraw/zinc/18/60/23/362186023.db2.gz GOMMXVLYCVWTCU-UHFFFAOYSA-N 1 2 242.323 -0.137 20 0 BBADLO COC[C@@H](C)n1cc(C[N@@H+](C)CCO)nn1 ZINC000641079362 362192322 /nfs/dbraw/zinc/19/23/22/362192322.db2.gz OULYQHGTKNAYKE-SECBINFHSA-N 1 2 228.296 -0.090 20 0 BBADLO COC[C@@H](C)n1cc(C[N@H+](C)CCO)nn1 ZINC000641079362 362192318 /nfs/dbraw/zinc/19/23/18/362192318.db2.gz OULYQHGTKNAYKE-SECBINFHSA-N 1 2 228.296 -0.090 20 0 BBADLO COC[C@H](C)n1cc(C[N@@H+](C)CCO)nn1 ZINC000641079368 362192836 /nfs/dbraw/zinc/19/28/36/362192836.db2.gz OULYQHGTKNAYKE-VIFPVBQESA-N 1 2 228.296 -0.090 20 0 BBADLO COC[C@H](C)n1cc(C[N@H+](C)CCO)nn1 ZINC000641079368 362192830 /nfs/dbraw/zinc/19/28/30/362192830.db2.gz OULYQHGTKNAYKE-VIFPVBQESA-N 1 2 228.296 -0.090 20 0 BBADLO CO[C@H](C)Cn1cc(C[N@@H+](C)CCO)nn1 ZINC000641080007 362193632 /nfs/dbraw/zinc/19/36/32/362193632.db2.gz HNRRVXFCXHVBPV-SECBINFHSA-N 1 2 228.296 -0.263 20 0 BBADLO CO[C@H](C)Cn1cc(C[N@H+](C)CCO)nn1 ZINC000641080007 362193627 /nfs/dbraw/zinc/19/36/27/362193627.db2.gz HNRRVXFCXHVBPV-SECBINFHSA-N 1 2 228.296 -0.263 20 0 BBADLO CO[C@@H](C)Cn1cc(C[N@@H+](C)CCO)nn1 ZINC000641080008 362193690 /nfs/dbraw/zinc/19/36/90/362193690.db2.gz HNRRVXFCXHVBPV-VIFPVBQESA-N 1 2 228.296 -0.263 20 0 BBADLO CO[C@@H](C)Cn1cc(C[N@H+](C)CCO)nn1 ZINC000641080008 362193687 /nfs/dbraw/zinc/19/36/87/362193687.db2.gz HNRRVXFCXHVBPV-VIFPVBQESA-N 1 2 228.296 -0.263 20 0 BBADLO CC(C)[C@H](O)Cn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000641080661 362196388 /nfs/dbraw/zinc/19/63/88/362196388.db2.gz ALYJYGIUAOEDEZ-GHMZBOCLSA-N 1 2 240.307 -0.044 20 0 BBADLO CC(C)[C@@H](O)Cn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000641080662 362196291 /nfs/dbraw/zinc/19/62/91/362196291.db2.gz ALYJYGIUAOEDEZ-MNOVXSKESA-N 1 2 240.307 -0.044 20 0 BBADLO CC(C)[C@@H](O)Cn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000641080663 362195845 /nfs/dbraw/zinc/19/58/45/362195845.db2.gz ALYJYGIUAOEDEZ-QWRGUYRKSA-N 1 2 240.307 -0.044 20 0 BBADLO CC(C)[C@H](O)Cn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000641080664 362195746 /nfs/dbraw/zinc/19/57/46/362195746.db2.gz ALYJYGIUAOEDEZ-WDEREUQCSA-N 1 2 240.307 -0.044 20 0 BBADLO CC(C)[C@H](O)Cn1cc(C[N@@H+](C)CCO)nn1 ZINC000641082167 362200189 /nfs/dbraw/zinc/20/01/89/362200189.db2.gz KBGRQXNCLHEWKF-LLVKDONJSA-N 1 2 242.323 -0.281 20 0 BBADLO CC(C)[C@H](O)Cn1cc(C[N@H+](C)CCO)nn1 ZINC000641082167 362200181 /nfs/dbraw/zinc/20/01/81/362200181.db2.gz KBGRQXNCLHEWKF-LLVKDONJSA-N 1 2 242.323 -0.281 20 0 BBADLO CC(C)[C@@H](O)Cn1cc(C[N@@H+](C)CCO)nn1 ZINC000641082170 362200436 /nfs/dbraw/zinc/20/04/36/362200436.db2.gz KBGRQXNCLHEWKF-NSHDSACASA-N 1 2 242.323 -0.281 20 0 BBADLO CC(C)[C@@H](O)Cn1cc(C[N@H+](C)CCO)nn1 ZINC000641082170 362200431 /nfs/dbraw/zinc/20/04/31/362200431.db2.gz KBGRQXNCLHEWKF-NSHDSACASA-N 1 2 242.323 -0.281 20 0 BBADLO C[C@@H](O)Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000641189823 362265146 /nfs/dbraw/zinc/26/51/46/362265146.db2.gz IPSCXELBOLJUMS-SNVBAGLBSA-N 1 2 240.307 -0.466 20 0 BBADLO COCC[N@@H+](C)Cc1cn(C[C@@H](C)O)nn1 ZINC000641190267 362266327 /nfs/dbraw/zinc/26/63/27/362266327.db2.gz MHERQFWPCAOYOP-SECBINFHSA-N 1 2 228.296 -0.263 20 0 BBADLO COCC[N@H+](C)Cc1cn(C[C@@H](C)O)nn1 ZINC000641190267 362266324 /nfs/dbraw/zinc/26/63/24/362266324.db2.gz MHERQFWPCAOYOP-SECBINFHSA-N 1 2 228.296 -0.263 20 0 BBADLO C[C@H](O)Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000641213731 362276700 /nfs/dbraw/zinc/27/67/00/362276700.db2.gz IPSCXELBOLJUMS-JTQLQIEISA-N 1 2 240.307 -0.466 20 0 BBADLO COCC[N@@H+](C)Cc1cn(C[C@H](C)O)nn1 ZINC000641213771 362276510 /nfs/dbraw/zinc/27/65/10/362276510.db2.gz MHERQFWPCAOYOP-VIFPVBQESA-N 1 2 228.296 -0.263 20 0 BBADLO COCC[N@H+](C)Cc1cn(C[C@H](C)O)nn1 ZINC000641213771 362276499 /nfs/dbraw/zinc/27/64/99/362276499.db2.gz MHERQFWPCAOYOP-VIFPVBQESA-N 1 2 228.296 -0.263 20 0 BBADLO CC[C@@](C)(O)Cn1cc(C[N@@H+](C)CCO)nn1 ZINC000641215996 362274851 /nfs/dbraw/zinc/27/48/51/362274851.db2.gz CICXEYPVOIWWMR-LLVKDONJSA-N 1 2 242.323 -0.137 20 0 BBADLO CC[C@@](C)(O)Cn1cc(C[N@H+](C)CCO)nn1 ZINC000641215996 362274848 /nfs/dbraw/zinc/27/48/48/362274848.db2.gz CICXEYPVOIWWMR-LLVKDONJSA-N 1 2 242.323 -0.137 20 0 BBADLO CC[C@](C)(O)Cn1cc(C[N@@H+](C)CCO)nn1 ZINC000641216003 362275520 /nfs/dbraw/zinc/27/55/20/362275520.db2.gz CICXEYPVOIWWMR-NSHDSACASA-N 1 2 242.323 -0.137 20 0 BBADLO CC[C@](C)(O)Cn1cc(C[N@H+](C)CCO)nn1 ZINC000641216003 362275513 /nfs/dbraw/zinc/27/55/13/362275513.db2.gz CICXEYPVOIWWMR-NSHDSACASA-N 1 2 242.323 -0.137 20 0 BBADLO C[N@@H+](CCO)Cc1cn(CC2(O)CCC2)nn1 ZINC000641216274 362278629 /nfs/dbraw/zinc/27/86/29/362278629.db2.gz HPHAIGJFAGOOOH-UHFFFAOYSA-N 1 2 240.307 -0.383 20 0 BBADLO C[N@H+](CCO)Cc1cn(CC2(O)CCC2)nn1 ZINC000641216274 362278625 /nfs/dbraw/zinc/27/86/25/362278625.db2.gz HPHAIGJFAGOOOH-UHFFFAOYSA-N 1 2 240.307 -0.383 20 0 BBADLO C[N@@H+](CCO)Cc1cn(CC(F)F)nn1 ZINC000641235117 362288418 /nfs/dbraw/zinc/28/84/18/362288418.db2.gz YKDJNGDFOVSMIB-UHFFFAOYSA-N 1 2 220.223 -0.033 20 0 BBADLO C[N@H+](CCO)Cc1cn(CC(F)F)nn1 ZINC000641235117 362288416 /nfs/dbraw/zinc/28/84/16/362288416.db2.gz YKDJNGDFOVSMIB-UHFFFAOYSA-N 1 2 220.223 -0.033 20 0 BBADLO COCCCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641250115 362325189 /nfs/dbraw/zinc/32/51/89/362325189.db2.gz CXANZHOJQWZEOE-UHFFFAOYSA-N 1 2 247.320 -0.161 20 0 BBADLO CCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641250535 362325954 /nfs/dbraw/zinc/32/59/54/362325954.db2.gz WIHQFQOKQDDFRC-UHFFFAOYSA-N 1 2 203.267 -0.178 20 0 BBADLO NC(=O)c1cc(NCCCn2cc[nH+]c2)ncn1 ZINC000641251611 412293171 /nfs/dbraw/zinc/29/31/71/412293171.db2.gz ANBBUMOCVMVCKH-UHFFFAOYSA-N 1 2 246.274 0.274 20 0 BBADLO COC[C@@H](C)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641251689 362330536 /nfs/dbraw/zinc/33/05/36/362330536.db2.gz DHXOKOYSZXLSNW-SECBINFHSA-N 1 2 247.320 -0.163 20 0 BBADLO COC[C@H](C)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641251690 362330233 /nfs/dbraw/zinc/33/02/33/362330233.db2.gz DHXOKOYSZXLSNW-VIFPVBQESA-N 1 2 247.320 -0.163 20 0 BBADLO NC(=O)c1nccnc1NCCCn1cc[nH+]c1 ZINC000641252494 410963749 /nfs/dbraw/zinc/96/37/49/410963749.db2.gz NOTXYEWEFONFDW-UHFFFAOYSA-N 1 2 246.274 0.274 20 0 BBADLO Cc1cncnc1NCC[NH+]1CCOCC1 ZINC000641253069 411742405 /nfs/dbraw/zinc/74/24/05/411742405.db2.gz WIGXEHUHCDSQQY-UHFFFAOYSA-N 1 2 222.292 0.529 20 0 BBADLO O=C1CN(c2cc(CO)cc[nH+]2)CCN1 ZINC000641255753 362334377 /nfs/dbraw/zinc/33/43/77/362334377.db2.gz HYRPQRRMVWESPM-UHFFFAOYSA-N 1 2 207.233 -0.490 20 0 BBADLO OCCOCCNc1cc(CO)cc[nH+]1 ZINC000641255845 362335437 /nfs/dbraw/zinc/33/54/37/362335437.db2.gz JYQBZOGGJYNFJJ-UHFFFAOYSA-N 1 2 212.249 -0.005 20 0 BBADLO COCCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641264542 362338889 /nfs/dbraw/zinc/33/88/89/362338889.db2.gz NAHUXCLKNDPZFQ-UHFFFAOYSA-N 1 2 233.293 -0.551 20 0 BBADLO CNC(=O)C[NH+]1CCN(c2ncncc2C)CC1 ZINC000641265430 362338315 /nfs/dbraw/zinc/33/83/15/362338315.db2.gz ZBKNNXVKTWEODT-UHFFFAOYSA-N 1 2 249.318 -0.347 20 0 BBADLO CN(Cc1[nH+]ccn1C)c1nccnc1C(N)=O ZINC000641265561 362338589 /nfs/dbraw/zinc/33/85/89/362338589.db2.gz OAUXCJQVGGVQQL-UHFFFAOYSA-N 1 2 246.274 -0.055 20 0 BBADLO CN(Cc1[nH+]ccn1C)c1cc(C(N)=O)ncn1 ZINC000641265757 362338382 /nfs/dbraw/zinc/33/83/82/362338382.db2.gz PZLHBXSSGVTRAC-UHFFFAOYSA-N 1 2 246.274 -0.055 20 0 BBADLO CNC(=O)CN(C)c1cc(CO)cc[nH+]1 ZINC000641267602 362339970 /nfs/dbraw/zinc/33/99/70/362339970.db2.gz XDMZZQNIDYAICN-UHFFFAOYSA-N 1 2 209.249 -0.244 20 0 BBADLO COCCNC(=O)CNc1cc[nH+]cc1F ZINC000641268246 362340120 /nfs/dbraw/zinc/34/01/20/362340120.db2.gz SMGUGJXHOKQGJO-UHFFFAOYSA-N 1 2 227.239 -0.183 20 0 BBADLO COCCNC(=O)CNc1cc(CO)cc[nH+]1 ZINC000641268447 362340003 /nfs/dbraw/zinc/34/00/03/362340003.db2.gz SWVNXHGOJRCMHG-UHFFFAOYSA-N 1 2 239.275 -0.252 20 0 BBADLO CC(=O)NCCCNc1cc(CO)cc[nH+]1 ZINC000641280301 412163912 /nfs/dbraw/zinc/16/39/12/412163912.db2.gz CNZRJJCBTOYPGQ-UHFFFAOYSA-N 1 2 223.276 0.512 20 0 BBADLO CCOCCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641283325 362344652 /nfs/dbraw/zinc/34/46/52/362344652.db2.gz OPDYJPVBGBXENI-UHFFFAOYSA-N 1 2 247.320 -0.161 20 0 BBADLO COCCN(C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641287463 362344402 /nfs/dbraw/zinc/34/44/02/362344402.db2.gz CRIGJAFLKPYXFP-UHFFFAOYSA-N 1 2 247.320 -0.209 20 0 BBADLO CNC(=O)CCCNc1cc(CO)cc[nH+]1 ZINC000641299846 412262686 /nfs/dbraw/zinc/26/26/86/412262686.db2.gz RYDSCRKUCYDBCB-UHFFFAOYSA-N 1 2 223.276 0.512 20 0 BBADLO CS(=O)(=O)CCCNc1cc(CO)cc[nH+]1 ZINC000641303791 411782548 /nfs/dbraw/zinc/78/25/48/411782548.db2.gz JDKCRMVAUPSVBL-UHFFFAOYSA-N 1 2 244.316 0.421 20 0 BBADLO Cc1cncnc1NC[C@H]1C[N@@H+](C)CCO1 ZINC000641322955 411742755 /nfs/dbraw/zinc/74/27/55/411742755.db2.gz XZGVPQCVDWDXBE-JTQLQIEISA-N 1 2 222.292 0.528 20 0 BBADLO Cc1cncnc1NC[C@H]1C[N@H+](C)CCO1 ZINC000641322955 411742752 /nfs/dbraw/zinc/74/27/52/411742752.db2.gz XZGVPQCVDWDXBE-JTQLQIEISA-N 1 2 222.292 0.528 20 0 BBADLO Cc1cncnc1NC[C@@H]1C[N@@H+](C)CCO1 ZINC000641322957 411738067 /nfs/dbraw/zinc/73/80/67/411738067.db2.gz XZGVPQCVDWDXBE-SNVBAGLBSA-N 1 2 222.292 0.528 20 0 BBADLO Cc1cncnc1NC[C@@H]1C[N@H+](C)CCO1 ZINC000641322957 411738062 /nfs/dbraw/zinc/73/80/62/411738062.db2.gz XZGVPQCVDWDXBE-SNVBAGLBSA-N 1 2 222.292 0.528 20 0 BBADLO CCS(=O)(=O)NCCNc1cc[nH+]cc1F ZINC000641329376 362365065 /nfs/dbraw/zinc/36/50/65/362365065.db2.gz FNUPSUCHYDLPCD-UHFFFAOYSA-N 1 2 247.295 -0.006 20 0 BBADLO CN(CCO)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641337149 362367822 /nfs/dbraw/zinc/36/78/22/362367822.db2.gz CMCIOVIUZUFTLB-UHFFFAOYSA-N 1 2 233.293 -0.863 20 0 BBADLO CC[C@H](CO)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641338270 362368345 /nfs/dbraw/zinc/36/83/45/362368345.db2.gz IWNYZAXWTAQXMC-SECBINFHSA-N 1 2 247.320 -0.427 20 0 BBADLO CC[C@@H](CO)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641338272 362368735 /nfs/dbraw/zinc/36/87/35/362368735.db2.gz IWNYZAXWTAQXMC-VIFPVBQESA-N 1 2 247.320 -0.427 20 0 BBADLO C[C@@H](O)CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641339345 362370139 /nfs/dbraw/zinc/37/01/39/362370139.db2.gz PYUHRGIAHPZSBH-MRVPVSSYSA-N 1 2 233.293 -0.817 20 0 BBADLO C[C@H](O)CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641339358 362369512 /nfs/dbraw/zinc/36/95/12/362369512.db2.gz PYUHRGIAHPZSBH-QMMMGPOBSA-N 1 2 233.293 -0.817 20 0 BBADLO C[C@H](CO)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641339901 362370123 /nfs/dbraw/zinc/37/01/23/362370123.db2.gz UDAFNQMGTBWYIA-MRVPVSSYSA-N 1 2 233.293 -0.817 20 0 BBADLO CCN(CCO)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641339928 362369482 /nfs/dbraw/zinc/36/94/82/362369482.db2.gz UKYDSBOMQPGUPL-UHFFFAOYSA-N 1 2 247.320 -0.473 20 0 BBADLO C[C@@H](O)CCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641341507 362371365 /nfs/dbraw/zinc/37/13/65/362371365.db2.gz RVRJCUQKQCQMMZ-SECBINFHSA-N 1 2 247.320 -0.427 20 0 BBADLO C[C@H](O)CCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641341508 362371090 /nfs/dbraw/zinc/37/10/90/362371090.db2.gz RVRJCUQKQCQMMZ-VIFPVBQESA-N 1 2 247.320 -0.427 20 0 BBADLO O=S(=O)(CCn1cc[nH+]c1)N1CC[C@H](O)C1 ZINC000641341519 362371383 /nfs/dbraw/zinc/37/13/83/362371383.db2.gz SDFLTQQAARIUEB-VIFPVBQESA-N 1 2 245.304 -0.721 20 0 BBADLO C[C@@H](CO)CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641343224 362370676 /nfs/dbraw/zinc/37/06/76/362370676.db2.gz MXWGPVUAQOTHSA-SECBINFHSA-N 1 2 247.320 -0.569 20 0 BBADLO C[C@H](CO)CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641343225 362370807 /nfs/dbraw/zinc/37/08/07/362370807.db2.gz MXWGPVUAQOTHSA-VIFPVBQESA-N 1 2 247.320 -0.569 20 0 BBADLO CC(C)(O)CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641344309 362372454 /nfs/dbraw/zinc/37/24/54/362372454.db2.gz OVUHMVQZDDUSBU-UHFFFAOYSA-N 1 2 247.320 -0.427 20 0 BBADLO O=S(=O)(CCn1cc[nH+]c1)N1CC[C@@H](O)C1 ZINC000641345152 362372224 /nfs/dbraw/zinc/37/22/24/362372224.db2.gz SDFLTQQAARIUEB-SECBINFHSA-N 1 2 245.304 -0.721 20 0 BBADLO NC(=O)[C@@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000641347350 362373337 /nfs/dbraw/zinc/37/33/37/362373337.db2.gz SKSXJDYJZXGHRL-SECBINFHSA-N 1 2 221.260 -0.115 20 0 BBADLO NC(=O)[C@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000641347351 362373860 /nfs/dbraw/zinc/37/38/60/362373860.db2.gz SKSXJDYJZXGHRL-VIFPVBQESA-N 1 2 221.260 -0.115 20 0 BBADLO C[C@@H](CO)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641360379 362376438 /nfs/dbraw/zinc/37/64/38/362376438.db2.gz UDAFNQMGTBWYIA-QMMMGPOBSA-N 1 2 233.293 -0.817 20 0 BBADLO Cc1cncnc1NC[C@@H]1CN(C)CC[N@H+]1C ZINC000641369199 411739100 /nfs/dbraw/zinc/73/91/00/411739100.db2.gz BEVBDZLPVQPOAG-LLVKDONJSA-N 1 2 235.335 0.443 20 0 BBADLO Cc1cncnc1NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000641369199 411739097 /nfs/dbraw/zinc/73/90/97/411739097.db2.gz BEVBDZLPVQPOAG-LLVKDONJSA-N 1 2 235.335 0.443 20 0 BBADLO Cc1cncnc1NC[C@H]1CN(C)CC[N@H+]1C ZINC000641369200 411743224 /nfs/dbraw/zinc/74/32/24/411743224.db2.gz BEVBDZLPVQPOAG-NSHDSACASA-N 1 2 235.335 0.443 20 0 BBADLO Cc1cncnc1NC[C@H]1CN(C)CC[N@@H+]1C ZINC000641369200 411743221 /nfs/dbraw/zinc/74/32/21/411743221.db2.gz BEVBDZLPVQPOAG-NSHDSACASA-N 1 2 235.335 0.443 20 0 BBADLO CN1CCN(c2cc(CO)cc[nH+]2)CC1=O ZINC000641392012 362391270 /nfs/dbraw/zinc/39/12/70/362391270.db2.gz RQGINHNXZVURSW-UHFFFAOYSA-N 1 2 221.260 -0.148 20 0 BBADLO C[C@H](CO)N(C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641392565 362391294 /nfs/dbraw/zinc/39/12/94/362391294.db2.gz FOLNDFANXRRMNB-SECBINFHSA-N 1 2 247.320 -0.475 20 0 BBADLO C[C@@H](CO)N(C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641392567 362390669 /nfs/dbraw/zinc/39/06/69/362390669.db2.gz FOLNDFANXRRMNB-VIFPVBQESA-N 1 2 247.320 -0.475 20 0 BBADLO O=S(=O)(CCn1cc[nH+]c1)N[C@@H]1CCOC1 ZINC000641392855 362391196 /nfs/dbraw/zinc/39/11/96/362391196.db2.gz LYHOOLLCHYFPFR-SECBINFHSA-N 1 2 245.304 -0.409 20 0 BBADLO O=S(=O)(CCn1cc[nH+]c1)N[C@H]1CCOC1 ZINC000641392857 362391052 /nfs/dbraw/zinc/39/10/52/362391052.db2.gz LYHOOLLCHYFPFR-VIFPVBQESA-N 1 2 245.304 -0.409 20 0 BBADLO OCCCN(CCO)c1cc(CO)cc[nH+]1 ZINC000641401459 362394910 /nfs/dbraw/zinc/39/49/10/362394910.db2.gz ZBCNUSWVUXKDJA-UHFFFAOYSA-N 1 2 226.276 -0.245 20 0 BBADLO C[C@@H](O)CN(C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641408621 362399938 /nfs/dbraw/zinc/39/99/38/362399938.db2.gz LXDVFPSYWPNMQZ-SECBINFHSA-N 1 2 247.320 -0.475 20 0 BBADLO C[C@H](O)CN(C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641408622 362400007 /nfs/dbraw/zinc/40/00/07/362400007.db2.gz LXDVFPSYWPNMQZ-VIFPVBQESA-N 1 2 247.320 -0.475 20 0 BBADLO OCc1cc[nH+]c(N2C[C@H](O)C[C@H](O)C2)c1 ZINC000641412708 362402938 /nfs/dbraw/zinc/40/29/38/362402938.db2.gz UPRFKAISKDGDJO-AOOOYVTPSA-N 1 2 224.260 -0.494 20 0 BBADLO C[C@@H]1C(=O)NCCN1c1cc(CO)cc[nH+]1 ZINC000641417179 362406488 /nfs/dbraw/zinc/40/64/88/362406488.db2.gz CXTSHHADVHIDCO-MRVPVSSYSA-N 1 2 221.260 -0.101 20 0 BBADLO C[C@H]1C(=O)NCCN1c1cc(CO)cc[nH+]1 ZINC000641417181 362407001 /nfs/dbraw/zinc/40/70/01/362407001.db2.gz CXTSHHADVHIDCO-QMMMGPOBSA-N 1 2 221.260 -0.101 20 0 BBADLO O=C1NC[C@H]2CN(c3cc(CO)cc[nH+]3)CCN12 ZINC000641422350 362406555 /nfs/dbraw/zinc/40/65/55/362406555.db2.gz WXPKPWMMGLRPOB-JTQLQIEISA-N 1 2 248.286 -0.212 20 0 BBADLO O=C1NC[C@@H]2CN(c3cc(CO)cc[nH+]3)CCN12 ZINC000641422352 362407158 /nfs/dbraw/zinc/40/71/58/362407158.db2.gz WXPKPWMMGLRPOB-SNVBAGLBSA-N 1 2 248.286 -0.212 20 0 BBADLO NC(=O)c1nccnc1N1CC(n2cc[nH+]c2)C1 ZINC000641432591 362416185 /nfs/dbraw/zinc/41/61/85/362416185.db2.gz GXIBBAXOOUAXAE-UHFFFAOYSA-N 1 2 244.258 -0.167 20 0 BBADLO NC(=O)c1cc(N2CC(n3cc[nH+]c3)C2)ncn1 ZINC000641434113 362415094 /nfs/dbraw/zinc/41/50/94/362415094.db2.gz QPAMEVWDFDBQCQ-UHFFFAOYSA-N 1 2 244.258 -0.167 20 0 BBADLO CO[C@H](C)CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641451384 362426135 /nfs/dbraw/zinc/42/61/35/362426135.db2.gz XWRXIRYPAVUMDW-SECBINFHSA-N 1 2 247.320 -0.163 20 0 BBADLO CO[C@@H](C)CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641451385 362426151 /nfs/dbraw/zinc/42/61/51/362426151.db2.gz XWRXIRYPAVUMDW-VIFPVBQESA-N 1 2 247.320 -0.163 20 0 BBADLO Cc1cncnc1NC[C@@H]1C[NH+]2CCN1CC2 ZINC000641454217 411742543 /nfs/dbraw/zinc/74/25/43/411742543.db2.gz WNNYOSIVDHSAPP-LLVKDONJSA-N 1 2 233.319 0.197 20 0 BBADLO Cc1cncnc1NC[C@H]1C[NH+]2CCN1CC2 ZINC000641454218 411742431 /nfs/dbraw/zinc/74/24/31/411742431.db2.gz WNNYOSIVDHSAPP-NSHDSACASA-N 1 2 233.319 0.197 20 0 BBADLO Cc1cncnc1NCCC[N@H+]1CCNC(=O)C1 ZINC000641459552 411743281 /nfs/dbraw/zinc/74/32/81/411743281.db2.gz GVVJECOIRLYHDV-UHFFFAOYSA-N 1 2 249.318 0.019 20 0 BBADLO Cc1cncnc1NCCC[N@@H+]1CCNC(=O)C1 ZINC000641459552 411743279 /nfs/dbraw/zinc/74/32/79/411743279.db2.gz GVVJECOIRLYHDV-UHFFFAOYSA-N 1 2 249.318 0.019 20 0 BBADLO O=C(CO)N1CCN(c2cc[nH+]cc2F)CC1 ZINC000641462302 362436599 /nfs/dbraw/zinc/43/65/99/362436599.db2.gz JMWIFMYLPNBQGD-UHFFFAOYSA-N 1 2 239.250 -0.138 20 0 BBADLO CN(c1cc(CO)cc[nH+]1)[C@@H]1CCNC1=O ZINC000641463358 362434642 /nfs/dbraw/zinc/43/46/42/362434642.db2.gz GAHNGXWJMBURCL-SECBINFHSA-N 1 2 221.260 -0.101 20 0 BBADLO CN(c1cc(CO)cc[nH+]1)[C@H]1CCNC1=O ZINC000641463359 362434423 /nfs/dbraw/zinc/43/44/23/362434423.db2.gz GAHNGXWJMBURCL-VIFPVBQESA-N 1 2 221.260 -0.101 20 0 BBADLO CC1(O)CN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641465926 362439018 /nfs/dbraw/zinc/43/90/18/362439018.db2.gz JIPRRUQSHLJXCG-UHFFFAOYSA-N 1 2 245.304 -0.721 20 0 BBADLO NC(=O)N[C@@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000641469902 362438129 /nfs/dbraw/zinc/43/81/29/362438129.db2.gz UFJJDFNILZCUNB-SECBINFHSA-N 1 2 236.275 -0.179 20 0 BBADLO NC(=O)N[C@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000641469903 362438112 /nfs/dbraw/zinc/43/81/12/362438112.db2.gz UFJJDFNILZCUNB-VIFPVBQESA-N 1 2 236.275 -0.179 20 0 BBADLO C[C@@H](CNc1cc[nH+]cc1F)S(N)(=O)=O ZINC000641472748 362441209 /nfs/dbraw/zinc/44/12/09/362441209.db2.gz FTTIOTRPDCKYCE-LURJTMIESA-N 1 2 233.268 -0.269 20 0 BBADLO C[C@H](CNc1cc[nH+]cc1F)S(N)(=O)=O ZINC000641472749 362441023 /nfs/dbraw/zinc/44/10/23/362441023.db2.gz FTTIOTRPDCKYCE-ZCFIWIBFSA-N 1 2 233.268 -0.269 20 0 BBADLO Cn1nnnc1CCNc1cc(CO)cc[nH+]1 ZINC000641475993 362449022 /nfs/dbraw/zinc/44/90/22/362449022.db2.gz DRSIFTCEVJYHTH-UHFFFAOYSA-N 1 2 234.263 -0.248 20 0 BBADLO Cn1nnnc1CCNc1cc[nH+]cc1F ZINC000641476946 362445300 /nfs/dbraw/zinc/44/53/00/362445300.db2.gz SPSJETNJMDAVEI-UHFFFAOYSA-N 1 2 222.227 -0.179 20 0 BBADLO O=C(CNc1cc[nH+]cc1F)N1CCOCC1 ZINC000641478444 362446997 /nfs/dbraw/zinc/44/69/97/362446997.db2.gz AYQWMRQBLHACEF-UHFFFAOYSA-N 1 2 239.250 -0.087 20 0 BBADLO CN(CCCO)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641481068 362448587 /nfs/dbraw/zinc/44/85/87/362448587.db2.gz XOZADMQCRPPNNQ-UHFFFAOYSA-N 1 2 247.320 -0.473 20 0 BBADLO COCC[C@@H](Nc1cc[nH+]cc1F)C(N)=O ZINC000641481669 362450058 /nfs/dbraw/zinc/45/00/58/362450058.db2.gz YCAQEWXGMBDZCG-SECBINFHSA-N 1 2 227.239 -0.055 20 0 BBADLO COCC[C@H](Nc1cc[nH+]cc1F)C(N)=O ZINC000641481694 362450210 /nfs/dbraw/zinc/45/02/10/362450210.db2.gz YCAQEWXGMBDZCG-VIFPVBQESA-N 1 2 227.239 -0.055 20 0 BBADLO O=C1C[C@@H](Nc2cc(CO)cc[nH+]2)CN1 ZINC000641482335 362450011 /nfs/dbraw/zinc/45/00/11/362450011.db2.gz LDSSIJVXDVTIHN-MRVPVSSYSA-N 1 2 207.233 -0.126 20 0 BBADLO O=C1C[C@H](Nc2cc(CO)cc[nH+]2)CN1 ZINC000641482336 362450278 /nfs/dbraw/zinc/45/02/78/362450278.db2.gz LDSSIJVXDVTIHN-QMMMGPOBSA-N 1 2 207.233 -0.126 20 0 BBADLO OCCOCCCNc1cc(CO)cc[nH+]1 ZINC000641484967 411686582 /nfs/dbraw/zinc/68/65/82/411686582.db2.gz GEAKMJDAOZGYEG-UHFFFAOYSA-N 1 2 226.276 0.385 20 0 BBADLO O=S(=O)(CCn1cc[nH+]c1)N1CCCOC1 ZINC000641488770 362457434 /nfs/dbraw/zinc/45/74/34/362457434.db2.gz KIQXDIJSJTXSPS-UHFFFAOYSA-N 1 2 245.304 -0.107 20 0 BBADLO CC[C@H](O)CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641508372 362468957 /nfs/dbraw/zinc/46/89/57/362468957.db2.gz OQBVQHCAMNLZSE-VIFPVBQESA-N 1 2 247.320 -0.427 20 0 BBADLO Cn1nnn(Cc2[nH+]ccn2C(F)F)c1=O ZINC000641518027 362472345 /nfs/dbraw/zinc/47/23/45/362472345.db2.gz UDVPTEPGOPFUPG-UHFFFAOYSA-N 1 2 230.178 -0.383 20 0 BBADLO Cn1nnn(Cc2[nH+]c3ccccc3n2C)c1=O ZINC000641519631 362475667 /nfs/dbraw/zinc/47/56/67/362475667.db2.gz MXHIPTJCXSOXHG-UHFFFAOYSA-N 1 2 244.258 -0.088 20 0 BBADLO Cn1nnn(CCCn2cc[nH+]c2)c1=O ZINC000641519649 362476904 /nfs/dbraw/zinc/47/69/04/362476904.db2.gz NNSIJISGCTXLKT-UHFFFAOYSA-N 1 2 208.225 -0.736 20 0 BBADLO O=S(=O)(CCn1cc[nH+]c1)N1CCOC1 ZINC000641520088 362476922 /nfs/dbraw/zinc/47/69/22/362476922.db2.gz CLPUCFLDASWFKZ-UHFFFAOYSA-N 1 2 231.277 -0.497 20 0 BBADLO CNS(=O)(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000641524533 362474692 /nfs/dbraw/zinc/47/46/92/362474692.db2.gz BDWFAHUKHJQKIS-BQBZGAKWSA-N 1 2 230.293 -0.057 20 0 BBADLO CNS(=O)(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000641524534 362474858 /nfs/dbraw/zinc/47/48/58/362474858.db2.gz BDWFAHUKHJQKIS-NKWVEPMBSA-N 1 2 230.293 -0.057 20 0 BBADLO CNS(=O)(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000641524535 362474225 /nfs/dbraw/zinc/47/42/25/362474225.db2.gz BDWFAHUKHJQKIS-RNFRBKRXSA-N 1 2 230.293 -0.057 20 0 BBADLO CNS(=O)(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000641524536 362474761 /nfs/dbraw/zinc/47/47/61/362474761.db2.gz BDWFAHUKHJQKIS-RQJHMYQMSA-N 1 2 230.293 -0.057 20 0 BBADLO OCc1cc[nH+]c(N2CC[C@H](CO)[C@H](O)C2)c1 ZINC000641528017 362480810 /nfs/dbraw/zinc/48/08/10/362480810.db2.gz AFTKJFZGVXKJPL-GHMZBOCLSA-N 1 2 238.287 -0.247 20 0 BBADLO OCc1cc[nH+]c(N2CC[C@H](CO)[C@@H](O)C2)c1 ZINC000641528033 362481338 /nfs/dbraw/zinc/48/13/38/362481338.db2.gz AFTKJFZGVXKJPL-MNOVXSKESA-N 1 2 238.287 -0.247 20 0 BBADLO OCc1cc[nH+]c(N2CC[C@@H](CO)[C@@H](O)C2)c1 ZINC000641528034 362481555 /nfs/dbraw/zinc/48/15/55/362481555.db2.gz AFTKJFZGVXKJPL-QWRGUYRKSA-N 1 2 238.287 -0.247 20 0 BBADLO OCc1cc[nH+]c(N2CC[C@@H](CO)[C@H](O)C2)c1 ZINC000641528035 362481351 /nfs/dbraw/zinc/48/13/51/362481351.db2.gz AFTKJFZGVXKJPL-WDEREUQCSA-N 1 2 238.287 -0.247 20 0 BBADLO O=S(=O)(CCn1cc[nH+]c1)N[C@H]1C[C@@H](O)C1 ZINC000641528767 388151264 /nfs/dbraw/zinc/15/12/64/388151264.db2.gz PEVUKVOBHYUEPC-DTORHVGOSA-N 1 2 245.304 -0.674 20 0 BBADLO CNS(=O)(=O)NCCc1cn(C)c[nH+]1 ZINC000641530517 388151278 /nfs/dbraw/zinc/15/12/78/388151278.db2.gz PNHDZWMEYBCKTL-UHFFFAOYSA-N 1 2 218.282 -0.984 20 0 BBADLO C[C@@H]1C[N@H+](CCn2nnn(C)c2=O)C[C@H](C)O1 ZINC000641534756 362485069 /nfs/dbraw/zinc/48/50/69/362485069.db2.gz HRLFGHUXCOGSGV-DTORHVGOSA-N 1 2 241.295 -0.914 20 0 BBADLO C[C@@H]1C[N@@H+](CCn2nnn(C)c2=O)C[C@H](C)O1 ZINC000641534756 362485065 /nfs/dbraw/zinc/48/50/65/362485065.db2.gz HRLFGHUXCOGSGV-DTORHVGOSA-N 1 2 241.295 -0.914 20 0 BBADLO C[C@H]1C[NH+](CCn2nnn(C)c2=O)C[C@H](C)O1 ZINC000641534757 362485050 /nfs/dbraw/zinc/48/50/50/362485050.db2.gz HRLFGHUXCOGSGV-IUCAKERBSA-N 1 2 241.295 -0.914 20 0 BBADLO C[C@@H]1C[NH+](CCn2nnn(C)c2=O)C[C@@H](C)O1 ZINC000641534758 362485087 /nfs/dbraw/zinc/48/50/87/362485087.db2.gz HRLFGHUXCOGSGV-RKDXNWHRSA-N 1 2 241.295 -0.914 20 0 BBADLO Cn1c[nH+]cc1CCCn1nnn(C)c1=O ZINC000641534983 362484142 /nfs/dbraw/zinc/48/41/42/362484142.db2.gz IZWKATNIRJKHFI-UHFFFAOYSA-N 1 2 222.252 -0.657 20 0 BBADLO NC(=O)[C@]1(O)CCN(c2cc[nH+]cc2F)C1 ZINC000641539370 362489194 /nfs/dbraw/zinc/48/91/94/362489194.db2.gz FECAFRHRVJUIFZ-JTQLQIEISA-N 1 2 225.223 -0.353 20 0 BBADLO NC(=O)[C@@]1(O)CCN(c2cc[nH+]cc2F)C1 ZINC000641539371 362489174 /nfs/dbraw/zinc/48/91/74/362489174.db2.gz FECAFRHRVJUIFZ-SNVBAGLBSA-N 1 2 225.223 -0.353 20 0 BBADLO CC[C@@H](O)CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641541174 362488684 /nfs/dbraw/zinc/48/86/84/362488684.db2.gz OQBVQHCAMNLZSE-SECBINFHSA-N 1 2 247.320 -0.427 20 0 BBADLO Cn1nnc(CNc2cc(CO)cc[nH+]2)n1 ZINC000641542610 362489764 /nfs/dbraw/zinc/48/97/64/362489764.db2.gz HEVBKRPQQWMEHH-UHFFFAOYSA-N 1 2 220.236 -0.291 20 0 BBADLO Cn1nnc(CNc2cc[nH+]cc2F)n1 ZINC000641543722 362491470 /nfs/dbraw/zinc/49/14/70/362491470.db2.gz XWTLNFYKOPDMQK-UHFFFAOYSA-N 1 2 208.200 -0.222 20 0 BBADLO C[C@](O)(CO)CNc1cc[nH+]cc1F ZINC000641546366 362494193 /nfs/dbraw/zinc/49/41/93/362494193.db2.gz BPNQJZPBRDMBAN-SECBINFHSA-N 1 2 200.213 -0.202 20 0 BBADLO C[C@@](O)(CO)CNc1cc[nH+]cc1F ZINC000641546367 362493643 /nfs/dbraw/zinc/49/36/43/362493643.db2.gz BPNQJZPBRDMBAN-VIFPVBQESA-N 1 2 200.213 -0.202 20 0 BBADLO COC[C@@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641546722 362493720 /nfs/dbraw/zinc/49/37/20/362493720.db2.gz SSIUMNGEXBQBSU-SECBINFHSA-N 1 2 212.249 -0.007 20 0 BBADLO COC[C@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641546727 362494049 /nfs/dbraw/zinc/49/40/49/362494049.db2.gz SSIUMNGEXBQBSU-VIFPVBQESA-N 1 2 212.249 -0.007 20 0 BBADLO C[C@@](O)(CO)CNc1cc(CO)cc[nH+]1 ZINC000641547512 362494901 /nfs/dbraw/zinc/49/49/01/362494901.db2.gz SCAKUIACRSRUIC-JTQLQIEISA-N 1 2 212.249 -0.271 20 0 BBADLO C[C@](O)(CO)CNc1cc(CO)cc[nH+]1 ZINC000641547514 362495078 /nfs/dbraw/zinc/49/50/78/362495078.db2.gz SCAKUIACRSRUIC-SNVBAGLBSA-N 1 2 212.249 -0.271 20 0 BBADLO COC[C@H](O)CNc1cc(CO)cc[nH+]1 ZINC000641558350 362503225 /nfs/dbraw/zinc/50/32/25/362503225.db2.gz QYNSLRFGCBUARN-SECBINFHSA-N 1 2 212.249 -0.007 20 0 BBADLO C[N@H+]1CCN(S(=O)(=O)N2CCC2)CC1(C)C ZINC000641592864 362534456 /nfs/dbraw/zinc/53/44/56/362534456.db2.gz IYVBRXDCPQGQDF-UHFFFAOYSA-N 1 2 247.364 -0.037 20 0 BBADLO C[N@@H+]1CCN(S(=O)(=O)N2CCC2)CC1(C)C ZINC000641592864 362534452 /nfs/dbraw/zinc/53/44/52/362534452.db2.gz IYVBRXDCPQGQDF-UHFFFAOYSA-N 1 2 247.364 -0.037 20 0 BBADLO C[N@H+]1CCN(S(=O)(=O)C2COC2)CC1(C)C ZINC000641593120 362535915 /nfs/dbraw/zinc/53/59/15/362535915.db2.gz MVTWVAFVUJMGBL-UHFFFAOYSA-N 1 2 248.348 -0.259 20 0 BBADLO C[N@@H+]1CCN(S(=O)(=O)C2COC2)CC1(C)C ZINC000641593120 362535911 /nfs/dbraw/zinc/53/59/11/362535911.db2.gz MVTWVAFVUJMGBL-UHFFFAOYSA-N 1 2 248.348 -0.259 20 0 BBADLO CN(CCC(N)=O)c1cc(CO)cc[nH+]1 ZINC000641596514 362539654 /nfs/dbraw/zinc/53/96/54/362539654.db2.gz WYFZKFXTRLFQQO-UHFFFAOYSA-N 1 2 209.249 -0.115 20 0 BBADLO NC(=O)c1cc(N2CCn3c[nH+]cc3C2)ncn1 ZINC000641602604 362540019 /nfs/dbraw/zinc/54/00/19/362540019.db2.gz RYPGTTYUUUXUDS-UHFFFAOYSA-N 1 2 244.258 -0.208 20 0 BBADLO NC(=O)c1nccnc1N1CCn2c[nH+]cc2C1 ZINC000641602722 362540510 /nfs/dbraw/zinc/54/05/10/362540510.db2.gz UNSGTKJESFXZEI-UHFFFAOYSA-N 1 2 244.258 -0.208 20 0 BBADLO CN(C)S(=O)(=O)CCNc1cc[nH+]cc1F ZINC000641605265 362542320 /nfs/dbraw/zinc/54/23/20/362542320.db2.gz ZNZXNCJEDYMSKL-UHFFFAOYSA-N 1 2 247.295 -0.054 20 0 BBADLO CCn1cc[nH+]c1CNc1cc(C(N)=O)ncn1 ZINC000641616820 411813858 /nfs/dbraw/zinc/81/38/58/411813858.db2.gz VCSZDSSPLLLTKP-UHFFFAOYSA-N 1 2 246.274 0.404 20 0 BBADLO O=C1NC(=O)[C@@H]2CN(c3cc[nH+]cc3F)C[C@H]12 ZINC000641619615 362550898 /nfs/dbraw/zinc/55/08/98/362550898.db2.gz IPEJDVOGBLEHBH-KNVOCYPGSA-N 1 2 235.218 -0.071 20 0 BBADLO C[C@@H]1CN(c2cc(CO)cc[nH+]2)CC(=O)N1 ZINC000641620214 362552107 /nfs/dbraw/zinc/55/21/07/362552107.db2.gz PPBTYXGHTFNHJC-MRVPVSSYSA-N 1 2 221.260 -0.101 20 0 BBADLO C[C@H]1CN(c2cc(CO)cc[nH+]2)CC(=O)N1 ZINC000641620215 362551826 /nfs/dbraw/zinc/55/18/26/362551826.db2.gz PPBTYXGHTFNHJC-QMMMGPOBSA-N 1 2 221.260 -0.101 20 0 BBADLO OCc1cc[nH+]c(N[C@@H]2COC[C@H]2O)c1 ZINC000641622338 362554480 /nfs/dbraw/zinc/55/44/80/362554480.db2.gz RRSXTSYYNUTBEY-RKDXNWHRSA-N 1 2 210.233 -0.255 20 0 BBADLO Cn1c[nH+]c(CCNc2nccnc2C(N)=O)c1 ZINC000641627336 412152928 /nfs/dbraw/zinc/15/29/28/412152928.db2.gz NEEIHALCNFGSOS-UHFFFAOYSA-N 1 2 246.274 -0.036 20 0 BBADLO Cn1c[nH+]c(CCNc2cc(C(N)=O)ncn2)c1 ZINC000641627897 412153493 /nfs/dbraw/zinc/15/34/93/412153493.db2.gz VGBKJZSBUAOJQG-UHFFFAOYSA-N 1 2 246.274 -0.036 20 0 BBADLO O[C@H](CNc1cc[nH+]cc1F)Cn1ccnn1 ZINC000641629685 362560162 /nfs/dbraw/zinc/56/01/62/362560162.db2.gz MJPIYXQAAATPQL-MRVPVSSYSA-N 1 2 237.238 -0.293 20 0 BBADLO O[C@@H](CNc1cc[nH+]cc1F)Cn1ccnn1 ZINC000641629686 362560656 /nfs/dbraw/zinc/56/06/56/362560656.db2.gz MJPIYXQAAATPQL-QMMMGPOBSA-N 1 2 237.238 -0.293 20 0 BBADLO C[C@@H](O)[C@@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641629895 362560851 /nfs/dbraw/zinc/56/08/51/362560851.db2.gz NIDLCAXLKFDUCC-VXNVDRBHSA-N 1 2 212.249 -0.273 20 0 BBADLO C[C@@H](O)[C@@H](CO)Nc1cc[nH+]cc1F ZINC000641630208 362560322 /nfs/dbraw/zinc/56/03/22/362560322.db2.gz SPDRYUFQHYFKPF-HZGVNTEJSA-N 1 2 200.213 -0.204 20 0 BBADLO OCc1cc[nH+]c(NC[C@H](O)Cn2ccnn2)c1 ZINC000641630452 362561656 /nfs/dbraw/zinc/56/16/56/362561656.db2.gz VGAYCPWYDPVQTG-JTQLQIEISA-N 1 2 249.274 -0.362 20 0 BBADLO OCc1cc[nH+]c(NC[C@@H](O)Cn2ccnn2)c1 ZINC000641630453 362561363 /nfs/dbraw/zinc/56/13/63/362561363.db2.gz VGAYCPWYDPVQTG-SNVBAGLBSA-N 1 2 249.274 -0.362 20 0 BBADLO Cc1cc(NCCn2cnccc2=O)nc[nH+]1 ZINC000641646747 411650433 /nfs/dbraw/zinc/65/04/33/411650433.db2.gz VWOJOBLWVRGWBG-UHFFFAOYSA-N 1 2 231.259 0.454 20 0 BBADLO Cc1nc(NCCn2cnccc2=O)cc[nH+]1 ZINC000641648749 411372197 /nfs/dbraw/zinc/37/21/97/411372197.db2.gz PYELXUWQAWEMLJ-UHFFFAOYSA-N 1 2 231.259 0.454 20 0 BBADLO O=C1NCC[C@@H]1Nc1cc(CO)cc[nH+]1 ZINC000641657723 362582392 /nfs/dbraw/zinc/58/23/92/362582392.db2.gz VUOWFVBDFONHRX-QMMMGPOBSA-N 1 2 207.233 -0.126 20 0 BBADLO CCc1cc(NCc2n[nH]c(CO)n2)nc(C)[nH+]1 ZINC000641675504 411768209 /nfs/dbraw/zinc/76/82/09/411768209.db2.gz BCWYTTJJVJTDSS-UHFFFAOYSA-N 1 2 248.290 0.570 20 0 BBADLO CCc1cc(NCc2nc(CO)n[nH]2)nc(C)[nH+]1 ZINC000641675504 411768206 /nfs/dbraw/zinc/76/82/06/411768206.db2.gz BCWYTTJJVJTDSS-UHFFFAOYSA-N 1 2 248.290 0.570 20 0 BBADLO NC(=O)C1(O)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000641675977 362596316 /nfs/dbraw/zinc/59/63/16/362596316.db2.gz BZGJQCSBOMQEKO-UHFFFAOYSA-N 1 2 234.259 -0.610 20 0 BBADLO CCc1nc(N2CC(O)(C(N)=O)C2)cc(C)[nH+]1 ZINC000641676012 362596572 /nfs/dbraw/zinc/59/65/72/362596572.db2.gz CWAHONHTOQWSBN-UHFFFAOYSA-N 1 2 236.275 -0.616 20 0 BBADLO CCc1nc(NCc2n[nH]c(CO)n2)cc(C)[nH+]1 ZINC000641676150 487709571 /nfs/dbraw/zinc/70/95/71/487709571.db2.gz LFMWNXAKPXXAOT-UHFFFAOYSA-N 1 2 248.290 0.570 20 0 BBADLO CCc1nc(NCc2nc(CO)n[nH]2)cc(C)[nH+]1 ZINC000641676150 487709567 /nfs/dbraw/zinc/70/95/67/487709567.db2.gz LFMWNXAKPXXAOT-UHFFFAOYSA-N 1 2 248.290 0.570 20 0 BBADLO Cc1nc(N2CC(O)(C(N)=O)C2)c(C)c(C)[nH+]1 ZINC000641676358 362597771 /nfs/dbraw/zinc/59/77/71/362597771.db2.gz JPPXDUIDKDGWFN-UHFFFAOYSA-N 1 2 236.275 -0.562 20 0 BBADLO Cc1cc(N2CC(O)(C(N)=O)C2)nc(C2CC2)[nH+]1 ZINC000641676372 362595829 /nfs/dbraw/zinc/59/58/29/362595829.db2.gz JVTWOMACFHJHDN-UHFFFAOYSA-N 1 2 248.286 -0.301 20 0 BBADLO CCc1cc(N2CC(O)(C(N)=O)C2)nc(C)[nH+]1 ZINC000641677377 362598367 /nfs/dbraw/zinc/59/83/67/362598367.db2.gz VNULTOVZIDEGJK-UHFFFAOYSA-N 1 2 236.275 -0.616 20 0 BBADLO OCc1cc[nH+]c(N[C@@H]2COC[C@@H]2O)c1 ZINC000641680503 362602417 /nfs/dbraw/zinc/60/24/17/362602417.db2.gz RRSXTSYYNUTBEY-BDAKNGLRSA-N 1 2 210.233 -0.255 20 0 BBADLO Cc1nccc(N2CC3(C2)CC(=O)NCC[NH2+]3)n1 ZINC000641681068 362602947 /nfs/dbraw/zinc/60/29/47/362602947.db2.gz FCFUZEPWZKTYDA-UHFFFAOYSA-N 1 2 247.302 -0.547 20 0 BBADLO Cc1ccc(N2CC3(C2)CC(=O)NCC[NH2+]3)nn1 ZINC000641681270 362602983 /nfs/dbraw/zinc/60/29/83/362602983.db2.gz KQPGUKJWKMKPJM-UHFFFAOYSA-N 1 2 247.302 -0.547 20 0 BBADLO Cc1cncnc1N1CC2(C1)CC(=O)NCC[NH2+]2 ZINC000641681545 362604279 /nfs/dbraw/zinc/60/42/79/362604279.db2.gz OKBULWIVSKTNQI-UHFFFAOYSA-N 1 2 247.302 -0.547 20 0 BBADLO Cc1cnc(N2CC3(C2)CC(=O)NCC[NH2+]3)nc1 ZINC000641681609 362604655 /nfs/dbraw/zinc/60/46/55/362604655.db2.gz QQEDILPEWQCZFJ-UHFFFAOYSA-N 1 2 247.302 -0.547 20 0 BBADLO Cc1cc(N2CC3(C2)CC(=O)NCC[NH2+]3)ncn1 ZINC000641681880 362604313 /nfs/dbraw/zinc/60/43/13/362604313.db2.gz UCWQSMLWERZTAN-UHFFFAOYSA-N 1 2 247.302 -0.547 20 0 BBADLO CNS(=O)(=O)CCCNc1cc[nH+]cc1F ZINC000641683287 362603419 /nfs/dbraw/zinc/60/34/19/362603419.db2.gz XNWJBWAJWIAGDL-UHFFFAOYSA-N 1 2 247.295 -0.006 20 0 BBADLO Cc1nsc(NC[C@@]2(CO)COCC[NH2+]2)n1 ZINC000641688322 362608286 /nfs/dbraw/zinc/60/82/86/362608286.db2.gz JUJUNBNQDLMDRB-SECBINFHSA-N 1 2 244.320 -0.969 20 0 BBADLO Cc1nsc(NC[C@]2(CO)COCC[NH2+]2)n1 ZINC000641688326 362607880 /nfs/dbraw/zinc/60/78/80/362607880.db2.gz JUJUNBNQDLMDRB-VIFPVBQESA-N 1 2 244.320 -0.969 20 0 BBADLO O[C@]12C[C@H]1CN(c1[nH+]cnc3c1OCCN3)C2 ZINC000641710669 362627544 /nfs/dbraw/zinc/62/75/44/362627544.db2.gz AIFUXOFCYGZGPA-CPCISQLKSA-N 1 2 234.259 -0.148 20 0 BBADLO O[C@]12C[C@H]1CN(c1nc[nH+]c3c1OCCN3)C2 ZINC000641710669 362627538 /nfs/dbraw/zinc/62/75/38/362627538.db2.gz AIFUXOFCYGZGPA-CPCISQLKSA-N 1 2 234.259 -0.148 20 0 BBADLO O[C@@]12C[C@@H]1CN(c1[nH+]cnc3c1OCCN3)C2 ZINC000641710671 362627643 /nfs/dbraw/zinc/62/76/43/362627643.db2.gz AIFUXOFCYGZGPA-RDDDGLTNSA-N 1 2 234.259 -0.148 20 0 BBADLO O[C@@]12C[C@@H]1CN(c1nc[nH+]c3c1OCCN3)C2 ZINC000641710671 362627639 /nfs/dbraw/zinc/62/76/39/362627639.db2.gz AIFUXOFCYGZGPA-RDDDGLTNSA-N 1 2 234.259 -0.148 20 0 BBADLO COc1c(N)nc[nH+]c1N1C[C@H]2C[C@@]2(O)C1 ZINC000641711433 362620769 /nfs/dbraw/zinc/62/07/69/362620769.db2.gz IUWPRSJXDOASTN-LHLIQPBNSA-N 1 2 222.248 -0.362 20 0 BBADLO COc1c(N)[nH+]cnc1N1C[C@H]2C[C@@]2(O)C1 ZINC000641711433 362620768 /nfs/dbraw/zinc/62/07/68/362620768.db2.gz IUWPRSJXDOASTN-LHLIQPBNSA-N 1 2 222.248 -0.362 20 0 BBADLO COc1c(N)nc[nH+]c1N1C[C@@H]2C[C@]2(O)C1 ZINC000641711435 362620785 /nfs/dbraw/zinc/62/07/85/362620785.db2.gz IUWPRSJXDOASTN-WKEGUHRASA-N 1 2 222.248 -0.362 20 0 BBADLO COc1c(N)[nH+]cnc1N1C[C@@H]2C[C@]2(O)C1 ZINC000641711435 362620784 /nfs/dbraw/zinc/62/07/84/362620784.db2.gz IUWPRSJXDOASTN-WKEGUHRASA-N 1 2 222.248 -0.362 20 0 BBADLO Cn1ncc2c1nc(N)[nH+]c2N1C[C@@H]2C[C@]2(O)C1 ZINC000641711585 411958380 /nfs/dbraw/zinc/95/83/80/411958380.db2.gz JNWOPMVSUWDXRE-KGFZYKRKSA-N 1 2 246.274 -0.484 20 0 BBADLO Cn1ncc2c1nc(N)[nH+]c2N1C[C@H]2C[C@@]2(O)C1 ZINC000641711586 411957458 /nfs/dbraw/zinc/95/74/58/411957458.db2.gz JNWOPMVSUWDXRE-KSBSHMNSSA-N 1 2 246.274 -0.484 20 0 BBADLO Cc1nc(N(C)C)nc(N2C[C@@H]3C[C@]3(O)C2)[nH+]1 ZINC000641711828 362622799 /nfs/dbraw/zinc/62/27/99/362622799.db2.gz GVKRLQPCYPSMCM-KWQFWETISA-N 1 2 235.291 -0.183 20 0 BBADLO Cc1nc(N2C[C@@H]3C[C@]3(O)C2)nc(N(C)C)[nH+]1 ZINC000641711828 362622796 /nfs/dbraw/zinc/62/27/96/362622796.db2.gz GVKRLQPCYPSMCM-KWQFWETISA-N 1 2 235.291 -0.183 20 0 BBADLO Cc1nc(N(C)C)nc(N2C[C@H]3C[C@@]3(O)C2)[nH+]1 ZINC000641711829 362622903 /nfs/dbraw/zinc/62/29/03/362622903.db2.gz GVKRLQPCYPSMCM-LDYMZIIASA-N 1 2 235.291 -0.183 20 0 BBADLO Cc1nc(N2C[C@H]3C[C@@]3(O)C2)nc(N(C)C)[nH+]1 ZINC000641711829 362622900 /nfs/dbraw/zinc/62/29/00/362622900.db2.gz GVKRLQPCYPSMCM-LDYMZIIASA-N 1 2 235.291 -0.183 20 0 BBADLO Cn1ncc2c1nc[nH+]c2N1C[C@@H]2C[C@]2(O)C1 ZINC000641712472 362623838 /nfs/dbraw/zinc/62/38/38/362623838.db2.gz OMUXVFNPLKGJLL-CPCISQLKSA-N 1 2 231.259 -0.066 20 0 BBADLO Cn1ncc2c1nc[nH+]c2N1C[C@H]2C[C@@]2(O)C1 ZINC000641712474 362623825 /nfs/dbraw/zinc/62/38/25/362623825.db2.gz OMUXVFNPLKGJLL-RDDDGLTNSA-N 1 2 231.259 -0.066 20 0 BBADLO Cc1nc(N2C[C@H]3C[C@@]3(O)C2)nc(N)[nH+]1 ZINC000641713453 644654802 /nfs/dbraw/zinc/65/48/02/644654802.db2.gz SRUVKRPKTFKVAP-HZGVNTEJSA-N 1 2 207.237 -0.667 20 0 BBADLO Cc1nc(N)nc(N2C[C@@H]3C[C@]3(O)C2)[nH+]1 ZINC000641713460 487968660 /nfs/dbraw/zinc/96/86/60/487968660.db2.gz SRUVKRPKTFKVAP-RCOVLWMOSA-N 1 2 207.237 -0.667 20 0 BBADLO Cc1nc(N2C[C@@H]3C[C@]3(O)C2)nc(N)[nH+]1 ZINC000641713460 487968659 /nfs/dbraw/zinc/96/86/59/487968659.db2.gz SRUVKRPKTFKVAP-RCOVLWMOSA-N 1 2 207.237 -0.667 20 0 BBADLO Cn1ncc2c1nc(N1C[C@@H]3C[C@]3(O)C1)[nH+]c2N ZINC000641714188 362629742 /nfs/dbraw/zinc/62/97/42/362629742.db2.gz WCZDCGDDNIHGKC-KGFZYKRKSA-N 1 2 246.274 -0.484 20 0 BBADLO Cn1ncc2c1nc(N1C[C@H]3C[C@@]3(O)C1)[nH+]c2N ZINC000641714189 362630189 /nfs/dbraw/zinc/63/01/89/362630189.db2.gz WCZDCGDDNIHGKC-KSBSHMNSSA-N 1 2 246.274 -0.484 20 0 BBADLO Cn1c[nH+]cc1CCn1ccc(=O)n(C)c1=O ZINC000641730482 362649339 /nfs/dbraw/zinc/64/93/39/362649339.db2.gz KADHNWCLELDORH-UHFFFAOYSA-N 1 2 234.259 -0.477 20 0 BBADLO COc1cc[nH+]cc1Cn1ccc(=O)n(C)c1=O ZINC000641731342 362656471 /nfs/dbraw/zinc/65/64/71/362656471.db2.gz XXZCZCQZRKQSDL-UHFFFAOYSA-N 1 2 247.254 -0.001 20 0 BBADLO Cn1c[nH+]cc1Cn1ccc(=O)n(C)c1=O ZINC000641731996 362657746 /nfs/dbraw/zinc/65/77/46/362657746.db2.gz PKZDAKCCPJDSSF-UHFFFAOYSA-N 1 2 220.232 -0.671 20 0 BBADLO O=C(NCCn1cc[nH+]c1)N1C[C@H]2C[C@@]2(O)C1 ZINC000641741468 362668493 /nfs/dbraw/zinc/66/84/93/362668493.db2.gz KGERJEPHTRXWNL-MWLCHTKSSA-N 1 2 236.275 -0.341 20 0 BBADLO O=C(NCCn1cc[nH+]c1)N1C[C@@H]2C[C@]2(O)C1 ZINC000641741470 362668864 /nfs/dbraw/zinc/66/88/64/362668864.db2.gz KGERJEPHTRXWNL-ONGXEEELSA-N 1 2 236.275 -0.341 20 0 BBADLO COC[C@@H](CO)[NH2+]Cc1nccnc1OC ZINC000641750837 362672593 /nfs/dbraw/zinc/67/25/93/362672593.db2.gz QJVINXJTPFCLIT-MRVPVSSYSA-N 1 2 227.264 -0.418 20 0 BBADLO COC[C@H](CO)[NH2+]Cc1nccnc1OC ZINC000641750841 362672963 /nfs/dbraw/zinc/67/29/63/362672963.db2.gz QJVINXJTPFCLIT-QMMMGPOBSA-N 1 2 227.264 -0.418 20 0 BBADLO Cn1cc[nH+]c1CNC(=O)N1C[C@@H]2C[C@]2(O)C1 ZINC000641784641 362722681 /nfs/dbraw/zinc/72/26/81/362722681.db2.gz VNTWLTJMEPXTLB-KWQFWETISA-N 1 2 236.275 -0.304 20 0 BBADLO Cn1cc[nH+]c1CNC(=O)N1C[C@H]2C[C@@]2(O)C1 ZINC000641784642 362723087 /nfs/dbraw/zinc/72/30/87/362723087.db2.gz VNTWLTJMEPXTLB-LDYMZIIASA-N 1 2 236.275 -0.304 20 0 BBADLO C[N@@H+](CC(=O)N1CCC1)CC(=O)N1CCCC1 ZINC000642187556 362901753 /nfs/dbraw/zinc/90/17/53/362901753.db2.gz OSOKBPSEUVEHIV-UHFFFAOYSA-N 1 2 239.319 -0.227 20 0 BBADLO C[N@H+](CC(=O)N1CCC1)CC(=O)N1CCCC1 ZINC000642187556 362901748 /nfs/dbraw/zinc/90/17/48/362901748.db2.gz OSOKBPSEUVEHIV-UHFFFAOYSA-N 1 2 239.319 -0.227 20 0 BBADLO CCC(=O)N[C@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000642353929 363553313 /nfs/dbraw/zinc/55/33/13/363553313.db2.gz UPHRBIRWCRZCMS-SECBINFHSA-N 1 2 238.291 -0.086 20 0 BBADLO CCC(=O)N[C@@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000642353930 363554047 /nfs/dbraw/zinc/55/40/47/363554047.db2.gz UPHRBIRWCRZCMS-VIFPVBQESA-N 1 2 238.291 -0.086 20 0 BBADLO COC[C@H](CO)NC(=O)CCCn1cc[nH+]c1 ZINC000642971294 385471368 /nfs/dbraw/zinc/47/13/68/385471368.db2.gz XTMGZHUWHBRHIU-JTQLQIEISA-N 1 2 241.291 -0.213 20 0 BBADLO CC[C@@H](O)CNc1[nH+]cnc2c1OCCN2 ZINC000643196852 491076123 /nfs/dbraw/zinc/07/61/23/491076123.db2.gz IDKKGTABDPQVIS-SSDOTTSWSA-N 1 2 224.264 0.464 20 0 BBADLO CC[C@@H](O)CNc1nc[nH+]c2c1OCCN2 ZINC000643196852 491076122 /nfs/dbraw/zinc/07/61/22/491076122.db2.gz IDKKGTABDPQVIS-SSDOTTSWSA-N 1 2 224.264 0.464 20 0 BBADLO CC[C@H](O)CNc1[nH+]cnc2c1OCCN2 ZINC000643196853 411148983 /nfs/dbraw/zinc/14/89/83/411148983.db2.gz IDKKGTABDPQVIS-ZETCQYMHSA-N 1 2 224.264 0.464 20 0 BBADLO CC[C@H](O)CNc1nc[nH+]c2c1OCCN2 ZINC000643196853 411148982 /nfs/dbraw/zinc/14/89/82/411148982.db2.gz IDKKGTABDPQVIS-ZETCQYMHSA-N 1 2 224.264 0.464 20 0 BBADLO O=C(Cn1cc[nH+]c1)Nc1nc2ccccn2n1 ZINC000643237405 412325115 /nfs/dbraw/zinc/32/51/15/412325115.db2.gz OKKUDSSUWDPCKI-UHFFFAOYSA-N 1 2 242.242 0.565 20 0 BBADLO C[C@@H]1CC[C@H](O)C[N@H+]1CC(=O)Nc1ccon1 ZINC000643254981 411838138 /nfs/dbraw/zinc/83/81/38/411838138.db2.gz CAXLMJXLEKOUEY-BDAKNGLRSA-N 1 2 239.275 0.458 20 0 BBADLO C[C@@H]1CC[C@H](O)C[N@@H+]1CC(=O)Nc1ccon1 ZINC000643254981 411838135 /nfs/dbraw/zinc/83/81/35/411838135.db2.gz CAXLMJXLEKOUEY-BDAKNGLRSA-N 1 2 239.275 0.458 20 0 BBADLO C[C@@H]1CC[C@@H](O)C[N@H+]1CC(=O)Nc1ccon1 ZINC000643254984 411838805 /nfs/dbraw/zinc/83/88/05/411838805.db2.gz CAXLMJXLEKOUEY-RKDXNWHRSA-N 1 2 239.275 0.458 20 0 BBADLO C[C@@H]1CC[C@@H](O)C[N@@H+]1CC(=O)Nc1ccon1 ZINC000643254984 411838800 /nfs/dbraw/zinc/83/88/00/411838800.db2.gz CAXLMJXLEKOUEY-RKDXNWHRSA-N 1 2 239.275 0.458 20 0 BBADLO O=C(NCc1c[nH]c[nH+]1)c1nc2n(n1)CCCN2 ZINC000643779670 384057575 /nfs/dbraw/zinc/05/75/75/384057575.db2.gz MLCNPQUWCSLHQN-UHFFFAOYSA-N 1 2 247.262 -0.996 20 0 BBADLO O=C(NCc1c[nH+]c[nH]1)c1nc2n(n1)CCCN2 ZINC000643779670 384057570 /nfs/dbraw/zinc/05/75/70/384057570.db2.gz MLCNPQUWCSLHQN-UHFFFAOYSA-N 1 2 247.262 -0.996 20 0 BBADLO NC(=O)C[C@]1(O)CCC[N@@H+](CC(F)F)C1 ZINC000643805690 385241709 /nfs/dbraw/zinc/24/17/09/385241709.db2.gz PXEZMULNPVFDCT-SECBINFHSA-N 1 2 222.235 -0.046 20 0 BBADLO NC(=O)C[C@]1(O)CCC[N@H+](CC(F)F)C1 ZINC000643805690 385241705 /nfs/dbraw/zinc/24/17/05/385241705.db2.gz PXEZMULNPVFDCT-SECBINFHSA-N 1 2 222.235 -0.046 20 0 BBADLO NC(=O)C[C@@]1(O)CCC[N@@H+](CC(F)F)C1 ZINC000643805691 385241522 /nfs/dbraw/zinc/24/15/22/385241522.db2.gz PXEZMULNPVFDCT-VIFPVBQESA-N 1 2 222.235 -0.046 20 0 BBADLO NC(=O)C[C@@]1(O)CCC[N@H+](CC(F)F)C1 ZINC000643805691 385241517 /nfs/dbraw/zinc/24/15/17/385241517.db2.gz PXEZMULNPVFDCT-VIFPVBQESA-N 1 2 222.235 -0.046 20 0 BBADLO O=C(Cn1cc[nH+]c1)N1[C@@H]2CO[C@@H]3[C@H]1CO[C@H]23 ZINC000644045437 385395121 /nfs/dbraw/zinc/39/51/21/385395121.db2.gz SOHJNZSALQYTPF-YJFSRANCSA-N 1 2 235.243 -0.740 20 0 BBADLO Cc1nc(N(C)C)nc(N2C[C@H]3[C@H](CO)[C@H]3C2)[nH+]1 ZINC000644134629 385515122 /nfs/dbraw/zinc/51/51/22/385515122.db2.gz LKYLSMPLEJPZIR-MYJAWHEDSA-N 1 2 249.318 -0.079 20 0 BBADLO Cc1nc(N2C[C@H]3[C@H](CO)[C@H]3C2)nc(N(C)C)[nH+]1 ZINC000644134629 385515121 /nfs/dbraw/zinc/51/51/21/385515121.db2.gz LKYLSMPLEJPZIR-MYJAWHEDSA-N 1 2 249.318 -0.079 20 0 BBADLO COC[C@H](O)C[NH2+]Cc1nc(N(C)C)no1 ZINC000644624423 385034237 /nfs/dbraw/zinc/03/42/37/385034237.db2.gz NYHQKSNZFZCQQY-SSDOTTSWSA-N 1 2 230.268 -0.768 20 0 BBADLO COC[C@@H](O)C[NH2+]Cc1nc(N(C)C)no1 ZINC000644624425 385032998 /nfs/dbraw/zinc/03/29/98/385032998.db2.gz NYHQKSNZFZCQQY-ZETCQYMHSA-N 1 2 230.268 -0.768 20 0 BBADLO Cc1nnc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)[nH]1 ZINC000644672476 385077274 /nfs/dbraw/zinc/07/72/74/385077274.db2.gz PHLVFAMRKSDISV-OCAPTIKFSA-N 1 2 212.253 -0.959 20 0 BBADLO Cc1nnc(C[N@H+]2C[C@H](O)C[C@H](O)C2)[nH]1 ZINC000644672476 385077269 /nfs/dbraw/zinc/07/72/69/385077269.db2.gz PHLVFAMRKSDISV-OCAPTIKFSA-N 1 2 212.253 -0.959 20 0 BBADLO CN(C)c1noc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)n1 ZINC000644715162 385132784 /nfs/dbraw/zinc/13/27/84/385132784.db2.gz VOWDFHPWRNXWSP-BRPSZJMVSA-N 1 2 238.291 -0.194 20 0 BBADLO CN(C)c1noc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)n1 ZINC000644715162 385132778 /nfs/dbraw/zinc/13/27/78/385132778.db2.gz VOWDFHPWRNXWSP-BRPSZJMVSA-N 1 2 238.291 -0.194 20 0 BBADLO C[N@H+]1C[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)[C@@H]2C1 ZINC000644731514 385259239 /nfs/dbraw/zinc/25/92/39/385259239.db2.gz GAGIQPHEPAPBJU-HTQZYQBOSA-N 1 2 223.280 -0.354 20 0 BBADLO C[N@@H+]1C[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)[C@@H]2C1 ZINC000644731514 385259235 /nfs/dbraw/zinc/25/92/35/385259235.db2.gz GAGIQPHEPAPBJU-HTQZYQBOSA-N 1 2 223.280 -0.354 20 0 BBADLO C[N@H+]1C[C@@H]2CCN(Cc3n[nH]c(=O)[nH]3)[C@@H]2C1 ZINC000644731528 385264625 /nfs/dbraw/zinc/26/46/25/385264625.db2.gz GAGIQPHEPAPBJU-JGVFFNPUSA-N 1 2 223.280 -0.354 20 0 BBADLO C[N@@H+]1C[C@@H]2CCN(Cc3n[nH]c(=O)[nH]3)[C@@H]2C1 ZINC000644731528 385264621 /nfs/dbraw/zinc/26/46/21/385264621.db2.gz GAGIQPHEPAPBJU-JGVFFNPUSA-N 1 2 223.280 -0.354 20 0 BBADLO C[N@H+]1C[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)[C@H]2C1 ZINC000644731535 385262637 /nfs/dbraw/zinc/26/26/37/385262637.db2.gz GAGIQPHEPAPBJU-SFYZADRCSA-N 1 2 223.280 -0.354 20 0 BBADLO C[N@@H+]1C[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)[C@H]2C1 ZINC000644731535 385262630 /nfs/dbraw/zinc/26/26/30/385262630.db2.gz GAGIQPHEPAPBJU-SFYZADRCSA-N 1 2 223.280 -0.354 20 0 BBADLO C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2n[nH]c(=O)[nH]2)C1 ZINC000644731539 385263777 /nfs/dbraw/zinc/26/37/77/385263777.db2.gz GAGIQPHEPAPBJU-YUMQZZPRSA-N 1 2 223.280 -0.354 20 0 BBADLO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2n[nH]c(=O)[nH]2)C1 ZINC000644731539 385263773 /nfs/dbraw/zinc/26/37/73/385263773.db2.gz GAGIQPHEPAPBJU-YUMQZZPRSA-N 1 2 223.280 -0.354 20 0 BBADLO C[N@H+]1C[C@H]2CCN(C(=O)CS(C)(=O)=O)[C@H]2C1 ZINC000644819589 385674835 /nfs/dbraw/zinc/67/48/35/385674835.db2.gz RPPKIGAORBIYBV-BDAKNGLRSA-N 1 2 246.332 -0.807 20 0 BBADLO C[N@@H+]1C[C@H]2CCN(C(=O)CS(C)(=O)=O)[C@H]2C1 ZINC000644819589 385674830 /nfs/dbraw/zinc/67/48/30/385674830.db2.gz RPPKIGAORBIYBV-BDAKNGLRSA-N 1 2 246.332 -0.807 20 0 BBADLO C[N@H+]1C[C@@H]2CCN(C(=O)CS(C)(=O)=O)[C@@H]2C1 ZINC000644819590 385673694 /nfs/dbraw/zinc/67/36/94/385673694.db2.gz RPPKIGAORBIYBV-DTWKUNHWSA-N 1 2 246.332 -0.807 20 0 BBADLO C[N@@H+]1C[C@@H]2CCN(C(=O)CS(C)(=O)=O)[C@@H]2C1 ZINC000644819590 385673689 /nfs/dbraw/zinc/67/36/89/385673689.db2.gz RPPKIGAORBIYBV-DTWKUNHWSA-N 1 2 246.332 -0.807 20 0 BBADLO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)CS(C)(=O)=O)C1 ZINC000644819591 385674138 /nfs/dbraw/zinc/67/41/38/385674138.db2.gz RPPKIGAORBIYBV-IUCAKERBSA-N 1 2 246.332 -0.807 20 0 BBADLO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CS(C)(=O)=O)C1 ZINC000644819591 385674133 /nfs/dbraw/zinc/67/41/33/385674133.db2.gz RPPKIGAORBIYBV-IUCAKERBSA-N 1 2 246.332 -0.807 20 0 BBADLO C[N@H+]1C[C@H]2CCN(C(=O)CS(C)(=O)=O)[C@@H]2C1 ZINC000644819592 385674456 /nfs/dbraw/zinc/67/44/56/385674456.db2.gz RPPKIGAORBIYBV-RKDXNWHRSA-N 1 2 246.332 -0.807 20 0 BBADLO C[N@@H+]1C[C@H]2CCN(C(=O)CS(C)(=O)=O)[C@@H]2C1 ZINC000644819592 385674453 /nfs/dbraw/zinc/67/44/53/385674453.db2.gz RPPKIGAORBIYBV-RKDXNWHRSA-N 1 2 246.332 -0.807 20 0 BBADLO C[C@@H](CF)NC(=O)NCC[NH+]1CCOCC1 ZINC000644849875 398111232 /nfs/dbraw/zinc/11/12/32/398111232.db2.gz QDVCLSXEISCSMA-VIFPVBQESA-N 1 2 233.287 -0.024 20 0 BBADLO C[C@H]1C[C@@H]1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000644885379 386149637 /nfs/dbraw/zinc/14/96/37/386149637.db2.gz GTNVNQNREXPKQG-AXFHLTTASA-N 1 2 242.319 -0.548 20 0 BBADLO C[C@H]1C[C@@H]1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000644885380 386150112 /nfs/dbraw/zinc/15/01/12/386150112.db2.gz GTNVNQNREXPKQG-DCAQKATOSA-N 1 2 242.319 -0.548 20 0 BBADLO C[C@@H]1C[C@H]1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000644885381 386150264 /nfs/dbraw/zinc/15/02/64/386150264.db2.gz GTNVNQNREXPKQG-GMTAPVOTSA-N 1 2 242.319 -0.548 20 0 BBADLO C[C@@H]1C[C@H]1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000644885382 386150331 /nfs/dbraw/zinc/15/03/31/386150331.db2.gz GTNVNQNREXPKQG-OUAUKWLOSA-N 1 2 242.319 -0.548 20 0 BBADLO O=C(C[N@@H+]1CCC[C@@H](CO)C1)Nc1ccon1 ZINC000644898587 412314756 /nfs/dbraw/zinc/31/47/56/412314756.db2.gz VNEBGUJBIATKGY-SECBINFHSA-N 1 2 239.275 0.317 20 0 BBADLO O=C(C[N@H+]1CCC[C@@H](CO)C1)Nc1ccon1 ZINC000644898587 412314753 /nfs/dbraw/zinc/31/47/53/412314753.db2.gz VNEBGUJBIATKGY-SECBINFHSA-N 1 2 239.275 0.317 20 0 BBADLO O=C(C[N@@H+]1CCC[C@H](CO)C1)Nc1ccon1 ZINC000644898591 412314153 /nfs/dbraw/zinc/31/41/53/412314153.db2.gz VNEBGUJBIATKGY-VIFPVBQESA-N 1 2 239.275 0.317 20 0 BBADLO O=C(C[N@H+]1CCC[C@H](CO)C1)Nc1ccon1 ZINC000644898591 412314150 /nfs/dbraw/zinc/31/41/50/412314150.db2.gz VNEBGUJBIATKGY-VIFPVBQESA-N 1 2 239.275 0.317 20 0 BBADLO CC[C@@H](O)CNC(=O)NCCn1cc[nH+]c1 ZINC000645120629 386734617 /nfs/dbraw/zinc/73/46/17/386734617.db2.gz FUEWCZMYEODKDR-SECBINFHSA-N 1 2 226.280 -0.047 20 0 BBADLO C[C@@H](CC(N)=O)N=c1[nH+]c(N)[nH]c2c1CCCC2 ZINC000645178744 411876935 /nfs/dbraw/zinc/87/69/35/411876935.db2.gz YIILHULTWGUKRU-ZETCQYMHSA-N 1 2 249.318 0.035 20 0 BBADLO CC[C@@H](O)CNC(=O)NCc1[nH+]ccn1C ZINC000645259980 386506604 /nfs/dbraw/zinc/50/66/04/386506604.db2.gz GMWKGOXBRAXNMO-MRVPVSSYSA-N 1 2 226.280 -0.010 20 0 BBADLO CC[C@@H](O)CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000645265409 385926208 /nfs/dbraw/zinc/92/62/08/385926208.db2.gz JNSLSHXGXGONOE-NXEZZACHSA-N 1 2 245.323 -0.613 20 0 BBADLO CC[C@@H](O)CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000645265409 385926204 /nfs/dbraw/zinc/92/62/04/385926204.db2.gz JNSLSHXGXGONOE-NXEZZACHSA-N 1 2 245.323 -0.613 20 0 BBADLO CC[C@@H](O)CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000645265428 385926135 /nfs/dbraw/zinc/92/61/35/385926135.db2.gz JNSLSHXGXGONOE-ZJUUUORDSA-N 1 2 245.323 -0.613 20 0 BBADLO CC[C@@H](O)CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000645265428 385926127 /nfs/dbraw/zinc/92/61/27/385926127.db2.gz JNSLSHXGXGONOE-ZJUUUORDSA-N 1 2 245.323 -0.613 20 0 BBADLO O=C(C[N@@H+]1CCC[C@@H](O)CC1)Nc1ccon1 ZINC000645270026 412314775 /nfs/dbraw/zinc/31/47/75/412314775.db2.gz VYHPODVSFATNTM-SECBINFHSA-N 1 2 239.275 0.460 20 0 BBADLO O=C(C[N@H+]1CCC[C@@H](O)CC1)Nc1ccon1 ZINC000645270026 412314773 /nfs/dbraw/zinc/31/47/73/412314773.db2.gz VYHPODVSFATNTM-SECBINFHSA-N 1 2 239.275 0.460 20 0 BBADLO O=C(C[N@@H+]1CCC[C@H](O)CC1)Nc1ccon1 ZINC000645270028 412313781 /nfs/dbraw/zinc/31/37/81/412313781.db2.gz VYHPODVSFATNTM-VIFPVBQESA-N 1 2 239.275 0.460 20 0 BBADLO O=C(C[N@H+]1CCC[C@H](O)CC1)Nc1ccon1 ZINC000645270028 412313776 /nfs/dbraw/zinc/31/37/76/412313776.db2.gz VYHPODVSFATNTM-VIFPVBQESA-N 1 2 239.275 0.460 20 0 BBADLO CC1(C(N)=O)CN(c2[nH+]cnc3c2OCCN3)C1 ZINC000645293893 385938004 /nfs/dbraw/zinc/93/80/04/385938004.db2.gz XZLUXKHQTRLSCB-UHFFFAOYSA-N 1 2 249.274 -0.408 20 0 BBADLO CC1(C(N)=O)CN(c2nc[nH+]c3c2OCCN3)C1 ZINC000645293893 385937999 /nfs/dbraw/zinc/93/79/99/385937999.db2.gz XZLUXKHQTRLSCB-UHFFFAOYSA-N 1 2 249.274 -0.408 20 0 BBADLO C[C@@H]1C(=O)N(C)CN1c1[nH+]cnc2c1cnn2C ZINC000645394385 386262620 /nfs/dbraw/zinc/26/26/20/386262620.db2.gz DTYHTYIDOLZXRM-SSDOTTSWSA-N 1 2 246.274 -0.012 20 0 BBADLO C[C@H]1C(=O)N(C)CN1c1[nH+]cnc2c1cnn2C ZINC000645394386 386262494 /nfs/dbraw/zinc/26/24/94/386262494.db2.gz DTYHTYIDOLZXRM-ZETCQYMHSA-N 1 2 246.274 -0.012 20 0 BBADLO C[C@@H]1C(=O)N(C)CN1c1[nH+]cnc2c1OCCN2 ZINC000645395872 386303593 /nfs/dbraw/zinc/30/35/93/386303593.db2.gz VBJIFFMLEDTFCW-SSDOTTSWSA-N 1 2 249.274 -0.095 20 0 BBADLO C[C@@H]1C(=O)N(C)CN1c1nc[nH+]c2c1OCCN2 ZINC000645395872 386303591 /nfs/dbraw/zinc/30/35/91/386303591.db2.gz VBJIFFMLEDTFCW-SSDOTTSWSA-N 1 2 249.274 -0.095 20 0 BBADLO C[C@H]1C(=O)N(C)CN1c1[nH+]cnc2c1OCCN2 ZINC000645395877 386303067 /nfs/dbraw/zinc/30/30/67/386303067.db2.gz VBJIFFMLEDTFCW-ZETCQYMHSA-N 1 2 249.274 -0.095 20 0 BBADLO C[C@H]1C(=O)N(C)CN1c1nc[nH+]c2c1OCCN2 ZINC000645395877 386303063 /nfs/dbraw/zinc/30/30/63/386303063.db2.gz VBJIFFMLEDTFCW-ZETCQYMHSA-N 1 2 249.274 -0.095 20 0 BBADLO CCn1nncc1C(=O)NCc1c[nH]c[nH+]1 ZINC000645525049 386894760 /nfs/dbraw/zinc/89/47/60/386894760.db2.gz KZDQHIOMRBKZKO-UHFFFAOYSA-N 1 2 220.236 -0.049 20 0 BBADLO CCn1nncc1C(=O)NCc1c[nH+]c[nH]1 ZINC000645525049 386894757 /nfs/dbraw/zinc/89/47/57/386894757.db2.gz KZDQHIOMRBKZKO-UHFFFAOYSA-N 1 2 220.236 -0.049 20 0 BBADLO C[C@H](CNC(=O)CN1CC[NH2+]CC1=O)C1CC1 ZINC000645744132 387883201 /nfs/dbraw/zinc/88/32/01/387883201.db2.gz GNBNBQJFHDSLAD-SECBINFHSA-N 1 2 239.319 -0.420 20 0 BBADLO C[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)C1CC1 ZINC000645744133 387884011 /nfs/dbraw/zinc/88/40/11/387884011.db2.gz GNBNBQJFHDSLAD-VIFPVBQESA-N 1 2 239.319 -0.420 20 0 BBADLO CNC(=O)C[N@@H+](C)CCNC(=O)NC(C)C ZINC000645775813 387900032 /nfs/dbraw/zinc/90/00/32/387900032.db2.gz RIIJSNGGZHQNLP-UHFFFAOYSA-N 1 2 230.312 -0.628 20 0 BBADLO CNC(=O)C[N@H+](C)CCNC(=O)NC(C)C ZINC000645775813 387900030 /nfs/dbraw/zinc/90/00/30/387900030.db2.gz RIIJSNGGZHQNLP-UHFFFAOYSA-N 1 2 230.312 -0.628 20 0 BBADLO CCNC(=O)C[N@@H+](C)CCNC(=O)NC(C)C ZINC000645778699 387904820 /nfs/dbraw/zinc/90/48/20/387904820.db2.gz RFXJLACMEVUWPI-UHFFFAOYSA-N 1 2 244.339 -0.238 20 0 BBADLO CCNC(=O)C[N@H+](C)CCNC(=O)NC(C)C ZINC000645778699 387904817 /nfs/dbraw/zinc/90/48/17/387904817.db2.gz RFXJLACMEVUWPI-UHFFFAOYSA-N 1 2 244.339 -0.238 20 0 BBADLO CC(C)NC(=O)NCC[N@H+]1CCOC[C@H]1CO ZINC000645892751 388027998 /nfs/dbraw/zinc/02/79/98/388027998.db2.gz PUIOWWDCNLDUAZ-SNVBAGLBSA-N 1 2 245.323 -0.613 20 0 BBADLO CC(C)NC(=O)NCC[N@@H+]1CCOC[C@H]1CO ZINC000645892751 388027995 /nfs/dbraw/zinc/02/79/95/388027995.db2.gz PUIOWWDCNLDUAZ-SNVBAGLBSA-N 1 2 245.323 -0.613 20 0 BBADLO NC(=O)CN1CC[N@@H+](CC2=CCCC2)CC1=O ZINC000645927578 388152898 /nfs/dbraw/zinc/15/28/98/388152898.db2.gz UNQNRTJBHCZECU-UHFFFAOYSA-N 1 2 237.303 -0.274 20 0 BBADLO NC(=O)CN1CC[N@H+](CC2=CCCC2)CC1=O ZINC000645927578 388152897 /nfs/dbraw/zinc/15/28/97/388152897.db2.gz UNQNRTJBHCZECU-UHFFFAOYSA-N 1 2 237.303 -0.274 20 0 BBADLO CNC(=O)C[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645936232 388252934 /nfs/dbraw/zinc/25/29/34/388252934.db2.gz NFLRLTNFKZNTTO-QMMMGPOBSA-N 1 2 233.262 -0.242 20 0 BBADLO CNC(=O)C[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645936232 388252931 /nfs/dbraw/zinc/25/29/31/388252931.db2.gz NFLRLTNFKZNTTO-QMMMGPOBSA-N 1 2 233.262 -0.242 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645936509 388252454 /nfs/dbraw/zinc/25/24/54/388252454.db2.gz AITLYRUESZHJGQ-SFYZADRCSA-N 1 2 233.262 -0.115 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645936509 388252453 /nfs/dbraw/zinc/25/24/53/388252453.db2.gz AITLYRUESZHJGQ-SFYZADRCSA-N 1 2 233.262 -0.115 20 0 BBADLO C[C@@H](C(N)=O)[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645936510 388252317 /nfs/dbraw/zinc/25/23/17/388252317.db2.gz AITLYRUESZHJGQ-YUMQZZPRSA-N 1 2 233.262 -0.115 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645936510 388252316 /nfs/dbraw/zinc/25/23/16/388252316.db2.gz AITLYRUESZHJGQ-YUMQZZPRSA-N 1 2 233.262 -0.115 20 0 BBADLO O=C1NCC[C@H]1[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645937713 388254087 /nfs/dbraw/zinc/25/40/87/388254087.db2.gz UIUAOMROSITMLW-DTWKUNHWSA-N 1 2 245.273 -0.100 20 0 BBADLO O=C1NCC[C@H]1[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645937713 388254086 /nfs/dbraw/zinc/25/40/86/388254086.db2.gz UIUAOMROSITMLW-DTWKUNHWSA-N 1 2 245.273 -0.100 20 0 BBADLO O=C1NCC[C@@H]1[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645937714 388253799 /nfs/dbraw/zinc/25/37/99/388253799.db2.gz UIUAOMROSITMLW-IUCAKERBSA-N 1 2 245.273 -0.100 20 0 BBADLO O=C1NCC[C@@H]1[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645937714 388253798 /nfs/dbraw/zinc/25/37/98/388253798.db2.gz UIUAOMROSITMLW-IUCAKERBSA-N 1 2 245.273 -0.100 20 0 BBADLO NC(=O)C[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645938781 388253090 /nfs/dbraw/zinc/25/30/90/388253090.db2.gz RWQYAVBLCXYJDN-ZETCQYMHSA-N 1 2 219.235 -0.503 20 0 BBADLO NC(=O)C[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645938781 388253089 /nfs/dbraw/zinc/25/30/89/388253089.db2.gz RWQYAVBLCXYJDN-ZETCQYMHSA-N 1 2 219.235 -0.503 20 0 BBADLO C[C@H](c1nncn1C)[NH+]1CC(C)(C(N)=O)C1 ZINC000645958873 388088896 /nfs/dbraw/zinc/08/88/96/388088896.db2.gz CUXOHHRSMKZWLD-SSDOTTSWSA-N 1 2 223.280 -0.317 20 0 BBADLO C[C@@H](c1nncn1C)[NH+]1CC(C)(C(N)=O)C1 ZINC000645958874 388088441 /nfs/dbraw/zinc/08/84/41/388088441.db2.gz CUXOHHRSMKZWLD-ZETCQYMHSA-N 1 2 223.280 -0.317 20 0 BBADLO CC[C@@H](C)NC(=O)C[N@@H+](C)CCNC(C)=O ZINC000646044722 388131141 /nfs/dbraw/zinc/13/11/41/388131141.db2.gz OTCPEKUYDPIKJY-SECBINFHSA-N 1 2 229.324 -0.031 20 0 BBADLO CC[C@@H](C)NC(=O)C[N@H+](C)CCNC(C)=O ZINC000646044722 388131139 /nfs/dbraw/zinc/13/11/39/388131139.db2.gz OTCPEKUYDPIKJY-SECBINFHSA-N 1 2 229.324 -0.031 20 0 BBADLO CC[C@H](C)NC(=O)C[N@@H+](C)CCNC(C)=O ZINC000646044723 388130559 /nfs/dbraw/zinc/13/05/59/388130559.db2.gz OTCPEKUYDPIKJY-VIFPVBQESA-N 1 2 229.324 -0.031 20 0 BBADLO CC[C@H](C)NC(=O)C[N@H+](C)CCNC(C)=O ZINC000646044723 388130556 /nfs/dbraw/zinc/13/05/56/388130556.db2.gz OTCPEKUYDPIKJY-VIFPVBQESA-N 1 2 229.324 -0.031 20 0 BBADLO CC(=O)NCC[N@H+](C)CC(=O)Nc1ccon1 ZINC000646044951 412163533 /nfs/dbraw/zinc/16/35/33/412163533.db2.gz GLBWCYQLLFFHGK-UHFFFAOYSA-N 1 2 240.263 -0.319 20 0 BBADLO CC(=O)NCC[N@@H+](C)CC(=O)Nc1ccon1 ZINC000646044951 412163528 /nfs/dbraw/zinc/16/35/28/412163528.db2.gz GLBWCYQLLFFHGK-UHFFFAOYSA-N 1 2 240.263 -0.319 20 0 BBADLO CC(=O)NCC[N@H+](C)CC(=O)N(C)CC1CC1 ZINC000646045546 388131843 /nfs/dbraw/zinc/13/18/43/388131843.db2.gz AYFNPKXQYVJZFM-UHFFFAOYSA-N 1 2 241.335 -0.077 20 0 BBADLO CC(=O)NCC[N@@H+](C)CC(=O)N(C)CC1CC1 ZINC000646045546 388131841 /nfs/dbraw/zinc/13/18/41/388131841.db2.gz AYFNPKXQYVJZFM-UHFFFAOYSA-N 1 2 241.335 -0.077 20 0 BBADLO CC(=O)NCCN(C)Cc1c[nH+]cn1C ZINC000646045702 388131769 /nfs/dbraw/zinc/13/17/69/388131769.db2.gz BWEHYSWWIKAXGV-UHFFFAOYSA-N 1 2 210.281 -0.012 20 0 BBADLO CC(=O)NCC[N@H+](C)Cc1cncn1C ZINC000646045702 388131768 /nfs/dbraw/zinc/13/17/68/388131768.db2.gz BWEHYSWWIKAXGV-UHFFFAOYSA-N 1 2 210.281 -0.012 20 0 BBADLO CC(=O)NCC[N@@H+](C)Cc1cncn1C ZINC000646045702 388131765 /nfs/dbraw/zinc/13/17/65/388131765.db2.gz BWEHYSWWIKAXGV-UHFFFAOYSA-N 1 2 210.281 -0.012 20 0 BBADLO N[C@H](C(=O)NCc1c[nH]c[nH+]1)C(F)(F)F ZINC000646046060 388131780 /nfs/dbraw/zinc/13/17/80/388131780.db2.gz FIQMGOMJNYEZAS-RXMQYKEDSA-N 1 2 222.170 -0.085 20 0 BBADLO N[C@H](C(=O)NCc1c[nH+]c[nH]1)C(F)(F)F ZINC000646046060 388131777 /nfs/dbraw/zinc/13/17/77/388131777.db2.gz FIQMGOMJNYEZAS-RXMQYKEDSA-N 1 2 222.170 -0.085 20 0 BBADLO N[C@@H](C(=O)NCc1c[nH]c[nH+]1)C(F)(F)F ZINC000646046061 388131466 /nfs/dbraw/zinc/13/14/66/388131466.db2.gz FIQMGOMJNYEZAS-YFKPBYRVSA-N 1 2 222.170 -0.085 20 0 BBADLO N[C@@H](C(=O)NCc1c[nH+]c[nH]1)C(F)(F)F ZINC000646046061 388131463 /nfs/dbraw/zinc/13/14/63/388131463.db2.gz FIQMGOMJNYEZAS-YFKPBYRVSA-N 1 2 222.170 -0.085 20 0 BBADLO C[C@H]1C(=O)N(C)CN1CC[NH+]1CCOCC1 ZINC000646124891 388147677 /nfs/dbraw/zinc/14/76/77/388147677.db2.gz YWPHVBBSXUDOSR-JTQLQIEISA-N 1 2 227.308 -0.561 20 0 BBADLO C[C@@H]1C(=O)N(C)CN1CC[NH+]1CCOCC1 ZINC000646124892 388147737 /nfs/dbraw/zinc/14/77/37/388147737.db2.gz YWPHVBBSXUDOSR-SNVBAGLBSA-N 1 2 227.308 -0.561 20 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1 2 241.335 -0.173 20 0 BBADLO C[C@H]1C(=O)N(C)CN1CC[N@H+]1CCO[C@H](C)C1 ZINC000646126493 388148237 /nfs/dbraw/zinc/14/82/37/388148237.db2.gz MEPQHDZJXHYJOX-MNOVXSKESA-N 1 2 241.335 -0.173 20 0 BBADLO C[C@H]1C(=O)N(C)CN1CC[N@@H+]1CCO[C@H](C)C1 ZINC000646126493 388148236 /nfs/dbraw/zinc/14/82/36/388148236.db2.gz MEPQHDZJXHYJOX-MNOVXSKESA-N 1 2 241.335 -0.173 20 0 BBADLO C[C@H]1C(=O)N(C)CN1CC[N@H+]1CCO[C@@H](C)C1 ZINC000646126494 388148452 /nfs/dbraw/zinc/14/84/52/388148452.db2.gz MEPQHDZJXHYJOX-QWRGUYRKSA-N 1 2 241.335 -0.173 20 0 BBADLO C[C@H]1C(=O)N(C)CN1CC[N@@H+]1CCO[C@@H](C)C1 ZINC000646126494 388148450 /nfs/dbraw/zinc/14/84/50/388148450.db2.gz MEPQHDZJXHYJOX-QWRGUYRKSA-N 1 2 241.335 -0.173 20 0 BBADLO C[C@@H]1C(=O)N(C)CN1CC[N@H+]1CCO[C@@H](C)C1 ZINC000646126495 388148008 /nfs/dbraw/zinc/14/80/08/388148008.db2.gz MEPQHDZJXHYJOX-WDEREUQCSA-N 1 2 241.335 -0.173 20 0 BBADLO C[C@@H]1C(=O)N(C)CN1CC[N@@H+]1CCO[C@@H](C)C1 ZINC000646126495 388148007 /nfs/dbraw/zinc/14/80/07/388148007.db2.gz MEPQHDZJXHYJOX-WDEREUQCSA-N 1 2 241.335 -0.173 20 0 BBADLO CC(C)[C@@H]([NH3+])C(=O)NCCCc1n[nH]c(=O)[nH]1 ZINC000646133781 388150825 /nfs/dbraw/zinc/15/08/25/388150825.db2.gz BKUPGMDLNMDBNY-MRVPVSSYSA-N 1 2 241.295 -0.458 20 0 BBADLO CC1(C(=O)NCCCc2n[nH]c(=O)[nH]2)C[NH2+]C1 ZINC000646133814 388150779 /nfs/dbraw/zinc/15/07/79/388150779.db2.gz CLOFJLRNJKHXET-UHFFFAOYSA-N 1 2 239.279 -0.831 20 0 BBADLO CC(C)([NH3+])CC(=O)NCCCc1n[nH]c(=O)[nH]1 ZINC000646134133 388151525 /nfs/dbraw/zinc/15/15/25/388151525.db2.gz OBAPUPYYSRFBNH-UHFFFAOYSA-N 1 2 241.295 -0.314 20 0 BBADLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1nnnn1C ZINC000646142210 388155926 /nfs/dbraw/zinc/15/59/26/388155926.db2.gz BNPHRKCDIHXGRP-HTQZYQBOSA-N 1 2 211.269 -0.445 20 0 BBADLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1nnnn1C ZINC000646142210 388155924 /nfs/dbraw/zinc/15/59/24/388155924.db2.gz BNPHRKCDIHXGRP-HTQZYQBOSA-N 1 2 211.269 -0.445 20 0 BBADLO CCC[NH2+][C@@H](C)C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000646142411 388155920 /nfs/dbraw/zinc/15/59/20/388155920.db2.gz OOQXGDRBTUIOPG-LURJTMIESA-N 1 2 227.268 -0.485 20 0 BBADLO CCC[NH2+][C@H](C)C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000646142414 388155820 /nfs/dbraw/zinc/15/58/20/388155820.db2.gz OOQXGDRBTUIOPG-ZCFIWIBFSA-N 1 2 227.268 -0.485 20 0 BBADLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000646144303 388156417 /nfs/dbraw/zinc/15/64/17/388156417.db2.gz KMHDTVJKXXEVSB-RNFRBKRXSA-N 1 2 212.253 -0.145 20 0 BBADLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000646144303 388156414 /nfs/dbraw/zinc/15/64/14/388156414.db2.gz KMHDTVJKXXEVSB-RNFRBKRXSA-N 1 2 212.253 -0.145 20 0 BBADLO [NH3+]CCOCC(=O)Nc1ccc2nn[nH]c2c1 ZINC000646171514 388159732 /nfs/dbraw/zinc/15/97/32/388159732.db2.gz PDSWNLYSQJDFFG-UHFFFAOYSA-N 1 2 235.247 -0.128 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)N2Cc3c[nH]nc3C2)C1 ZINC000646346275 388335111 /nfs/dbraw/zinc/33/51/11/388335111.db2.gz QRSCJELNYNXMMS-JTQLQIEISA-N 1 2 236.275 -0.418 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)N2Cc3c[nH]nc3C2)C1 ZINC000646346275 388335110 /nfs/dbraw/zinc/33/51/10/388335110.db2.gz QRSCJELNYNXMMS-JTQLQIEISA-N 1 2 236.275 -0.418 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)N2Cc3c[nH]nc3C2)C1 ZINC000646346276 388335259 /nfs/dbraw/zinc/33/52/59/388335259.db2.gz QRSCJELNYNXMMS-SNVBAGLBSA-N 1 2 236.275 -0.418 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)N2Cc3c[nH]nc3C2)C1 ZINC000646346276 388335258 /nfs/dbraw/zinc/33/52/58/388335258.db2.gz QRSCJELNYNXMMS-SNVBAGLBSA-N 1 2 236.275 -0.418 20 0 BBADLO CCC[NH2+][C@H](C)C(=O)N=c1nc(C)[nH]n1C ZINC000646540751 388378893 /nfs/dbraw/zinc/37/88/93/388378893.db2.gz BLKUSEQQGZIIED-SSDOTTSWSA-N 1 2 225.296 -0.128 20 0 BBADLO CCC[NH2+][C@@H](C)C(=O)N=c1nc(C)[nH]n1C ZINC000646540752 388378486 /nfs/dbraw/zinc/37/84/86/388378486.db2.gz BLKUSEQQGZIIED-ZETCQYMHSA-N 1 2 225.296 -0.128 20 0 BBADLO Cc1nc(=NC(=O)C[NH2+]CC2CC2)n(C)[nH]1 ZINC000646540788 388378889 /nfs/dbraw/zinc/37/88/89/388378889.db2.gz FLRUIPCZIXZQBY-UHFFFAOYSA-N 1 2 223.280 -0.516 20 0 BBADLO CC(C)NC(=O)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000646590691 388392016 /nfs/dbraw/zinc/39/20/16/388392016.db2.gz ZUHKTRRVXJBYIR-UHFFFAOYSA-N 1 2 241.335 -0.031 20 0 BBADLO O=C(Cn1cc[nH+]c1)N1CCO[C@H]2C[C@H]21 ZINC000646729059 388437748 /nfs/dbraw/zinc/43/77/48/388437748.db2.gz XCTGBCIDQYCTPT-BDAKNGLRSA-N 1 2 207.233 -0.117 20 0 BBADLO O=C(Cn1cc[nH+]c1)N1CCO[C@@H]2C[C@@H]21 ZINC000646729060 388437764 /nfs/dbraw/zinc/43/77/64/388437764.db2.gz XCTGBCIDQYCTPT-DTWKUNHWSA-N 1 2 207.233 -0.117 20 0 BBADLO Cn1c[nH+]cc1CC(=O)N1CCO[C@@H]2C[C@@H]21 ZINC000646731124 388441393 /nfs/dbraw/zinc/44/13/93/388441393.db2.gz ANKSRWYOIQTFJQ-VHSXEESVSA-N 1 2 221.260 -0.038 20 0 BBADLO Cn1c[nH+]cc1CC(=O)N1CCO[C@H]2C[C@H]21 ZINC000646731125 388441224 /nfs/dbraw/zinc/44/12/24/388441224.db2.gz ANKSRWYOIQTFJQ-ZJUUUORDSA-N 1 2 221.260 -0.038 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[C@@H]32)C1 ZINC000646740987 388450465 /nfs/dbraw/zinc/45/04/65/388450465.db2.gz TWZBBIPLJYEWNS-AEJSXWLSSA-N 1 2 226.276 -0.683 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[C@@H]32)C1 ZINC000646740987 388450462 /nfs/dbraw/zinc/45/04/62/388450462.db2.gz TWZBBIPLJYEWNS-AEJSXWLSSA-N 1 2 226.276 -0.683 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)N2CCO[C@H]3C[C@H]32)C1 ZINC000646740990 388450767 /nfs/dbraw/zinc/45/07/67/388450767.db2.gz TWZBBIPLJYEWNS-UTLUCORTSA-N 1 2 226.276 -0.683 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@H]3C[C@H]32)C1 ZINC000646740990 388450765 /nfs/dbraw/zinc/45/07/65/388450765.db2.gz TWZBBIPLJYEWNS-UTLUCORTSA-N 1 2 226.276 -0.683 20 0 BBADLO O=C(Cn1cc[nH+]c1)NC1COCCOC1 ZINC000646800328 388511468 /nfs/dbraw/zinc/51/14/68/388511468.db2.gz COCBFNGMWMPPSP-UHFFFAOYSA-N 1 2 225.248 -0.585 20 0 BBADLO Cc1[nH]c(C(=O)NC2COCCOC2)c[nH+]1 ZINC000646800388 388511531 /nfs/dbraw/zinc/51/15/31/388511531.db2.gz GXKSPRGFJZHYMX-UHFFFAOYSA-N 1 2 225.248 -0.137 20 0 BBADLO O=C(CCn1cc[nH+]c1)NC1COCCOC1 ZINC000646802011 388516843 /nfs/dbraw/zinc/51/68/43/388516843.db2.gz XEIAXSZYGDFKFQ-UHFFFAOYSA-N 1 2 239.275 -0.195 20 0 BBADLO Cc1[nH]c[nH+]c1CC(=O)NC1COCCOC1 ZINC000646805391 388535846 /nfs/dbraw/zinc/53/58/46/388535846.db2.gz VTSPSIWDYWSBFP-UHFFFAOYSA-N 1 2 239.275 -0.208 20 0 BBADLO Cn1[nH]cnc1=NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000646907380 385053476 /nfs/dbraw/zinc/05/34/76/385053476.db2.gz HZUWWQZJVZJBSE-UHFFFAOYSA-N 1 2 234.263 -0.124 20 0 BBADLO Cn1[nH]cnc1=NC(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000646907380 385053475 /nfs/dbraw/zinc/05/34/75/385053475.db2.gz HZUWWQZJVZJBSE-UHFFFAOYSA-N 1 2 234.263 -0.124 20 0 BBADLO Cn1nnnc1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000646960517 385088747 /nfs/dbraw/zinc/08/87/47/385088747.db2.gz BAIRJNCJPMRYTJ-UHFFFAOYSA-N 1 2 238.295 -0.832 20 0 BBADLO COc1cc[nH+]cc1CNC(=O)Cn1cncn1 ZINC000647068904 385214852 /nfs/dbraw/zinc/21/48/52/385214852.db2.gz KKAJSIVIXYQPHU-UHFFFAOYSA-N 1 2 247.258 -0.002 20 0 BBADLO COc1cc[nH+]cc1CNC(=O)C1(C(N)=O)CC1 ZINC000647069241 385215402 /nfs/dbraw/zinc/21/54/02/385215402.db2.gz LOLWOYXZVQIKSB-UHFFFAOYSA-N 1 2 249.270 -0.028 20 0 BBADLO COc1ncncc1C[NH2+]CC(=O)N(C)C ZINC000647167993 644838376 /nfs/dbraw/zinc/83/83/76/644838376.db2.gz BEAYKYRDYOSHLO-UHFFFAOYSA-N 1 2 224.264 -0.337 20 0 BBADLO CCNC(=O)C[NH2+]Cc1cncnc1OC ZINC000647168045 711519496 /nfs/dbraw/zinc/51/94/96/711519496.db2.gz DHLMLMUXBIIVMA-UHFFFAOYSA-N 1 2 224.264 -0.289 20 0 BBADLO COc1ncncc1C[NH2+]CC(=O)NC1CC1 ZINC000647170255 398240918 /nfs/dbraw/zinc/24/09/18/398240918.db2.gz RMODQSASQHBFNW-UHFFFAOYSA-N 1 2 236.275 -0.147 20 0 BBADLO NC(=O)[C@H]1C[N@@H+](Cc2ccc(N)nc2)CCO1 ZINC000647515331 411977019 /nfs/dbraw/zinc/97/70/19/411977019.db2.gz ZOOVOLZGDABZQM-SECBINFHSA-N 1 2 236.275 -0.650 20 0 BBADLO NC(=O)[C@H]1C[N@H+](Cc2ccc(N)nc2)CCO1 ZINC000647515331 411977017 /nfs/dbraw/zinc/97/70/17/411977017.db2.gz ZOOVOLZGDABZQM-SECBINFHSA-N 1 2 236.275 -0.650 20 0 BBADLO NC(=O)[C@@H]1C[N@@H+](Cc2ccc(N)nc2)CCO1 ZINC000647515338 411975971 /nfs/dbraw/zinc/97/59/71/411975971.db2.gz ZOOVOLZGDABZQM-VIFPVBQESA-N 1 2 236.275 -0.650 20 0 BBADLO NC(=O)[C@@H]1C[N@H+](Cc2ccc(N)nc2)CCO1 ZINC000647515338 411975966 /nfs/dbraw/zinc/97/59/66/411975966.db2.gz ZOOVOLZGDABZQM-VIFPVBQESA-N 1 2 236.275 -0.650 20 0 BBADLO CNC(=O)N1CC[NH+](Cc2ccc(N)nc2)CC1 ZINC000647517551 411899284 /nfs/dbraw/zinc/89/92/84/411899284.db2.gz WUFITPVDQJEXEY-UHFFFAOYSA-N 1 2 249.318 0.121 20 0 BBADLO COC[C@@H](O)C[NH2+][C@@H](CCO)C(F)F ZINC000647536353 384650170 /nfs/dbraw/zinc/65/01/70/384650170.db2.gz ADAZWWBGBLEVOD-BQBZGAKWSA-N 1 2 213.224 -0.401 20 0 BBADLO COC[C@@H](O)C[NH2+][C@H](CCO)C(F)F ZINC000647536354 384648602 /nfs/dbraw/zinc/64/86/02/384648602.db2.gz ADAZWWBGBLEVOD-NKWVEPMBSA-N 1 2 213.224 -0.401 20 0 BBADLO Cc1n[nH]c(C(=O)N[C@@H](CO)C[NH+](C)C)c1C ZINC000647710669 397973943 /nfs/dbraw/zinc/97/39/43/397973943.db2.gz JHEOBZUHRPYJDC-SECBINFHSA-N 1 2 240.307 -0.321 20 0 BBADLO Cc1n[nH]c(C(=O)N[C@H](CO)C[NH+](C)C)c1C ZINC000647710670 397973908 /nfs/dbraw/zinc/97/39/08/397973908.db2.gz JHEOBZUHRPYJDC-VIFPVBQESA-N 1 2 240.307 -0.321 20 0 BBADLO Cc1[nH]c(C(=O)NCCc2nc(N)n[nH]2)c[nH+]1 ZINC000647751998 411983415 /nfs/dbraw/zinc/98/34/15/411983415.db2.gz OTBDZOFEYQXRRY-UHFFFAOYSA-N 1 2 235.251 -0.609 20 0 BBADLO NC(=O)C1(C(=O)Nc2ccc(N)[nH+]c2)CC1 ZINC000647755891 411974549 /nfs/dbraw/zinc/97/45/49/411974549.db2.gz NIJOHQFIHUKOQU-UHFFFAOYSA-N 1 2 220.232 -0.132 20 0 BBADLO C[C@@H](NC(=O)CN1CCOCC1)c1[nH]cc[nH+]1 ZINC000647808744 385866294 /nfs/dbraw/zinc/86/62/94/385866294.db2.gz FDDGPCDXAGTTNZ-SECBINFHSA-N 1 2 238.291 -0.081 20 0 BBADLO Cc1nc(NCCc2nc(N)n[nH]2)cc[nH+]1 ZINC000647842825 411914971 /nfs/dbraw/zinc/91/49/71/411914971.db2.gz MUXNJLHIZLVQHB-UHFFFAOYSA-N 1 2 219.252 -0.438 20 0 BBADLO COCCNc1nc[nH+]c2c1OCCN2 ZINC000647843916 385892960 /nfs/dbraw/zinc/89/29/60/385892960.db2.gz KWPZEHZYDPKBIX-UHFFFAOYSA-N 1 2 210.237 -0.548 20 0 BBADLO COCCNc1[nH+]cnc2c1OCCN2 ZINC000647843916 385892957 /nfs/dbraw/zinc/89/29/57/385892957.db2.gz KWPZEHZYDPKBIX-UHFFFAOYSA-N 1 2 210.237 -0.548 20 0 BBADLO OCCCNc1nc[nH+]c2c1OCCN2 ZINC000647845014 385896925 /nfs/dbraw/zinc/89/69/25/385896925.db2.gz IWCDSDLPMCTSKY-UHFFFAOYSA-N 1 2 210.237 -0.812 20 0 BBADLO OCCCNc1[nH+]cnc2c1OCCN2 ZINC000647845014 385896921 /nfs/dbraw/zinc/89/69/21/385896921.db2.gz IWCDSDLPMCTSKY-UHFFFAOYSA-N 1 2 210.237 -0.812 20 0 BBADLO Cn1[nH]cnc1=NCCCn1cc[nH+]c1 ZINC000647845207 385896943 /nfs/dbraw/zinc/89/69/43/385896943.db2.gz VOIWCTXFAYOGCC-UHFFFAOYSA-N 1 2 206.253 -0.064 20 0 BBADLO COCCCNc1nc[nH+]c2c1OCCN2 ZINC000647845221 385897009 /nfs/dbraw/zinc/89/70/09/385897009.db2.gz VWLVDIXTXPDKIA-UHFFFAOYSA-N 1 2 224.264 -0.158 20 0 BBADLO COCCCNc1[nH+]cnc2c1OCCN2 ZINC000647845221 385897004 /nfs/dbraw/zinc/89/70/04/385897004.db2.gz VWLVDIXTXPDKIA-UHFFFAOYSA-N 1 2 224.264 -0.158 20 0 BBADLO C[C@H](O)CNc1[nH+]cnc2c1OCCN2 ZINC000647845490 412249201 /nfs/dbraw/zinc/24/92/01/412249201.db2.gz MHMZKQOHSNSELJ-LURJTMIESA-N 1 2 210.237 0.074 20 0 BBADLO C[C@H](O)CNc1nc[nH+]c2c1OCCN2 ZINC000647845490 412249199 /nfs/dbraw/zinc/24/91/99/412249199.db2.gz MHMZKQOHSNSELJ-LURJTMIESA-N 1 2 210.237 0.074 20 0 BBADLO C[C@@H](O)CNc1[nH+]cnc2c1OCCN2 ZINC000647845491 411832046 /nfs/dbraw/zinc/83/20/46/411832046.db2.gz MHMZKQOHSNSELJ-ZCFIWIBFSA-N 1 2 210.237 0.074 20 0 BBADLO C[C@@H](O)CNc1nc[nH+]c2c1OCCN2 ZINC000647845491 411832044 /nfs/dbraw/zinc/83/20/44/411832044.db2.gz MHMZKQOHSNSELJ-ZCFIWIBFSA-N 1 2 210.237 0.074 20 0 BBADLO O=C1CN(c2[nH+]cnc3c2OCCN3)CCN1 ZINC000647846568 385905596 /nfs/dbraw/zinc/90/55/96/385905596.db2.gz JXIDRVOLVCPAMR-UHFFFAOYSA-N 1 2 235.247 -0.783 20 0 BBADLO O=C1CN(c2nc[nH+]c3c2OCCN3)CCN1 ZINC000647846568 385905593 /nfs/dbraw/zinc/90/55/93/385905593.db2.gz JXIDRVOLVCPAMR-UHFFFAOYSA-N 1 2 235.247 -0.783 20 0 BBADLO CN(CC(N)=O)c1[nH+]cnc2c1OCCN2 ZINC000647856587 385907510 /nfs/dbraw/zinc/90/75/10/385907510.db2.gz KCGDQNGNIDZQMZ-UHFFFAOYSA-N 1 2 223.236 -0.798 20 0 BBADLO CN(CC(N)=O)c1nc[nH+]c2c1OCCN2 ZINC000647856587 385907507 /nfs/dbraw/zinc/90/75/07/385907507.db2.gz KCGDQNGNIDZQMZ-UHFFFAOYSA-N 1 2 223.236 -0.798 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)N=c1nc[nH]n1C ZINC000647856837 385906737 /nfs/dbraw/zinc/90/67/37/385906737.db2.gz SZPQJCWSQHOPTQ-SECBINFHSA-N 1 2 225.296 -0.630 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)N=c1nc[nH]n1C ZINC000647856838 385906933 /nfs/dbraw/zinc/90/69/33/385906933.db2.gz SZPQJCWSQHOPTQ-VIFPVBQESA-N 1 2 225.296 -0.630 20 0 BBADLO Cc1c[nH+]c(C)nc1NCCS(N)(=O)=O ZINC000647857116 411735340 /nfs/dbraw/zinc/73/53/40/411735340.db2.gz BIOODZHEHGCMII-UHFFFAOYSA-N 1 2 230.293 -0.206 20 0 BBADLO CCOCCNc1nc[nH+]c2c1OCCN2 ZINC000647857255 385906988 /nfs/dbraw/zinc/90/69/88/385906988.db2.gz IPUJSBRKMMKZTO-UHFFFAOYSA-N 1 2 224.264 -0.158 20 0 BBADLO CCOCCNc1[nH+]cnc2c1OCCN2 ZINC000647857255 385906983 /nfs/dbraw/zinc/90/69/83/385906983.db2.gz IPUJSBRKMMKZTO-UHFFFAOYSA-N 1 2 224.264 -0.158 20 0 BBADLO O=C1NCCC[C@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000647861326 385918580 /nfs/dbraw/zinc/91/85/80/385918580.db2.gz XJEIIRVQIOTTHA-SSDOTTSWSA-N 1 2 249.274 -0.029 20 0 BBADLO O=C1NCCC[C@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000647861326 385918576 /nfs/dbraw/zinc/91/85/76/385918576.db2.gz XJEIIRVQIOTTHA-SSDOTTSWSA-N 1 2 249.274 -0.029 20 0 BBADLO O=C1NCCC[C@@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000647861327 385918301 /nfs/dbraw/zinc/91/83/01/385918301.db2.gz XJEIIRVQIOTTHA-ZETCQYMHSA-N 1 2 249.274 -0.029 20 0 BBADLO O=C1NCCC[C@@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000647861327 385918298 /nfs/dbraw/zinc/91/82/98/385918298.db2.gz XJEIIRVQIOTTHA-ZETCQYMHSA-N 1 2 249.274 -0.029 20 0 BBADLO O[C@H](CNc1[nH+]cnc2c1OCCN2)C1CC1 ZINC000647866075 411695571 /nfs/dbraw/zinc/69/55/71/411695571.db2.gz CPMFJDFRPUKOFL-MRVPVSSYSA-N 1 2 236.275 0.464 20 0 BBADLO O[C@H](CNc1nc[nH+]c2c1OCCN2)C1CC1 ZINC000647866075 411695568 /nfs/dbraw/zinc/69/55/68/411695568.db2.gz CPMFJDFRPUKOFL-MRVPVSSYSA-N 1 2 236.275 0.464 20 0 BBADLO O[C@@H](CNc1[nH+]cnc2c1OCCN2)C1CC1 ZINC000647866076 411692773 /nfs/dbraw/zinc/69/27/73/411692773.db2.gz CPMFJDFRPUKOFL-QMMMGPOBSA-N 1 2 236.275 0.464 20 0 BBADLO O[C@@H](CNc1nc[nH+]c2c1OCCN2)C1CC1 ZINC000647866076 411692769 /nfs/dbraw/zinc/69/27/69/411692769.db2.gz CPMFJDFRPUKOFL-QMMMGPOBSA-N 1 2 236.275 0.464 20 0 BBADLO CN(CC[NH+]1CCOCC1)c1ncnn1C ZINC000647866289 386004774 /nfs/dbraw/zinc/00/47/74/386004774.db2.gz MPTQNQOPVRRZMX-UHFFFAOYSA-N 1 2 225.296 -0.417 20 0 BBADLO O[C@@H]1CCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000647866722 386014801 /nfs/dbraw/zinc/01/48/01/386014801.db2.gz HTBJIQYIARNHPK-SSDOTTSWSA-N 1 2 222.248 -0.148 20 0 BBADLO O[C@@H]1CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000647866722 386014797 /nfs/dbraw/zinc/01/47/97/386014797.db2.gz HTBJIQYIARNHPK-SSDOTTSWSA-N 1 2 222.248 -0.148 20 0 BBADLO O[C@H]1CCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000647866723 386014119 /nfs/dbraw/zinc/01/41/19/386014119.db2.gz HTBJIQYIARNHPK-ZETCQYMHSA-N 1 2 222.248 -0.148 20 0 BBADLO O[C@H]1CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000647866723 386014114 /nfs/dbraw/zinc/01/41/14/386014114.db2.gz HTBJIQYIARNHPK-ZETCQYMHSA-N 1 2 222.248 -0.148 20 0 BBADLO NC(=O)[C@@H]1CCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000647866932 385972656 /nfs/dbraw/zinc/97/26/56/385972656.db2.gz RDXZIKOUHYQBOS-SSDOTTSWSA-N 1 2 249.274 -0.408 20 0 BBADLO NC(=O)[C@@H]1CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000647866932 385972650 /nfs/dbraw/zinc/97/26/50/385972650.db2.gz RDXZIKOUHYQBOS-SSDOTTSWSA-N 1 2 249.274 -0.408 20 0 BBADLO NC(=O)[C@H]1CCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000647866933 385971788 /nfs/dbraw/zinc/97/17/88/385971788.db2.gz RDXZIKOUHYQBOS-ZETCQYMHSA-N 1 2 249.274 -0.408 20 0 BBADLO NC(=O)[C@H]1CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000647866933 385971785 /nfs/dbraw/zinc/97/17/85/385971785.db2.gz RDXZIKOUHYQBOS-ZETCQYMHSA-N 1 2 249.274 -0.408 20 0 BBADLO C[C@@H]1C(=O)NCCN1c1[nH+]cnc2c1OCCN2 ZINC000647870993 386101387 /nfs/dbraw/zinc/10/13/87/386101387.db2.gz LUMMKMQEUGCHSW-SSDOTTSWSA-N 1 2 249.274 -0.394 20 0 BBADLO C[C@@H]1C(=O)NCCN1c1nc[nH+]c2c1OCCN2 ZINC000647870993 386101382 /nfs/dbraw/zinc/10/13/82/386101382.db2.gz LUMMKMQEUGCHSW-SSDOTTSWSA-N 1 2 249.274 -0.394 20 0 BBADLO C[C@H]1C(=O)NCCN1c1[nH+]cnc2c1OCCN2 ZINC000647870994 386100859 /nfs/dbraw/zinc/10/08/59/386100859.db2.gz LUMMKMQEUGCHSW-ZETCQYMHSA-N 1 2 249.274 -0.394 20 0 BBADLO C[C@H]1C(=O)NCCN1c1nc[nH+]c2c1OCCN2 ZINC000647870994 386100850 /nfs/dbraw/zinc/10/08/50/386100850.db2.gz LUMMKMQEUGCHSW-ZETCQYMHSA-N 1 2 249.274 -0.394 20 0 BBADLO CS(=O)(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000647887945 386339663 /nfs/dbraw/zinc/33/96/63/386339663.db2.gz WFNUHYYEYFGRLA-UHFFFAOYSA-N 1 2 234.321 -0.790 20 0 BBADLO Nc1cc(N)[nH+]c(SCCc2c[nH]nn2)n1 ZINC000647914955 411278994 /nfs/dbraw/zinc/27/89/94/411278994.db2.gz BTMBVNYUECZONZ-UHFFFAOYSA-N 1 2 237.292 0.094 20 0 BBADLO CN1CC[C@H](N2CCc3[nH+]c[nH]c3C2)C1=O ZINC000647933242 386336007 /nfs/dbraw/zinc/33/60/07/386336007.db2.gz HFDGUSVCMJFWFI-JTQLQIEISA-N 1 2 220.276 -0.002 20 0 BBADLO CN1CC[C@@H](N2CCc3[nH+]c[nH]c3C2)C1=O ZINC000647933243 386335457 /nfs/dbraw/zinc/33/54/57/386335457.db2.gz HFDGUSVCMJFWFI-SNVBAGLBSA-N 1 2 220.276 -0.002 20 0 BBADLO CN(C)C(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000647934027 386428570 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386746116 /nfs/dbraw/zinc/74/61/16/386746116.db2.gz KLNHZMFBLIJERQ-SNVBAGLBSA-N 1 2 237.307 -0.196 20 0 BBADLO CC(C)[C@@H]1C(=O)NCC[N@H+]1CCc1c[nH]nn1 ZINC000647963172 386746111 /nfs/dbraw/zinc/74/61/11/386746111.db2.gz KLNHZMFBLIJERQ-SNVBAGLBSA-N 1 2 237.307 -0.196 20 0 BBADLO CNC(=O)[C@@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000647964029 487827574 /nfs/dbraw/zinc/82/75/74/487827574.db2.gz NWIJDOVHYJIJGW-SECBINFHSA-N 1 2 237.307 -0.195 20 0 BBADLO CNC(=O)[C@@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000647964029 487827566 /nfs/dbraw/zinc/82/75/66/487827566.db2.gz NWIJDOVHYJIJGW-SECBINFHSA-N 1 2 237.307 -0.195 20 0 BBADLO CNC(=O)[C@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000647964030 487827247 /nfs/dbraw/zinc/82/72/47/487827247.db2.gz NWIJDOVHYJIJGW-VIFPVBQESA-N 1 2 237.307 -0.195 20 0 BBADLO CNC(=O)[C@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000647964030 487827243 /nfs/dbraw/zinc/82/72/43/487827243.db2.gz NWIJDOVHYJIJGW-VIFPVBQESA-N 1 2 237.307 -0.195 20 0 BBADLO COC[C@@H]1C[N@@H+](CCc2cn[nH]n2)CCO1 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386748382 /nfs/dbraw/zinc/74/83/82/386748382.db2.gz JIQRCVXKUQOHMT-SNVBAGLBSA-N 1 2 226.280 -0.306 20 0 BBADLO COC[C@H]1C[N@H+](CCc2c[nH]nn2)CCO1 ZINC000647965150 386748377 /nfs/dbraw/zinc/74/83/77/386748377.db2.gz JIQRCVXKUQOHMT-SNVBAGLBSA-N 1 2 226.280 -0.306 20 0 BBADLO CN1CC[N@@H+](CCc2cn[nH]n2)C(C)(C)C1=O ZINC000647966388 387004497 /nfs/dbraw/zinc/00/44/97/387004497.db2.gz QNVKGLDNOOXDTI-UHFFFAOYSA-N 1 2 237.307 -0.100 20 0 BBADLO CN1CC[N@H+](CCc2cn[nH]n2)C(C)(C)C1=O ZINC000647966388 387004491 /nfs/dbraw/zinc/00/44/91/387004491.db2.gz QNVKGLDNOOXDTI-UHFFFAOYSA-N 1 2 237.307 -0.100 20 0 BBADLO CN1CC[N@@H+](CCc2c[nH]nn2)C(C)(C)C1=O ZINC000647966388 387004490 /nfs/dbraw/zinc/00/44/90/387004490.db2.gz QNVKGLDNOOXDTI-UHFFFAOYSA-N 1 2 237.307 -0.100 20 0 BBADLO CN1CC[N@H+](CCc2c[nH]nn2)C(C)(C)C1=O ZINC000647966388 387004486 /nfs/dbraw/zinc/00/44/86/387004486.db2.gz QNVKGLDNOOXDTI-UHFFFAOYSA-N 1 2 237.307 -0.100 20 0 BBADLO CNC(=O)[C@@H]1CCCC[N@H+]1CCc1c[nH]nn1 ZINC000647967061 385981330 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/nfs/dbraw/zinc/02/76/25/387027625.db2.gz CGKRWLQWXKFXJF-ZJUUUORDSA-N 1 2 239.275 -0.587 20 0 BBADLO COc1ncncc1C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000648023433 387027622 /nfs/dbraw/zinc/02/76/22/387027622.db2.gz CGKRWLQWXKFXJF-ZJUUUORDSA-N 1 2 239.275 -0.587 20 0 BBADLO COc1ncncc1C[NH2+]C1(C(N)=O)CC1 ZINC000648023509 387028269 /nfs/dbraw/zinc/02/82/69/387028269.db2.gz JFLQLFRRWADKGO-UHFFFAOYSA-N 1 2 222.248 -0.407 20 0 BBADLO COc1ncncc1C[NH2+][C@H](C)C(N)=O ZINC000648028823 387044564 /nfs/dbraw/zinc/04/45/64/387044564.db2.gz HORCPXWFIBYXQI-ZCFIWIBFSA-N 1 2 210.237 -0.551 20 0 BBADLO COc1ncncc1C[N@@H+](C)CCOCCO ZINC000648031842 387053876 /nfs/dbraw/zinc/05/38/76/387053876.db2.gz JCUDPCJGSLBCNN-UHFFFAOYSA-N 1 2 241.291 -0.074 20 0 BBADLO COc1ncncc1C[N@H+](C)CCOCCO ZINC000648031842 387053871 /nfs/dbraw/zinc/05/38/71/387053871.db2.gz JCUDPCJGSLBCNN-UHFFFAOYSA-N 1 2 241.291 -0.074 20 0 BBADLO COc1ncncc1C[N@H+]1CCOC[C@@H](O)C1 ZINC000648039820 386461983 /nfs/dbraw/zinc/46/19/83/386461983.db2.gz VYRNPBRNYSZLLE-JTQLQIEISA-N 1 2 239.275 -0.322 20 0 BBADLO COc1ncncc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000648039820 386461976 /nfs/dbraw/zinc/46/19/76/386461976.db2.gz VYRNPBRNYSZLLE-JTQLQIEISA-N 1 2 239.275 -0.322 20 0 BBADLO COc1ncncc1C[N@H+]1CCOC[C@H](O)C1 ZINC000648039821 386463854 /nfs/dbraw/zinc/46/38/54/386463854.db2.gz VYRNPBRNYSZLLE-SNVBAGLBSA-N 1 2 239.275 -0.322 20 0 BBADLO COc1ncncc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000648039821 386463851 /nfs/dbraw/zinc/46/38/51/386463851.db2.gz VYRNPBRNYSZLLE-SNVBAGLBSA-N 1 2 239.275 -0.322 20 0 BBADLO COc1ncncc1C[N@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000648041375 386469167 /nfs/dbraw/zinc/46/91/67/386469167.db2.gz QLIJPIVLIBQGFZ-NXEZZACHSA-N 1 2 239.275 -0.323 20 0 BBADLO COc1ncncc1C[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000648041375 386469165 /nfs/dbraw/zinc/46/91/65/386469165.db2.gz QLIJPIVLIBQGFZ-NXEZZACHSA-N 1 2 239.275 -0.323 20 0 BBADLO COc1ncncc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000648041423 386470083 /nfs/dbraw/zinc/47/00/83/386470083.db2.gz RMODQXKAYGKHKL-SECBINFHSA-N 1 2 236.275 -0.065 20 0 BBADLO COc1ncncc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000648041423 386470080 /nfs/dbraw/zinc/47/00/80/386470080.db2.gz RMODQXKAYGKHKL-SECBINFHSA-N 1 2 236.275 -0.065 20 0 BBADLO CNC(=O)C1C[NH+](Cc2cncnc2OC)C1 ZINC000648042518 386479054 /nfs/dbraw/zinc/47/90/54/386479054.db2.gz FXEACDQHUVQGJA-UHFFFAOYSA-N 1 2 236.275 -0.337 20 0 BBADLO CC1(C(N)=O)C[NH+](Cc2cncnc2)C1 ZINC000648050516 386583775 /nfs/dbraw/zinc/58/37/75/386583775.db2.gz XZNBLMHRWHELHN-UHFFFAOYSA-N 1 2 206.249 -0.216 20 0 BBADLO COc1ncncc1C[NH+]1CC(C)(C(N)=O)C1 ZINC000648050630 386590662 /nfs/dbraw/zinc/59/06/62/386590662.db2.gz PAAUPAHWFPSASY-UHFFFAOYSA-N 1 2 236.275 -0.208 20 0 BBADLO Cc1cc(CNC(=O)[C@@H]2COCC[NH2+]2)n[nH]1 ZINC000648079711 387507816 /nfs/dbraw/zinc/50/78/16/387507816.db2.gz MILIBWNXTNYCPJ-VIFPVBQESA-N 1 2 224.264 -0.677 20 0 BBADLO O=C(CO)N1CC(Oc2cc[nH+]cc2)C1 ZINC000648256676 384834969 /nfs/dbraw/zinc/83/49/69/384834969.db2.gz NORBFIGGEHWCDN-UHFFFAOYSA-N 1 2 208.217 -0.337 20 0 BBADLO COC1(C(=O)NC[C@H]2C[NH+]3CCN2CC3)CC1 ZINC000648331704 385221872 /nfs/dbraw/zinc/22/18/72/385221872.db2.gz KOKNKOLSFZIYDC-JTQLQIEISA-N 1 2 239.319 -0.719 20 0 BBADLO COC1(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CC1 ZINC000648331705 385221681 /nfs/dbraw/zinc/22/16/81/385221681.db2.gz KOKNKOLSFZIYDC-SNVBAGLBSA-N 1 2 239.319 -0.719 20 0 BBADLO CO[C@@H]1COC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000648561684 387311352 /nfs/dbraw/zinc/31/13/52/387311352.db2.gz VVDSTAZEYWRBQD-NXEZZACHSA-N 1 2 239.275 -0.197 20 0 BBADLO C[C@@H]1C(=O)N(C)CN1C(=O)CCn1cc[nH+]c1 ZINC000648642408 387269588 /nfs/dbraw/zinc/26/95/88/387269588.db2.gz BNZVKQFLKWBHPD-SECBINFHSA-N 1 2 236.275 -0.080 20 0 BBADLO C[C@H]1C(=O)N(C)CN1C(=O)CCn1cc[nH+]c1 ZINC000648642409 387270037 /nfs/dbraw/zinc/27/00/37/387270037.db2.gz BNZVKQFLKWBHPD-VIFPVBQESA-N 1 2 236.275 -0.080 20 0 BBADLO COC1(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000648713768 388053894 /nfs/dbraw/zinc/05/38/94/388053894.db2.gz ZGUDGVSOLMVJBC-UHFFFAOYSA-N 1 2 228.292 -0.386 20 0 BBADLO COC1(C(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000648729087 388565592 /nfs/dbraw/zinc/56/55/92/388565592.db2.gz DWVCIGRJMYEXPD-UHFFFAOYSA-N 1 2 228.292 -0.698 20 0 BBADLO COC1(C(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000648763788 388845981 /nfs/dbraw/zinc/84/59/81/388845981.db2.gz IXWJZWNSNQFOMZ-UHFFFAOYSA-N 1 2 242.319 -0.044 20 0 BBADLO COCC[NH+]1CCN(C(=O)C2(OC)CC2)CC1 ZINC000648781418 388349537 /nfs/dbraw/zinc/34/95/37/388349537.db2.gz GTQDZEQQIVIDAM-UHFFFAOYSA-N 1 2 242.319 -0.044 20 0 BBADLO C[C@@H]1[C@H](C(=O)NCc2n[nH]c(=O)[nH]2)CC[N@H+]1C ZINC000648807892 388390475 /nfs/dbraw/zinc/39/04/75/388390475.db2.gz YEWZEULCLCODRT-RNFRBKRXSA-N 1 2 239.279 -0.533 20 0 BBADLO C[C@@H]1[C@H](C(=O)NCc2n[nH]c(=O)[nH]2)CC[N@@H+]1C ZINC000648807892 388390472 /nfs/dbraw/zinc/39/04/72/388390472.db2.gz YEWZEULCLCODRT-RNFRBKRXSA-N 1 2 239.279 -0.533 20 0 BBADLO Cc1nc(N)c(CNC(=O)c2ccn(C)n2)c[nH+]1 ZINC000648901914 411915939 /nfs/dbraw/zinc/91/59/39/411915939.db2.gz OGKYHTVEXKGPTC-UHFFFAOYSA-N 1 2 246.274 0.031 20 0 BBADLO Cc1nc(N)c(CNC(=O)C2(O)CCC2)c[nH+]1 ZINC000648902059 411985919 /nfs/dbraw/zinc/98/59/19/411985919.db2.gz HVVAZEBTZGSUPD-UHFFFAOYSA-N 1 2 236.275 -0.102 20 0 BBADLO COC1(C(=O)NCc2c[nH+]c(C)nc2N)CC1 ZINC000648902523 411859528 /nfs/dbraw/zinc/85/95/28/411859528.db2.gz RHIHOCAHKWMVOW-UHFFFAOYSA-N 1 2 236.275 0.162 20 0 BBADLO CO[C@@H]1COC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000649042209 388747751 /nfs/dbraw/zinc/74/77/51/388747751.db2.gz VMFKFTHTHGDJMD-NXEZZACHSA-N 1 2 239.275 -0.507 20 0 BBADLO CO[C@@H]1COC[C@H]1NC(=O)c1c[nH+]c(C)[nH]1 ZINC000649042310 388748061 /nfs/dbraw/zinc/74/80/61/388748061.db2.gz NTAOZYDSXCJTJO-RKDXNWHRSA-N 1 2 225.248 -0.138 20 0 BBADLO CC(=O)NCCN(C)C(=O)Cn1cc[nH+]c1 ZINC000649043814 388749118 /nfs/dbraw/zinc/74/91/18/388749118.db2.gz HWTNSFPWZWYCIO-UHFFFAOYSA-N 1 2 224.264 -0.522 20 0 BBADLO Cc1[nH+]c[nH]c1CC(=O)N1CN(C)C(=O)[C@H]1C ZINC000649157537 388881577 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ZINC000649157920 388881641 /nfs/dbraw/zinc/88/16/41/388881641.db2.gz JZDZQQMFFYVBAF-MRVPVSSYSA-N 1 2 236.275 -0.011 20 0 BBADLO C[C@@H]1C(=O)N(C)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000649157920 388881638 /nfs/dbraw/zinc/88/16/38/388881638.db2.gz JZDZQQMFFYVBAF-MRVPVSSYSA-N 1 2 236.275 -0.011 20 0 BBADLO C[C@H]1C(=O)N(C)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000649157921 388881242 /nfs/dbraw/zinc/88/12/42/388881242.db2.gz JZDZQQMFFYVBAF-QMMMGPOBSA-N 1 2 236.275 -0.011 20 0 BBADLO C[C@H]1C(=O)N(C)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000649157921 388881241 /nfs/dbraw/zinc/88/12/41/388881241.db2.gz JZDZQQMFFYVBAF-QMMMGPOBSA-N 1 2 236.275 -0.011 20 0 BBADLO C[C@@H]1C(=O)N(C)CN1C(=O)Cn1cc[nH+]c1 ZINC000649159583 388882675 /nfs/dbraw/zinc/88/26/75/388882675.db2.gz QNKKVHGEHWJIGO-MRVPVSSYSA-N 1 2 222.248 -0.470 20 0 BBADLO C[C@H]1C(=O)N(C)CN1C(=O)Cn1cc[nH+]c1 ZINC000649159584 388882283 /nfs/dbraw/zinc/88/22/83/388882283.db2.gz QNKKVHGEHWJIGO-QMMMGPOBSA-N 1 2 222.248 -0.470 20 0 BBADLO C[C@@H]1CC[C@@H](O)CN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000649199887 388456139 /nfs/dbraw/zinc/45/61/39/388456139.db2.gz LTQZXSYZEIQOGW-GMTAPVOTSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1CC[C@@H](O)CN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000649199887 388456138 /nfs/dbraw/zinc/45/61/38/388456138.db2.gz LTQZXSYZEIQOGW-GMTAPVOTSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1CC[C@@H](O)CN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000649199888 388456418 /nfs/dbraw/zinc/45/64/18/388456418.db2.gz LTQZXSYZEIQOGW-MXWKQRLJSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1CC[C@@H](O)CN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000649199888 388456416 /nfs/dbraw/zinc/45/64/16/388456416.db2.gz LTQZXSYZEIQOGW-MXWKQRLJSA-N 1 2 242.319 -0.311 20 0 BBADLO O=C(Nc1c[nH]ccc1=O)[C@H]1CSC[NH2+]1 ZINC000649301029 388581100 /nfs/dbraw/zinc/58/11/00/388581100.db2.gz ANEHGGPYYSKCIJ-SSDOTTSWSA-N 1 2 225.273 -0.024 20 0 BBADLO O=C(Nc1c[nH]ccc1=O)[C@@H]1CSC[NH2+]1 ZINC000649301030 388581222 /nfs/dbraw/zinc/58/12/22/388581222.db2.gz 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/nfs/dbraw/zinc/92/26/21/397922621.db2.gz UJFVHJUYJKIOCF-IUCAKERBSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)C[C@@H]1CCC(=O)N1 ZINC000649529548 397922614 /nfs/dbraw/zinc/92/26/14/397922614.db2.gz UJFVHJUYJKIOCF-IUCAKERBSA-N 1 2 248.348 -0.370 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC(=O)N1 ZINC000649537803 397930925 /nfs/dbraw/zinc/93/09/25/397930925.db2.gz PQGYXTYHTHUJNX-DTWKUNHWSA-N 1 2 225.292 -0.525 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC(=O)N1 ZINC000649537803 397930921 /nfs/dbraw/zinc/93/09/21/397930921.db2.gz PQGYXTYHTHUJNX-DTWKUNHWSA-N 1 2 225.292 -0.525 20 0 BBADLO CC[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC(=O)N1 ZINC000649537804 397930697 /nfs/dbraw/zinc/93/06/97/397930697.db2.gz PQGYXTYHTHUJNX-IUCAKERBSA-N 1 2 225.292 -0.525 20 0 BBADLO CC[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC(=O)N1 ZINC000649537804 397930691 /nfs/dbraw/zinc/93/06/91/397930691.db2.gz PQGYXTYHTHUJNX-IUCAKERBSA-N 1 2 225.292 -0.525 20 0 BBADLO CN1CC[N@@H+](C[C@@H]2CCC(=O)N2)CC1=O ZINC000649539162 397932839 /nfs/dbraw/zinc/93/28/39/397932839.db2.gz LLDYMVJXHZWQQH-QMMMGPOBSA-N 1 2 211.265 -0.961 20 0 BBADLO CN1CC[N@H+](C[C@@H]2CCC(=O)N2)CC1=O ZINC000649539162 397932835 /nfs/dbraw/zinc/93/28/35/397932835.db2.gz LLDYMVJXHZWQQH-QMMMGPOBSA-N 1 2 211.265 -0.961 20 0 BBADLO Cc1nnsc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000649546388 397937759 /nfs/dbraw/zinc/93/77/59/397937759.db2.gz OOAHISBSNPWOQQ-OCAPTIKFSA-N 1 2 229.305 -0.226 20 0 BBADLO Cc1nnsc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000649546388 397937755 /nfs/dbraw/zinc/93/77/55/397937755.db2.gz OOAHISBSNPWOQQ-OCAPTIKFSA-N 1 2 229.305 -0.226 20 0 BBADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC000649546613 397937897 /nfs/dbraw/zinc/93/78/97/397937897.db2.gz VIINJBYNHILPQW-TXEJJXNPSA-N 1 2 237.303 -0.243 20 0 BBADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC000649546613 397937894 /nfs/dbraw/zinc/93/78/94/397937894.db2.gz VIINJBYNHILPQW-TXEJJXNPSA-N 1 2 237.303 -0.243 20 0 BBADLO O[C@@H]1C[N@H+](Cc2cc3n(n2)CCCC3)C[C@@H]1O ZINC000649546857 397937989 /nfs/dbraw/zinc/93/79/89/397937989.db2.gz CDNPGIOOFYIKFU-TXEJJXNPSA-N 1 2 237.303 -0.243 20 0 BBADLO O[C@@H]1C[N@@H+](Cc2cc3n(n2)CCCC3)C[C@@H]1O ZINC000649546857 397937986 /nfs/dbraw/zinc/93/79/86/397937986.db2.gz CDNPGIOOFYIKFU-TXEJJXNPSA-N 1 2 237.303 -0.243 20 0 BBADLO O[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)C[C@@H]1O ZINC000649547200 397939401 /nfs/dbraw/zinc/93/94/01/397939401.db2.gz NLNUOEMNTLJOKI-PHIMTYICSA-N 1 2 223.276 -0.633 20 0 BBADLO O[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)C[C@@H]1O ZINC000649547200 397939395 /nfs/dbraw/zinc/93/93/95/397939395.db2.gz NLNUOEMNTLJOKI-PHIMTYICSA-N 1 2 223.276 -0.633 20 0 BBADLO O=C1CC[C@@H](C[N@H+]2CCN(C3CC3)C(=O)C2)N1 ZINC000649548159 397940356 /nfs/dbraw/zinc/94/03/56/397940356.db2.gz OHLBVKQIQGAFAW-VIFPVBQESA-N 1 2 237.303 -0.428 20 0 BBADLO O=C1CC[C@@H](C[N@@H+]2CCN(C3CC3)C(=O)C2)N1 ZINC000649548159 397940355 /nfs/dbraw/zinc/94/03/55/397940355.db2.gz OHLBVKQIQGAFAW-VIFPVBQESA-N 1 2 237.303 -0.428 20 0 BBADLO CN1CC[N@@H+](C[C@@H]2CCC(=O)N2)C(C)(C)C1=O ZINC000649550665 397942578 /nfs/dbraw/zinc/94/25/78/397942578.db2.gz WYYOBCGZFXHSGE-VIFPVBQESA-N 1 2 239.319 -0.182 20 0 BBADLO CN1CC[N@H+](C[C@@H]2CCC(=O)N2)C(C)(C)C1=O ZINC000649550665 397942577 /nfs/dbraw/zinc/94/25/77/397942577.db2.gz WYYOBCGZFXHSGE-VIFPVBQESA-N 1 2 239.319 -0.182 20 0 BBADLO CNC(=O)N1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000649562773 397951435 /nfs/dbraw/zinc/95/14/35/397951435.db2.gz URRTWSXBLQPVBY-VIFPVBQESA-N 1 2 240.307 -0.778 20 0 BBADLO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc2n(n1)CCC2 ZINC000649570823 397960928 /nfs/dbraw/zinc/96/09/28/397960928.db2.gz PTDDKSJZDDVHPS-NWDGAFQWSA-N 1 2 237.303 -0.243 20 0 BBADLO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000649570823 397960927 /nfs/dbraw/zinc/96/09/27/397960927.db2.gz PTDDKSJZDDVHPS-NWDGAFQWSA-N 1 2 237.303 -0.243 20 0 BBADLO OC[C@@H]1C[C@H](O)C[N@H+]1Cc1cc2n(n1)CCC2 ZINC000649570824 397961060 /nfs/dbraw/zinc/96/10/60/397961060.db2.gz PTDDKSJZDDVHPS-RYUDHWBXSA-N 1 2 237.303 -0.243 20 0 BBADLO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000649570824 397961059 /nfs/dbraw/zinc/96/10/59/397961059.db2.gz PTDDKSJZDDVHPS-RYUDHWBXSA-N 1 2 237.303 -0.243 20 0 BBADLO CCC[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC(=O)N1 ZINC000649571863 397963226 /nfs/dbraw/zinc/96/32/26/397963226.db2.gz ALYYKTVSUDPZMB-UWVGGRQHSA-N 1 2 239.319 -0.135 20 0 BBADLO CCC[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC(=O)N1 ZINC000649571863 397963222 /nfs/dbraw/zinc/96/32/22/397963222.db2.gz ALYYKTVSUDPZMB-UWVGGRQHSA-N 1 2 239.319 -0.135 20 0 BBADLO CCC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC(=O)N1 ZINC000649571864 397962893 /nfs/dbraw/zinc/96/28/93/397962893.db2.gz ALYYKTVSUDPZMB-VHSXEESVSA-N 1 2 239.319 -0.135 20 0 BBADLO CCC[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC(=O)N1 ZINC000649571864 397962890 /nfs/dbraw/zinc/96/28/90/397962890.db2.gz ALYYKTVSUDPZMB-VHSXEESVSA-N 1 2 239.319 -0.135 20 0 BBADLO NC(=O)C1([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000649577995 397966030 /nfs/dbraw/zinc/96/60/30/397966030.db2.gz BEMFPGSOFYIDSK-UHFFFAOYSA-N 1 2 220.276 -0.063 20 0 BBADLO CC(C)N1CC[N@@H+](C[C@@H]2CCC(=O)N2)CC1=O ZINC000649579581 397967532 /nfs/dbraw/zinc/96/75/32/397967532.db2.gz DDZXUKPZUXRROJ-JTQLQIEISA-N 1 2 239.319 -0.182 20 0 BBADLO CC(C)N1CC[N@H+](C[C@@H]2CCC(=O)N2)CC1=O ZINC000649579581 397967530 /nfs/dbraw/zinc/96/75/30/397967530.db2.gz DDZXUKPZUXRROJ-JTQLQIEISA-N 1 2 239.319 -0.182 20 0 BBADLO CC[N@H+](Cc1cn(C)nn1)C[C@@H]1CCC(=O)N1 ZINC000649581871 397969185 /nfs/dbraw/zinc/96/91/85/397969185.db2.gz PTRCNMFNMHOFLN-VIFPVBQESA-N 1 2 237.307 -0.084 20 0 BBADLO CC[N@@H+](Cc1cn(C)nn1)C[C@@H]1CCC(=O)N1 ZINC000649581871 397969181 /nfs/dbraw/zinc/96/91/81/397969181.db2.gz PTRCNMFNMHOFLN-VIFPVBQESA-N 1 2 237.307 -0.084 20 0 BBADLO CCN1CC[N@@H+](C[C@@H]2CCC(=O)N2)CC1=O ZINC000649585981 397974940 /nfs/dbraw/zinc/97/49/40/397974940.db2.gz MUNDSZNHXKEECA-VIFPVBQESA-N 1 2 225.292 -0.571 20 0 BBADLO CCN1CC[N@H+](C[C@@H]2CCC(=O)N2)CC1=O ZINC000649585981 397974938 /nfs/dbraw/zinc/97/49/38/397974938.db2.gz MUNDSZNHXKEECA-VIFPVBQESA-N 1 2 225.292 -0.571 20 0 BBADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1C[C@@H]1CCC(=O)N1 ZINC000649589516 397981173 /nfs/dbraw/zinc/98/11/73/397981173.db2.gz VTVQEMCCYBMPOZ-BDAKNGLRSA-N 1 2 225.292 -0.573 20 0 BBADLO C[C@@H]1C(=O)N(C)CC[N@H+]1C[C@@H]1CCC(=O)N1 ZINC000649589516 397981169 /nfs/dbraw/zinc/98/11/69/397981169.db2.gz VTVQEMCCYBMPOZ-BDAKNGLRSA-N 1 2 225.292 -0.573 20 0 BBADLO C[C@H]1C(=O)N(C)CC[N@@H+]1C[C@@H]1CCC(=O)N1 ZINC000649589517 397980579 /nfs/dbraw/zinc/98/05/79/397980579.db2.gz VTVQEMCCYBMPOZ-IUCAKERBSA-N 1 2 225.292 -0.573 20 0 BBADLO C[C@H]1C(=O)N(C)CC[N@H+]1C[C@@H]1CCC(=O)N1 ZINC000649589517 397980573 /nfs/dbraw/zinc/98/05/73/397980573.db2.gz VTVQEMCCYBMPOZ-IUCAKERBSA-N 1 2 225.292 -0.573 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@@H]2CCC(=O)N2)CC(=O)N1C ZINC000649600362 397988084 /nfs/dbraw/zinc/98/80/84/397988084.db2.gz FTSHIQULXDOVQC-BDAKNGLRSA-N 1 2 225.292 -0.573 20 0 BBADLO C[C@@H]1C[N@H+](C[C@@H]2CCC(=O)N2)CC(=O)N1C ZINC000649600362 397988081 /nfs/dbraw/zinc/98/80/81/397988081.db2.gz FTSHIQULXDOVQC-BDAKNGLRSA-N 1 2 225.292 -0.573 20 0 BBADLO C[C@H]1C[N@@H+](C[C@@H]2CCC(=O)N2)CC(=O)N1C ZINC000649600363 397988270 /nfs/dbraw/zinc/98/82/70/397988270.db2.gz FTSHIQULXDOVQC-IUCAKERBSA-N 1 2 225.292 -0.573 20 0 BBADLO C[C@H]1C[N@H+](C[C@@H]2CCC(=O)N2)CC(=O)N1C ZINC000649600363 397988268 /nfs/dbraw/zinc/98/82/68/397988268.db2.gz FTSHIQULXDOVQC-IUCAKERBSA-N 1 2 225.292 -0.573 20 0 BBADLO CC1(C)CNC(=O)C[N@H+]1C[C@@H]1CCC(=O)N1 ZINC000649600615 397988465 /nfs/dbraw/zinc/98/84/65/397988465.db2.gz NTUJXPIDMAITFS-QMMMGPOBSA-N 1 2 225.292 -0.525 20 0 BBADLO CC1(C)CNC(=O)C[N@@H+]1C[C@@H]1CCC(=O)N1 ZINC000649600615 397988462 /nfs/dbraw/zinc/98/84/62/397988462.db2.gz NTUJXPIDMAITFS-QMMMGPOBSA-N 1 2 225.292 -0.525 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@@H]2CCC(=O)N2)CC(=O)N1 ZINC000649622681 398007005 /nfs/dbraw/zinc/00/70/05/398007005.db2.gz QOGYOEDQIFIKIC-SFYZADRCSA-N 1 2 211.265 -0.915 20 0 BBADLO C[C@@H]1C[N@H+](C[C@@H]2CCC(=O)N2)CC(=O)N1 ZINC000649622681 398007001 /nfs/dbraw/zinc/00/70/01/398007001.db2.gz QOGYOEDQIFIKIC-SFYZADRCSA-N 1 2 211.265 -0.915 20 0 BBADLO C[C@H]1C[N@@H+](C[C@@H]2CCC(=O)N2)CC(=O)N1 ZINC000649622682 398006977 /nfs/dbraw/zinc/00/69/77/398006977.db2.gz QOGYOEDQIFIKIC-YUMQZZPRSA-N 1 2 211.265 -0.915 20 0 BBADLO C[C@H]1C[N@H+](C[C@@H]2CCC(=O)N2)CC(=O)N1 ZINC000649622682 398006976 /nfs/dbraw/zinc/00/69/76/398006976.db2.gz QOGYOEDQIFIKIC-YUMQZZPRSA-N 1 2 211.265 -0.915 20 0 BBADLO CCC(=O)N1CC[N@@H+](C[C@@H]2CCC(=O)N2)C1 ZINC000649632228 398014436 /nfs/dbraw/zinc/01/44/36/398014436.db2.gz BHSKNLSEPFRRJE-VIFPVBQESA-N 1 2 225.292 -0.223 20 0 BBADLO CCC(=O)N1CC[N@H+](C[C@@H]2CCC(=O)N2)C1 ZINC000649632228 398014433 /nfs/dbraw/zinc/01/44/33/398014433.db2.gz BHSKNLSEPFRRJE-VIFPVBQESA-N 1 2 225.292 -0.223 20 0 BBADLO Cn1nnnc1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000649673258 398034057 /nfs/dbraw/zinc/03/40/57/398034057.db2.gz LBDNGXURNFAQDU-UHFFFAOYSA-N 1 2 237.307 -0.053 20 0 BBADLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1nc(C)no1 ZINC000649741793 398080397 /nfs/dbraw/zinc/08/03/97/398080397.db2.gz DFLTVHOVGKXETB-DTWKUNHWSA-N 1 2 227.264 -0.040 20 0 BBADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nc(C)no1 ZINC000649741793 398080396 /nfs/dbraw/zinc/08/03/96/398080396.db2.gz DFLTVHOVGKXETB-DTWKUNHWSA-N 1 2 227.264 -0.040 20 0 BBADLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1nccc(N)n1 ZINC000649743708 398081555 /nfs/dbraw/zinc/08/15/55/398081555.db2.gz AFZMSUXFZUNDIG-DTWKUNHWSA-N 1 2 238.291 -0.529 20 0 BBADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nccc(N)n1 ZINC000649743708 398081550 /nfs/dbraw/zinc/08/15/50/398081550.db2.gz AFZMSUXFZUNDIG-DTWKUNHWSA-N 1 2 238.291 -0.529 20 0 BBADLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1nnc(C)[nH]1 ZINC000649744569 398082491 /nfs/dbraw/zinc/08/24/91/398082491.db2.gz FGGXNKKJMFXADM-DTWKUNHWSA-N 1 2 226.280 -0.305 20 0 BBADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nnc(C)[nH]1 ZINC000649744569 398082490 /nfs/dbraw/zinc/08/24/90/398082490.db2.gz FGGXNKKJMFXADM-DTWKUNHWSA-N 1 2 226.280 -0.305 20 0 BBADLO CCc1nnc(C[N@H+]2C[C@H](O)C[C@H]2COC)[nH]1 ZINC000649744682 398082409 /nfs/dbraw/zinc/08/24/09/398082409.db2.gz KDKKTBVOBURQCA-DTWKUNHWSA-N 1 2 240.307 -0.051 20 0 BBADLO CCc1nnc(C[N@@H+]2C[C@H](O)C[C@H]2COC)[nH]1 ZINC000649744682 398082406 /nfs/dbraw/zinc/08/24/06/398082406.db2.gz KDKKTBVOBURQCA-DTWKUNHWSA-N 1 2 240.307 -0.051 20 0 BBADLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cnc[nH]1 ZINC000649744895 398082898 /nfs/dbraw/zinc/08/28/98/398082898.db2.gz RBMURHDBNJYLSM-VHSXEESVSA-N 1 2 211.265 -0.009 20 0 BBADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cnc[nH]1 ZINC000649744895 398082896 /nfs/dbraw/zinc/08/28/96/398082896.db2.gz RBMURHDBNJYLSM-VHSXEESVSA-N 1 2 211.265 -0.009 20 0 BBADLO CCn1ncnc1C[N@H+]1C[C@H](O)C[C@H]1COC ZINC000649745057 398081287 /nfs/dbraw/zinc/08/12/87/398081287.db2.gz ZLLMBACPRUWIQV-VHSXEESVSA-N 1 2 240.307 -0.120 20 0 BBADLO CCn1ncnc1C[N@@H+]1C[C@H](O)C[C@H]1COC ZINC000649745057 398081286 /nfs/dbraw/zinc/08/12/86/398081286.db2.gz ZLLMBACPRUWIQV-VHSXEESVSA-N 1 2 240.307 -0.120 20 0 BBADLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1nc(C)no1 ZINC000649760777 398090294 /nfs/dbraw/zinc/09/02/94/398090294.db2.gz DFLTVHOVGKXETB-RKDXNWHRSA-N 1 2 227.264 -0.040 20 0 BBADLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1nc(C)no1 ZINC000649760777 398090291 /nfs/dbraw/zinc/09/02/91/398090291.db2.gz DFLTVHOVGKXETB-RKDXNWHRSA-N 1 2 227.264 -0.040 20 0 BBADLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1nccc(N)n1 ZINC000649763709 398091939 /nfs/dbraw/zinc/09/19/39/398091939.db2.gz AFZMSUXFZUNDIG-RKDXNWHRSA-N 1 2 238.291 -0.529 20 0 BBADLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1nccc(N)n1 ZINC000649763709 398091936 /nfs/dbraw/zinc/09/19/36/398091936.db2.gz AFZMSUXFZUNDIG-RKDXNWHRSA-N 1 2 238.291 -0.529 20 0 BBADLO CCc1nnc(C[N@H+]2C[C@H](O)C[C@@H]2COC)[nH]1 ZINC000649763923 398091313 /nfs/dbraw/zinc/09/13/13/398091313.db2.gz KDKKTBVOBURQCA-RKDXNWHRSA-N 1 2 240.307 -0.051 20 0 BBADLO CCc1nnc(C[N@@H+]2C[C@H](O)C[C@@H]2COC)[nH]1 ZINC000649763923 398091311 /nfs/dbraw/zinc/09/13/11/398091311.db2.gz KDKKTBVOBURQCA-RKDXNWHRSA-N 1 2 240.307 -0.051 20 0 BBADLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cnc[nH]1 ZINC000649764114 398091529 /nfs/dbraw/zinc/09/15/29/398091529.db2.gz RBMURHDBNJYLSM-NXEZZACHSA-N 1 2 211.265 -0.009 20 0 BBADLO CCn1ncnc1C[N@H+]1C[C@H](O)C[C@@H]1COC ZINC000649764283 398091559 /nfs/dbraw/zinc/09/15/59/398091559.db2.gz ZLLMBACPRUWIQV-NXEZZACHSA-N 1 2 240.307 -0.120 20 0 BBADLO CCn1ncnc1C[N@@H+]1C[C@H](O)C[C@@H]1COC ZINC000649764283 398091557 /nfs/dbraw/zinc/09/15/57/398091557.db2.gz ZLLMBACPRUWIQV-NXEZZACHSA-N 1 2 240.307 -0.120 20 0 BBADLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1nnc(C)[nH]1 ZINC000649764494 398092858 /nfs/dbraw/zinc/09/28/58/398092858.db2.gz FGGXNKKJMFXADM-RKDXNWHRSA-N 1 2 226.280 -0.305 20 0 BBADLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1nnc(C)[nH]1 ZINC000649764494 398092857 /nfs/dbraw/zinc/09/28/57/398092857.db2.gz FGGXNKKJMFXADM-RKDXNWHRSA-N 1 2 226.280 -0.305 20 0 BBADLO C[C@@H](CCO)[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000649870097 398156412 /nfs/dbraw/zinc/15/64/12/398156412.db2.gz UXBPFPRIANTKTN-LURJTMIESA-N 1 2 200.242 -0.287 20 0 BBADLO C[C@@H](CCO)[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000649870097 398156410 /nfs/dbraw/zinc/15/64/10/398156410.db2.gz UXBPFPRIANTKTN-LURJTMIESA-N 1 2 200.242 -0.287 20 0 BBADLO C[C@H](CCO)[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000649870098 398156849 /nfs/dbraw/zinc/15/68/49/398156849.db2.gz UXBPFPRIANTKTN-ZCFIWIBFSA-N 1 2 200.242 -0.287 20 0 BBADLO C[C@H](CCO)[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000649870098 398156847 /nfs/dbraw/zinc/15/68/47/398156847.db2.gz UXBPFPRIANTKTN-ZCFIWIBFSA-N 1 2 200.242 -0.287 20 0 BBADLO CN(C)C(=O)C[N@H+]1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000649909293 398184899 /nfs/dbraw/zinc/18/48/99/398184899.db2.gz HEVJJILXUBWXGQ-NXEZZACHSA-N 1 2 242.319 -0.047 20 0 BBADLO CN(C)C(=O)C[N@@H+]1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000649909293 398184895 /nfs/dbraw/zinc/18/48/95/398184895.db2.gz HEVJJILXUBWXGQ-NXEZZACHSA-N 1 2 242.319 -0.047 20 0 BBADLO CNC(=O)C[N@H+]1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000649910198 398182837 /nfs/dbraw/zinc/18/28/37/398182837.db2.gz ICFJYHNTOPHCRL-RKDXNWHRSA-N 1 2 228.292 -0.389 20 0 BBADLO CNC(=O)C[N@@H+]1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000649910198 398182836 /nfs/dbraw/zinc/18/28/36/398182836.db2.gz ICFJYHNTOPHCRL-RKDXNWHRSA-N 1 2 228.292 -0.389 20 0 BBADLO C[C@@H]1[C@H](O)CCC[N@H+]1CC(=O)Nc1ccon1 ZINC000649948710 398195480 /nfs/dbraw/zinc/19/54/80/398195480.db2.gz HCEFNEOTXAXKHA-RKDXNWHRSA-N 1 2 239.275 -0.120 20 0 BBADLO C[C@@H]1[C@H](O)CCC[N@@H+]1CC(=O)Nc1ccon1 ZINC000649948710 398195478 /nfs/dbraw/zinc/19/54/78/398195478.db2.gz HCEFNEOTXAXKHA-RKDXNWHRSA-N 1 2 239.275 -0.120 20 0 BBADLO C[C@@H]1C[C@H](O)C[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000650325746 398115029 /nfs/dbraw/zinc/11/50/29/398115029.db2.gz HCRQUEZYUXSFDI-BDAKNGLRSA-N 1 2 239.275 -0.262 20 0 BBADLO C[C@@H]1C[C@H](O)C[N@H+](CC(=O)Nc2ccon2)C1 ZINC000650325746 398115026 /nfs/dbraw/zinc/11/50/26/398115026.db2.gz HCRQUEZYUXSFDI-BDAKNGLRSA-N 1 2 239.275 -0.262 20 0 BBADLO Cc1nn(Cc2c[nH+]cn2C)c(=O)n1C ZINC000650348514 398138672 /nfs/dbraw/zinc/13/86/72/398138672.db2.gz RTHODCRDBZRYMJ-UHFFFAOYSA-N 1 2 207.237 -0.328 20 0 BBADLO NC(=O)[C@H]1C[C@@H](Nc2[nH+]cnc3c2OCCN3)C1 ZINC000651413236 410996264 /nfs/dbraw/zinc/99/62/64/410996264.db2.gz URAIXSPOWDPDJD-KNVOCYPGSA-N 1 2 249.274 -0.043 20 0 BBADLO NC(=O)[C@H]1C[C@@H](Nc2nc[nH+]c3c2OCCN3)C1 ZINC000651413236 410996254 /nfs/dbraw/zinc/99/62/54/410996254.db2.gz URAIXSPOWDPDJD-KNVOCYPGSA-N 1 2 249.274 -0.043 20 0 BBADLO Cc1nc(N[C@@H](CO)CCF)nc(N(C)C)[nH+]1 ZINC000651463684 411048394 /nfs/dbraw/zinc/04/83/94/411048394.db2.gz ZLCKBORMGOFRSO-MRVPVSSYSA-N 1 2 243.286 -0.200 20 0 BBADLO Cc1nc(N(C)C)nc(N[C@@H](CO)CCF)[nH+]1 ZINC000651463684 411048387 /nfs/dbraw/zinc/04/83/87/411048387.db2.gz ZLCKBORMGOFRSO-MRVPVSSYSA-N 1 2 243.286 -0.200 20 0 BBADLO Cc1nc(N[C@H](CO)CCF)nc(N(C)C)[nH+]1 ZINC000651463685 411048193 /nfs/dbraw/zinc/04/81/93/411048193.db2.gz ZLCKBORMGOFRSO-QMMMGPOBSA-N 1 2 243.286 -0.200 20 0 BBADLO Cc1nc(N(C)C)nc(N[C@H](CO)CCF)[nH+]1 ZINC000651463685 411048190 /nfs/dbraw/zinc/04/81/90/411048190.db2.gz ZLCKBORMGOFRSO-QMMMGPOBSA-N 1 2 243.286 -0.200 20 0 BBADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CC(O)C1 ZINC000651490736 411069593 /nfs/dbraw/zinc/06/95/93/411069593.db2.gz XCDWFALMHCLDSM-UHFFFAOYSA-N 1 2 235.287 -0.035 20 0 BBADLO C[C@H](CC(=O)NC(C)(CO)CO)n1cc[nH+]c1 ZINC000651697444 487818709 /nfs/dbraw/zinc/81/87/09/487818709.db2.gz DSHRMACFFMUYFI-SECBINFHSA-N 1 2 241.291 -0.306 20 0 BBADLO C[C@@H](CC(=O)NC(C)(CO)CO)n1cc[nH+]c1 ZINC000651697445 487818759 /nfs/dbraw/zinc/81/87/59/487818759.db2.gz DSHRMACFFMUYFI-VIFPVBQESA-N 1 2 241.291 -0.306 20 0 BBADLO CCS(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651881715 411149023 /nfs/dbraw/zinc/14/90/23/411149023.db2.gz NADUESAMBZIFIT-SECBINFHSA-N 1 2 234.321 -0.913 20 0 BBADLO CCS(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651881715 411149022 /nfs/dbraw/zinc/14/90/22/411149022.db2.gz NADUESAMBZIFIT-SECBINFHSA-N 1 2 234.321 -0.913 20 0 BBADLO CCCS(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651881998 411148953 /nfs/dbraw/zinc/14/89/53/411148953.db2.gz YDZFNXZGBMFPCS-SNVBAGLBSA-N 1 2 248.348 -0.523 20 0 BBADLO CCCS(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651881998 411148952 /nfs/dbraw/zinc/14/89/52/411148952.db2.gz YDZFNXZGBMFPCS-SNVBAGLBSA-N 1 2 248.348 -0.523 20 0 BBADLO O=S(=O)(C1CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651882710 411148993 /nfs/dbraw/zinc/14/89/93/411148993.db2.gz ZHQDAIVDIJBXMG-SECBINFHSA-N 1 2 246.332 -0.771 20 0 BBADLO O=S(=O)(C1CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651882710 411148992 /nfs/dbraw/zinc/14/89/92/411148992.db2.gz ZHQDAIVDIJBXMG-SECBINFHSA-N 1 2 246.332 -0.771 20 0 BBADLO COC[C@@H](CO)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000651953496 409575416 /nfs/dbraw/zinc/57/54/16/409575416.db2.gz JJVKDMRVYSWIPB-NXEZZACHSA-N 1 2 241.291 -0.042 20 0 BBADLO COC[C@@H](CO)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000651953497 409575060 /nfs/dbraw/zinc/57/50/60/409575060.db2.gz JJVKDMRVYSWIPB-VHSXEESVSA-N 1 2 241.291 -0.042 20 0 BBADLO C[C@@H]1[C@H](O)CCN1C(=O)Cn1cc[nH+]c1 ZINC000652417402 411237554 /nfs/dbraw/zinc/23/75/54/411237554.db2.gz PHTZRQGTHOYLPI-RKDXNWHRSA-N 1 2 209.249 -0.135 20 0 BBADLO CO[C@@H]1COC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000652436919 491084792 /nfs/dbraw/zinc/08/47/92/491084792.db2.gz LWJVKORCBGOPNY-DTWKUNHWSA-N 1 2 225.248 -0.587 20 0 BBADLO O=C(Cn1cc[nH+]c1)N1CCN(C(=O)C2CC2)C1 ZINC000652462283 411249512 /nfs/dbraw/zinc/24/95/12/411249512.db2.gz HBNOHGOSEPSWRH-UHFFFAOYSA-N 1 2 248.286 -0.079 20 0 BBADLO CC(=O)NC[C@H]1CN(C(C)=O)CC[N@@H+]1C ZINC000652496384 411257372 /nfs/dbraw/zinc/25/73/72/411257372.db2.gz TZUZXKVRYNLMEZ-JTQLQIEISA-N 1 2 213.281 -0.715 20 0 BBADLO CC(=O)NC[C@H]1CN(C(C)=O)CC[N@H+]1C ZINC000652496384 411257371 /nfs/dbraw/zinc/25/73/71/411257371.db2.gz TZUZXKVRYNLMEZ-JTQLQIEISA-N 1 2 213.281 -0.715 20 0 BBADLO CC(=O)NC[C@@H]1CN(C(C)=O)CC[N@@H+]1C ZINC000652496385 411257109 /nfs/dbraw/zinc/25/71/09/411257109.db2.gz TZUZXKVRYNLMEZ-SNVBAGLBSA-N 1 2 213.281 -0.715 20 0 BBADLO CC(=O)NC[C@@H]1CN(C(C)=O)CC[N@H+]1C ZINC000652496385 411257106 /nfs/dbraw/zinc/25/71/06/411257106.db2.gz TZUZXKVRYNLMEZ-SNVBAGLBSA-N 1 2 213.281 -0.715 20 0 BBADLO COC[C@@H]1C[C@@H](O)CN1C(=O)Cn1cc[nH+]c1 ZINC000652782017 487959947 /nfs/dbraw/zinc/95/99/47/487959947.db2.gz XPVPCJZCUDDLOU-VHSXEESVSA-N 1 2 239.275 -0.509 20 0 BBADLO NC(=O)[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000652791224 411179339 /nfs/dbraw/zinc/17/93/39/411179339.db2.gz GDKWHFXWQAOTOO-OCAPTIKFSA-N 1 2 222.248 -0.737 20 0 BBADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000652792186 411180662 /nfs/dbraw/zinc/18/06/62/411180662.db2.gz QUOBEXAGHMMWGW-OCAPTIKFSA-N 1 2 236.275 -0.359 20 0 BBADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000652792186 411180659 /nfs/dbraw/zinc/18/06/59/411180659.db2.gz QUOBEXAGHMMWGW-OCAPTIKFSA-N 1 2 236.275 -0.359 20 0 BBADLO NC(=O)[C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000652795239 487981130 /nfs/dbraw/zinc/98/11/30/487981130.db2.gz HMXYZVCUCJBUFO-DTORHVGOSA-N 1 2 236.275 -0.347 20 0 BBADLO Cc1[nH]c(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)c[nH+]1 ZINC000652795649 491120867 /nfs/dbraw/zinc/12/08/67/491120867.db2.gz WEPRPZKFMCVWJM-KNVOCYPGSA-N 1 2 222.248 -0.288 20 0 BBADLO Cc1[nH]c(C(=O)NCC[C@@]2(O)CCOC2)c[nH+]1 ZINC000652807522 491121323 /nfs/dbraw/zinc/12/13/23/491121323.db2.gz ORUJBJFIMCLYNQ-LLVKDONJSA-N 1 2 239.275 -0.011 20 0 BBADLO Cc1[nH]c(C(=O)NCC[C@]2(O)CCOC2)c[nH+]1 ZINC000652807523 490367597 /nfs/dbraw/zinc/36/75/97/490367597.db2.gz ORUJBJFIMCLYNQ-NSHDSACASA-N 1 2 239.275 -0.011 20 0 BBADLO COC[C@H]1C[C@@H](O)CN1C(=O)Cn1cc[nH+]c1 ZINC000652821057 411193102 /nfs/dbraw/zinc/19/31/02/411193102.db2.gz XPVPCJZCUDDLOU-NXEZZACHSA-N 1 2 239.275 -0.509 20 0 BBADLO CC(=O)CCC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652885757 411257378 /nfs/dbraw/zinc/25/73/78/411257378.db2.gz MWYHGKCCYSQCAV-LLVKDONJSA-N 1 2 240.303 -0.367 20 0 BBADLO CC(=O)CCC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652885757 411257376 /nfs/dbraw/zinc/25/73/76/411257376.db2.gz MWYHGKCCYSQCAV-LLVKDONJSA-N 1 2 240.303 -0.367 20 0 BBADLO O=C(C1CC(=O)C1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652891046 411261222 /nfs/dbraw/zinc/26/12/22/411261222.db2.gz ZHPAPQMXNCXZRG-SNVBAGLBSA-N 1 2 238.287 -0.757 20 0 BBADLO O=C(C1CC(=O)C1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652891046 411261218 /nfs/dbraw/zinc/26/12/18/411261218.db2.gz ZHPAPQMXNCXZRG-SNVBAGLBSA-N 1 2 238.287 -0.757 20 0 BBADLO C[C@H](CCO)N(C)C(=O)[C@H]1COCC[N@H+]1C ZINC000652957641 411360048 /nfs/dbraw/zinc/36/00/48/411360048.db2.gz SMBMAACJWNUVKQ-NXEZZACHSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@H](CCO)N(C)C(=O)[C@H]1COCC[N@@H+]1C ZINC000652957641 411360044 /nfs/dbraw/zinc/36/00/44/411360044.db2.gz SMBMAACJWNUVKQ-NXEZZACHSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@@H](CCO)N(C)C(=O)[C@@H]1COCC[N@H+]1C ZINC000652957642 411360005 /nfs/dbraw/zinc/36/00/05/411360005.db2.gz SMBMAACJWNUVKQ-UWVGGRQHSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@@H](CCO)N(C)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000652957642 411360000 /nfs/dbraw/zinc/36/00/00/411360000.db2.gz SMBMAACJWNUVKQ-UWVGGRQHSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@@H](CCO)N(C)C(=O)[C@H]1COCC[N@H+]1C ZINC000652957643 411359922 /nfs/dbraw/zinc/35/99/22/411359922.db2.gz SMBMAACJWNUVKQ-VHSXEESVSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@@H](CCO)N(C)C(=O)[C@H]1COCC[N@@H+]1C ZINC000652957643 411359916 /nfs/dbraw/zinc/35/99/16/411359916.db2.gz SMBMAACJWNUVKQ-VHSXEESVSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@H](CCO)N(C)C(=O)[C@@H]1COCC[N@H+]1C ZINC000652957644 411359883 /nfs/dbraw/zinc/35/98/83/411359883.db2.gz SMBMAACJWNUVKQ-ZJUUUORDSA-N 1 2 230.308 -0.454 20 0 BBADLO C[C@H](CCO)N(C)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000652957644 411359879 /nfs/dbraw/zinc/35/98/79/411359879.db2.gz SMBMAACJWNUVKQ-ZJUUUORDSA-N 1 2 230.308 -0.454 20 0 BBADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](O)C1 ZINC000652993565 411390849 /nfs/dbraw/zinc/39/08/49/411390849.db2.gz YXMNMSXJKZYRCY-SNVBAGLBSA-N 1 2 223.276 -0.054 20 0 BBADLO C[C@@H](O)[C@@H](CO)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000653035334 411399671 /nfs/dbraw/zinc/39/96/71/411399671.db2.gz BINGIYNRIANVGH-IVZWLZJFSA-N 1 2 241.291 -0.308 20 0 BBADLO C[C@@H](O)[C@@H](CO)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000653035335 411399611 /nfs/dbraw/zinc/39/96/11/411399611.db2.gz BINGIYNRIANVGH-OPRDCNLKSA-N 1 2 241.291 -0.308 20 0 BBADLO [NH3+]CC(F)(F)CC(=O)NCc1c[nH]nn1 ZINC000653080400 409596067 /nfs/dbraw/zinc/59/60/67/409596067.db2.gz FOIVZIXQEVAJFT-UHFFFAOYSA-N 1 2 219.195 -0.595 20 0 BBADLO [NH3+]CC(F)(F)CC(=O)NCc1n[nH]c(=O)[nH]1 ZINC000653092008 409676106 /nfs/dbraw/zinc/67/61/06/409676106.db2.gz PBDKVZKWMDDPPT-UHFFFAOYSA-N 1 2 235.194 -0.889 20 0 BBADLO C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000653112370 487687826 /nfs/dbraw/zinc/68/78/26/487687826.db2.gz WTDSSDMXZXNYLI-GHMZBOCLSA-N 1 2 242.367 -0.524 20 0 BBADLO C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000653112371 487687300 /nfs/dbraw/zinc/68/73/00/487687300.db2.gz WTDSSDMXZXNYLI-MNOVXSKESA-N 1 2 242.367 -0.524 20 0 BBADLO C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000653112372 487687746 /nfs/dbraw/zinc/68/77/46/487687746.db2.gz WTDSSDMXZXNYLI-QWRGUYRKSA-N 1 2 242.367 -0.524 20 0 BBADLO C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000653112373 487687802 /nfs/dbraw/zinc/68/78/02/487687802.db2.gz WTDSSDMXZXNYLI-WDEREUQCSA-N 1 2 242.367 -0.524 20 0 BBADLO C[C@@H]1C[N@H+]([C@H]2CC(=O)NC2=O)C[C@H](C2CC2)O1 ZINC000653281458 642811698 /nfs/dbraw/zinc/81/16/98/642811698.db2.gz JTPQCNVIRMVUAS-FKTZTGRPSA-N 1 2 238.287 -0.099 20 0 BBADLO C[C@@H]1C[N@@H+]([C@H]2CC(=O)NC2=O)C[C@H](C2CC2)O1 ZINC000653281458 642811694 /nfs/dbraw/zinc/81/16/94/642811694.db2.gz JTPQCNVIRMVUAS-FKTZTGRPSA-N 1 2 238.287 -0.099 20 0 BBADLO CCn1cc(N2C(=O)C[C@@H]([NH3+])C2=O)cn1 ZINC000653285930 410646779 /nfs/dbraw/zinc/64/67/79/410646779.db2.gz AYUIMWKBGFOWLB-SSDOTTSWSA-N 1 2 208.221 -0.506 20 0 BBADLO CCn1cc(N2C(=O)C[C@H]([NH3+])C2=O)cn1 ZINC000653285931 410646210 /nfs/dbraw/zinc/64/62/10/410646210.db2.gz AYUIMWKBGFOWLB-ZETCQYMHSA-N 1 2 208.221 -0.506 20 0 BBADLO C[C@H](Cn1cc[nH+]c1)N=c1nc[nH]n1C ZINC000653463428 411280853 /nfs/dbraw/zinc/28/08/53/411280853.db2.gz LBTPKXGGZIOIJG-MRVPVSSYSA-N 1 2 206.253 -0.066 20 0 BBADLO C[C@@H](Cn1cc[nH+]c1)N=c1nc[nH]n1C ZINC000653463429 411281184 /nfs/dbraw/zinc/28/11/84/411281184.db2.gz LBTPKXGGZIOIJG-QMMMGPOBSA-N 1 2 206.253 -0.066 20 0 BBADLO C[C@@H]1C[N@@H+](CCN=c2nc[nH]n2C)CCO1 ZINC000653464017 411281082 /nfs/dbraw/zinc/28/10/82/411281082.db2.gz HTUNJXYNCXZZSB-SECBINFHSA-N 1 2 225.296 -0.630 20 0 BBADLO C[C@@H]1C[N@H+](CCN=c2nc[nH]n2C)CCO1 ZINC000653464017 411281081 /nfs/dbraw/zinc/28/10/81/411281081.db2.gz HTUNJXYNCXZZSB-SECBINFHSA-N 1 2 225.296 -0.630 20 0 BBADLO C[C@H]1C[N@@H+](CCNc2ncnn2C)CCO1 ZINC000653464018 411281038 /nfs/dbraw/zinc/28/10/38/411281038.db2.gz HTUNJXYNCXZZSB-VIFPVBQESA-N 1 2 225.296 -0.630 20 0 BBADLO C[C@H]1C[N@H+](CCNc2ncnn2C)CCO1 ZINC000653464018 411281036 /nfs/dbraw/zinc/28/10/36/411281036.db2.gz HTUNJXYNCXZZSB-VIFPVBQESA-N 1 2 225.296 -0.630 20 0 BBADLO C[C@@H](CNc1ncnn1C)[NH+]1CCN(C)CC1 ZINC000653464089 411281056 /nfs/dbraw/zinc/28/10/56/411281056.db2.gz KVTONSPZNBCMIA-JTQLQIEISA-N 1 2 238.339 -0.715 20 0 BBADLO C[C@H](CNc1ncnn1C)[NH+]1CCN(C)CC1 ZINC000653464090 411281104 /nfs/dbraw/zinc/28/11/04/411281104.db2.gz KVTONSPZNBCMIA-SNVBAGLBSA-N 1 2 238.339 -0.715 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCNc1ncnn1C ZINC000653464852 411282052 /nfs/dbraw/zinc/28/20/52/411282052.db2.gz JLKBHOWVJUNNCS-SECBINFHSA-N 1 2 225.296 -0.630 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCNc1ncnn1C ZINC000653464852 411282049 /nfs/dbraw/zinc/28/20/49/411282049.db2.gz JLKBHOWVJUNNCS-SECBINFHSA-N 1 2 225.296 -0.630 20 0 BBADLO C[C@H]1COCC[N@H+]1CCN=c1nc[nH]n1C ZINC000653464853 411282212 /nfs/dbraw/zinc/28/22/12/411282212.db2.gz JLKBHOWVJUNNCS-VIFPVBQESA-N 1 2 225.296 -0.630 20 0 BBADLO C[C@H]1COCC[N@@H+]1CCN=c1nc[nH]n1C ZINC000653464853 411282210 /nfs/dbraw/zinc/28/22/10/411282210.db2.gz JLKBHOWVJUNNCS-VIFPVBQESA-N 1 2 225.296 -0.630 20 0 BBADLO Cn1ncnc1NCC[N@H+]1CCOCC1(C)C ZINC000653465214 487662982 /nfs/dbraw/zinc/66/29/82/487662982.db2.gz WZCUOZBYCYAURT-UHFFFAOYSA-N 1 2 239.323 -0.240 20 0 BBADLO Cn1ncnc1NCC[N@@H+]1CCOCC1(C)C ZINC000653465214 487662979 /nfs/dbraw/zinc/66/29/79/487662979.db2.gz WZCUOZBYCYAURT-UHFFFAOYSA-N 1 2 239.323 -0.240 20 0 BBADLO Cn1c[nH+]c(CCN=c2nc[nH]n2C)c1 ZINC000653465499 411283457 /nfs/dbraw/zinc/28/34/57/411283457.db2.gz CSEGRCYEIFFVMX-UHFFFAOYSA-N 1 2 206.253 -0.375 20 0 BBADLO Cn1[nH]cnc1=NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000653467393 411287492 /nfs/dbraw/zinc/28/74/92/411287492.db2.gz NWYPYLKPSGYWKN-AOOOYVTPSA-N 1 2 237.307 -0.488 20 0 BBADLO Cn1[nH]cnc1=NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000653467393 411287489 /nfs/dbraw/zinc/28/74/89/411287489.db2.gz NWYPYLKPSGYWKN-AOOOYVTPSA-N 1 2 237.307 -0.488 20 0 BBADLO Cn1[nH]cnc1=NCC1([NH+]2CCOCC2)CC1 ZINC000653470520 411292945 /nfs/dbraw/zinc/29/29/45/411292945.db2.gz GBAZTGCLMIKJNC-UHFFFAOYSA-N 1 2 237.307 -0.486 20 0 BBADLO C[C@H](c1nccc(N)n1)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000653562644 411422083 /nfs/dbraw/zinc/42/20/83/411422083.db2.gz CQOHHCXJGZJCDO-HLTSFMKQSA-N 1 2 238.291 -0.622 20 0 BBADLO C[C@H](c1nccc(N)n1)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000653562644 411422081 /nfs/dbraw/zinc/42/20/81/411422081.db2.gz CQOHHCXJGZJCDO-HLTSFMKQSA-N 1 2 238.291 -0.622 20 0 BBADLO C[C@@H](c1nccc(N)n1)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000653562645 411422463 /nfs/dbraw/zinc/42/24/63/411422463.db2.gz CQOHHCXJGZJCDO-XHNCKOQMSA-N 1 2 238.291 -0.622 20 0 BBADLO C[C@@H](c1nccc(N)n1)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000653562645 411422459 /nfs/dbraw/zinc/42/24/59/411422459.db2.gz CQOHHCXJGZJCDO-XHNCKOQMSA-N 1 2 238.291 -0.622 20 0 BBADLO CC(=O)c1cc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)on1 ZINC000653562760 411422364 /nfs/dbraw/zinc/42/23/64/411422364.db2.gz JAZMDRQZODZDJF-DTORHVGOSA-N 1 2 240.259 -0.195 20 0 BBADLO CC(=O)c1cc(C[N@H+]2C[C@H](O)C[C@H](O)C2)on1 ZINC000653562760 411422361 /nfs/dbraw/zinc/42/23/61/411422361.db2.gz JAZMDRQZODZDJF-DTORHVGOSA-N 1 2 240.259 -0.195 20 0 BBADLO CNC(=O)CCC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000653564870 411423414 /nfs/dbraw/zinc/42/34/14/411423414.db2.gz PRURHIUWJVRRNC-UHFFFAOYSA-N 1 2 239.319 -0.181 20 0 BBADLO CNC(=O)CCC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000653564870 411423411 /nfs/dbraw/zinc/42/34/11/411423411.db2.gz PRURHIUWJVRRNC-UHFFFAOYSA-N 1 2 239.319 -0.181 20 0 BBADLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1ncccc1O ZINC000653704319 411196022 /nfs/dbraw/zinc/19/60/22/411196022.db2.gz IPJUAJYZQXMOOG-VIFPVBQESA-N 1 2 239.275 -0.281 20 0 BBADLO COC[C@@H](C(N)=O)[N@H+](C)Cc1ncccc1O ZINC000653704319 411196021 /nfs/dbraw/zinc/19/60/21/411196021.db2.gz IPJUAJYZQXMOOG-VIFPVBQESA-N 1 2 239.275 -0.281 20 0 BBADLO OCC(CO)[NH2+]Cc1noc2c1CCCC2 ZINC000653733364 411276338 /nfs/dbraw/zinc/27/63/38/411276338.db2.gz JNRQIHVIADWZFF-UHFFFAOYSA-N 1 2 226.276 -0.004 20 0 BBADLO CCc1nnc(C[NH2+]C(CO)CO)s1 ZINC000653734314 411278334 /nfs/dbraw/zinc/27/83/34/411278334.db2.gz DJVKWHGYFNCSAR-UHFFFAOYSA-N 1 2 217.294 -0.457 20 0 BBADLO OCC(CO)[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000653734902 411279279 /nfs/dbraw/zinc/27/92/79/411279279.db2.gz UOQWXLFBEUPTSZ-UHFFFAOYSA-N 1 2 248.286 -0.290 20 0 BBADLO c1nnn2c1CN(CC[NH+]1CCOCC1)CC2 ZINC000653794198 411180773 /nfs/dbraw/zinc/18/07/73/411180773.db2.gz GWEQISBLLGBRPS-UHFFFAOYSA-N 1 2 237.307 -0.574 20 0 BBADLO Cn1cnnc1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000653819190 411192439 /nfs/dbraw/zinc/19/24/39/411192439.db2.gz QRHSCFICERREBQ-UHFFFAOYSA-N 1 2 247.306 -0.140 20 0 BBADLO Cn1cnnc1N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000653824139 411193876 /nfs/dbraw/zinc/19/38/76/411193876.db2.gz UPPBOHJKZCYKFC-UHFFFAOYSA-N 1 2 247.306 -0.140 20 0 BBADLO O[C@@H]1C[C@H]2CN(Cc3cnn[nH]3)CC[N@H+]2C1 ZINC000653829749 487595011 /nfs/dbraw/zinc/59/50/11/487595011.db2.gz VNRUZQOOSRYUOW-VHSXEESVSA-N 1 2 223.280 -0.945 20 0 BBADLO O[C@@H]1C[C@H]2CN(Cc3cnn[nH]3)CC[N@@H+]2C1 ZINC000653829749 487595006 /nfs/dbraw/zinc/59/50/06/487595006.db2.gz VNRUZQOOSRYUOW-VHSXEESVSA-N 1 2 223.280 -0.945 20 0 BBADLO C[C@H](O)C[N@@H+](Cc1nc(N)nc(N)n1)C1CC1 ZINC000653896259 411212963 /nfs/dbraw/zinc/21/29/63/411212963.db2.gz OMGXPJHTIUXFDJ-LURJTMIESA-N 1 2 238.295 -0.619 20 0 BBADLO C[C@H](O)C[N@H+](Cc1nc(N)nc(N)n1)C1CC1 ZINC000653896259 411212961 /nfs/dbraw/zinc/21/29/61/411212961.db2.gz OMGXPJHTIUXFDJ-LURJTMIESA-N 1 2 238.295 -0.619 20 0 BBADLO C[C@@H](O)C[N@@H+](Cc1nc(N)nc(N)n1)C1CC1 ZINC000653896260 411212806 /nfs/dbraw/zinc/21/28/06/411212806.db2.gz OMGXPJHTIUXFDJ-ZCFIWIBFSA-N 1 2 238.295 -0.619 20 0 BBADLO C[C@@H](O)C[N@H+](Cc1nc(N)nc(N)n1)C1CC1 ZINC000653896260 411212805 /nfs/dbraw/zinc/21/28/05/411212805.db2.gz OMGXPJHTIUXFDJ-ZCFIWIBFSA-N 1 2 238.295 -0.619 20 0 BBADLO C[C@@H](O)C[N@@H+](Cc1nnnn1C)C1CC1 ZINC000653898602 411216355 /nfs/dbraw/zinc/21/63/55/411216355.db2.gz MDRUOCNGGVCGDF-SSDOTTSWSA-N 1 2 211.269 -0.445 20 0 BBADLO C[C@@H](O)C[N@H+](Cc1nnnn1C)C1CC1 ZINC000653898602 411216353 /nfs/dbraw/zinc/21/63/53/411216353.db2.gz MDRUOCNGGVCGDF-SSDOTTSWSA-N 1 2 211.269 -0.445 20 0 BBADLO C[C@H](O)C[N@@H+](Cc1nnnn1C)C1CC1 ZINC000653898603 411216424 /nfs/dbraw/zinc/21/64/24/411216424.db2.gz MDRUOCNGGVCGDF-ZETCQYMHSA-N 1 2 211.269 -0.445 20 0 BBADLO C[C@H](O)C[N@H+](Cc1nnnn1C)C1CC1 ZINC000653898603 411216422 /nfs/dbraw/zinc/21/64/22/411216422.db2.gz MDRUOCNGGVCGDF-ZETCQYMHSA-N 1 2 211.269 -0.445 20 0 BBADLO C[C@H](O)C[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000653902704 411217207 /nfs/dbraw/zinc/21/72/07/411217207.db2.gz ZMBPDXPUZOHRFG-LURJTMIESA-N 1 2 212.253 -0.145 20 0 BBADLO C[C@H](O)C[N@H+](Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000653902704 411217206 /nfs/dbraw/zinc/21/72/06/411217206.db2.gz ZMBPDXPUZOHRFG-LURJTMIESA-N 1 2 212.253 -0.145 20 0 BBADLO C[C@@H](O)C[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000653902705 411217996 /nfs/dbraw/zinc/21/79/96/411217996.db2.gz ZMBPDXPUZOHRFG-ZCFIWIBFSA-N 1 2 212.253 -0.145 20 0 BBADLO C[C@@H](O)C[N@H+](Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000653902705 411217994 /nfs/dbraw/zinc/21/79/94/411217994.db2.gz ZMBPDXPUZOHRFG-ZCFIWIBFSA-N 1 2 212.253 -0.145 20 0 BBADLO CCS(=O)(=O)C1CN(C(=O)[C@H](C)[NH+](C)C)C1 ZINC000653961409 411269953 /nfs/dbraw/zinc/26/99/53/411269953.db2.gz ASRNVKRSMCSHMS-QMMMGPOBSA-N 1 2 248.348 -0.418 20 0 BBADLO CCNC(=O)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000654405249 411390297 /nfs/dbraw/zinc/39/02/97/411390297.db2.gz GZZWZXBZAIPMAI-UHFFFAOYSA-N 1 2 227.308 -0.420 20 0 BBADLO CCNC(=O)CN(C)C(=O)C[NH+]1CC(C)(C)C1 ZINC000654544334 411411170 /nfs/dbraw/zinc/41/11/70/411411170.db2.gz UZJBIOQIBSLDFP-UHFFFAOYSA-N 1 2 241.335 -0.077 20 0 BBADLO CC(C)(NC(=O)C[NH+]1CC(C)(C)C1)C(N)=O ZINC000654574971 411413207 /nfs/dbraw/zinc/41/32/07/411413207.db2.gz HZUCTXQIYDBKSA-UHFFFAOYSA-N 1 2 227.308 -0.292 20 0 BBADLO CC1(C)C[NH+](CC(=O)NCc2nc[nH]n2)C1 ZINC000654597191 411416453 /nfs/dbraw/zinc/41/64/53/411416453.db2.gz UYSMLZDYOSRQJV-UHFFFAOYSA-N 1 2 223.280 -0.237 20 0 BBADLO CC1(C)C[NH+](CC(=O)NCc2nnc[nH]2)C1 ZINC000654597191 411416452 /nfs/dbraw/zinc/41/64/52/411416452.db2.gz UYSMLZDYOSRQJV-UHFFFAOYSA-N 1 2 223.280 -0.237 20 0 BBADLO C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000654699747 411431768 /nfs/dbraw/zinc/43/17/68/411431768.db2.gz QOXFFFVEKPRYHH-SECBINFHSA-N 1 2 239.319 -0.325 20 0 BBADLO C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000654699748 411432222 /nfs/dbraw/zinc/43/22/22/411432222.db2.gz QOXFFFVEKPRYHH-VIFPVBQESA-N 1 2 239.319 -0.325 20 0 BBADLO C[C@@H]1CC[N@@H+](CC(=O)NCc2nn[nH]n2)C1 ZINC000654772113 411442105 /nfs/dbraw/zinc/44/21/05/411442105.db2.gz LKAWUSSXKPSVOC-SSDOTTSWSA-N 1 2 224.268 -0.842 20 0 BBADLO C[C@@H]1CC[N@H+](CC(=O)NCc2nn[nH]n2)C1 ZINC000654772113 411442103 /nfs/dbraw/zinc/44/21/03/411442103.db2.gz LKAWUSSXKPSVOC-SSDOTTSWSA-N 1 2 224.268 -0.842 20 0 BBADLO C[C@H]1CC[N@@H+](CC(=O)NCc2nn[nH]n2)C1 ZINC000654772118 411442584 /nfs/dbraw/zinc/44/25/84/411442584.db2.gz LKAWUSSXKPSVOC-ZETCQYMHSA-N 1 2 224.268 -0.842 20 0 BBADLO C[C@H]1CC[N@H+](CC(=O)NCc2nn[nH]n2)C1 ZINC000654772118 411442582 /nfs/dbraw/zinc/44/25/82/411442582.db2.gz LKAWUSSXKPSVOC-ZETCQYMHSA-N 1 2 224.268 -0.842 20 0 BBADLO CC1(C)C[NH+](CC(=O)NCc2nn[nH]n2)C1 ZINC000654772603 411442705 /nfs/dbraw/zinc/44/27/05/411442705.db2.gz YQHKJPBDNVKHLW-UHFFFAOYSA-N 1 2 224.268 -0.842 20 0 BBADLO C[C@H](C(=O)NCCc1nc[nH]n1)[NH+]1CC(C)C1 ZINC000654834806 411452763 /nfs/dbraw/zinc/45/27/63/411452763.db2.gz JYRFLXTYARQDNH-SECBINFHSA-N 1 2 237.307 -0.196 20 0 BBADLO C[C@@H](C(=O)NCCc1nc[nH]n1)[NH+]1CC(C)C1 ZINC000654834807 411453567 /nfs/dbraw/zinc/45/35/67/411453567.db2.gz JYRFLXTYARQDNH-VIFPVBQESA-N 1 2 237.307 -0.196 20 0 BBADLO CC1(C)C[NH+](CC(=O)N2C[C@H](O)C[C@H](O)C2)C1 ZINC000654851225 411455055 /nfs/dbraw/zinc/45/50/55/411455055.db2.gz WZXIKOLFPZLIIF-AOOOYVTPSA-N 1 2 242.319 -0.718 20 0 BBADLO C[C@@H]1CC[N@@H+](CC(=O)NCc2n[nH]c(=O)[nH]2)C1 ZINC000654853663 411455367 /nfs/dbraw/zinc/45/53/67/411455367.db2.gz GIIHFZWTCHBIEO-SSDOTTSWSA-N 1 2 239.279 -0.532 20 0 BBADLO C[C@@H]1CC[N@H+](CC(=O)NCc2n[nH]c(=O)[nH]2)C1 ZINC000654853663 411455363 /nfs/dbraw/zinc/45/53/63/411455363.db2.gz GIIHFZWTCHBIEO-SSDOTTSWSA-N 1 2 239.279 -0.532 20 0 BBADLO C[C@H]1CC[N@@H+](CC(=O)NCc2n[nH]c(=O)[nH]2)C1 ZINC000654853664 411455646 /nfs/dbraw/zinc/45/56/46/411455646.db2.gz GIIHFZWTCHBIEO-ZETCQYMHSA-N 1 2 239.279 -0.532 20 0 BBADLO C[C@H]1CC[N@H+](CC(=O)NCc2n[nH]c(=O)[nH]2)C1 ZINC000654853664 411455644 /nfs/dbraw/zinc/45/56/44/411455644.db2.gz GIIHFZWTCHBIEO-ZETCQYMHSA-N 1 2 239.279 -0.532 20 0 BBADLO CC1(C)C[NH+](CC(=O)NCc2c[nH]nn2)C1 ZINC000654853706 411454970 /nfs/dbraw/zinc/45/49/70/411454970.db2.gz IBMVDZOGCQHABL-UHFFFAOYSA-N 1 2 223.280 -0.237 20 0 BBADLO CC1(C)C[NH+](CC(=O)NCc2cn[nH]n2)C1 ZINC000654853706 411454968 /nfs/dbraw/zinc/45/49/68/411454968.db2.gz IBMVDZOGCQHABL-UHFFFAOYSA-N 1 2 223.280 -0.237 20 0 BBADLO CC1(C)C[NH+](CC(=O)NCc2n[nH]c(=O)[nH]2)C1 ZINC000654853725 411455589 /nfs/dbraw/zinc/45/55/89/411455589.db2.gz JRNKQJIPWLKKAE-UHFFFAOYSA-N 1 2 239.279 -0.532 20 0 BBADLO CC1(C)C[NH+](CC(=O)NC2(C(N)=O)CC2)C1 ZINC000654891146 411461297 /nfs/dbraw/zinc/46/12/97/411461297.db2.gz DGADSVIGCGZXMB-UHFFFAOYSA-N 1 2 225.292 -0.538 20 0 BBADLO CC1(C)C[NH+](CC(=O)NC2(C(N)=O)CCC2)C1 ZINC000654935562 411465483 /nfs/dbraw/zinc/46/54/83/411465483.db2.gz RDABWXGLROKDRM-UHFFFAOYSA-N 1 2 239.319 -0.148 20 0 BBADLO Cc1c[nH+]c2cc(C(=O)NC(CO)CO)ccn12 ZINC000654976173 411469889 /nfs/dbraw/zinc/46/98/89/411469889.db2.gz FJXYTEULCLIHOR-UHFFFAOYSA-N 1 2 249.270 -0.274 20 0 BBADLO Cn1cc(CNC(=O)C[NH+]2CC(C)(C)C2)nn1 ZINC000654994099 411472386 /nfs/dbraw/zinc/47/23/86/411472386.db2.gz GGUZEEFYFNURBD-UHFFFAOYSA-N 1 2 237.307 -0.227 20 0 BBADLO COC[C@@](C)(CO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000655001090 411473859 /nfs/dbraw/zinc/47/38/59/411473859.db2.gz QJFPXCRDHBXGKN-GFCCVEGCSA-N 1 2 244.335 -0.158 20 0 BBADLO COC[C@](C)(CO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000655001091 411473664 /nfs/dbraw/zinc/47/36/64/411473664.db2.gz QJFPXCRDHBXGKN-LBPRGKRZSA-N 1 2 244.335 -0.158 20 0 BBADLO C[C@@H](C(=O)N1C[C@@H](O)C[C@@H]1C)[NH+]1CCOCC1 ZINC000655020956 411478817 /nfs/dbraw/zinc/47/88/17/411478817.db2.gz AEDQJUDYBJDRHQ-DCAQKATOSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H](C(=O)N1C[C@H](O)C[C@@H]1C)[NH+]1CCOCC1 ZINC000655020957 411479076 /nfs/dbraw/zinc/47/90/76/411479076.db2.gz AEDQJUDYBJDRHQ-GARJFASQSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H](C(=O)N1C[C@H](O)C[C@H]1C)[NH+]1CCOCC1 ZINC000655020958 411479321 /nfs/dbraw/zinc/47/93/21/411479321.db2.gz AEDQJUDYBJDRHQ-OUAUKWLOSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H](C(=O)N1C[C@@H](O)C[C@H]1C)[NH+]1CCOCC1 ZINC000655020959 411478912 /nfs/dbraw/zinc/47/89/12/411478912.db2.gz AEDQJUDYBJDRHQ-VWYCJHECSA-N 1 2 242.319 -0.311 20 0 BBADLO COC[C@@H](CO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000655044958 411483592 /nfs/dbraw/zinc/48/35/92/411483592.db2.gz WIYKPTIFSZHXBA-SECBINFHSA-N 1 2 230.308 -0.548 20 0 BBADLO C[C@](O)(CO)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000655045370 411483775 /nfs/dbraw/zinc/48/37/75/411483775.db2.gz FXBLOPUFMHUXEC-LLVKDONJSA-N 1 2 230.308 -0.812 20 0 BBADLO C[C@@](O)(CO)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000655045371 411484389 /nfs/dbraw/zinc/48/43/89/411484389.db2.gz FXBLOPUFMHUXEC-NSHDSACASA-N 1 2 230.308 -0.812 20 0 BBADLO CC(C)[NH+]1CC(NC(=O)C(=O)NCC(F)F)C1 ZINC000655051862 411487250 /nfs/dbraw/zinc/48/72/50/411487250.db2.gz UIAOOONKJNFHCD-UHFFFAOYSA-N 1 2 249.261 -0.424 20 0 BBADLO CC(C)[NH+]1CC(NC(=O)C(=O)NC2CC2)C1 ZINC000655052358 411485387 /nfs/dbraw/zinc/48/53/87/411485387.db2.gz XOXWTQQHELLSOK-UHFFFAOYSA-N 1 2 225.292 -0.526 20 0 BBADLO CC1(C)C[NH+](CC(=O)NC2COCCOC2)C1 ZINC000655104462 411496127 /nfs/dbraw/zinc/49/61/27/411496127.db2.gz HKBXQPRLUFMYBU-UHFFFAOYSA-N 1 2 242.319 -0.140 20 0 BBADLO CCn1cc[nH+]c1CNC(=O)Cn1cnnn1 ZINC000655126659 411500123 /nfs/dbraw/zinc/50/01/23/411500123.db2.gz RYWUXCKPLSNFSQ-UHFFFAOYSA-N 1 2 235.251 -0.794 20 0 BBADLO CCn1cc[nH+]c1CNC(=O)[C@](C)(O)COC ZINC000655128079 411501282 /nfs/dbraw/zinc/50/12/82/411501282.db2.gz PJCZAWDTAICIHG-LLVKDONJSA-N 1 2 241.291 -0.083 20 0 BBADLO CCn1cc[nH+]c1CNC(=O)[C@@](C)(O)COC ZINC000655128080 411501120 /nfs/dbraw/zinc/50/11/20/411501120.db2.gz PJCZAWDTAICIHG-NSHDSACASA-N 1 2 241.291 -0.083 20 0 BBADLO CC1(C)C[NH+](CC(=O)N2CCC[C@@H]2C(N)=O)C1 ZINC000655130720 411501555 /nfs/dbraw/zinc/50/15/55/411501555.db2.gz SXMGTWVOIGXMPZ-SECBINFHSA-N 1 2 239.319 -0.196 20 0 BBADLO CC[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)C(=O)NC ZINC000655141823 411503631 /nfs/dbraw/zinc/50/36/31/411503631.db2.gz MAQGMXTTWUIOSR-SECBINFHSA-N 1 2 241.335 -0.031 20 0 BBADLO CC[C@H](NC(=O)C[NH+]1CC(C)(C)C1)C(=O)NC ZINC000655141824 411503601 /nfs/dbraw/zinc/50/36/01/411503601.db2.gz MAQGMXTTWUIOSR-VIFPVBQESA-N 1 2 241.335 -0.031 20 0 BBADLO C[C@@H]1C(=O)N(C)CN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000655160271 488005870 /nfs/dbraw/zinc/00/58/70/488005870.db2.gz IXCJBWRULMJAJY-SECBINFHSA-N 1 2 239.319 -0.025 20 0 BBADLO C[C@H]1C(=O)N(C)CN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000655160272 488005506 /nfs/dbraw/zinc/00/55/06/488005506.db2.gz IXCJBWRULMJAJY-VIFPVBQESA-N 1 2 239.319 -0.025 20 0 BBADLO CO[C@@](C)(CO)CNC(=O)CCn1cc[nH+]c1 ZINC000655210002 409539422 /nfs/dbraw/zinc/53/94/22/409539422.db2.gz MHWQAYZUORKSGY-LLVKDONJSA-N 1 2 241.291 -0.213 20 0 BBADLO CO[C@](C)(CO)CNC(=O)CCn1cc[nH+]c1 ZINC000655210004 409537717 /nfs/dbraw/zinc/53/77/17/409537717.db2.gz MHWQAYZUORKSGY-NSHDSACASA-N 1 2 241.291 -0.213 20 0 BBADLO CO[C@](C)(CO)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000655212278 409572899 /nfs/dbraw/zinc/57/28/99/409572899.db2.gz JEGUKWORLVUBTR-JTQLQIEISA-N 1 2 227.264 -0.155 20 0 BBADLO CO[C@@](C)(CO)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000655212279 409571710 /nfs/dbraw/zinc/57/17/10/409571710.db2.gz JEGUKWORLVUBTR-SNVBAGLBSA-N 1 2 227.264 -0.155 20 0 BBADLO CO[C@](C)(CO)CNC(=O)Cn1cc[nH+]c1 ZINC000655212486 409571633 /nfs/dbraw/zinc/57/16/33/409571633.db2.gz LGIDPYVIZUHUEL-JTQLQIEISA-N 1 2 227.264 -0.603 20 0 BBADLO CO[C@@](C)(CO)CNC(=O)Cn1cc[nH+]c1 ZINC000655212487 409572085 /nfs/dbraw/zinc/57/20/85/409572085.db2.gz LGIDPYVIZUHUEL-SNVBAGLBSA-N 1 2 227.264 -0.603 20 0 BBADLO CO[C@@](C)(CO)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000655219412 409611894 /nfs/dbraw/zinc/61/18/94/409611894.db2.gz WZLPSOGYFRFFHB-GFCCVEGCSA-N 1 2 244.335 -0.158 20 0 BBADLO CO[C@](C)(CO)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000655219414 409611073 /nfs/dbraw/zinc/61/10/73/409611073.db2.gz WZLPSOGYFRFFHB-LBPRGKRZSA-N 1 2 244.335 -0.158 20 0 BBADLO CO[C@@](C)(CO)CNC(=O)Cc1c[nH+]cn1C ZINC000655219418 409610145 /nfs/dbraw/zinc/61/01/45/409610145.db2.gz YUNLCVCBQMEDSZ-LLVKDONJSA-N 1 2 241.291 -0.524 20 0 BBADLO CO[C@](C)(CO)CNC(=O)Cc1c[nH+]cn1C ZINC000655219422 409610890 /nfs/dbraw/zinc/61/08/90/409610890.db2.gz YUNLCVCBQMEDSZ-NSHDSACASA-N 1 2 241.291 -0.524 20 0 BBADLO CO[C@@](C)(CO)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000655219802 409610641 /nfs/dbraw/zinc/61/06/41/409610641.db2.gz KNXBLEOOJWJZDN-LLVKDONJSA-N 1 2 241.291 -0.144 20 0 BBADLO CO[C@@](C)(CO)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000655219802 409610638 /nfs/dbraw/zinc/61/06/38/409610638.db2.gz KNXBLEOOJWJZDN-LLVKDONJSA-N 1 2 241.291 -0.144 20 0 BBADLO CO[C@](C)(CO)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000655219806 409611930 /nfs/dbraw/zinc/61/19/30/409611930.db2.gz KNXBLEOOJWJZDN-NSHDSACASA-N 1 2 241.291 -0.144 20 0 BBADLO CO[C@](C)(CO)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000655219806 409611922 /nfs/dbraw/zinc/61/19/22/409611922.db2.gz KNXBLEOOJWJZDN-NSHDSACASA-N 1 2 241.291 -0.144 20 0 BBADLO CO[C@@](C)(CO)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000655220368 409615449 /nfs/dbraw/zinc/61/54/49/409615449.db2.gz TYTXAVUKUKBDOS-LLVKDONJSA-N 1 2 241.291 -0.144 20 0 BBADLO CO[C@](C)(CO)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000655220369 409614722 /nfs/dbraw/zinc/61/47/22/409614722.db2.gz TYTXAVUKUKBDOS-NSHDSACASA-N 1 2 241.291 -0.144 20 0 BBADLO CO[C@@](C)(CO)CNC(=O)Cc1[nH+]c[nH]c1C ZINC000655220416 409615214 /nfs/dbraw/zinc/61/52/14/409615214.db2.gz UZOAZNRHECYXAR-LLVKDONJSA-N 1 2 241.291 -0.226 20 0 BBADLO CO[C@@](C)(CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC000655220416 409615208 /nfs/dbraw/zinc/61/52/08/409615208.db2.gz UZOAZNRHECYXAR-LLVKDONJSA-N 1 2 241.291 -0.226 20 0 BBADLO CO[C@](C)(CO)CNC(=O)Cc1[nH+]c[nH]c1C ZINC000655220417 409614962 /nfs/dbraw/zinc/61/49/62/409614962.db2.gz UZOAZNRHECYXAR-NSHDSACASA-N 1 2 241.291 -0.226 20 0 BBADLO CO[C@](C)(CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC000655220417 409614957 /nfs/dbraw/zinc/61/49/57/409614957.db2.gz UZOAZNRHECYXAR-NSHDSACASA-N 1 2 241.291 -0.226 20 0 BBADLO C[C@H](O)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000655375085 490348108 /nfs/dbraw/zinc/34/81/08/490348108.db2.gz IMUSUWLPEUPPDZ-GXSJLCMTSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@H](O)CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000655375085 490348104 /nfs/dbraw/zinc/34/81/04/490348104.db2.gz IMUSUWLPEUPPDZ-GXSJLCMTSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H](O)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000655375086 490348064 /nfs/dbraw/zinc/34/80/64/490348064.db2.gz IMUSUWLPEUPPDZ-KOLCDFICSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H](O)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000655375086 490348057 /nfs/dbraw/zinc/34/80/57/490348057.db2.gz IMUSUWLPEUPPDZ-KOLCDFICSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H](O)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000655375087 490347994 /nfs/dbraw/zinc/34/79/94/490347994.db2.gz IMUSUWLPEUPPDZ-MWLCHTKSSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H](O)CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000655375087 490347989 /nfs/dbraw/zinc/34/79/89/490347989.db2.gz IMUSUWLPEUPPDZ-MWLCHTKSSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@H](O)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000655375088 490348027 /nfs/dbraw/zinc/34/80/27/490348027.db2.gz IMUSUWLPEUPPDZ-ONGXEEELSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@H](O)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000655375088 490348022 /nfs/dbraw/zinc/34/80/22/490348022.db2.gz IMUSUWLPEUPPDZ-ONGXEEELSA-N 1 2 242.319 -0.311 20 0 BBADLO COc1nccnc1C[NH2+]C1CN(C(C)=O)C1 ZINC000655802150 411518623 /nfs/dbraw/zinc/51/86/23/411518623.db2.gz CWRCHCJLFCTCFF-UHFFFAOYSA-N 1 2 236.275 -0.195 20 0 BBADLO C[C@H](CC(N)=O)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000655816293 411527474 /nfs/dbraw/zinc/52/74/74/411527474.db2.gz UEZUQPZERNMMFZ-SSDOTTSWSA-N 1 2 240.311 -0.218 20 0 BBADLO C[C@@H](CC(N)=O)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000655816294 411527092 /nfs/dbraw/zinc/52/70/92/411527092.db2.gz UEZUQPZERNMMFZ-ZETCQYMHSA-N 1 2 240.311 -0.218 20 0 BBADLO Cn1ncc2c1nc(N)[nH+]c2N1CCC[C@@H](O)C1 ZINC000656105188 411179034 /nfs/dbraw/zinc/17/90/34/411179034.db2.gz PFWSTSOJHKBIDI-SSDOTTSWSA-N 1 2 248.290 -0.093 20 0 BBADLO Cn1ncc2c1nc(N)[nH+]c2N1CC[C@@H](CO)C1 ZINC000656128306 411183205 /nfs/dbraw/zinc/18/32/05/411183205.db2.gz MTSJTAXMYVAKMO-SSDOTTSWSA-N 1 2 248.290 -0.236 20 0 BBADLO Cn1ncc2c1nc(N)[nH+]c2N1CC[C@H](CO)C1 ZINC000656128307 411183493 /nfs/dbraw/zinc/18/34/93/411183493.db2.gz MTSJTAXMYVAKMO-ZETCQYMHSA-N 1 2 248.290 -0.236 20 0 BBADLO COc1c(N)[nH+]cnc1NCc1n[nH]c(=O)[nH]1 ZINC000656141493 411185661 /nfs/dbraw/zinc/18/56/61/411185661.db2.gz JJRURYWKSBRXHU-UHFFFAOYSA-N 1 2 237.223 -0.497 20 0 BBADLO COc1c(C)[nH+]cnc1NC[C@@H](O)CO ZINC000656148204 411186173 /nfs/dbraw/zinc/18/61/73/411186173.db2.gz FCSOAMTYWIGAIC-SSDOTTSWSA-N 1 2 213.237 -0.441 20 0 BBADLO COc1c(C)[nH+]cnc1NC[C@H](O)CO ZINC000656148205 411186102 /nfs/dbraw/zinc/18/61/02/411186102.db2.gz FCSOAMTYWIGAIC-ZETCQYMHSA-N 1 2 213.237 -0.441 20 0 BBADLO COc1c(C)[nH+]cnc1NCCc1nnnn1C ZINC000656151859 411187270 /nfs/dbraw/zinc/18/72/70/411187270.db2.gz LUBDMZGBQVKVEY-UHFFFAOYSA-N 1 2 249.278 -0.028 20 0 BBADLO CC(C)(C)n1nnc(C[NH2+]CCC(N)=O)n1 ZINC000656154914 411188341 /nfs/dbraw/zinc/18/83/41/411188341.db2.gz BTWRTEIRBBJNAS-UHFFFAOYSA-N 1 2 226.284 -0.607 20 0 BBADLO C[C@@H](O)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000656155104 411188450 /nfs/dbraw/zinc/18/84/50/411188450.db2.gz IFACIVWETCRQNN-SSDOTTSWSA-N 1 2 213.285 -0.102 20 0 BBADLO C[C@H](O)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000656155105 411188646 /nfs/dbraw/zinc/18/86/46/411188646.db2.gz IFACIVWETCRQNN-ZETCQYMHSA-N 1 2 213.285 -0.102 20 0 BBADLO COC[C@H](O)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000656155284 411186075 /nfs/dbraw/zinc/18/60/75/411186075.db2.gz PTEQJCGXBOBPLB-MRVPVSSYSA-N 1 2 243.311 -0.475 20 0 BBADLO COC[C@@H](O)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000656155285 411186408 /nfs/dbraw/zinc/18/64/08/411186408.db2.gz PTEQJCGXBOBPLB-QMMMGPOBSA-N 1 2 243.311 -0.475 20 0 BBADLO COc1c(C)[nH+]cnc1NCc1nnn(C)n1 ZINC000656182111 411194185 /nfs/dbraw/zinc/19/41/85/411194185.db2.gz ONBIIOCCARJGLU-UHFFFAOYSA-N 1 2 235.251 -0.071 20 0 BBADLO COc1c(C)[nH+]cnc1NC[C@](C)(O)CO ZINC000656183329 411195999 /nfs/dbraw/zinc/19/59/99/411195999.db2.gz AYWVWUXZLXFNCC-JTQLQIEISA-N 1 2 227.264 -0.051 20 0 BBADLO COc1c(C)[nH+]cnc1NC[C@@](C)(O)CO ZINC000656183335 411195809 /nfs/dbraw/zinc/19/58/09/411195809.db2.gz AYWVWUXZLXFNCC-SNVBAGLBSA-N 1 2 227.264 -0.051 20 0 BBADLO COc1c(N)nc[nH+]c1N1CC[C@@](F)(CO)C1 ZINC000656185829 488062985 /nfs/dbraw/zinc/06/29/85/488062985.db2.gz NYAUFDOZTIJXHJ-JTQLQIEISA-N 1 2 242.254 -0.022 20 0 BBADLO COc1c(N)[nH+]cnc1N1CC[C@@](F)(CO)C1 ZINC000656185829 488062978 /nfs/dbraw/zinc/06/29/78/488062978.db2.gz NYAUFDOZTIJXHJ-JTQLQIEISA-N 1 2 242.254 -0.022 20 0 BBADLO COc1c(N)nc[nH+]c1N1CC[C@](F)(CO)C1 ZINC000656185830 411196613 /nfs/dbraw/zinc/19/66/13/411196613.db2.gz NYAUFDOZTIJXHJ-SNVBAGLBSA-N 1 2 242.254 -0.022 20 0 BBADLO COc1c(N)[nH+]cnc1N1CC[C@](F)(CO)C1 ZINC000656185830 411196611 /nfs/dbraw/zinc/19/66/11/411196611.db2.gz NYAUFDOZTIJXHJ-SNVBAGLBSA-N 1 2 242.254 -0.022 20 0 BBADLO COc1c(N)nc[nH+]c1N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000656189285 411197658 /nfs/dbraw/zinc/19/76/58/411197658.db2.gz JSFFXPBRTWEGOS-JIGDXULJSA-N 1 2 236.275 -0.258 20 0 BBADLO COc1c(N)[nH+]cnc1N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000656189285 411197657 /nfs/dbraw/zinc/19/76/57/411197657.db2.gz JSFFXPBRTWEGOS-JIGDXULJSA-N 1 2 236.275 -0.258 20 0 BBADLO Cn1ncc2c1nc(N)[nH+]c2N1CCO[C@@H]2C[C@@H]21 ZINC000656189328 411197216 /nfs/dbraw/zinc/19/72/16/411197216.db2.gz NNNDKVOFAHEKMR-JGVFFNPUSA-N 1 2 246.274 -0.077 20 0 BBADLO Cn1ncc2c1nc(N)[nH+]c2N1CCO[C@H]2C[C@H]21 ZINC000656189329 411197103 /nfs/dbraw/zinc/19/71/03/411197103.db2.gz NNNDKVOFAHEKMR-SFYZADRCSA-N 1 2 246.274 -0.077 20 0 BBADLO Cc1nc(N2CC(O)(CO)C2)c(C)c(C)[nH+]1 ZINC000656192603 411198210 /nfs/dbraw/zinc/19/82/10/411198210.db2.gz IMMIXDSHTKSWAM-UHFFFAOYSA-N 1 2 223.276 -0.055 20 0 BBADLO COc1c(C)[nH+]cnc1N1C[C@H](O)[C@@H](CO)C1 ZINC000656200560 491100740 /nfs/dbraw/zinc/10/07/40/491100740.db2.gz RCGJOHXKVRSSEA-BDAKNGLRSA-N 1 2 239.275 -0.417 20 0 BBADLO COc1c(C)[nH+]cnc1N1C[C@@H](O)[C@H](CO)C1 ZINC000656200562 488066139 /nfs/dbraw/zinc/06/61/39/488066139.db2.gz RCGJOHXKVRSSEA-DTWKUNHWSA-N 1 2 239.275 -0.417 20 0 BBADLO COc1c(C)[nH+]cnc1N1C[C@H](O)[C@H](CO)C1 ZINC000656200563 488066531 /nfs/dbraw/zinc/06/65/31/488066531.db2.gz RCGJOHXKVRSSEA-IUCAKERBSA-N 1 2 239.275 -0.417 20 0 BBADLO COc1c(C)[nH+]cnc1N1C[C@H](CO)[C@H](O)C1 ZINC000656200564 488066205 /nfs/dbraw/zinc/06/62/05/488066205.db2.gz RCGJOHXKVRSSEA-RKDXNWHRSA-N 1 2 239.275 -0.417 20 0 BBADLO COc1c(N)nc[nH+]c1N[C@H]1C[C@@H](C(N)=O)C1 ZINC000656204050 411207817 /nfs/dbraw/zinc/20/78/17/411207817.db2.gz POFSREWKJAYSJF-OLQVQODUSA-N 1 2 237.263 -0.257 20 0 BBADLO COc1c(N)[nH+]cnc1N[C@H]1C[C@@H](C(N)=O)C1 ZINC000656204050 411207816 /nfs/dbraw/zinc/20/78/16/411207816.db2.gz POFSREWKJAYSJF-OLQVQODUSA-N 1 2 237.263 -0.257 20 0 BBADLO COc1c(N)nc[nH+]c1NC[C@@](C)(CO)OC ZINC000656209856 411210514 /nfs/dbraw/zinc/21/05/14/411210514.db2.gz XQMKUJQFEKEJTO-JTQLQIEISA-N 1 2 242.279 -0.123 20 0 BBADLO COc1c(N)[nH+]cnc1NC[C@@](C)(CO)OC ZINC000656209856 411210512 /nfs/dbraw/zinc/21/05/12/411210512.db2.gz XQMKUJQFEKEJTO-JTQLQIEISA-N 1 2 242.279 -0.123 20 0 BBADLO COc1c(N)nc[nH+]c1NC[C@](C)(CO)OC ZINC000656209857 411210799 /nfs/dbraw/zinc/21/07/99/411210799.db2.gz XQMKUJQFEKEJTO-SNVBAGLBSA-N 1 2 242.279 -0.123 20 0 BBADLO COc1c(N)[nH+]cnc1NC[C@](C)(CO)OC ZINC000656209857 411210796 /nfs/dbraw/zinc/21/07/96/411210796.db2.gz XQMKUJQFEKEJTO-SNVBAGLBSA-N 1 2 242.279 -0.123 20 0 BBADLO Cn1cnnc1N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000656271181 411226709 /nfs/dbraw/zinc/22/67/09/411226709.db2.gz DZYKJGUZJQOWLS-UHFFFAOYSA-N 1 2 247.306 -0.140 20 0 BBADLO Cc1[nH]ncc1CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656273105 411223376 /nfs/dbraw/zinc/22/33/76/411223376.db2.gz SEMPQZDHZBSNQN-NWDGAFQWSA-N 1 2 236.319 -0.031 20 0 BBADLO Cc1[nH]ncc1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656273105 411223374 /nfs/dbraw/zinc/22/33/74/411223374.db2.gz SEMPQZDHZBSNQN-NWDGAFQWSA-N 1 2 236.319 -0.031 20 0 BBADLO C[N@@H+](CCO)Cc1cn([C@@H]2CCC[C@H]2O)nn1 ZINC000656432998 411250112 /nfs/dbraw/zinc/25/01/12/411250112.db2.gz FVISTGKXBVRTLT-GHMZBOCLSA-N 1 2 240.307 -0.212 20 0 BBADLO C[N@H+](CCO)Cc1cn([C@@H]2CCC[C@H]2O)nn1 ZINC000656432998 411250109 /nfs/dbraw/zinc/25/01/09/411250109.db2.gz FVISTGKXBVRTLT-GHMZBOCLSA-N 1 2 240.307 -0.212 20 0 BBADLO C[N@@H+](CCO)Cc1cn([C@@H]2CCC[C@@H]2O)nn1 ZINC000656432999 411249361 /nfs/dbraw/zinc/24/93/61/411249361.db2.gz FVISTGKXBVRTLT-MNOVXSKESA-N 1 2 240.307 -0.212 20 0 BBADLO C[N@H+](CCO)Cc1cn([C@@H]2CCC[C@@H]2O)nn1 ZINC000656432999 411249357 /nfs/dbraw/zinc/24/93/57/411249357.db2.gz FVISTGKXBVRTLT-MNOVXSKESA-N 1 2 240.307 -0.212 20 0 BBADLO C[N@@H+](CCO)Cc1cn([C@H]2CCC[C@@H]2O)nn1 ZINC000656433000 411249686 /nfs/dbraw/zinc/24/96/86/411249686.db2.gz FVISTGKXBVRTLT-QWRGUYRKSA-N 1 2 240.307 -0.212 20 0 BBADLO C[N@H+](CCO)Cc1cn([C@H]2CCC[C@@H]2O)nn1 ZINC000656433000 411249684 /nfs/dbraw/zinc/24/96/84/411249684.db2.gz FVISTGKXBVRTLT-QWRGUYRKSA-N 1 2 240.307 -0.212 20 0 BBADLO C[N@@H+](CCO)Cc1cn([C@H]2CCC[C@H]2O)nn1 ZINC000656433001 411250058 /nfs/dbraw/zinc/25/00/58/411250058.db2.gz FVISTGKXBVRTLT-WDEREUQCSA-N 1 2 240.307 -0.212 20 0 BBADLO C[N@H+](CCO)Cc1cn([C@H]2CCC[C@H]2O)nn1 ZINC000656433001 411250056 /nfs/dbraw/zinc/25/00/56/411250056.db2.gz FVISTGKXBVRTLT-WDEREUQCSA-N 1 2 240.307 -0.212 20 0 BBADLO COCC[N@@H+](C)Cc1cn(CCCO)nn1 ZINC000656435623 411247797 /nfs/dbraw/zinc/24/77/97/411247797.db2.gz DOUVKHSYJUJVPK-UHFFFAOYSA-N 1 2 228.296 -0.261 20 0 BBADLO COCC[N@H+](C)Cc1cn(CCCO)nn1 ZINC000656435623 411247794 /nfs/dbraw/zinc/24/77/94/411247794.db2.gz DOUVKHSYJUJVPK-UHFFFAOYSA-N 1 2 228.296 -0.261 20 0 BBADLO OCCn1cc(C[NH+]2CCSCC2)nn1 ZINC000656435891 411247390 /nfs/dbraw/zinc/24/73/90/411247390.db2.gz NORHCSOPFLRIHW-UHFFFAOYSA-N 1 2 228.321 -0.181 20 0 BBADLO COCCn1cc(CC[NH+]2CCOCC2)nn1 ZINC000656443738 411252515 /nfs/dbraw/zinc/25/25/15/411252515.db2.gz AOAFDHDZEDJMLN-UHFFFAOYSA-N 1 2 240.307 -0.201 20 0 BBADLO C[N@@H+](CCO)Cc1cn(CCF)nn1 ZINC000656455018 411263293 /nfs/dbraw/zinc/26/32/93/411263293.db2.gz WCXATLSPQISMFV-UHFFFAOYSA-N 1 2 202.233 -0.328 20 0 BBADLO C[N@H+](CCO)Cc1cn(CCF)nn1 ZINC000656455018 411263291 /nfs/dbraw/zinc/26/32/91/411263291.db2.gz WCXATLSPQISMFV-UHFFFAOYSA-N 1 2 202.233 -0.328 20 0 BBADLO Cn1ccc(-n2cc(C[N@@H+](C)CCO)nn2)n1 ZINC000656455250 411264675 /nfs/dbraw/zinc/26/46/75/411264675.db2.gz AUCKNKCPJKQBFH-UHFFFAOYSA-N 1 2 236.279 -0.575 20 0 BBADLO Cn1ccc(-n2cc(C[N@H+](C)CCO)nn2)n1 ZINC000656455250 411264674 /nfs/dbraw/zinc/26/46/74/411264674.db2.gz AUCKNKCPJKQBFH-UHFFFAOYSA-N 1 2 236.279 -0.575 20 0 BBADLO Cn1ccc(-n2cc([C@H]3COCC[NH2+]3)nn2)n1 ZINC000656455907 411264393 /nfs/dbraw/zinc/26/43/93/411264393.db2.gz OTRLNAJHHKHKJS-SECBINFHSA-N 1 2 234.263 -0.338 20 0 BBADLO Cn1ccc(-n2cc([C@@H]3COCC[NH2+]3)nn2)n1 ZINC000656455908 411264661 /nfs/dbraw/zinc/26/46/61/411264661.db2.gz OTRLNAJHHKHKJS-VIFPVBQESA-N 1 2 234.263 -0.338 20 0 BBADLO Cn1nccc1-n1cc([C@H]2COCC[NH2+]2)nn1 ZINC000656456386 411265490 /nfs/dbraw/zinc/26/54/90/411265490.db2.gz AVZFSUIUQIDNFF-SECBINFHSA-N 1 2 234.263 -0.338 20 0 BBADLO Cn1nccc1-n1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000656456387 411265235 /nfs/dbraw/zinc/26/52/35/411265235.db2.gz AVZFSUIUQIDNFF-VIFPVBQESA-N 1 2 234.263 -0.338 20 0 BBADLO Cn1nccc1-n1cc(C[N@@H+](C)CCO)nn1 ZINC000656456950 411265440 /nfs/dbraw/zinc/26/54/40/411265440.db2.gz OIWZASLRKKMGQQ-UHFFFAOYSA-N 1 2 236.279 -0.575 20 0 BBADLO Cn1nccc1-n1cc(C[N@H+](C)CCO)nn1 ZINC000656456950 411265437 /nfs/dbraw/zinc/26/54/37/411265437.db2.gz OIWZASLRKKMGQQ-UHFFFAOYSA-N 1 2 236.279 -0.575 20 0 BBADLO Cn1cc(-n2cc(C[N@@H+](C)CCO)nn2)cn1 ZINC000656459157 411268758 /nfs/dbraw/zinc/26/87/58/411268758.db2.gz PSSTVOKHCIDEOZ-UHFFFAOYSA-N 1 2 236.279 -0.575 20 0 BBADLO Cn1cc(-n2cc(C[N@H+](C)CCO)nn2)cn1 ZINC000656459157 411268755 /nfs/dbraw/zinc/26/87/55/411268755.db2.gz PSSTVOKHCIDEOZ-UHFFFAOYSA-N 1 2 236.279 -0.575 20 0 BBADLO Cn1cc(-n2cc([C@@H]3COCC[NH2+]3)nn2)cn1 ZINC000656459392 411269393 /nfs/dbraw/zinc/26/93/93/411269393.db2.gz DQBDODAZCTYSJL-JTQLQIEISA-N 1 2 234.263 -0.338 20 0 BBADLO Cn1cc(-n2cc([C@H]3COCC[NH2+]3)nn2)cn1 ZINC000656459393 411269712 /nfs/dbraw/zinc/26/97/12/411269712.db2.gz DQBDODAZCTYSJL-SNVBAGLBSA-N 1 2 234.263 -0.338 20 0 BBADLO Cc1cc(-n2cc([C@@H]3COCC[NH2+]3)nn2)n(C)n1 ZINC000656465664 411278181 /nfs/dbraw/zinc/27/81/81/411278181.db2.gz FYFMCGGFDSMXGF-JTQLQIEISA-N 1 2 248.290 -0.030 20 0 BBADLO Cc1cc(-n2cc([C@H]3COCC[NH2+]3)nn2)n(C)n1 ZINC000656465665 411278553 /nfs/dbraw/zinc/27/85/53/411278553.db2.gz FYFMCGGFDSMXGF-SNVBAGLBSA-N 1 2 248.290 -0.030 20 0 BBADLO C[C@]1(C2CC2)C[N@H+]([C@@H]2CC(=O)NC2=O)CCO1 ZINC000656477316 411283115 /nfs/dbraw/zinc/28/31/15/411283115.db2.gz FTQIIPPLBQIVOW-BXKDBHETSA-N 1 2 238.287 -0.098 20 0 BBADLO C[C@]1(C2CC2)C[N@@H+]([C@@H]2CC(=O)NC2=O)CCO1 ZINC000656477316 411283112 /nfs/dbraw/zinc/28/31/12/411283112.db2.gz FTQIIPPLBQIVOW-BXKDBHETSA-N 1 2 238.287 -0.098 20 0 BBADLO C[C@@]1(C2CC2)C[N@H+]([C@H]2CC(=O)NC2=O)CCO1 ZINC000656477318 411282998 /nfs/dbraw/zinc/28/29/98/411282998.db2.gz FTQIIPPLBQIVOW-CABZTGNLSA-N 1 2 238.287 -0.098 20 0 BBADLO C[C@@]1(C2CC2)C[N@@H+]([C@H]2CC(=O)NC2=O)CCO1 ZINC000656477318 411282997 /nfs/dbraw/zinc/28/29/97/411282997.db2.gz FTQIIPPLBQIVOW-CABZTGNLSA-N 1 2 238.287 -0.098 20 0 BBADLO C[C@]1(C2CC2)C[N@H+]([C@H]2CC(=O)NC2=O)CCO1 ZINC000656477319 411282944 /nfs/dbraw/zinc/28/29/44/411282944.db2.gz FTQIIPPLBQIVOW-JOYOIKCWSA-N 1 2 238.287 -0.098 20 0 BBADLO C[C@]1(C2CC2)C[N@@H+]([C@H]2CC(=O)NC2=O)CCO1 ZINC000656477319 411282943 /nfs/dbraw/zinc/28/29/43/411282943.db2.gz FTQIIPPLBQIVOW-JOYOIKCWSA-N 1 2 238.287 -0.098 20 0 BBADLO C[C@@]1(C2CC2)C[N@H+]([C@@H]2CC(=O)NC2=O)CCO1 ZINC000656477320 411282509 /nfs/dbraw/zinc/28/25/09/411282509.db2.gz FTQIIPPLBQIVOW-SKDRFNHKSA-N 1 2 238.287 -0.098 20 0 BBADLO C[C@@]1(C2CC2)C[N@@H+]([C@@H]2CC(=O)NC2=O)CCO1 ZINC000656477320 411282506 /nfs/dbraw/zinc/28/25/06/411282506.db2.gz FTQIIPPLBQIVOW-SKDRFNHKSA-N 1 2 238.287 -0.098 20 0 BBADLO O=C(NC/C=C/CO)NCC[NH+]1CCOCC1 ZINC000656542158 411294771 /nfs/dbraw/zinc/29/47/71/411294771.db2.gz AUJJXYWKTMDKPQ-OWOJBTEDSA-N 1 2 243.307 -0.834 20 0 BBADLO O=C(NC/C=C\CO)NCC[NH+]1CCOCC1 ZINC000656542162 411294767 /nfs/dbraw/zinc/29/47/67/411294767.db2.gz AUJJXYWKTMDKPQ-UPHRSURJSA-N 1 2 243.307 -0.834 20 0 BBADLO O=C(NC/C=C/CO)NCCn1cc[nH+]c1 ZINC000656544270 411299556 /nfs/dbraw/zinc/29/95/56/411299556.db2.gz YMOPHGDRNWVPDM-OWOJBTEDSA-N 1 2 224.264 -0.269 20 0 BBADLO O=C(NC/C=C\CO)NCCn1cc[nH+]c1 ZINC000656544283 411299419 /nfs/dbraw/zinc/29/94/19/411299419.db2.gz YMOPHGDRNWVPDM-UPHRSURJSA-N 1 2 224.264 -0.269 20 0 BBADLO CC[C@@H](O)CNC(=O)NCC[NH+]1CCOCC1 ZINC000656548713 411295681 /nfs/dbraw/zinc/29/56/81/411295681.db2.gz OZWGPADABQAFBM-SNVBAGLBSA-N 1 2 245.323 -0.611 20 0 BBADLO NC(=O)[C@@H]([NH2+][C@H]1CCNC1=O)c1ccccc1 ZINC000656677536 411322362 /nfs/dbraw/zinc/32/23/62/411322362.db2.gz UMDNUVPERHMTBK-UWVGGRQHSA-N 1 2 233.271 -0.309 20 0 BBADLO NC(=O)[C@H]([NH2+][C@H]1CCNC1=O)c1ccccc1 ZINC000656677537 411322974 /nfs/dbraw/zinc/32/29/74/411322974.db2.gz UMDNUVPERHMTBK-VHSXEESVSA-N 1 2 233.271 -0.309 20 0 BBADLO CCc1ncn(C[C@@H](O)C[NH+]2CCOCC2)n1 ZINC000656701265 411325241 /nfs/dbraw/zinc/32/52/41/411325241.db2.gz KDIKHUVZFKJWDO-JTQLQIEISA-N 1 2 240.307 -0.466 20 0 BBADLO CCc1ncn(C[C@H](O)C[NH+]2CCOCC2)n1 ZINC000656701266 411326104 /nfs/dbraw/zinc/32/61/04/411326104.db2.gz KDIKHUVZFKJWDO-SNVBAGLBSA-N 1 2 240.307 -0.466 20 0 BBADLO COCCS(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000657028514 411394513 /nfs/dbraw/zinc/39/45/13/411394513.db2.gz RCSXXJIMMIESRL-UHFFFAOYSA-N 1 2 233.293 -0.182 20 0 BBADLO COCCS(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000657028514 411394510 /nfs/dbraw/zinc/39/45/10/411394510.db2.gz RCSXXJIMMIESRL-UHFFFAOYSA-N 1 2 233.293 -0.182 20 0 BBADLO CNS(=O)(=O)NCCc1c[nH+]ccc1C ZINC000657081853 411401510 /nfs/dbraw/zinc/40/15/10/411401510.db2.gz GTFZDEIWRVDSKI-UHFFFAOYSA-N 1 2 229.305 -0.014 20 0 BBADLO Cc1nn(CC[N@H+]2CCO[C@H](C)C2)c(=O)o1 ZINC000657278274 411448864 /nfs/dbraw/zinc/44/88/64/411448864.db2.gz CPHBJVKDSKPJRP-MRVPVSSYSA-N 1 2 227.264 -0.135 20 0 BBADLO Cc1nn(CC[N@@H+]2CCO[C@H](C)C2)c(=O)o1 ZINC000657278274 411448861 /nfs/dbraw/zinc/44/88/61/411448861.db2.gz CPHBJVKDSKPJRP-MRVPVSSYSA-N 1 2 227.264 -0.135 20 0 BBADLO Cc1nn(CC[N@H+]2CCO[C@@H](C)C2)c(=O)o1 ZINC000657278275 411449238 /nfs/dbraw/zinc/44/92/38/411449238.db2.gz CPHBJVKDSKPJRP-QMMMGPOBSA-N 1 2 227.264 -0.135 20 0 BBADLO Cc1nn(CC[N@@H+]2CCO[C@@H](C)C2)c(=O)o1 ZINC000657278275 411449235 /nfs/dbraw/zinc/44/92/35/411449235.db2.gz CPHBJVKDSKPJRP-QMMMGPOBSA-N 1 2 227.264 -0.135 20 0 BBADLO Cc1nn(CCC[NH+]2CCOCC2)c(=O)o1 ZINC000657278838 411439016 /nfs/dbraw/zinc/43/90/16/411439016.db2.gz KCFFLDQJFTWOIT-UHFFFAOYSA-N 1 2 227.264 -0.133 20 0 BBADLO CC(C)(C)n1nnc(C[NH2+]CCCO)n1 ZINC000657286450 411446168 /nfs/dbraw/zinc/44/61/68/411446168.db2.gz OPSYPVKOXSKEKE-UHFFFAOYSA-N 1 2 213.285 -0.100 20 0 BBADLO CC(C)(C)n1nnc(C[NH2+]CCOCCO)n1 ZINC000657293138 411454580 /nfs/dbraw/zinc/45/45/80/411454580.db2.gz UEZRXMDQEMPBFU-UHFFFAOYSA-N 1 2 243.311 -0.473 20 0 BBADLO C[C@H](CO)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657327890 411465820 /nfs/dbraw/zinc/46/58/20/411465820.db2.gz ZEZGXFSUPWXVFY-SSDOTTSWSA-N 1 2 213.285 -0.102 20 0 BBADLO CNC(=O)CC[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657330946 411467413 /nfs/dbraw/zinc/46/74/13/411467413.db2.gz IGSNPCMSEYLOPC-UHFFFAOYSA-N 1 2 240.311 -0.346 20 0 BBADLO C[C@@H](CO)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657379519 411487352 /nfs/dbraw/zinc/48/73/52/411487352.db2.gz ZEZGXFSUPWXVFY-ZETCQYMHSA-N 1 2 213.285 -0.102 20 0 BBADLO Cc1c[nH]c(C[NH2+]CC(=O)N2CCOCC2)n1 ZINC000657428529 411506746 /nfs/dbraw/zinc/50/67/46/411506746.db2.gz KJIGJQAHFAMDRL-UHFFFAOYSA-N 1 2 238.291 -0.333 20 0 BBADLO CNS(=O)(=O)CC[NH2+]Cc1nc(C)c[nH]1 ZINC000657442205 411511432 /nfs/dbraw/zinc/51/14/32/411511432.db2.gz PNDDIRPUQDHASR-UHFFFAOYSA-N 1 2 232.309 -0.643 20 0 BBADLO CC[C@@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)CO1 ZINC000657452777 411514974 /nfs/dbraw/zinc/51/49/74/411514974.db2.gz YZAUUKNKRBINLD-HTQZYQBOSA-N 1 2 211.269 -0.133 20 0 BBADLO CC[C@@H]1C[C@H]([NH2+]Cc2nnn(C)n2)CO1 ZINC000657452779 411514816 /nfs/dbraw/zinc/51/48/16/411514816.db2.gz YZAUUKNKRBINLD-JGVFFNPUSA-N 1 2 211.269 -0.133 20 0 BBADLO CC[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)CO1 ZINC000657452780 411514864 /nfs/dbraw/zinc/51/48/64/411514864.db2.gz YZAUUKNKRBINLD-SFYZADRCSA-N 1 2 211.269 -0.133 20 0 BBADLO CC[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)CO1 ZINC000657452781 411515052 /nfs/dbraw/zinc/51/50/52/411515052.db2.gz YZAUUKNKRBINLD-YUMQZZPRSA-N 1 2 211.269 -0.133 20 0 BBADLO CC(C)(C)n1nnc(C[NH2+]C[C@](C)(O)CO)n1 ZINC000657457677 411520830 /nfs/dbraw/zinc/52/08/30/411520830.db2.gz PVDVKVCXWNSHBM-JTQLQIEISA-N 1 2 243.311 -0.739 20 0 BBADLO CC(C)(C)n1nnc(C[NH2+]C[C@@](C)(O)CO)n1 ZINC000657457678 411521021 /nfs/dbraw/zinc/52/10/21/411521021.db2.gz PVDVKVCXWNSHBM-SNVBAGLBSA-N 1 2 243.311 -0.739 20 0 BBADLO Cc1c[nH]c(C[NH2+]CCS(=O)(=O)N(C)C)n1 ZINC000657470459 411522505 /nfs/dbraw/zinc/52/25/05/411522505.db2.gz PTQNTAVPJLHDSD-UHFFFAOYSA-N 1 2 246.336 -0.301 20 0 BBADLO O[C@@H]1COC[C@H]1[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657482852 411527592 /nfs/dbraw/zinc/52/75/92/411527592.db2.gz DBKSDMYPWKISIS-GHMZBOCLSA-N 1 2 238.291 -0.148 20 0 BBADLO C[C@@H](O)[C@@H](CO)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657492440 411534332 /nfs/dbraw/zinc/53/43/32/411534332.db2.gz WVCFHPBNYPBRDR-HTQZYQBOSA-N 1 2 243.311 -0.741 20 0 BBADLO COc1nccnc1C[NH2+][C@H]1CCNC1=O ZINC000657522043 411540612 /nfs/dbraw/zinc/54/06/12/411540612.db2.gz FDBUXLKVGFMTJO-ZETCQYMHSA-N 1 2 222.248 -0.537 20 0 BBADLO COc1ncncc1C[NH2+][C@H]1CCNC1=O ZINC000657522417 411540907 /nfs/dbraw/zinc/54/09/07/411540907.db2.gz HBICAWUMFHLGHZ-QMMMGPOBSA-N 1 2 222.248 -0.537 20 0 BBADLO Cn1nnc(C[NH2+][C@H](CO)C2CCC2)n1 ZINC000657559590 411550823 /nfs/dbraw/zinc/55/08/23/411550823.db2.gz OLBIMHOKLNSNBY-MRVPVSSYSA-N 1 2 211.269 -0.539 20 0 BBADLO Cn1nnc(C[NH2+][C@@H](CO)C2CCC2)n1 ZINC000657559591 411551104 /nfs/dbraw/zinc/55/11/04/411551104.db2.gz OLBIMHOKLNSNBY-QMMMGPOBSA-N 1 2 211.269 -0.539 20 0 BBADLO OCCO[C@@]1(C[NH2+]Cc2ccn[nH]2)CCOC1 ZINC000657597879 411560731 /nfs/dbraw/zinc/56/07/31/411560731.db2.gz SAJBQENYYMYHMW-LLVKDONJSA-N 1 2 241.291 -0.333 20 0 BBADLO OCCO[C@]1(C[NH2+]Cc2ccn[nH]2)CCOC1 ZINC000657597880 411560877 /nfs/dbraw/zinc/56/08/77/411560877.db2.gz SAJBQENYYMYHMW-NSHDSACASA-N 1 2 241.291 -0.333 20 0 BBADLO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc[nH]n1 ZINC000657600747 411558734 /nfs/dbraw/zinc/55/87/34/411558734.db2.gz DROCTJFWVWIGNB-BDAKNGLRSA-N 1 2 245.304 -0.689 20 0 BBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc[nH]n1 ZINC000657600748 411558522 /nfs/dbraw/zinc/55/85/22/411558522.db2.gz DROCTJFWVWIGNB-DTWKUNHWSA-N 1 2 245.304 -0.689 20 0 BBADLO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc[nH]n1 ZINC000657600749 411558750 /nfs/dbraw/zinc/55/87/50/411558750.db2.gz DROCTJFWVWIGNB-IUCAKERBSA-N 1 2 245.304 -0.689 20 0 BBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc[nH]n1 ZINC000657600750 411558629 /nfs/dbraw/zinc/55/86/29/411558629.db2.gz DROCTJFWVWIGNB-RKDXNWHRSA-N 1 2 245.304 -0.689 20 0 BBADLO COCc1nc(CN[C@H]2C[N@@H+](C)C[C@H]2C)n[nH]1 ZINC000657607941 411561642 /nfs/dbraw/zinc/56/16/42/411561642.db2.gz NOCWHEFTPPGTCK-BDAKNGLRSA-N 1 2 239.323 -0.009 20 0 BBADLO COCc1nc(CN[C@H]2C[N@H+](C)C[C@H]2C)n[nH]1 ZINC000657607941 411561641 /nfs/dbraw/zinc/56/16/41/411561641.db2.gz NOCWHEFTPPGTCK-BDAKNGLRSA-N 1 2 239.323 -0.009 20 0 BBADLO COCc1nc(CN[C@@H]2C[N@@H+](C)C[C@@H]2C)n[nH]1 ZINC000657607942 411561658 /nfs/dbraw/zinc/56/16/58/411561658.db2.gz NOCWHEFTPPGTCK-DTWKUNHWSA-N 1 2 239.323 -0.009 20 0 BBADLO COCc1nc(CN[C@@H]2C[N@H+](C)C[C@@H]2C)n[nH]1 ZINC000657607942 411561657 /nfs/dbraw/zinc/56/16/57/411561657.db2.gz NOCWHEFTPPGTCK-DTWKUNHWSA-N 1 2 239.323 -0.009 20 0 BBADLO COCc1nc(CN[C@H]2C[N@@H+](C)C[C@@H]2C)n[nH]1 ZINC000657607943 411562136 /nfs/dbraw/zinc/56/21/36/411562136.db2.gz NOCWHEFTPPGTCK-IUCAKERBSA-N 1 2 239.323 -0.009 20 0 BBADLO COCc1nc(CN[C@H]2C[N@H+](C)C[C@@H]2C)n[nH]1 ZINC000657607943 411562134 /nfs/dbraw/zinc/56/21/34/411562134.db2.gz NOCWHEFTPPGTCK-IUCAKERBSA-N 1 2 239.323 -0.009 20 0 BBADLO COCc1nc(CN[C@@H]2C[N@@H+](C)C[C@H]2C)n[nH]1 ZINC000657607944 411561673 /nfs/dbraw/zinc/56/16/73/411561673.db2.gz NOCWHEFTPPGTCK-RKDXNWHRSA-N 1 2 239.323 -0.009 20 0 BBADLO COCc1nc(CN[C@@H]2C[N@H+](C)C[C@H]2C)n[nH]1 ZINC000657607944 411561672 /nfs/dbraw/zinc/56/16/72/411561672.db2.gz NOCWHEFTPPGTCK-RKDXNWHRSA-N 1 2 239.323 -0.009 20 0 BBADLO Cn1nnc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)n1 ZINC000657705641 411583432 /nfs/dbraw/zinc/58/34/32/411583432.db2.gz ACRSAWRNMARISO-HTQZYQBOSA-N 1 2 223.280 -0.397 20 0 BBADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)n1 ZINC000657705642 411583359 /nfs/dbraw/zinc/58/33/59/411583359.db2.gz ACRSAWRNMARISO-JGVFFNPUSA-N 1 2 223.280 -0.397 20 0 BBADLO Cn1nnc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)n1 ZINC000657705643 411583243 /nfs/dbraw/zinc/58/32/43/411583243.db2.gz ACRSAWRNMARISO-SFYZADRCSA-N 1 2 223.280 -0.397 20 0 BBADLO Cn1nnc(C[NH2+][C@H]2C[C@H](O)C23CCC3)n1 ZINC000657705644 411583040 /nfs/dbraw/zinc/58/30/40/411583040.db2.gz ACRSAWRNMARISO-YUMQZZPRSA-N 1 2 223.280 -0.397 20 0 BBADLO C[C@H](Cn1cncn1)[NH2+]CC(F)(F)CO ZINC000657977849 411186747 /nfs/dbraw/zinc/18/67/47/411186747.db2.gz HDGVPQQTIKBXRO-SSDOTTSWSA-N 1 2 220.223 -0.116 20 0 BBADLO C[C@@H](Cn1cncn1)[NH2+]CC(F)(F)CO ZINC000657977850 411186654 /nfs/dbraw/zinc/18/66/54/411186654.db2.gz HDGVPQQTIKBXRO-ZETCQYMHSA-N 1 2 220.223 -0.116 20 0 BBADLO Nc1ccc(NC(=O)C2(n3cnnn3)CC2)c[nH+]1 ZINC000659294761 411390140 /nfs/dbraw/zinc/39/01/40/411390140.db2.gz NYDFFMMAKKHOQW-UHFFFAOYSA-N 1 2 245.246 -0.222 20 0 BBADLO O=C(CN1CC[NH2+]CC1=O)N[C@]12C[C@H]1CCC2 ZINC000659336698 411397334 /nfs/dbraw/zinc/39/73/34/411397334.db2.gz NNIYENIXCTXWOP-BXKDBHETSA-N 1 2 237.303 -0.523 20 0 BBADLO O=C(CN1CC[NH2+]CC1=O)N[C@@]12C[C@@H]1CCC2 ZINC000659336700 411397569 /nfs/dbraw/zinc/39/75/69/411397569.db2.gz NNIYENIXCTXWOP-CABZTGNLSA-N 1 2 237.303 -0.523 20 0 BBADLO CC[C@H](C)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000659339535 487940807 /nfs/dbraw/zinc/94/08/07/487940807.db2.gz AFSOZIMXKBNDSY-JTQLQIEISA-N 1 2 241.335 -0.029 20 0 BBADLO CC[C@@H](C)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000659339538 487940659 /nfs/dbraw/zinc/94/06/59/487940659.db2.gz AFSOZIMXKBNDSY-SNVBAGLBSA-N 1 2 241.335 -0.029 20 0 BBADLO CC(C)(F)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000659358835 411375518 /nfs/dbraw/zinc/37/55/18/411375518.db2.gz MWAXEJSFDWIGJT-UHFFFAOYSA-N 1 2 245.298 -0.327 20 0 BBADLO O=C(CN1CC[NH2+]CC1=O)NCC1=CCCC1 ZINC000659379237 411392581 /nfs/dbraw/zinc/39/25/81/411392581.db2.gz CHIABESGFHFWJA-UHFFFAOYSA-N 1 2 237.303 -0.355 20 0 BBADLO CC1(C)C[C@@]1(C)NC(=O)CN1CC[NH2+]CC1=O ZINC000659380215 411408189 /nfs/dbraw/zinc/40/81/89/411408189.db2.gz ZUSTTYXUTMSNRQ-GFCCVEGCSA-N 1 2 239.319 -0.277 20 0 BBADLO CC1(C)C[C@]1(C)NC(=O)CN1CC[NH2+]CC1=O ZINC000659380216 411407394 /nfs/dbraw/zinc/40/73/94/411407394.db2.gz ZUSTTYXUTMSNRQ-LBPRGKRZSA-N 1 2 239.319 -0.277 20 0 BBADLO C[N@@H+](CCc1cn[nH]n1)CC(=O)N1CCCC1 ZINC000659811904 411459802 /nfs/dbraw/zinc/45/98/02/411459802.db2.gz WREUOGUOEBTXEO-UHFFFAOYSA-N 1 2 237.307 -0.099 20 0 BBADLO C[N@H+](CCc1cn[nH]n1)CC(=O)N1CCCC1 ZINC000659811904 411459801 /nfs/dbraw/zinc/45/98/01/411459801.db2.gz WREUOGUOEBTXEO-UHFFFAOYSA-N 1 2 237.307 -0.099 20 0 BBADLO C[N@@H+](CCc1c[nH]nn1)CC(=O)N1CCCC1 ZINC000659811904 411459799 /nfs/dbraw/zinc/45/97/99/411459799.db2.gz WREUOGUOEBTXEO-UHFFFAOYSA-N 1 2 237.307 -0.099 20 0 BBADLO C[N@H+](CCc1c[nH]nn1)CC(=O)N1CCCC1 ZINC000659811904 411459798 /nfs/dbraw/zinc/45/97/98/411459798.db2.gz WREUOGUOEBTXEO-UHFFFAOYSA-N 1 2 237.307 -0.099 20 0 BBADLO CC(C)CNC(=O)CCC[N@H+]1CCNC(=O)C1 ZINC000659815701 411301791 /nfs/dbraw/zinc/30/17/91/411301791.db2.gz IXCFIKYRMWLYEW-UHFFFAOYSA-N 1 2 241.335 -0.029 20 0 BBADLO CC(C)CNC(=O)CCC[N@@H+]1CCNC(=O)C1 ZINC000659815701 411301788 /nfs/dbraw/zinc/30/17/88/411301788.db2.gz IXCFIKYRMWLYEW-UHFFFAOYSA-N 1 2 241.335 -0.029 20 0 BBADLO COC[C@@H](C[N@H+]1CCNC(=O)C1)OC ZINC000659816348 411463115 /nfs/dbraw/zinc/46/31/15/411463115.db2.gz QNUWFXUARQLEEF-MRVPVSSYSA-N 1 2 202.254 -0.920 20 0 BBADLO COC[C@@H](C[N@@H+]1CCNC(=O)C1)OC ZINC000659816348 411463112 /nfs/dbraw/zinc/46/31/12/411463112.db2.gz QNUWFXUARQLEEF-MRVPVSSYSA-N 1 2 202.254 -0.920 20 0 BBADLO COC[C@H](C[N@H+]1CCNC(=O)C1)OC ZINC000659816349 411462654 /nfs/dbraw/zinc/46/26/54/411462654.db2.gz QNUWFXUARQLEEF-QMMMGPOBSA-N 1 2 202.254 -0.920 20 0 BBADLO COC[C@H](C[N@@H+]1CCNC(=O)C1)OC ZINC000659816349 411462653 /nfs/dbraw/zinc/46/26/53/411462653.db2.gz QNUWFXUARQLEEF-QMMMGPOBSA-N 1 2 202.254 -0.920 20 0 BBADLO CO[C@H](C[N@H+]1CCNC(=O)C1)[C@@H]1CCOC1 ZINC000659816352 490256061 /nfs/dbraw/zinc/25/60/61/490256061.db2.gz QEFLUZNAMDINKH-NXEZZACHSA-N 1 2 228.292 -0.530 20 0 BBADLO CO[C@H](C[N@@H+]1CCNC(=O)C1)[C@@H]1CCOC1 ZINC000659816352 490256055 /nfs/dbraw/zinc/25/60/55/490256055.db2.gz QEFLUZNAMDINKH-NXEZZACHSA-N 1 2 228.292 -0.530 20 0 BBADLO CO[C@@H](C[N@H+]1CCNC(=O)C1)[C@H]1CCOC1 ZINC000659816361 490256090 /nfs/dbraw/zinc/25/60/90/490256090.db2.gz QEFLUZNAMDINKH-UWVGGRQHSA-N 1 2 228.292 -0.530 20 0 BBADLO CO[C@@H](C[N@@H+]1CCNC(=O)C1)[C@H]1CCOC1 ZINC000659816361 490256084 /nfs/dbraw/zinc/25/60/84/490256084.db2.gz QEFLUZNAMDINKH-UWVGGRQHSA-N 1 2 228.292 -0.530 20 0 BBADLO CO[C@H](C[N@H+]1CCNC(=O)C1)[C@H]1CCOC1 ZINC000659816364 490255955 /nfs/dbraw/zinc/25/59/55/490255955.db2.gz QEFLUZNAMDINKH-VHSXEESVSA-N 1 2 228.292 -0.530 20 0 BBADLO CO[C@H](C[N@@H+]1CCNC(=O)C1)[C@H]1CCOC1 ZINC000659816364 490255949 /nfs/dbraw/zinc/25/59/49/490255949.db2.gz QEFLUZNAMDINKH-VHSXEESVSA-N 1 2 228.292 -0.530 20 0 BBADLO CO[C@@H](C[N@H+]1CCNC(=O)C1)[C@@H]1CCOC1 ZINC000659816368 490256031 /nfs/dbraw/zinc/25/60/31/490256031.db2.gz QEFLUZNAMDINKH-ZJUUUORDSA-N 1 2 228.292 -0.530 20 0 BBADLO CO[C@@H](C[N@@H+]1CCNC(=O)C1)[C@@H]1CCOC1 ZINC000659816368 490256026 /nfs/dbraw/zinc/25/60/26/490256026.db2.gz QEFLUZNAMDINKH-ZJUUUORDSA-N 1 2 228.292 -0.530 20 0 BBADLO O=C(C1CC1)N1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000659816709 411463279 /nfs/dbraw/zinc/46/32/79/411463279.db2.gz CICXWKPPTBRDER-UHFFFAOYSA-N 1 2 249.318 -0.099 20 0 BBADLO O=C(C1CC1)N1CC[NH+](CCc2c[nH]nn2)CC1 ZINC000659816709 411463278 /nfs/dbraw/zinc/46/32/78/411463278.db2.gz CICXWKPPTBRDER-UHFFFAOYSA-N 1 2 249.318 -0.099 20 0 BBADLO CCN1OC[C@@H]([NH+]2CCC(C(N)=O)CC2)C1=O ZINC000659827755 411310272 /nfs/dbraw/zinc/31/02/72/411310272.db2.gz BMENZZCFULNMFY-SECBINFHSA-N 1 2 241.291 -0.654 20 0 BBADLO CCN1OC[C@H]([NH+]2CCC(C(N)=O)CC2)C1=O ZINC000659827760 411310490 /nfs/dbraw/zinc/31/04/90/411310490.db2.gz BMENZZCFULNMFY-VIFPVBQESA-N 1 2 241.291 -0.654 20 0 BBADLO O=C(C[N@@H+]1CCC[C@@H](O)C1)Nc1cnccn1 ZINC000659828898 411311647 /nfs/dbraw/zinc/31/16/47/411311647.db2.gz JKUMLFFINIVIEA-SECBINFHSA-N 1 2 236.275 -0.128 20 0 BBADLO O=C(C[N@H+]1CCC[C@@H](O)C1)Nc1cnccn1 ZINC000659828898 411311644 /nfs/dbraw/zinc/31/16/44/411311644.db2.gz JKUMLFFINIVIEA-SECBINFHSA-N 1 2 236.275 -0.128 20 0 BBADLO O=C(C[N@@H+]1CCC[C@H](O)C1)Nc1cnccn1 ZINC000659828899 411311611 /nfs/dbraw/zinc/31/16/11/411311611.db2.gz JKUMLFFINIVIEA-VIFPVBQESA-N 1 2 236.275 -0.128 20 0 BBADLO O=C(C[N@H+]1CCC[C@H](O)C1)Nc1cnccn1 ZINC000659828899 411311608 /nfs/dbraw/zinc/31/16/08/411311608.db2.gz JKUMLFFINIVIEA-VIFPVBQESA-N 1 2 236.275 -0.128 20 0 BBADLO CCN1CC[C@@H]([NH+]2CCN(CCO)CC2)C1=O ZINC000659829106 411311172 /nfs/dbraw/zinc/31/11/72/411311172.db2.gz LZRJKKRCSMLJQC-LLVKDONJSA-N 1 2 241.335 -0.783 20 0 BBADLO CCN1CC[C@H]([NH+]2CCN(CCO)CC2)C1=O ZINC000659829107 411311326 /nfs/dbraw/zinc/31/13/26/411311326.db2.gz LZRJKKRCSMLJQC-NSHDSACASA-N 1 2 241.335 -0.783 20 0 BBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1CCC[C@@H](O)C1 ZINC000659829277 411312890 /nfs/dbraw/zinc/31/28/90/411312890.db2.gz OIQDSLGBGWQXCM-KXUCPTDWSA-N 1 2 249.332 -0.745 20 0 BBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1CCC[C@@H](O)C1 ZINC000659829277 411312888 /nfs/dbraw/zinc/31/28/88/411312888.db2.gz OIQDSLGBGWQXCM-KXUCPTDWSA-N 1 2 249.332 -0.745 20 0 BBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1CCC[C@H](O)C1 ZINC000659829278 411312661 /nfs/dbraw/zinc/31/26/61/411312661.db2.gz OIQDSLGBGWQXCM-LPEHRKFASA-N 1 2 249.332 -0.745 20 0 BBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1CCC[C@H](O)C1 ZINC000659829278 411312656 /nfs/dbraw/zinc/31/26/56/411312656.db2.gz OIQDSLGBGWQXCM-LPEHRKFASA-N 1 2 249.332 -0.745 20 0 BBADLO CCN1CC[C@@H]([NH+]2CCN(C(C)=O)CC2)C1=O ZINC000659829847 411313496 /nfs/dbraw/zinc/31/34/96/411313496.db2.gz VWGBSWXVOMXIPZ-LLVKDONJSA-N 1 2 239.319 -0.229 20 0 BBADLO CCN1CC[C@H]([NH+]2CCN(C(C)=O)CC2)C1=O ZINC000659829853 411313340 /nfs/dbraw/zinc/31/33/40/411313340.db2.gz VWGBSWXVOMXIPZ-NSHDSACASA-N 1 2 239.319 -0.229 20 0 BBADLO CCN1CC[C@@H]([N@@H+](C)CC(=O)N(C)C)C1=O ZINC000659830362 411466818 /nfs/dbraw/zinc/46/68/18/411466818.db2.gz DUTPAFUXRGVBIR-SECBINFHSA-N 1 2 227.308 -0.373 20 0 BBADLO CCN1CC[C@@H]([N@H+](C)CC(=O)N(C)C)C1=O ZINC000659830362 411466815 /nfs/dbraw/zinc/46/68/15/411466815.db2.gz DUTPAFUXRGVBIR-SECBINFHSA-N 1 2 227.308 -0.373 20 0 BBADLO CCN1CC[C@H]([N@@H+](C)CC(=O)N(C)C)C1=O ZINC000659830363 411466592 /nfs/dbraw/zinc/46/65/92/411466592.db2.gz DUTPAFUXRGVBIR-VIFPVBQESA-N 1 2 227.308 -0.373 20 0 BBADLO CCN1CC[C@H]([N@H+](C)CC(=O)N(C)C)C1=O ZINC000659830363 411466589 /nfs/dbraw/zinc/46/65/89/411466589.db2.gz DUTPAFUXRGVBIR-VIFPVBQESA-N 1 2 227.308 -0.373 20 0 BBADLO NC(=O)[C@H]1CCCC[N@H+]1CCc1c[nH]nn1 ZINC000659830496 487779015 /nfs/dbraw/zinc/77/90/15/487779015.db2.gz HYNXFQPCPQIUQO-SECBINFHSA-N 1 2 223.280 -0.313 20 0 BBADLO NC(=O)[C@H]1CCCC[N@@H+]1CCc1c[nH]nn1 ZINC000659830496 487779012 /nfs/dbraw/zinc/77/90/12/487779012.db2.gz HYNXFQPCPQIUQO-SECBINFHSA-N 1 2 223.280 -0.313 20 0 BBADLO NC(=O)[C@@H]1CCCC[N@H+]1CCc1c[nH]nn1 ZINC000659830504 487779153 /nfs/dbraw/zinc/77/91/53/487779153.db2.gz HYNXFQPCPQIUQO-VIFPVBQESA-N 1 2 223.280 -0.313 20 0 BBADLO NC(=O)[C@@H]1CCCC[N@@H+]1CCc1c[nH]nn1 ZINC000659830504 487779149 /nfs/dbraw/zinc/77/91/49/487779149.db2.gz HYNXFQPCPQIUQO-VIFPVBQESA-N 1 2 223.280 -0.313 20 0 BBADLO CCN1CC[C@H]([NH+]2CCN(C)CC2)C1=O ZINC000659831590 411468089 /nfs/dbraw/zinc/46/80/89/411468089.db2.gz IQSBDUNRULSFLF-JTQLQIEISA-N 1 2 211.309 -0.145 20 0 BBADLO CCN1CC[C@@H]([NH+]2CCN(C)CC2)C1=O ZINC000659831591 411467939 /nfs/dbraw/zinc/46/79/39/411467939.db2.gz IQSBDUNRULSFLF-SNVBAGLBSA-N 1 2 211.309 -0.145 20 0 BBADLO CCN1CC[C@H]([N@@H+](C)CC(=O)NC2CC2)C1=O ZINC000659831719 411313905 /nfs/dbraw/zinc/31/39/05/411313905.db2.gz UGQKJNFIJSHBLW-JTQLQIEISA-N 1 2 239.319 -0.182 20 0 BBADLO CCN1CC[C@H]([N@H+](C)CC(=O)NC2CC2)C1=O ZINC000659831719 411313902 /nfs/dbraw/zinc/31/39/02/411313902.db2.gz UGQKJNFIJSHBLW-JTQLQIEISA-N 1 2 239.319 -0.182 20 0 BBADLO CCN1CC[C@@H]([N@@H+](C)CC(=O)NC2CC2)C1=O ZINC000659831720 411314095 /nfs/dbraw/zinc/31/40/95/411314095.db2.gz UGQKJNFIJSHBLW-SNVBAGLBSA-N 1 2 239.319 -0.182 20 0 BBADLO CCN1CC[C@@H]([N@H+](C)CC(=O)NC2CC2)C1=O ZINC000659831720 411314093 /nfs/dbraw/zinc/31/40/93/411314093.db2.gz UGQKJNFIJSHBLW-SNVBAGLBSA-N 1 2 239.319 -0.182 20 0 BBADLO C[N@@H+](CCO)CC(=O)Nc1cnccn1 ZINC000659833191 411468300 /nfs/dbraw/zinc/46/83/00/411468300.db2.gz DHDMEFITRKMWMF-UHFFFAOYSA-N 1 2 210.237 -0.661 20 0 BBADLO C[N@H+](CCO)CC(=O)Nc1cnccn1 ZINC000659833191 411468297 /nfs/dbraw/zinc/46/82/97/411468297.db2.gz DHDMEFITRKMWMF-UHFFFAOYSA-N 1 2 210.237 -0.661 20 0 BBADLO COCC[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC000659836299 411469445 /nfs/dbraw/zinc/46/94/45/411469445.db2.gz YACZPOQWJWLBHH-UHFFFAOYSA-N 1 2 225.296 -0.431 20 0 BBADLO COCC[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000659836299 411469442 /nfs/dbraw/zinc/46/94/42/411469442.db2.gz YACZPOQWJWLBHH-UHFFFAOYSA-N 1 2 225.296 -0.431 20 0 BBADLO CNC(=O)CN(C)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000659836943 411316205 /nfs/dbraw/zinc/31/62/05/411316205.db2.gz ABFNOGDUZCVDNI-GHMZBOCLSA-N 1 2 243.351 -0.227 20 0 BBADLO CNC(=O)CN(C)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000659836944 411316173 /nfs/dbraw/zinc/31/61/73/411316173.db2.gz ABFNOGDUZCVDNI-QWRGUYRKSA-N 1 2 243.351 -0.227 20 0 BBADLO C[N@@H+](CCc1nnn(C(C)(C)C)n1)CC(N)=O ZINC000659837956 411469522 /nfs/dbraw/zinc/46/95/22/411469522.db2.gz DFNPKRYOMOZDQS-UHFFFAOYSA-N 1 2 240.311 -0.612 20 0 BBADLO C[N@H+](CCc1nnn(C(C)(C)C)n1)CC(N)=O ZINC000659837956 411469519 /nfs/dbraw/zinc/46/95/19/411469519.db2.gz DFNPKRYOMOZDQS-UHFFFAOYSA-N 1 2 240.311 -0.612 20 0 BBADLO C[N@@H+](CC(N)=O)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000659838555 411470914 /nfs/dbraw/zinc/47/09/14/411470914.db2.gz KDZXXGCPGNJPRA-IVZWLZJFSA-N 1 2 239.319 -0.149 20 0 BBADLO C[N@H+](CC(N)=O)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000659838555 411470911 /nfs/dbraw/zinc/47/09/11/411470911.db2.gz KDZXXGCPGNJPRA-IVZWLZJFSA-N 1 2 239.319 -0.149 20 0 BBADLO C[N@@H+](CC(N)=O)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000659838556 411471021 /nfs/dbraw/zinc/47/10/21/411471021.db2.gz KDZXXGCPGNJPRA-KXUCPTDWSA-N 1 2 239.319 -0.149 20 0 BBADLO C[N@H+](CC(N)=O)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000659838556 411471019 /nfs/dbraw/zinc/47/10/19/411471019.db2.gz KDZXXGCPGNJPRA-KXUCPTDWSA-N 1 2 239.319 -0.149 20 0 BBADLO C[N@@H+](CC(N)=O)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000659838557 411470760 /nfs/dbraw/zinc/47/07/60/411470760.db2.gz KDZXXGCPGNJPRA-LPEHRKFASA-N 1 2 239.319 -0.149 20 0 BBADLO C[N@H+](CC(N)=O)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000659838557 411470757 /nfs/dbraw/zinc/47/07/57/411470757.db2.gz KDZXXGCPGNJPRA-LPEHRKFASA-N 1 2 239.319 -0.149 20 0 BBADLO C[N@@H+](CC(N)=O)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000659838561 411471028 /nfs/dbraw/zinc/47/10/28/411471028.db2.gz KDZXXGCPGNJPRA-OPRDCNLKSA-N 1 2 239.319 -0.149 20 0 BBADLO C[N@H+](CC(N)=O)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000659838561 411471026 /nfs/dbraw/zinc/47/10/26/411471026.db2.gz KDZXXGCPGNJPRA-OPRDCNLKSA-N 1 2 239.319 -0.149 20 0 BBADLO CCN1CC[C@@H]([N@@H+](C)CC(=O)NC)C1=O ZINC000659839671 411471660 /nfs/dbraw/zinc/47/16/60/411471660.db2.gz ZTCFAAGMFIEJPR-MRVPVSSYSA-N 1 2 213.281 -0.715 20 0 BBADLO CCN1CC[C@@H]([N@H+](C)CC(=O)NC)C1=O ZINC000659839671 411471658 /nfs/dbraw/zinc/47/16/58/411471658.db2.gz ZTCFAAGMFIEJPR-MRVPVSSYSA-N 1 2 213.281 -0.715 20 0 BBADLO CCN1CC[C@H]([N@@H+](C)CC(=O)NC)C1=O ZINC000659839672 411472265 /nfs/dbraw/zinc/47/22/65/411472265.db2.gz ZTCFAAGMFIEJPR-QMMMGPOBSA-N 1 2 213.281 -0.715 20 0 BBADLO CCN1CC[C@H]([N@H+](C)CC(=O)NC)C1=O ZINC000659839672 411472263 /nfs/dbraw/zinc/47/22/63/411472263.db2.gz ZTCFAAGMFIEJPR-QMMMGPOBSA-N 1 2 213.281 -0.715 20 0 BBADLO CC[N@@H+](CCc1c[nH]nn1)CC(=O)N(C)C ZINC000659839858 411472250 /nfs/dbraw/zinc/47/22/50/411472250.db2.gz ZBJLALYOIMHFBY-UHFFFAOYSA-N 1 2 225.296 -0.243 20 0 BBADLO CC[N@H+](CCc1c[nH]nn1)CC(=O)N(C)C ZINC000659839858 411472249 /nfs/dbraw/zinc/47/22/49/411472249.db2.gz ZBJLALYOIMHFBY-UHFFFAOYSA-N 1 2 225.296 -0.243 20 0 BBADLO O=C(C[N@H+](CCO)C1CC1)Nc1cnccn1 ZINC000659840296 411327708 /nfs/dbraw/zinc/32/77/08/411327708.db2.gz ARCQWENTABHWNB-UHFFFAOYSA-N 1 2 236.275 -0.128 20 0 BBADLO O=C(C[N@@H+](CCO)C1CC1)Nc1cnccn1 ZINC000659840296 411327706 /nfs/dbraw/zinc/32/77/06/411327706.db2.gz ARCQWENTABHWNB-UHFFFAOYSA-N 1 2 236.275 -0.128 20 0 BBADLO CCNC(=O)C[N@@H+](C)[C@@H]1CCN(CC)C1=O ZINC000659846461 411474785 /nfs/dbraw/zinc/47/47/85/411474785.db2.gz HOXXZWAWXVSFKJ-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CCNC(=O)C[N@H+](C)[C@@H]1CCN(CC)C1=O ZINC000659846461 411474782 /nfs/dbraw/zinc/47/47/82/411474782.db2.gz HOXXZWAWXVSFKJ-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CCNC(=O)C[N@@H+](C)[C@H]1CCN(CC)C1=O ZINC000659846462 411474823 /nfs/dbraw/zinc/47/48/23/411474823.db2.gz HOXXZWAWXVSFKJ-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO CCNC(=O)C[N@H+](C)[C@H]1CCN(CC)C1=O ZINC000659846462 411474821 /nfs/dbraw/zinc/47/48/21/411474821.db2.gz HOXXZWAWXVSFKJ-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO CCNC(=O)CN(C)Cc1cn(C)c[nH+]1 ZINC000659847451 487852830 /nfs/dbraw/zinc/85/28/30/487852830.db2.gz NSYCLWBSQOVRDY-UHFFFAOYSA-N 1 2 210.281 -0.012 20 0 BBADLO CCNC(=O)C[N@@H+](C)CCc1cn[nH]n1 ZINC000659848086 411340991 /nfs/dbraw/zinc/34/09/91/411340991.db2.gz XCHMHWQTQJOWEQ-UHFFFAOYSA-N 1 2 211.269 -0.585 20 0 BBADLO CCNC(=O)C[N@H+](C)CCc1cn[nH]n1 ZINC000659848086 411340987 /nfs/dbraw/zinc/34/09/87/411340987.db2.gz XCHMHWQTQJOWEQ-UHFFFAOYSA-N 1 2 211.269 -0.585 20 0 BBADLO CCNC(=O)C[N@@H+](C)CCc1c[nH]nn1 ZINC000659848086 411340982 /nfs/dbraw/zinc/34/09/82/411340982.db2.gz XCHMHWQTQJOWEQ-UHFFFAOYSA-N 1 2 211.269 -0.585 20 0 BBADLO CCNC(=O)C[N@H+](C)CCc1c[nH]nn1 ZINC000659848086 411340978 /nfs/dbraw/zinc/34/09/78/411340978.db2.gz XCHMHWQTQJOWEQ-UHFFFAOYSA-N 1 2 211.269 -0.585 20 0 BBADLO COCC[N@@H+](C)[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000659849074 411476443 /nfs/dbraw/zinc/47/64/43/411476443.db2.gz KWZJYUJPWVUJBP-BDAKNGLRSA-N 1 2 237.321 -0.623 20 0 BBADLO COCC[N@H+](C)[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000659849074 411476442 /nfs/dbraw/zinc/47/64/42/411476442.db2.gz KWZJYUJPWVUJBP-BDAKNGLRSA-N 1 2 237.321 -0.623 20 0 BBADLO COCC[N@@H+](C)CC(=O)Nc1cnccn1 ZINC000659849162 411340445 /nfs/dbraw/zinc/34/04/45/411340445.db2.gz MFMGMDWZSVDJIM-UHFFFAOYSA-N 1 2 224.264 -0.007 20 0 BBADLO COCC[N@H+](C)CC(=O)Nc1cnccn1 ZINC000659849162 411340442 /nfs/dbraw/zinc/34/04/42/411340442.db2.gz MFMGMDWZSVDJIM-UHFFFAOYSA-N 1 2 224.264 -0.007 20 0 BBADLO O=C(C[N@@H+]1CCC[C@@H]1CO)Nc1cnccn1 ZINC000659856337 411480114 /nfs/dbraw/zinc/48/01/14/411480114.db2.gz CPUZUDPWGCGPFK-SECBINFHSA-N 1 2 236.275 -0.128 20 0 BBADLO O=C(C[N@H+]1CCC[C@@H]1CO)Nc1cnccn1 ZINC000659856337 411480113 /nfs/dbraw/zinc/48/01/13/411480113.db2.gz CPUZUDPWGCGPFK-SECBINFHSA-N 1 2 236.275 -0.128 20 0 BBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1CCCOCC1 ZINC000659859207 411350742 /nfs/dbraw/zinc/35/07/42/411350742.db2.gz HKHAJGJFQNKQJC-VHSXEESVSA-N 1 2 249.332 -0.479 20 0 BBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1CCCOCC1 ZINC000659859207 411350739 /nfs/dbraw/zinc/35/07/39/411350739.db2.gz HKHAJGJFQNKQJC-VHSXEESVSA-N 1 2 249.332 -0.479 20 0 BBADLO CCN1OC[C@@H]([N@H+]2CCCOCC2)C1=O ZINC000659860177 411350641 /nfs/dbraw/zinc/35/06/41/411350641.db2.gz WPEIJTBQINSTOB-SECBINFHSA-N 1 2 214.265 -0.129 20 0 BBADLO CCN1OC[C@@H]([N@@H+]2CCCOCC2)C1=O ZINC000659860177 411350639 /nfs/dbraw/zinc/35/06/39/411350639.db2.gz WPEIJTBQINSTOB-SECBINFHSA-N 1 2 214.265 -0.129 20 0 BBADLO CCN1OC[C@H]([N@H+]2CCCOCC2)C1=O ZINC000659860278 411351359 /nfs/dbraw/zinc/35/13/59/411351359.db2.gz WPEIJTBQINSTOB-VIFPVBQESA-N 1 2 214.265 -0.129 20 0 BBADLO CCN1OC[C@H]([N@@H+]2CCCOCC2)C1=O ZINC000659860278 411351355 /nfs/dbraw/zinc/35/13/55/411351355.db2.gz WPEIJTBQINSTOB-VIFPVBQESA-N 1 2 214.265 -0.129 20 0 BBADLO COC[C@H](C[N@H+]1CCNC(=O)[C@H]1C)OC ZINC000659872360 411356643 /nfs/dbraw/zinc/35/66/43/411356643.db2.gz DACHCNHDGCDGNG-BDAKNGLRSA-N 1 2 216.281 -0.532 20 0 BBADLO COC[C@H](C[N@@H+]1CCNC(=O)[C@H]1C)OC ZINC000659872360 411356640 /nfs/dbraw/zinc/35/66/40/411356640.db2.gz DACHCNHDGCDGNG-BDAKNGLRSA-N 1 2 216.281 -0.532 20 0 BBADLO COC[C@@H](C[N@H+]1CCNC(=O)[C@@H]1C)OC ZINC000659872362 411355814 /nfs/dbraw/zinc/35/58/14/411355814.db2.gz DACHCNHDGCDGNG-DTWKUNHWSA-N 1 2 216.281 -0.532 20 0 BBADLO COC[C@@H](C[N@@H+]1CCNC(=O)[C@@H]1C)OC ZINC000659872362 411355813 /nfs/dbraw/zinc/35/58/13/411355813.db2.gz DACHCNHDGCDGNG-DTWKUNHWSA-N 1 2 216.281 -0.532 20 0 BBADLO COC[C@H](C[N@H+]1CCNC(=O)[C@@H]1C)OC ZINC000659872363 411356609 /nfs/dbraw/zinc/35/66/09/411356609.db2.gz DACHCNHDGCDGNG-IUCAKERBSA-N 1 2 216.281 -0.532 20 0 BBADLO COC[C@H](C[N@@H+]1CCNC(=O)[C@@H]1C)OC ZINC000659872363 411356608 /nfs/dbraw/zinc/35/66/08/411356608.db2.gz DACHCNHDGCDGNG-IUCAKERBSA-N 1 2 216.281 -0.532 20 0 BBADLO COC[C@@H](C[N@H+]1CCNC(=O)[C@H]1C)OC ZINC000659872369 411356653 /nfs/dbraw/zinc/35/66/53/411356653.db2.gz DACHCNHDGCDGNG-RKDXNWHRSA-N 1 2 216.281 -0.532 20 0 BBADLO COC[C@@H](C[N@@H+]1CCNC(=O)[C@H]1C)OC ZINC000659872369 411356650 /nfs/dbraw/zinc/35/66/50/411356650.db2.gz DACHCNHDGCDGNG-RKDXNWHRSA-N 1 2 216.281 -0.532 20 0 BBADLO COCC[N@@H+](CCO)Cc1cn(C)cn1 ZINC000659874085 411358462 /nfs/dbraw/zinc/35/84/62/411358462.db2.gz OZCYTGYBWOQDIZ-UHFFFAOYSA-N 1 2 213.281 -0.139 20 0 BBADLO COCC[N@H+](CCO)Cc1cn(C)cn1 ZINC000659874085 411358457 /nfs/dbraw/zinc/35/84/57/411358457.db2.gz OZCYTGYBWOQDIZ-UHFFFAOYSA-N 1 2 213.281 -0.139 20 0 BBADLO C[C@@H](O)C[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000659875260 411359068 /nfs/dbraw/zinc/35/90/68/411359068.db2.gz LARRUUWRGFYCIB-SECBINFHSA-N 1 2 225.296 -0.697 20 0 BBADLO C[C@H](O)C[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000659875261 411359138 /nfs/dbraw/zinc/35/91/38/411359138.db2.gz LARRUUWRGFYCIB-VIFPVBQESA-N 1 2 225.296 -0.697 20 0 BBADLO CC[N@@H+](CCO)[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000659876866 411360553 /nfs/dbraw/zinc/36/05/53/411360553.db2.gz ATFCUWKVCONYGT-BDAKNGLRSA-N 1 2 237.321 -0.887 20 0 BBADLO CC[N@H+](CCO)[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000659876866 411360551 /nfs/dbraw/zinc/36/05/51/411360551.db2.gz ATFCUWKVCONYGT-BDAKNGLRSA-N 1 2 237.321 -0.887 20 0 BBADLO O=C(C[N@H+]1CCNC(=O)CC1)Nc1cnccn1 ZINC000659876924 411360582 /nfs/dbraw/zinc/36/05/82/411360582.db2.gz HCELIFYHWVLMSW-UHFFFAOYSA-N 1 2 249.274 -0.763 20 0 BBADLO O=C(C[N@@H+]1CCNC(=O)CC1)Nc1cnccn1 ZINC000659876924 411360581 /nfs/dbraw/zinc/36/05/81/411360581.db2.gz HCELIFYHWVLMSW-UHFFFAOYSA-N 1 2 249.274 -0.763 20 0 BBADLO O=C(C[N@@H+]1CC[C@H](O)C1)Nc1cnccn1 ZINC000659877033 411487097 /nfs/dbraw/zinc/48/70/97/411487097.db2.gz BNJQZGQUFDYSRD-QMMMGPOBSA-N 1 2 222.248 -0.518 20 0 BBADLO O=C(C[N@H+]1CC[C@H](O)C1)Nc1cnccn1 ZINC000659877033 411487094 /nfs/dbraw/zinc/48/70/94/411487094.db2.gz BNJQZGQUFDYSRD-QMMMGPOBSA-N 1 2 222.248 -0.518 20 0 BBADLO CCN1CC[C@@H]([N@H+]2CCNC(=O)CC2)C1=O ZINC000659877395 411486910 /nfs/dbraw/zinc/48/69/10/411486910.db2.gz JMNORGLOVUENLG-SECBINFHSA-N 1 2 225.292 -0.571 20 0 BBADLO CCN1CC[C@@H]([N@@H+]2CCNC(=O)CC2)C1=O ZINC000659877395 411486906 /nfs/dbraw/zinc/48/69/06/411486906.db2.gz JMNORGLOVUENLG-SECBINFHSA-N 1 2 225.292 -0.571 20 0 BBADLO CCN1CC[C@H]([N@H+]2CCNC(=O)CC2)C1=O ZINC000659877397 411487655 /nfs/dbraw/zinc/48/76/55/411487655.db2.gz JMNORGLOVUENLG-VIFPVBQESA-N 1 2 225.292 -0.571 20 0 BBADLO CCN1CC[C@H]([N@@H+]2CCNC(=O)CC2)C1=O ZINC000659877397 411487652 /nfs/dbraw/zinc/48/76/52/411487652.db2.gz JMNORGLOVUENLG-VIFPVBQESA-N 1 2 225.292 -0.571 20 0 BBADLO CC(C)(C)n1cc(C[NH+](CCO)CCO)nn1 ZINC000659878473 411488956 /nfs/dbraw/zinc/48/89/56/411488956.db2.gz MNYNNKKXJGAQEK-UHFFFAOYSA-N 1 2 242.323 -0.180 20 0 BBADLO COc1cc(C[NH+](CCO)CCO)on1 ZINC000659878494 411488525 /nfs/dbraw/zinc/48/85/25/411488525.db2.gz MVESGJHKVBMWDW-UHFFFAOYSA-N 1 2 216.237 -0.530 20 0 BBADLO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCc1cnn[nH]1 ZINC000659878675 411174416 /nfs/dbraw/zinc/17/44/16/411174416.db2.gz ODKHBAQRXOAEFK-BDAKNGLRSA-N 1 2 237.307 -0.067 20 0 BBADLO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCc1cnn[nH]1 ZINC000659878675 411174414 /nfs/dbraw/zinc/17/44/14/411174414.db2.gz ODKHBAQRXOAEFK-BDAKNGLRSA-N 1 2 237.307 -0.067 20 0 BBADLO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CCc1cnn[nH]1 ZINC000659878676 411174504 /nfs/dbraw/zinc/17/45/04/411174504.db2.gz ODKHBAQRXOAEFK-DTWKUNHWSA-N 1 2 237.307 -0.067 20 0 BBADLO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCc1cnn[nH]1 ZINC000659878676 411174502 /nfs/dbraw/zinc/17/45/02/411174502.db2.gz ODKHBAQRXOAEFK-DTWKUNHWSA-N 1 2 237.307 -0.067 20 0 BBADLO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CCc1cnn[nH]1 ZINC000659878677 411174212 /nfs/dbraw/zinc/17/42/12/411174212.db2.gz ODKHBAQRXOAEFK-IUCAKERBSA-N 1 2 237.307 -0.067 20 0 BBADLO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCc1cnn[nH]1 ZINC000659878677 411174210 /nfs/dbraw/zinc/17/42/10/411174210.db2.gz ODKHBAQRXOAEFK-IUCAKERBSA-N 1 2 237.307 -0.067 20 0 BBADLO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CCc1cnn[nH]1 ZINC000659878678 411174704 /nfs/dbraw/zinc/17/47/04/411174704.db2.gz ODKHBAQRXOAEFK-RKDXNWHRSA-N 1 2 237.307 -0.067 20 0 BBADLO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCc1cnn[nH]1 ZINC000659878678 411174702 /nfs/dbraw/zinc/17/47/02/411174702.db2.gz ODKHBAQRXOAEFK-RKDXNWHRSA-N 1 2 237.307 -0.067 20 0 BBADLO CCN1OC[C@@H]([N@H+]2CC[C@H](O)C2)C1=O ZINC000659878848 411488701 /nfs/dbraw/zinc/48/87/01/411488701.db2.gz OUKJQTFJPOUILW-JGVFFNPUSA-N 1 2 200.238 -0.785 20 0 BBADLO CCN1OC[C@@H]([N@@H+]2CC[C@H](O)C2)C1=O ZINC000659878848 411488699 /nfs/dbraw/zinc/48/86/99/411488699.db2.gz OUKJQTFJPOUILW-JGVFFNPUSA-N 1 2 200.238 -0.785 20 0 BBADLO CCN1OC[C@H]([N@H+]2CC[C@H](O)C2)C1=O ZINC000659878850 411488479 /nfs/dbraw/zinc/48/84/79/411488479.db2.gz OUKJQTFJPOUILW-YUMQZZPRSA-N 1 2 200.238 -0.785 20 0 BBADLO CCN1OC[C@H]([N@@H+]2CC[C@H](O)C2)C1=O ZINC000659878850 411488478 /nfs/dbraw/zinc/48/84/78/411488478.db2.gz OUKJQTFJPOUILW-YUMQZZPRSA-N 1 2 200.238 -0.785 20 0 BBADLO O=C(C[N@@H+]1CC[C@@H](O)C1)Nc1cnccn1 ZINC000659879472 411176959 /nfs/dbraw/zinc/17/69/59/411176959.db2.gz BNJQZGQUFDYSRD-MRVPVSSYSA-N 1 2 222.248 -0.518 20 0 BBADLO O=C(C[N@H+]1CC[C@@H](O)C1)Nc1cnccn1 ZINC000659879472 411176956 /nfs/dbraw/zinc/17/69/56/411176956.db2.gz BNJQZGQUFDYSRD-MRVPVSSYSA-N 1 2 222.248 -0.518 20 0 BBADLO O=C(C[N@@H+]1CCC[C@H]1CO)Nc1cnccn1 ZINC000659879554 411488788 /nfs/dbraw/zinc/48/87/88/411488788.db2.gz CPUZUDPWGCGPFK-VIFPVBQESA-N 1 2 236.275 -0.128 20 0 BBADLO O=C(C[N@H+]1CCC[C@H]1CO)Nc1cnccn1 ZINC000659879554 411488785 /nfs/dbraw/zinc/48/87/85/411488785.db2.gz CPUZUDPWGCGPFK-VIFPVBQESA-N 1 2 236.275 -0.128 20 0 BBADLO CCN1OC[C@@H]([N@H+]2CC[C@@H](O)C2)C1=O ZINC000659880509 411489598 /nfs/dbraw/zinc/48/95/98/411489598.db2.gz OUKJQTFJPOUILW-HTQZYQBOSA-N 1 2 200.238 -0.785 20 0 BBADLO CCN1OC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1=O ZINC000659880509 411489597 /nfs/dbraw/zinc/48/95/97/411489597.db2.gz OUKJQTFJPOUILW-HTQZYQBOSA-N 1 2 200.238 -0.785 20 0 BBADLO CCN1OC[C@H]([N@H+]2CC[C@@H](O)C2)C1=O ZINC000659880510 411490296 /nfs/dbraw/zinc/49/02/96/411490296.db2.gz OUKJQTFJPOUILW-SFYZADRCSA-N 1 2 200.238 -0.785 20 0 BBADLO CCN1OC[C@H]([N@@H+]2CC[C@@H](O)C2)C1=O ZINC000659880510 411490294 /nfs/dbraw/zinc/49/02/94/411490294.db2.gz OUKJQTFJPOUILW-SFYZADRCSA-N 1 2 200.238 -0.785 20 0 BBADLO CCOCC[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC000659886224 411198066 /nfs/dbraw/zinc/19/80/66/411198066.db2.gz BBNAKXNCYPTRCY-UHFFFAOYSA-N 1 2 239.323 -0.041 20 0 BBADLO CCOCC[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000659886224 411198062 /nfs/dbraw/zinc/19/80/62/411198062.db2.gz BBNAKXNCYPTRCY-UHFFFAOYSA-N 1 2 239.323 -0.041 20 0 BBADLO COCC[N@@H+](CCc1cn[nH]n1)[C@H](C)C(N)=O ZINC000659903332 411379189 /nfs/dbraw/zinc/37/91/89/411379189.db2.gz FZNCDFDWABGSID-MRVPVSSYSA-N 1 2 241.295 -0.831 20 0 BBADLO COCC[N@H+](CCc1cn[nH]n1)[C@H](C)C(N)=O ZINC000659903332 411379188 /nfs/dbraw/zinc/37/91/88/411379188.db2.gz FZNCDFDWABGSID-MRVPVSSYSA-N 1 2 241.295 -0.831 20 0 BBADLO COCC[N@@H+](CCc1c[nH]nn1)[C@H](C)C(N)=O ZINC000659903332 411379187 /nfs/dbraw/zinc/37/91/87/411379187.db2.gz FZNCDFDWABGSID-MRVPVSSYSA-N 1 2 241.295 -0.831 20 0 BBADLO COCC[N@H+](CCc1c[nH]nn1)[C@H](C)C(N)=O ZINC000659903332 411379184 /nfs/dbraw/zinc/37/91/84/411379184.db2.gz FZNCDFDWABGSID-MRVPVSSYSA-N 1 2 241.295 -0.831 20 0 BBADLO COCC[N@@H+](CCc1cn[nH]n1)[C@@H](C)C(N)=O ZINC000659903333 411379253 /nfs/dbraw/zinc/37/92/53/411379253.db2.gz FZNCDFDWABGSID-QMMMGPOBSA-N 1 2 241.295 -0.831 20 0 BBADLO COCC[N@H+](CCc1cn[nH]n1)[C@@H](C)C(N)=O ZINC000659903333 411379252 /nfs/dbraw/zinc/37/92/52/411379252.db2.gz FZNCDFDWABGSID-QMMMGPOBSA-N 1 2 241.295 -0.831 20 0 BBADLO COCC[N@@H+](CCc1c[nH]nn1)[C@@H](C)C(N)=O ZINC000659903333 411379250 /nfs/dbraw/zinc/37/92/50/411379250.db2.gz FZNCDFDWABGSID-QMMMGPOBSA-N 1 2 241.295 -0.831 20 0 BBADLO COCC[N@H+](CCc1c[nH]nn1)[C@@H](C)C(N)=O ZINC000659903333 411379249 /nfs/dbraw/zinc/37/92/49/411379249.db2.gz FZNCDFDWABGSID-QMMMGPOBSA-N 1 2 241.295 -0.831 20 0 BBADLO COCCN(Cc1cn(C)c[nH+]1)[C@H](C)C(N)=O ZINC000659905365 411494459 /nfs/dbraw/zinc/49/44/59/411494459.db2.gz WRHXRRBHVMQNAM-SECBINFHSA-N 1 2 240.307 -0.258 20 0 BBADLO COCCN(Cc1cn(C)c[nH+]1)[C@@H](C)C(N)=O ZINC000659905366 411493573 /nfs/dbraw/zinc/49/35/73/411493573.db2.gz WRHXRRBHVMQNAM-VIFPVBQESA-N 1 2 240.307 -0.258 20 0 BBADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)CCc1c[nH]nn1 ZINC000659919427 411497917 /nfs/dbraw/zinc/49/79/17/411497917.db2.gz HLCRTQZLRSMRGZ-MRVPVSSYSA-N 1 2 246.336 -0.288 20 0 BBADLO C[C@H](CS(C)(=O)=O)[N@H+](C)CCc1c[nH]nn1 ZINC000659919427 411497915 /nfs/dbraw/zinc/49/79/15/411497915.db2.gz HLCRTQZLRSMRGZ-MRVPVSSYSA-N 1 2 246.336 -0.288 20 0 BBADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)CCc1cn[nH]n1 ZINC000659919427 411497913 /nfs/dbraw/zinc/49/79/13/411497913.db2.gz HLCRTQZLRSMRGZ-MRVPVSSYSA-N 1 2 246.336 -0.288 20 0 BBADLO C[C@H](CS(C)(=O)=O)[N@H+](C)CCc1cn[nH]n1 ZINC000659919427 411497911 /nfs/dbraw/zinc/49/79/11/411497911.db2.gz HLCRTQZLRSMRGZ-MRVPVSSYSA-N 1 2 246.336 -0.288 20 0 BBADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)CCc1c[nH]nn1 ZINC000659919449 411497713 /nfs/dbraw/zinc/49/77/13/411497713.db2.gz HLCRTQZLRSMRGZ-QMMMGPOBSA-N 1 2 246.336 -0.288 20 0 BBADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)CCc1c[nH]nn1 ZINC000659919449 411497711 /nfs/dbraw/zinc/49/77/11/411497711.db2.gz HLCRTQZLRSMRGZ-QMMMGPOBSA-N 1 2 246.336 -0.288 20 0 BBADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)CCc1cn[nH]n1 ZINC000659919449 411497708 /nfs/dbraw/zinc/49/77/08/411497708.db2.gz HLCRTQZLRSMRGZ-QMMMGPOBSA-N 1 2 246.336 -0.288 20 0 BBADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)CCc1cn[nH]n1 ZINC000659919449 411497707 /nfs/dbraw/zinc/49/77/07/411497707.db2.gz HLCRTQZLRSMRGZ-QMMMGPOBSA-N 1 2 246.336 -0.288 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCc1c[nH]nn1 ZINC000659943097 411505372 /nfs/dbraw/zinc/50/53/72/411505372.db2.gz QYJSCGZQGSAJKV-SECBINFHSA-N 1 2 223.280 -0.442 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@H+]1CCc1c[nH]nn1 ZINC000659943097 411505370 /nfs/dbraw/zinc/50/53/70/411505370.db2.gz QYJSCGZQGSAJKV-SECBINFHSA-N 1 2 223.280 -0.442 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCc1cn[nH]n1 ZINC000659943097 411505369 /nfs/dbraw/zinc/50/53/69/411505369.db2.gz QYJSCGZQGSAJKV-SECBINFHSA-N 1 2 223.280 -0.442 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@H+]1CCc1cn[nH]n1 ZINC000659943097 411505367 /nfs/dbraw/zinc/50/53/67/411505367.db2.gz QYJSCGZQGSAJKV-SECBINFHSA-N 1 2 223.280 -0.442 20 0 BBADLO CC[C@H]1C(=O)NCC[N@@H+]1CCc1c[nH]nn1 ZINC000659943098 411505309 /nfs/dbraw/zinc/50/53/09/411505309.db2.gz QYJSCGZQGSAJKV-VIFPVBQESA-N 1 2 223.280 -0.442 20 0 BBADLO CC[C@H]1C(=O)NCC[N@H+]1CCc1c[nH]nn1 ZINC000659943098 411505308 /nfs/dbraw/zinc/50/53/08/411505308.db2.gz QYJSCGZQGSAJKV-VIFPVBQESA-N 1 2 223.280 -0.442 20 0 BBADLO CC[C@H]1C(=O)NCC[N@@H+]1CCc1cn[nH]n1 ZINC000659943098 411505307 /nfs/dbraw/zinc/50/53/07/411505307.db2.gz QYJSCGZQGSAJKV-VIFPVBQESA-N 1 2 223.280 -0.442 20 0 BBADLO CC[C@H]1C(=O)NCC[N@H+]1CCc1cn[nH]n1 ZINC000659943098 411505306 /nfs/dbraw/zinc/50/53/06/411505306.db2.gz QYJSCGZQGSAJKV-VIFPVBQESA-N 1 2 223.280 -0.442 20 0 BBADLO CN1CC[C@@H]([N@@H+](C)CCc2c[nH]nn2)C1=O ZINC000659943369 411505784 /nfs/dbraw/zinc/50/57/84/411505784.db2.gz BVNWVPQAUCHCBK-SECBINFHSA-N 1 2 223.280 -0.490 20 0 BBADLO CN1CC[C@@H]([N@H+](C)CCc2c[nH]nn2)C1=O ZINC000659943369 411505782 /nfs/dbraw/zinc/50/57/82/411505782.db2.gz BVNWVPQAUCHCBK-SECBINFHSA-N 1 2 223.280 -0.490 20 0 BBADLO CN1CC[C@H]([N@@H+](C)CCc2c[nH]nn2)C1=O ZINC000659943371 411506369 /nfs/dbraw/zinc/50/63/69/411506369.db2.gz BVNWVPQAUCHCBK-VIFPVBQESA-N 1 2 223.280 -0.490 20 0 BBADLO CN1CC[C@H]([N@H+](C)CCc2c[nH]nn2)C1=O ZINC000659943371 411506368 /nfs/dbraw/zinc/50/63/68/411506368.db2.gz BVNWVPQAUCHCBK-VIFPVBQESA-N 1 2 223.280 -0.490 20 0 BBADLO CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C)C2=O)C1=O ZINC000659944501 411506453 /nfs/dbraw/zinc/50/64/53/411506453.db2.gz LDLLYZSYGIKKAO-NXEZZACHSA-N 1 2 239.319 -0.230 20 0 BBADLO CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C)C2=O)C1=O ZINC000659944501 411506452 /nfs/dbraw/zinc/50/64/52/411506452.db2.gz LDLLYZSYGIKKAO-NXEZZACHSA-N 1 2 239.319 -0.230 20 0 BBADLO CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C)C2=O)C1=O ZINC000659944503 411505807 /nfs/dbraw/zinc/50/58/07/411505807.db2.gz LDLLYZSYGIKKAO-UWVGGRQHSA-N 1 2 239.319 -0.230 20 0 BBADLO CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C)C2=O)C1=O ZINC000659944503 411505806 /nfs/dbraw/zinc/50/58/06/411505806.db2.gz LDLLYZSYGIKKAO-UWVGGRQHSA-N 1 2 239.319 -0.230 20 0 BBADLO CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C)C2=O)C1=O ZINC000659944504 411505845 /nfs/dbraw/zinc/50/58/45/411505845.db2.gz LDLLYZSYGIKKAO-VHSXEESVSA-N 1 2 239.319 -0.230 20 0 BBADLO CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C)C2=O)C1=O ZINC000659944504 411505843 /nfs/dbraw/zinc/50/58/43/411505843.db2.gz LDLLYZSYGIKKAO-VHSXEESVSA-N 1 2 239.319 -0.230 20 0 BBADLO CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C)C2=O)C1=O ZINC000659944506 411505838 /nfs/dbraw/zinc/50/58/38/411505838.db2.gz LDLLYZSYGIKKAO-ZJUUUORDSA-N 1 2 239.319 -0.230 20 0 BBADLO CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C)C2=O)C1=O ZINC000659944506 411505836 /nfs/dbraw/zinc/50/58/36/411505836.db2.gz LDLLYZSYGIKKAO-ZJUUUORDSA-N 1 2 239.319 -0.230 20 0 BBADLO COC[C@@H](C[N@H+]1CCN(C)C(=O)C1)OC ZINC000659945972 411507383 /nfs/dbraw/zinc/50/73/83/411507383.db2.gz CVSLYKPZJVTHPF-SECBINFHSA-N 1 2 216.281 -0.578 20 0 BBADLO COC[C@@H](C[N@@H+]1CCN(C)C(=O)C1)OC ZINC000659945972 411507380 /nfs/dbraw/zinc/50/73/80/411507380.db2.gz CVSLYKPZJVTHPF-SECBINFHSA-N 1 2 216.281 -0.578 20 0 BBADLO COC[C@H](C[N@H+]1CCN(C)C(=O)C1)OC ZINC000659945973 411505659 /nfs/dbraw/zinc/50/56/59/411505659.db2.gz CVSLYKPZJVTHPF-VIFPVBQESA-N 1 2 216.281 -0.578 20 0 BBADLO COC[C@H](C[N@@H+]1CCN(C)C(=O)C1)OC ZINC000659945973 411505655 /nfs/dbraw/zinc/50/56/55/411505655.db2.gz CVSLYKPZJVTHPF-VIFPVBQESA-N 1 2 216.281 -0.578 20 0 BBADLO Cn1c[nH+]c(CN2CCN(C)C(=O)C2)c1 ZINC000659946591 411389558 /nfs/dbraw/zinc/38/95/58/411389558.db2.gz HBWJUOFDGSRBAQ-UHFFFAOYSA-N 1 2 208.265 -0.306 20 0 BBADLO CCN1CC[C@@H]([N@H+]2CCO[C@@H](COC)C2)C1=O ZINC000659951661 490114855 /nfs/dbraw/zinc/11/48/55/490114855.db2.gz HHJQWKNRCYEGDS-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO CCN1CC[C@@H]([N@@H+]2CCO[C@@H](COC)C2)C1=O ZINC000659951661 490114852 /nfs/dbraw/zinc/11/48/52/490114852.db2.gz HHJQWKNRCYEGDS-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO CCN1CC[C@H]([N@H+]2CCO[C@@H](COC)C2)C1=O ZINC000659951667 490115042 /nfs/dbraw/zinc/11/50/42/490115042.db2.gz HHJQWKNRCYEGDS-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO CCN1CC[C@H]([N@@H+]2CCO[C@@H](COC)C2)C1=O ZINC000659951667 490115039 /nfs/dbraw/zinc/11/50/39/490115039.db2.gz HHJQWKNRCYEGDS-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO CCN1CC[C@H]([N@H+]2CCO[C@H](COC)C2)C1=O ZINC000659951668 490114769 /nfs/dbraw/zinc/11/47/69/490114769.db2.gz HHJQWKNRCYEGDS-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO CCN1CC[C@H]([N@@H+]2CCO[C@H](COC)C2)C1=O ZINC000659951668 490114763 /nfs/dbraw/zinc/11/47/63/490114763.db2.gz HHJQWKNRCYEGDS-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO CCN1CC[C@@H]([N@H+]2CCO[C@H](COC)C2)C1=O ZINC000659951669 490114801 /nfs/dbraw/zinc/11/48/01/490114801.db2.gz HHJQWKNRCYEGDS-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO CCN1CC[C@@H]([N@@H+]2CCO[C@H](COC)C2)C1=O ZINC000659951669 490114796 /nfs/dbraw/zinc/11/47/96/490114796.db2.gz HHJQWKNRCYEGDS-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO CCN1OC[C@@H]([N@@H+](C)C[C@@H](C)O)C1=O ZINC000659952915 411510166 /nfs/dbraw/zinc/51/01/66/411510166.db2.gz KVXUJHUJPDOMSQ-HTQZYQBOSA-N 1 2 202.254 -0.539 20 0 BBADLO CCN1OC[C@@H]([N@H+](C)C[C@@H](C)O)C1=O ZINC000659952915 411510164 /nfs/dbraw/zinc/51/01/64/411510164.db2.gz KVXUJHUJPDOMSQ-HTQZYQBOSA-N 1 2 202.254 -0.539 20 0 BBADLO CCN1OC[C@@H]([N@@H+](C)C[C@H](C)O)C1=O ZINC000659952916 411509713 /nfs/dbraw/zinc/50/97/13/411509713.db2.gz KVXUJHUJPDOMSQ-JGVFFNPUSA-N 1 2 202.254 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-0.571 20 0 BBADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCc1c[nH]nn1 ZINC000660008906 411171636 /nfs/dbraw/zinc/17/16/36/411171636.db2.gz HUVNEBCLMBPBJS-PSASIEDQSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@H+]1CCc1cn[nH]n1 ZINC000660008907 411171910 /nfs/dbraw/zinc/17/19/10/411171910.db2.gz HUVNEBCLMBPBJS-SCZZXKLOSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CCc1cn[nH]n1 ZINC000660008907 411171907 /nfs/dbraw/zinc/17/19/07/411171907.db2.gz HUVNEBCLMBPBJS-SCZZXKLOSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@H+]1CCc1c[nH]nn1 ZINC000660008907 411171904 /nfs/dbraw/zinc/17/19/04/411171904.db2.gz HUVNEBCLMBPBJS-SCZZXKLOSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CCc1c[nH]nn1 ZINC000660008907 411171902 /nfs/dbraw/zinc/17/19/02/411171902.db2.gz HUVNEBCLMBPBJS-SCZZXKLOSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@H]1CO[C@@H](CO)C[N@H+]1CCc1cn[nH]n1 ZINC000660008908 411171665 /nfs/dbraw/zinc/17/16/65/411171665.db2.gz HUVNEBCLMBPBJS-WCBMZHEXSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CCc1cn[nH]n1 ZINC000660008908 411171663 /nfs/dbraw/zinc/17/16/63/411171663.db2.gz HUVNEBCLMBPBJS-WCBMZHEXSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@H]1CO[C@@H](CO)C[N@H+]1CCc1c[nH]nn1 ZINC000660008908 411171662 /nfs/dbraw/zinc/17/16/62/411171662.db2.gz HUVNEBCLMBPBJS-WCBMZHEXSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CCc1c[nH]nn1 ZINC000660008908 411171660 /nfs/dbraw/zinc/17/16/60/411171660.db2.gz HUVNEBCLMBPBJS-WCBMZHEXSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@H]1CO[C@H](CO)C[N@H+]1CCc1cn[nH]n1 ZINC000660008909 411171851 /nfs/dbraw/zinc/17/18/51/411171851.db2.gz HUVNEBCLMBPBJS-WPRPVWTQSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@H]1CO[C@H](CO)C[N@@H+]1CCc1cn[nH]n1 ZINC000660008909 411171849 /nfs/dbraw/zinc/17/18/49/411171849.db2.gz HUVNEBCLMBPBJS-WPRPVWTQSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@H]1CO[C@H](CO)C[N@H+]1CCc1c[nH]nn1 ZINC000660008909 411171846 /nfs/dbraw/zinc/17/18/46/411171846.db2.gz HUVNEBCLMBPBJS-WPRPVWTQSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@H]1CO[C@H](CO)C[N@@H+]1CCc1c[nH]nn1 ZINC000660008909 411171844 /nfs/dbraw/zinc/17/18/44/411171844.db2.gz HUVNEBCLMBPBJS-WPRPVWTQSA-N 1 2 226.280 -0.571 20 0 BBADLO COC[C@H](C)[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000660079042 411534072 /nfs/dbraw/zinc/53/40/72/411534072.db2.gz ZWRVRSXDJVDOLF-JTQLQIEISA-N 1 2 239.323 -0.043 20 0 BBADLO COC[C@@H](C)[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000660079043 411534314 /nfs/dbraw/zinc/53/43/14/411534314.db2.gz ZWRVRSXDJVDOLF-SNVBAGLBSA-N 1 2 239.323 -0.043 20 0 BBADLO CNC(=O)N1CCN(Cc2cn(C)c[nH+]2)CC1 ZINC000660092125 411536452 /nfs/dbraw/zinc/53/64/52/411536452.db2.gz NWYOALCEUZJKPD-UHFFFAOYSA-N 1 2 237.307 -0.123 20 0 BBADLO CNC(=O)N1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000660093370 411536125 /nfs/dbraw/zinc/53/61/25/411536125.db2.gz SOFRVZZSYJYAPB-UHFFFAOYSA-N 1 2 238.295 -0.696 20 0 BBADLO CNC(=O)N1CC[NH+](CCc2c[nH]nn2)CC1 ZINC000660093370 411536122 /nfs/dbraw/zinc/53/61/22/411536122.db2.gz SOFRVZZSYJYAPB-UHFFFAOYSA-N 1 2 238.295 -0.696 20 0 BBADLO C[C@@H](NS(=O)(=O)C1COC1)c1[nH+]ccn1C ZINC000660099129 411537511 /nfs/dbraw/zinc/53/75/11/411537511.db2.gz DYFKXRSGGCSHJG-SSDOTTSWSA-N 1 2 245.304 -0.201 20 0 BBADLO C[C@H](NS(=O)(=O)C1COC1)c1[nH+]ccn1C ZINC000660099131 411537464 /nfs/dbraw/zinc/53/74/64/411537464.db2.gz DYFKXRSGGCSHJG-ZETCQYMHSA-N 1 2 245.304 -0.201 20 0 BBADLO CNS(=O)(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660100597 411537048 /nfs/dbraw/zinc/53/70/48/411537048.db2.gz MRPXQYGNMVADOJ-LURJTMIESA-N 1 2 218.282 -0.465 20 0 BBADLO CNS(=O)(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660100600 411537407 /nfs/dbraw/zinc/53/74/07/411537407.db2.gz MRPXQYGNMVADOJ-ZCFIWIBFSA-N 1 2 218.282 -0.465 20 0 BBADLO C[C@@H](NS(=O)(=O)N(C)C)c1[nH+]ccn1C ZINC000660103455 411537519 /nfs/dbraw/zinc/53/75/19/411537519.db2.gz CQUMHGCYIDFTSI-SSDOTTSWSA-N 1 2 232.309 -0.123 20 0 BBADLO C[C@H](NS(=O)(=O)N(C)C)c1[nH+]ccn1C ZINC000660103456 411537430 /nfs/dbraw/zinc/53/74/30/411537430.db2.gz CQUMHGCYIDFTSI-ZETCQYMHSA-N 1 2 232.309 -0.123 20 0 BBADLO CCNS(=O)(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660103607 411537460 /nfs/dbraw/zinc/53/74/60/411537460.db2.gz DQABYRWEAJWELM-SSDOTTSWSA-N 1 2 232.309 -0.075 20 0 BBADLO CCNS(=O)(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660103608 411537180 /nfs/dbraw/zinc/53/71/80/411537180.db2.gz DQABYRWEAJWELM-ZETCQYMHSA-N 1 2 232.309 -0.075 20 0 BBADLO c1nc(CN2CC[NH+]([C@H]3CCOC3)CC2)n[nH]1 ZINC000660124533 411541644 /nfs/dbraw/zinc/54/16/44/411541644.db2.gz BJPODVGKUVDYGC-JTQLQIEISA-N 1 2 237.307 -0.289 20 0 BBADLO c1nnc(CN2CC[NH+]([C@H]3CCOC3)CC2)[nH]1 ZINC000660124533 411541642 /nfs/dbraw/zinc/54/16/42/411541642.db2.gz BJPODVGKUVDYGC-JTQLQIEISA-N 1 2 237.307 -0.289 20 0 BBADLO c1nc(CN2CC[NH+]([C@@H]3CCOC3)CC2)n[nH]1 ZINC000660124534 411541184 /nfs/dbraw/zinc/54/11/84/411541184.db2.gz BJPODVGKUVDYGC-SNVBAGLBSA-N 1 2 237.307 -0.289 20 0 BBADLO c1nnc(CN2CC[NH+]([C@@H]3CCOC3)CC2)[nH]1 ZINC000660124534 411541182 /nfs/dbraw/zinc/54/11/82/411541182.db2.gz BJPODVGKUVDYGC-SNVBAGLBSA-N 1 2 237.307 -0.289 20 0 BBADLO CCN1CC[C@H]([N@@H+](C)[C@@H]2CCNC2=O)C1=O ZINC000660133949 411542886 /nfs/dbraw/zinc/54/28/86/411542886.db2.gz LTSMXXMHWVUJAC-BDAKNGLRSA-N 1 2 225.292 -0.573 20 0 BBADLO CCN1CC[C@H]([N@H+](C)[C@@H]2CCNC2=O)C1=O ZINC000660133949 411542884 /nfs/dbraw/zinc/54/28/84/411542884.db2.gz LTSMXXMHWVUJAC-BDAKNGLRSA-N 1 2 225.292 -0.573 20 0 BBADLO CCN1CC[C@@H]([N@@H+](C)[C@H]2CCNC2=O)C1=O ZINC000660133950 411543095 /nfs/dbraw/zinc/54/30/95/411543095.db2.gz LTSMXXMHWVUJAC-DTWKUNHWSA-N 1 2 225.292 -0.573 20 0 BBADLO CCN1CC[C@@H]([N@H+](C)[C@H]2CCNC2=O)C1=O ZINC000660133950 411543093 /nfs/dbraw/zinc/54/30/93/411543093.db2.gz LTSMXXMHWVUJAC-DTWKUNHWSA-N 1 2 225.292 -0.573 20 0 BBADLO CCN1CC[C@H]([N@@H+](C)[C@H]2CCNC2=O)C1=O ZINC000660133951 411542895 /nfs/dbraw/zinc/54/28/95/411542895.db2.gz LTSMXXMHWVUJAC-IUCAKERBSA-N 1 2 225.292 -0.573 20 0 BBADLO CCN1CC[C@H]([N@H+](C)[C@H]2CCNC2=O)C1=O ZINC000660133951 411542894 /nfs/dbraw/zinc/54/28/94/411542894.db2.gz LTSMXXMHWVUJAC-IUCAKERBSA-N 1 2 225.292 -0.573 20 0 BBADLO CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCNC2=O)C1=O ZINC000660133952 411542903 /nfs/dbraw/zinc/54/29/03/411542903.db2.gz LTSMXXMHWVUJAC-RKDXNWHRSA-N 1 2 225.292 -0.573 20 0 BBADLO CCN1CC[C@@H]([N@H+](C)[C@@H]2CCNC2=O)C1=O ZINC000660133952 411542901 /nfs/dbraw/zinc/54/29/01/411542901.db2.gz LTSMXXMHWVUJAC-RKDXNWHRSA-N 1 2 225.292 -0.573 20 0 BBADLO CN(C)S(=O)(=O)CCN(C)Cc1[nH]cc[nH+]1 ZINC000660141726 411544812 /nfs/dbraw/zinc/54/48/12/411544812.db2.gz IIFYZCAPAUENMI-UHFFFAOYSA-N 1 2 246.336 -0.267 20 0 BBADLO COCCOC[C@@H](O)C[N@@H+](C)Cc1ncc[nH]1 ZINC000660142313 411544428 /nfs/dbraw/zinc/54/44/28/411544428.db2.gz UMFFAVNUAKBGNY-JTQLQIEISA-N 1 2 243.307 -0.135 20 0 BBADLO COCCOC[C@@H](O)C[N@H+](C)Cc1ncc[nH]1 ZINC000660142313 411544426 /nfs/dbraw/zinc/54/44/26/411544426.db2.gz UMFFAVNUAKBGNY-JTQLQIEISA-N 1 2 243.307 -0.135 20 0 BBADLO COCCOC[C@H](O)C[N@@H+](C)Cc1ncc[nH]1 ZINC000660142319 411544764 /nfs/dbraw/zinc/54/47/64/411544764.db2.gz UMFFAVNUAKBGNY-SNVBAGLBSA-N 1 2 243.307 -0.135 20 0 BBADLO COCCOC[C@H](O)C[N@H+](C)Cc1ncc[nH]1 ZINC000660142319 411544762 /nfs/dbraw/zinc/54/47/62/411544762.db2.gz UMFFAVNUAKBGNY-SNVBAGLBSA-N 1 2 243.307 -0.135 20 0 BBADLO CN(CCN1CCNC1=O)Cc1[nH]cc[nH+]1 ZINC000660142793 411257905 /nfs/dbraw/zinc/25/79/05/411257905.db2.gz KBSLVAVWBWEVEI-UHFFFAOYSA-N 1 2 223.280 -0.133 20 0 BBADLO CCOCCNC(=O)CN(C)Cc1[nH]cc[nH+]1 ZINC000660142927 411544885 /nfs/dbraw/zinc/54/48/85/411544885.db2.gz IGDAZYQFHQXXAN-UHFFFAOYSA-N 1 2 240.307 -0.006 20 0 BBADLO CN(Cc1nnn(C)n1)Cc1[nH]cc[nH+]1 ZINC000660142993 411257824 /nfs/dbraw/zinc/25/78/24/411257824.db2.gz NYEHKKNBUSFFBT-UHFFFAOYSA-N 1 2 207.241 -0.435 20 0 BBADLO C[N@@H+](CCCS(N)(=O)=O)Cc1ncc[nH]1 ZINC000660143884 411545092 /nfs/dbraw/zinc/54/50/92/411545092.db2.gz ZZGLHIXZWYKBBS-UHFFFAOYSA-N 1 2 232.309 -0.480 20 0 BBADLO C[N@H+](CCCS(N)(=O)=O)Cc1ncc[nH]1 ZINC000660143884 411545090 /nfs/dbraw/zinc/54/50/90/411545090.db2.gz ZZGLHIXZWYKBBS-UHFFFAOYSA-N 1 2 232.309 -0.480 20 0 BBADLO CN(CCCS(N)(=O)=O)Cc1[nH]cc[nH+]1 ZINC000660143884 411545089 /nfs/dbraw/zinc/54/50/89/411545089.db2.gz ZZGLHIXZWYKBBS-UHFFFAOYSA-N 1 2 232.309 -0.480 20 0 BBADLO CNS(=O)(=O)CCC[N@@H+](C)Cc1ncc[nH]1 ZINC000660144012 411258548 /nfs/dbraw/zinc/25/85/48/411258548.db2.gz LTYLZFTWXLCADI-UHFFFAOYSA-N 1 2 246.336 -0.219 20 0 BBADLO CNS(=O)(=O)CCC[N@H+](C)Cc1ncc[nH]1 ZINC000660144012 411258547 /nfs/dbraw/zinc/25/85/47/411258547.db2.gz LTYLZFTWXLCADI-UHFFFAOYSA-N 1 2 246.336 -0.219 20 0 BBADLO CNS(=O)(=O)CCCN(C)Cc1[nH]cc[nH+]1 ZINC000660144012 411258544 /nfs/dbraw/zinc/25/85/44/411258544.db2.gz LTYLZFTWXLCADI-UHFFFAOYSA-N 1 2 246.336 -0.219 20 0 BBADLO CN(CC(=O)N1CCNC1=O)Cc1[nH]cc[nH+]1 ZINC000660144303 411545103 /nfs/dbraw/zinc/54/51/03/411545103.db2.gz SDUJGKGDRLUFHJ-UHFFFAOYSA-N 1 2 237.263 -0.607 20 0 BBADLO C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)Nc1cnccn1 ZINC000660149660 487697987 /nfs/dbraw/zinc/69/79/87/487697987.db2.gz RTUSXHALLFTUAS-BDAKNGLRSA-N 1 2 236.275 -0.130 20 0 BBADLO C[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)Nc1cnccn1 ZINC000660149660 487697984 /nfs/dbraw/zinc/69/79/84/487697984.db2.gz RTUSXHALLFTUAS-BDAKNGLRSA-N 1 2 236.275 -0.130 20 0 BBADLO C[C@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1cnccn1 ZINC000660149675 487698439 /nfs/dbraw/zinc/69/84/39/487698439.db2.gz RTUSXHALLFTUAS-DTWKUNHWSA-N 1 2 236.275 -0.130 20 0 BBADLO C[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1cnccn1 ZINC000660149675 487698437 /nfs/dbraw/zinc/69/84/37/487698437.db2.gz RTUSXHALLFTUAS-DTWKUNHWSA-N 1 2 236.275 -0.130 20 0 BBADLO C[C@H]1C[C@H](O)C[N@H+]1CC(=O)Nc1cnccn1 ZINC000660149681 487698086 /nfs/dbraw/zinc/69/80/86/487698086.db2.gz RTUSXHALLFTUAS-IUCAKERBSA-N 1 2 236.275 -0.130 20 0 BBADLO C[C@H]1C[C@H](O)C[N@@H+]1CC(=O)Nc1cnccn1 ZINC000660149681 487698083 /nfs/dbraw/zinc/69/80/83/487698083.db2.gz RTUSXHALLFTUAS-IUCAKERBSA-N 1 2 236.275 -0.130 20 0 BBADLO C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1cnccn1 ZINC000660149682 487698509 /nfs/dbraw/zinc/69/85/09/487698509.db2.gz RTUSXHALLFTUAS-RKDXNWHRSA-N 1 2 236.275 -0.130 20 0 BBADLO C[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1cnccn1 ZINC000660149682 487698504 /nfs/dbraw/zinc/69/85/04/487698504.db2.gz RTUSXHALLFTUAS-RKDXNWHRSA-N 1 2 236.275 -0.130 20 0 BBADLO COc1cc(C[N@H+]2CC[C@@H](NC(N)=O)C2)on1 ZINC000660150631 411546874 /nfs/dbraw/zinc/54/68/74/411546874.db2.gz RRJVPAXWMQWDNR-SSDOTTSWSA-N 1 2 240.263 -0.074 20 0 BBADLO COc1cc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)on1 ZINC000660150631 411546873 /nfs/dbraw/zinc/54/68/73/411546873.db2.gz RRJVPAXWMQWDNR-SSDOTTSWSA-N 1 2 240.263 -0.074 20 0 BBADLO COc1cc(C[N@H+]2CC[C@H](NC(N)=O)C2)on1 ZINC000660150632 411547001 /nfs/dbraw/zinc/54/70/01/411547001.db2.gz RRJVPAXWMQWDNR-ZETCQYMHSA-N 1 2 240.263 -0.074 20 0 BBADLO COc1cc(C[N@@H+]2CC[C@H](NC(N)=O)C2)on1 ZINC000660150632 411546999 /nfs/dbraw/zinc/54/69/99/411546999.db2.gz RRJVPAXWMQWDNR-ZETCQYMHSA-N 1 2 240.263 -0.074 20 0 BBADLO Cn1c[nH+]c(CN2CCSC[C@@H]2C(N)=O)c1 ZINC000660155929 411548094 /nfs/dbraw/zinc/54/80/94/411548094.db2.gz NMGQYWNREMJVIH-SECBINFHSA-N 1 2 240.332 -0.177 20 0 BBADLO Cn1c[nH+]c(CN2CCSC[C@H]2C(N)=O)c1 ZINC000660156030 411268870 /nfs/dbraw/zinc/26/88/70/411268870.db2.gz NMGQYWNREMJVIH-VIFPVBQESA-N 1 2 240.332 -0.177 20 0 BBADLO NC(=O)[C@H]1CSCC[N@H+]1CCc1cn[nH]n1 ZINC000660156048 411269385 /nfs/dbraw/zinc/26/93/85/411269385.db2.gz NTOXBWJYXVSACL-MRVPVSSYSA-N 1 2 241.320 -0.750 20 0 BBADLO NC(=O)[C@H]1CSCC[N@@H+]1CCc1cn[nH]n1 ZINC000660156048 411269380 /nfs/dbraw/zinc/26/93/80/411269380.db2.gz NTOXBWJYXVSACL-MRVPVSSYSA-N 1 2 241.320 -0.750 20 0 BBADLO NC(=O)[C@@H]1CSCC[N@H+]1CCc1cn[nH]n1 ZINC000660156057 411269504 /nfs/dbraw/zinc/26/95/04/411269504.db2.gz NTOXBWJYXVSACL-QMMMGPOBSA-N 1 2 241.320 -0.750 20 0 BBADLO NC(=O)[C@@H]1CSCC[N@@H+]1CCc1cn[nH]n1 ZINC000660156057 411269502 /nfs/dbraw/zinc/26/95/02/411269502.db2.gz NTOXBWJYXVSACL-QMMMGPOBSA-N 1 2 241.320 -0.750 20 0 BBADLO CCC[C@H]1C(=O)NCC[N@@H+]1CCc1cn[nH]n1 ZINC000660157039 411268937 /nfs/dbraw/zinc/26/89/37/411268937.db2.gz STFDYFYOSJGXPC-JTQLQIEISA-N 1 2 237.307 -0.052 20 0 BBADLO CCC[C@H]1C(=O)NCC[N@H+]1CCc1cn[nH]n1 ZINC000660157039 411268936 /nfs/dbraw/zinc/26/89/36/411268936.db2.gz STFDYFYOSJGXPC-JTQLQIEISA-N 1 2 237.307 -0.052 20 0 BBADLO CCC[C@H]1C(=O)NCC[N@@H+]1CCc1c[nH]nn1 ZINC000660157039 411268932 /nfs/dbraw/zinc/26/89/32/411268932.db2.gz STFDYFYOSJGXPC-JTQLQIEISA-N 1 2 237.307 -0.052 20 0 BBADLO CCC[C@H]1C(=O)NCC[N@H+]1CCc1c[nH]nn1 ZINC000660157039 411268927 /nfs/dbraw/zinc/26/89/27/411268927.db2.gz STFDYFYOSJGXPC-JTQLQIEISA-N 1 2 237.307 -0.052 20 0 BBADLO CCC[C@@H]1C(=O)NCC[N@@H+]1CCc1cn[nH]n1 ZINC000660157045 411269175 /nfs/dbraw/zinc/26/91/75/411269175.db2.gz STFDYFYOSJGXPC-SNVBAGLBSA-N 1 2 237.307 -0.052 20 0 BBADLO CCC[C@@H]1C(=O)NCC[N@H+]1CCc1cn[nH]n1 ZINC000660157045 411269171 /nfs/dbraw/zinc/26/91/71/411269171.db2.gz STFDYFYOSJGXPC-SNVBAGLBSA-N 1 2 237.307 -0.052 20 0 BBADLO CCC[C@@H]1C(=O)NCC[N@@H+]1CCc1c[nH]nn1 ZINC000660157045 411269168 /nfs/dbraw/zinc/26/91/68/411269168.db2.gz STFDYFYOSJGXPC-SNVBAGLBSA-N 1 2 237.307 -0.052 20 0 BBADLO CCC[C@@H]1C(=O)NCC[N@H+]1CCc1c[nH]nn1 ZINC000660157045 411269162 /nfs/dbraw/zinc/26/91/62/411269162.db2.gz STFDYFYOSJGXPC-SNVBAGLBSA-N 1 2 237.307 -0.052 20 0 BBADLO O=C1CC[C@H]2C[N@@H+](CCc3cn[nH]n3)CCN12 ZINC000660157208 411547722 /nfs/dbraw/zinc/54/77/22/411547722.db2.gz ROYJZIWFAIMSKN-JTQLQIEISA-N 1 2 235.291 -0.346 20 0 BBADLO O=C1CC[C@H]2C[N@H+](CCc3cn[nH]n3)CCN12 ZINC000660157208 411547721 /nfs/dbraw/zinc/54/77/21/411547721.db2.gz ROYJZIWFAIMSKN-JTQLQIEISA-N 1 2 235.291 -0.346 20 0 BBADLO O=C1CC[C@H]2C[N@@H+](CCc3c[nH]nn3)CCN12 ZINC000660157208 411547719 /nfs/dbraw/zinc/54/77/19/411547719.db2.gz ROYJZIWFAIMSKN-JTQLQIEISA-N 1 2 235.291 -0.346 20 0 BBADLO O=C1CC[C@H]2C[N@H+](CCc3c[nH]nn3)CCN12 ZINC000660157208 411547718 /nfs/dbraw/zinc/54/77/18/411547718.db2.gz ROYJZIWFAIMSKN-JTQLQIEISA-N 1 2 235.291 -0.346 20 0 BBADLO O=C1CC[C@@H]2C[N@@H+](CCc3cn[nH]n3)CCN12 ZINC000660157209 411548383 /nfs/dbraw/zinc/54/83/83/411548383.db2.gz ROYJZIWFAIMSKN-SNVBAGLBSA-N 1 2 235.291 -0.346 20 0 BBADLO O=C1CC[C@@H]2C[N@H+](CCc3cn[nH]n3)CCN12 ZINC000660157209 411548382 /nfs/dbraw/zinc/54/83/82/411548382.db2.gz ROYJZIWFAIMSKN-SNVBAGLBSA-N 1 2 235.291 -0.346 20 0 BBADLO O=C1CC[C@@H]2C[N@@H+](CCc3c[nH]nn3)CCN12 ZINC000660157209 411548381 /nfs/dbraw/zinc/54/83/81/411548381.db2.gz ROYJZIWFAIMSKN-SNVBAGLBSA-N 1 2 235.291 -0.346 20 0 BBADLO O=C1CC[C@@H]2C[N@H+](CCc3c[nH]nn3)CCN12 ZINC000660157209 411548379 /nfs/dbraw/zinc/54/83/79/411548379.db2.gz ROYJZIWFAIMSKN-SNVBAGLBSA-N 1 2 235.291 -0.346 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)Nc2cnccn2)C[C@@H]1O ZINC000660160223 411548581 /nfs/dbraw/zinc/54/85/81/411548581.db2.gz PDOKRIKMVDYAHF-BDAKNGLRSA-N 1 2 236.275 -0.272 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)Nc2cnccn2)C[C@@H]1O ZINC000660160223 411548578 /nfs/dbraw/zinc/54/85/78/411548578.db2.gz PDOKRIKMVDYAHF-BDAKNGLRSA-N 1 2 236.275 -0.272 20 0 BBADLO C[C@H]1C[N@@H+](CC(=O)Nc2cnccn2)C[C@H]1O ZINC000660160224 411271388 /nfs/dbraw/zinc/27/13/88/411271388.db2.gz PDOKRIKMVDYAHF-DTWKUNHWSA-N 1 2 236.275 -0.272 20 0 BBADLO C[C@H]1C[N@H+](CC(=O)Nc2cnccn2)C[C@H]1O ZINC000660160224 411271382 /nfs/dbraw/zinc/27/13/82/411271382.db2.gz PDOKRIKMVDYAHF-DTWKUNHWSA-N 1 2 236.275 -0.272 20 0 BBADLO C[C@H]1C[N@@H+](CC(=O)Nc2cnccn2)C[C@@H]1O ZINC000660160225 411271441 /nfs/dbraw/zinc/27/14/41/411271441.db2.gz PDOKRIKMVDYAHF-IUCAKERBSA-N 1 2 236.275 -0.272 20 0 BBADLO C[C@H]1C[N@H+](CC(=O)Nc2cnccn2)C[C@@H]1O ZINC000660160225 411271435 /nfs/dbraw/zinc/27/14/35/411271435.db2.gz PDOKRIKMVDYAHF-IUCAKERBSA-N 1 2 236.275 -0.272 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)Nc2cnccn2)C[C@H]1O ZINC000660160226 411271616 /nfs/dbraw/zinc/27/16/16/411271616.db2.gz PDOKRIKMVDYAHF-RKDXNWHRSA-N 1 2 236.275 -0.272 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)Nc2cnccn2)C[C@H]1O ZINC000660160226 411271611 /nfs/dbraw/zinc/27/16/11/411271611.db2.gz PDOKRIKMVDYAHF-RKDXNWHRSA-N 1 2 236.275 -0.272 20 0 BBADLO COc1cc(C[NH2+]C2(C(N)=O)CC2)on1 ZINC000660226069 487826310 /nfs/dbraw/zinc/82/63/10/487826310.db2.gz UGZUCXCQSQRHEK-UHFFFAOYSA-N 1 2 211.221 -0.209 20 0 BBADLO CC[N@@H+](CCc1cn[nH]n1)Cc1cn(C)nn1 ZINC000660238412 411557911 /nfs/dbraw/zinc/55/79/11/411557911.db2.gz KVUATTBDCJKRAC-UHFFFAOYSA-N 1 2 235.295 -0.002 20 0 BBADLO CC[N@H+](CCc1cn[nH]n1)Cc1cn(C)nn1 ZINC000660238412 411557910 /nfs/dbraw/zinc/55/79/10/411557910.db2.gz KVUATTBDCJKRAC-UHFFFAOYSA-N 1 2 235.295 -0.002 20 0 BBADLO CC[N@@H+](CCc1c[nH]nn1)Cc1cn(C)nn1 ZINC000660238412 411557908 /nfs/dbraw/zinc/55/79/08/411557908.db2.gz KVUATTBDCJKRAC-UHFFFAOYSA-N 1 2 235.295 -0.002 20 0 BBADLO CC[N@H+](CCc1c[nH]nn1)Cc1cn(C)nn1 ZINC000660238412 411557906 /nfs/dbraw/zinc/55/79/06/411557906.db2.gz KVUATTBDCJKRAC-UHFFFAOYSA-N 1 2 235.295 -0.002 20 0 BBADLO C[N@@H+](Cc1cc[nH]n1)[C@]1(CO)CCOC1 ZINC000660238487 411557658 /nfs/dbraw/zinc/55/76/58/411557658.db2.gz LMOQQMIMMQQXHH-JTQLQIEISA-N 1 2 211.265 -0.007 20 0 BBADLO C[N@H+](Cc1cc[nH]n1)[C@]1(CO)CCOC1 ZINC000660238487 411557657 /nfs/dbraw/zinc/55/76/57/411557657.db2.gz LMOQQMIMMQQXHH-JTQLQIEISA-N 1 2 211.265 -0.007 20 0 BBADLO C[N@@H+](Cc1cc[nH]n1)[C@@]1(CO)CCOC1 ZINC000660238488 411557598 /nfs/dbraw/zinc/55/75/98/411557598.db2.gz LMOQQMIMMQQXHH-SNVBAGLBSA-N 1 2 211.265 -0.007 20 0 BBADLO C[N@H+](Cc1cc[nH]n1)[C@@]1(CO)CCOC1 ZINC000660238488 411557597 /nfs/dbraw/zinc/55/75/97/411557597.db2.gz LMOQQMIMMQQXHH-SNVBAGLBSA-N 1 2 211.265 -0.007 20 0 BBADLO CCN1CC[N@@H+](C[C@@H](COC)OC)CC1=O ZINC000660274027 411563123 /nfs/dbraw/zinc/56/31/23/411563123.db2.gz IEUSOACMAIBNBY-JTQLQIEISA-N 1 2 230.308 -0.188 20 0 BBADLO CCN1CC[N@H+](C[C@@H](COC)OC)CC1=O ZINC000660274027 411563121 /nfs/dbraw/zinc/56/31/21/411563121.db2.gz IEUSOACMAIBNBY-JTQLQIEISA-N 1 2 230.308 -0.188 20 0 BBADLO CCN1CC[N@@H+](C[C@H](COC)OC)CC1=O ZINC000660274028 411562866 /nfs/dbraw/zinc/56/28/66/411562866.db2.gz IEUSOACMAIBNBY-SNVBAGLBSA-N 1 2 230.308 -0.188 20 0 BBADLO CCN1CC[N@H+](C[C@H](COC)OC)CC1=O ZINC000660274028 411562865 /nfs/dbraw/zinc/56/28/65/411562865.db2.gz IEUSOACMAIBNBY-SNVBAGLBSA-N 1 2 230.308 -0.188 20 0 BBADLO Cn1c[nH+]c(CN2CCN3C(=O)N=NC3C2)c1 ZINC000660276364 411564175 /nfs/dbraw/zinc/56/41/75/411564175.db2.gz BBODYSNUYIBEEZ-UHFFFAOYSA-N 1 2 234.263 -0.267 20 0 BBADLO CCN1OC[C@@H]([N@@H+](C)C2CC(O)C2)C1=O ZINC000660279254 411564785 /nfs/dbraw/zinc/56/47/85/411564785.db2.gz TUMLEUKXYZMQLS-AMDVSUOASA-N 1 2 214.265 -0.396 20 0 BBADLO CCN1OC[C@@H]([N@H+](C)C2CC(O)C2)C1=O ZINC000660279254 411564784 /nfs/dbraw/zinc/56/47/84/411564784.db2.gz TUMLEUKXYZMQLS-AMDVSUOASA-N 1 2 214.265 -0.396 20 0 BBADLO CCN1OC[C@H]([N@@H+](C)C2CC(O)C2)C1=O ZINC000660279271 411564752 /nfs/dbraw/zinc/56/47/52/411564752.db2.gz TUMLEUKXYZMQLS-HACHORDNSA-N 1 2 214.265 -0.396 20 0 BBADLO CCN1OC[C@H]([N@H+](C)C2CC(O)C2)C1=O ZINC000660279271 411564751 /nfs/dbraw/zinc/56/47/51/411564751.db2.gz TUMLEUKXYZMQLS-HACHORDNSA-N 1 2 214.265 -0.396 20 0 BBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+](C)C1CC(O)C1 ZINC000660279664 411564721 /nfs/dbraw/zinc/56/47/21/411564721.db2.gz YKHSYRFJROKOJH-HORUIINNSA-N 1 2 249.332 -0.747 20 0 BBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+](C)C1CC(O)C1 ZINC000660279664 411564720 /nfs/dbraw/zinc/56/47/20/411564720.db2.gz YKHSYRFJROKOJH-HORUIINNSA-N 1 2 249.332 -0.747 20 0 BBADLO C[C@H](O)C[C@@H]1COCC[N@H+]1CCc1cn[nH]n1 ZINC000660291242 411565917 /nfs/dbraw/zinc/56/59/17/411565917.db2.gz WPLPZMWUXFJZAX-GXSJLCMTSA-N 1 2 240.307 -0.181 20 0 BBADLO C[C@H](O)C[C@@H]1COCC[N@@H+]1CCc1cn[nH]n1 ZINC000660291242 411565916 /nfs/dbraw/zinc/56/59/16/411565916.db2.gz WPLPZMWUXFJZAX-GXSJLCMTSA-N 1 2 240.307 -0.181 20 0 BBADLO C[C@H](O)C[C@@H]1COCC[N@H+]1CCc1c[nH]nn1 ZINC000660291242 411565914 /nfs/dbraw/zinc/56/59/14/411565914.db2.gz WPLPZMWUXFJZAX-GXSJLCMTSA-N 1 2 240.307 -0.181 20 0 BBADLO C[C@H](O)C[C@@H]1COCC[N@@H+]1CCc1c[nH]nn1 ZINC000660291242 411565912 /nfs/dbraw/zinc/56/59/12/411565912.db2.gz WPLPZMWUXFJZAX-GXSJLCMTSA-N 1 2 240.307 -0.181 20 0 BBADLO C[C@@H](O)C[C@H]1COCC[N@H+]1CCc1cn[nH]n1 ZINC000660291248 411565419 /nfs/dbraw/zinc/56/54/19/411565419.db2.gz WPLPZMWUXFJZAX-KOLCDFICSA-N 1 2 240.307 -0.181 20 0 BBADLO C[C@@H](O)C[C@H]1COCC[N@@H+]1CCc1cn[nH]n1 ZINC000660291248 411565418 /nfs/dbraw/zinc/56/54/18/411565418.db2.gz WPLPZMWUXFJZAX-KOLCDFICSA-N 1 2 240.307 -0.181 20 0 BBADLO C[C@@H](O)C[C@H]1COCC[N@H+]1CCc1c[nH]nn1 ZINC000660291248 411565417 /nfs/dbraw/zinc/56/54/17/411565417.db2.gz WPLPZMWUXFJZAX-KOLCDFICSA-N 1 2 240.307 -0.181 20 0 BBADLO C[C@@H](O)C[C@H]1COCC[N@@H+]1CCc1c[nH]nn1 ZINC000660291248 411565416 /nfs/dbraw/zinc/56/54/16/411565416.db2.gz WPLPZMWUXFJZAX-KOLCDFICSA-N 1 2 240.307 -0.181 20 0 BBADLO C[C@@H](O)C[C@@H]1COCC[N@H+]1CCc1cn[nH]n1 ZINC000660291249 411565648 /nfs/dbraw/zinc/56/56/48/411565648.db2.gz WPLPZMWUXFJZAX-MWLCHTKSSA-N 1 2 240.307 -0.181 20 0 BBADLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1CCc1cn[nH]n1 ZINC000660291249 411565646 /nfs/dbraw/zinc/56/56/46/411565646.db2.gz WPLPZMWUXFJZAX-MWLCHTKSSA-N 1 2 240.307 -0.181 20 0 BBADLO C[C@@H](O)C[C@@H]1COCC[N@H+]1CCc1c[nH]nn1 ZINC000660291249 411565644 /nfs/dbraw/zinc/56/56/44/411565644.db2.gz WPLPZMWUXFJZAX-MWLCHTKSSA-N 1 2 240.307 -0.181 20 0 BBADLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1CCc1c[nH]nn1 ZINC000660291249 411565643 /nfs/dbraw/zinc/56/56/43/411565643.db2.gz WPLPZMWUXFJZAX-MWLCHTKSSA-N 1 2 240.307 -0.181 20 0 BBADLO C[C@H](O)C[C@H]1COCC[N@H+]1CCc1cn[nH]n1 ZINC000660291250 411565776 /nfs/dbraw/zinc/56/57/76/411565776.db2.gz WPLPZMWUXFJZAX-ONGXEEELSA-N 1 2 240.307 -0.181 20 0 BBADLO C[C@H](O)C[C@H]1COCC[N@@H+]1CCc1cn[nH]n1 ZINC000660291250 411565774 /nfs/dbraw/zinc/56/57/74/411565774.db2.gz WPLPZMWUXFJZAX-ONGXEEELSA-N 1 2 240.307 -0.181 20 0 BBADLO C[C@H](O)C[C@H]1COCC[N@H+]1CCc1c[nH]nn1 ZINC000660291250 411565773 /nfs/dbraw/zinc/56/57/73/411565773.db2.gz WPLPZMWUXFJZAX-ONGXEEELSA-N 1 2 240.307 -0.181 20 0 BBADLO C[C@H](O)C[C@H]1COCC[N@@H+]1CCc1c[nH]nn1 ZINC000660291250 411565771 /nfs/dbraw/zinc/56/57/71/411565771.db2.gz WPLPZMWUXFJZAX-ONGXEEELSA-N 1 2 240.307 -0.181 20 0 BBADLO c1n[nH]nc1CC[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000660297981 411566084 /nfs/dbraw/zinc/56/60/84/411566084.db2.gz SPKYMGMPJHBUAP-LLVKDONJSA-N 1 2 238.291 -0.162 20 0 BBADLO c1n[nH]nc1CC[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000660297981 411566083 /nfs/dbraw/zinc/56/60/83/411566083.db2.gz SPKYMGMPJHBUAP-LLVKDONJSA-N 1 2 238.291 -0.162 20 0 BBADLO c1[nH]nnc1CC[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000660297981 411566082 /nfs/dbraw/zinc/56/60/82/411566082.db2.gz SPKYMGMPJHBUAP-LLVKDONJSA-N 1 2 238.291 -0.162 20 0 BBADLO c1[nH]nnc1CC[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000660297981 411566081 /nfs/dbraw/zinc/56/60/81/411566081.db2.gz SPKYMGMPJHBUAP-LLVKDONJSA-N 1 2 238.291 -0.162 20 0 BBADLO c1n[nH]nc1CC[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000660297982 411566542 /nfs/dbraw/zinc/56/65/42/411566542.db2.gz SPKYMGMPJHBUAP-NSHDSACASA-N 1 2 238.291 -0.162 20 0 BBADLO c1n[nH]nc1CC[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000660297982 411566541 /nfs/dbraw/zinc/56/65/41/411566541.db2.gz SPKYMGMPJHBUAP-NSHDSACASA-N 1 2 238.291 -0.162 20 0 BBADLO c1[nH]nnc1CC[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000660297982 411566539 /nfs/dbraw/zinc/56/65/39/411566539.db2.gz SPKYMGMPJHBUAP-NSHDSACASA-N 1 2 238.291 -0.162 20 0 BBADLO c1[nH]nnc1CC[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000660297982 411566537 /nfs/dbraw/zinc/56/65/37/411566537.db2.gz SPKYMGMPJHBUAP-NSHDSACASA-N 1 2 238.291 -0.162 20 0 BBADLO CCc1nnc([C@H](C)[N@H+]2C[C@@H](O)C[C@H]2CO)[nH]1 ZINC000660301277 411566214 /nfs/dbraw/zinc/56/62/14/411566214.db2.gz ZOGKQPCNUXNTKI-CIUDSAMLSA-N 1 2 240.307 -0.144 20 0 BBADLO CCc1nnc([C@H](C)[N@@H+]2C[C@@H](O)C[C@H]2CO)[nH]1 ZINC000660301277 411566212 /nfs/dbraw/zinc/56/62/12/411566212.db2.gz ZOGKQPCNUXNTKI-CIUDSAMLSA-N 1 2 240.307 -0.144 20 0 BBADLO CCc1nnc([C@@H](C)[N@H+]2C[C@H](O)C[C@H]2CO)[nH]1 ZINC000660301278 411566422 /nfs/dbraw/zinc/56/64/22/411566422.db2.gz ZOGKQPCNUXNTKI-HRDYMLBCSA-N 1 2 240.307 -0.144 20 0 BBADLO CCc1nnc([C@@H](C)[N@@H+]2C[C@H](O)C[C@H]2CO)[nH]1 ZINC000660301278 411566420 /nfs/dbraw/zinc/56/64/20/411566420.db2.gz ZOGKQPCNUXNTKI-HRDYMLBCSA-N 1 2 240.307 -0.144 20 0 BBADLO CCc1nnc([C@@H](C)[N@H+]2C[C@@H](O)C[C@H]2CO)[nH]1 ZINC000660301281 411566769 /nfs/dbraw/zinc/56/67/69/411566769.db2.gz ZOGKQPCNUXNTKI-VGMNWLOBSA-N 1 2 240.307 -0.144 20 0 BBADLO CCc1nnc([C@@H](C)[N@@H+]2C[C@@H](O)C[C@H]2CO)[nH]1 ZINC000660301281 411566768 /nfs/dbraw/zinc/56/67/68/411566768.db2.gz ZOGKQPCNUXNTKI-VGMNWLOBSA-N 1 2 240.307 -0.144 20 0 BBADLO CCc1nnc([C@H](C)[N@H+]2C[C@H](O)C[C@H]2CO)[nH]1 ZINC000660301282 411566786 /nfs/dbraw/zinc/56/67/86/411566786.db2.gz ZOGKQPCNUXNTKI-XHNCKOQMSA-N 1 2 240.307 -0.144 20 0 BBADLO CCc1nnc([C@H](C)[N@@H+]2C[C@H](O)C[C@H]2CO)[nH]1 ZINC000660301282 411566785 /nfs/dbraw/zinc/56/67/85/411566785.db2.gz ZOGKQPCNUXNTKI-XHNCKOQMSA-N 1 2 240.307 -0.144 20 0 BBADLO CCc1nnc([C@H](C)[N@H+]2C[C@H](O)C[C@@H]2CO)[nH]1 ZINC000660316102 411568131 /nfs/dbraw/zinc/56/81/31/411568131.db2.gz ZOGKQPCNUXNTKI-DJLDLDEBSA-N 1 2 240.307 -0.144 20 0 BBADLO CCc1nnc([C@H](C)[N@@H+]2C[C@H](O)C[C@@H]2CO)[nH]1 ZINC000660316102 411568129 /nfs/dbraw/zinc/56/81/29/411568129.db2.gz ZOGKQPCNUXNTKI-DJLDLDEBSA-N 1 2 240.307 -0.144 20 0 BBADLO CCc1nnc([C@H](C)[N@H+]2C[C@@H](O)C[C@@H]2CO)[nH]1 ZINC000660316103 411567987 /nfs/dbraw/zinc/56/79/87/411567987.db2.gz ZOGKQPCNUXNTKI-YIZRAAEISA-N 1 2 240.307 -0.144 20 0 BBADLO CCc1nnc([C@H](C)[N@@H+]2C[C@@H](O)C[C@@H]2CO)[nH]1 ZINC000660316103 411567986 /nfs/dbraw/zinc/56/79/86/411567986.db2.gz ZOGKQPCNUXNTKI-YIZRAAEISA-N 1 2 240.307 -0.144 20 0 BBADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCc1cn[nH]n1 ZINC000660329735 411570344 /nfs/dbraw/zinc/57/03/44/411570344.db2.gz DNFDGVOWNKGGSC-MRVPVSSYSA-N 1 2 223.280 -0.490 20 0 BBADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCc1cn[nH]n1 ZINC000660329735 411570342 /nfs/dbraw/zinc/57/03/42/411570342.db2.gz DNFDGVOWNKGGSC-MRVPVSSYSA-N 1 2 223.280 -0.490 20 0 BBADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCc1cn[nH]n1 ZINC000660329736 411570242 /nfs/dbraw/zinc/57/02/42/411570242.db2.gz DNFDGVOWNKGGSC-QMMMGPOBSA-N 1 2 223.280 -0.490 20 0 BBADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCc1cn[nH]n1 ZINC000660329736 411570240 /nfs/dbraw/zinc/57/02/40/411570240.db2.gz DNFDGVOWNKGGSC-QMMMGPOBSA-N 1 2 223.280 -0.490 20 0 BBADLO C[C@@H]1CC[N@@H+](CCc2c[nH]nn2)[C@@H](C(N)=O)C1 ZINC000660332898 487942724 /nfs/dbraw/zinc/94/27/24/487942724.db2.gz XYDBEEXXVNGCFO-PSASIEDQSA-N 1 2 237.307 -0.067 20 0 BBADLO C[C@@H]1CC[N@H+](CCc2c[nH]nn2)[C@@H](C(N)=O)C1 ZINC000660332898 487942716 /nfs/dbraw/zinc/94/27/16/487942716.db2.gz XYDBEEXXVNGCFO-PSASIEDQSA-N 1 2 237.307 -0.067 20 0 BBADLO C[C@@H]1CC[N@@H+](CCc2c[nH]nn2)[C@H](C(N)=O)C1 ZINC000660332899 487942344 /nfs/dbraw/zinc/94/23/44/487942344.db2.gz XYDBEEXXVNGCFO-SCZZXKLOSA-N 1 2 237.307 -0.067 20 0 BBADLO C[C@@H]1CC[N@H+](CCc2c[nH]nn2)[C@H](C(N)=O)C1 ZINC000660332899 487942337 /nfs/dbraw/zinc/94/23/37/487942337.db2.gz XYDBEEXXVNGCFO-SCZZXKLOSA-N 1 2 237.307 -0.067 20 0 BBADLO C[C@H]1CC[N@@H+](CCc2c[nH]nn2)[C@@H](C(N)=O)C1 ZINC000660332900 487942145 /nfs/dbraw/zinc/94/21/45/487942145.db2.gz XYDBEEXXVNGCFO-WCBMZHEXSA-N 1 2 237.307 -0.067 20 0 BBADLO C[C@H]1CC[N@H+](CCc2c[nH]nn2)[C@@H](C(N)=O)C1 ZINC000660332900 487942141 /nfs/dbraw/zinc/94/21/41/487942141.db2.gz XYDBEEXXVNGCFO-WCBMZHEXSA-N 1 2 237.307 -0.067 20 0 BBADLO C[C@H]1CC[N@@H+](CCc2c[nH]nn2)[C@H](C(N)=O)C1 ZINC000660332901 487942944 /nfs/dbraw/zinc/94/29/44/487942944.db2.gz XYDBEEXXVNGCFO-WPRPVWTQSA-N 1 2 237.307 -0.067 20 0 BBADLO C[C@H]1CC[N@H+](CCc2c[nH]nn2)[C@H](C(N)=O)C1 ZINC000660332901 487942940 /nfs/dbraw/zinc/94/29/40/487942940.db2.gz XYDBEEXXVNGCFO-WPRPVWTQSA-N 1 2 237.307 -0.067 20 0 BBADLO CCN1OC[C@@H]([N@@H+](C)CC2(CO)CC2)C1=O ZINC000660373495 411442420 /nfs/dbraw/zinc/44/24/20/411442420.db2.gz ASGVXEJCOFWYME-SECBINFHSA-N 1 2 228.292 -0.147 20 0 BBADLO CCN1OC[C@@H]([N@H+](C)CC2(CO)CC2)C1=O ZINC000660373495 411442418 /nfs/dbraw/zinc/44/24/18/411442418.db2.gz ASGVXEJCOFWYME-SECBINFHSA-N 1 2 228.292 -0.147 20 0 BBADLO CCN1OC[C@H]([N@@H+](C)CC2(CO)CC2)C1=O ZINC000660373498 411442645 /nfs/dbraw/zinc/44/26/45/411442645.db2.gz ASGVXEJCOFWYME-VIFPVBQESA-N 1 2 228.292 -0.147 20 0 BBADLO CCN1OC[C@H]([N@H+](C)CC2(CO)CC2)C1=O ZINC000660373498 411442643 /nfs/dbraw/zinc/44/26/43/411442643.db2.gz ASGVXEJCOFWYME-VIFPVBQESA-N 1 2 228.292 -0.147 20 0 BBADLO COC[C@@H](C[N@H+]1CCc2nn[nH]c2C1)OC ZINC000660388477 411577617 /nfs/dbraw/zinc/57/76/17/411577617.db2.gz UAJKEYPTBGUWMX-MRVPVSSYSA-N 1 2 226.280 -0.176 20 0 BBADLO COC[C@@H](C[N@@H+]1CCc2nn[nH]c2C1)OC ZINC000660388477 411577616 /nfs/dbraw/zinc/57/76/16/411577616.db2.gz UAJKEYPTBGUWMX-MRVPVSSYSA-N 1 2 226.280 -0.176 20 0 BBADLO COC[C@H](C[N@H+]1CCc2nn[nH]c2C1)OC ZINC000660388478 411577497 /nfs/dbraw/zinc/57/74/97/411577497.db2.gz UAJKEYPTBGUWMX-QMMMGPOBSA-N 1 2 226.280 -0.176 20 0 BBADLO COC[C@H](C[N@@H+]1CCc2nn[nH]c2C1)OC ZINC000660388478 411577496 /nfs/dbraw/zinc/57/74/96/411577496.db2.gz UAJKEYPTBGUWMX-QMMMGPOBSA-N 1 2 226.280 -0.176 20 0 BBADLO CCN1CCC[N@@H+](CCc2cn[nH]n2)CC1=O ZINC000660389045 411577935 /nfs/dbraw/zinc/57/79/35/411577935.db2.gz PAGLIEXICSQIEO-UHFFFAOYSA-N 1 2 237.307 -0.099 20 0 BBADLO CCN1CCC[N@H+](CCc2cn[nH]n2)CC1=O ZINC000660389045 411577933 /nfs/dbraw/zinc/57/79/33/411577933.db2.gz PAGLIEXICSQIEO-UHFFFAOYSA-N 1 2 237.307 -0.099 20 0 BBADLO CCN1CCC[N@@H+](CCc2c[nH]nn2)CC1=O ZINC000660389045 411577932 /nfs/dbraw/zinc/57/79/32/411577932.db2.gz PAGLIEXICSQIEO-UHFFFAOYSA-N 1 2 237.307 -0.099 20 0 BBADLO CCN1CCC[N@H+](CCc2c[nH]nn2)CC1=O ZINC000660389045 411577930 /nfs/dbraw/zinc/57/79/30/411577930.db2.gz PAGLIEXICSQIEO-UHFFFAOYSA-N 1 2 237.307 -0.099 20 0 BBADLO CCN1CC[C@H]([N@@H+]2C[C@H](CO)O[C@@H](C)C2)C1=O ZINC000660389070 411577632 /nfs/dbraw/zinc/57/76/32/411577632.db2.gz PNDNUFFPENDZKJ-AXFHLTTASA-N 1 2 242.319 -0.311 20 0 BBADLO CCN1CC[C@H]([N@H+]2C[C@H](CO)O[C@@H](C)C2)C1=O ZINC000660389070 411577630 /nfs/dbraw/zinc/57/76/30/411577630.db2.gz PNDNUFFPENDZKJ-AXFHLTTASA-N 1 2 242.319 -0.311 20 0 BBADLO CCN1CC[C@H]([N@H+]2C[C@H](C)O[C@H](CO)C2)C1=O ZINC000660389071 411577294 /nfs/dbraw/zinc/57/72/94/411577294.db2.gz PNDNUFFPENDZKJ-DCAQKATOSA-N 1 2 242.319 -0.311 20 0 BBADLO CCN1CC[C@H]([N@@H+]2C[C@H](C)O[C@H](CO)C2)C1=O ZINC000660389071 411577292 /nfs/dbraw/zinc/57/72/92/411577292.db2.gz PNDNUFFPENDZKJ-DCAQKATOSA-N 1 2 242.319 -0.311 20 0 BBADLO CCN1CC[C@H]([N@H+]2C[C@@H](C)O[C@@H](CO)C2)C1=O ZINC000660389172 411577361 /nfs/dbraw/zinc/57/73/61/411577361.db2.gz PNDNUFFPENDZKJ-MXWKQRLJSA-N 1 2 242.319 -0.311 20 0 BBADLO CCN1CC[C@H]([N@@H+]2C[C@@H](C)O[C@@H](CO)C2)C1=O ZINC000660389172 411577360 /nfs/dbraw/zinc/57/73/60/411577360.db2.gz PNDNUFFPENDZKJ-MXWKQRLJSA-N 1 2 242.319 -0.311 20 0 BBADLO CCN1CC[C@H]([N@H+]2C[C@@H](C)O[C@H](CO)C2)C1=O ZINC000660389173 411577157 /nfs/dbraw/zinc/57/71/57/411577157.db2.gz PNDNUFFPENDZKJ-VWYCJHECSA-N 1 2 242.319 -0.311 20 0 BBADLO CCN1CC[C@H]([N@@H+]2C[C@@H](C)O[C@H](CO)C2)C1=O ZINC000660389173 411577155 /nfs/dbraw/zinc/57/71/55/411577155.db2.gz PNDNUFFPENDZKJ-VWYCJHECSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1C[N@@H+](CCc2cn[nH]n2)C[C@H](CO)O1 ZINC000660389806 411577780 /nfs/dbraw/zinc/57/77/80/411577780.db2.gz YRCDACBBUFYVAY-PSASIEDQSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@@H]1C[N@H+](CCc2cn[nH]n2)C[C@H](CO)O1 ZINC000660389806 411577778 /nfs/dbraw/zinc/57/77/78/411577778.db2.gz YRCDACBBUFYVAY-PSASIEDQSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@@H]1C[N@@H+](CCc2c[nH]nn2)C[C@H](CO)O1 ZINC000660389806 411577777 /nfs/dbraw/zinc/57/77/77/411577777.db2.gz YRCDACBBUFYVAY-PSASIEDQSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@@H]1C[N@H+](CCc2c[nH]nn2)C[C@H](CO)O1 ZINC000660389806 411577775 /nfs/dbraw/zinc/57/77/75/411577775.db2.gz YRCDACBBUFYVAY-PSASIEDQSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@@H]1C[N@@H+](CCc2cn[nH]n2)C[C@@H](CO)O1 ZINC000660389808 411577315 /nfs/dbraw/zinc/57/73/15/411577315.db2.gz YRCDACBBUFYVAY-SCZZXKLOSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@@H]1C[N@H+](CCc2cn[nH]n2)C[C@@H](CO)O1 ZINC000660389808 411577314 /nfs/dbraw/zinc/57/73/14/411577314.db2.gz YRCDACBBUFYVAY-SCZZXKLOSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@@H]1C[N@@H+](CCc2c[nH]nn2)C[C@@H](CO)O1 ZINC000660389808 411577312 /nfs/dbraw/zinc/57/73/12/411577312.db2.gz YRCDACBBUFYVAY-SCZZXKLOSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@@H]1C[N@H+](CCc2c[nH]nn2)C[C@@H](CO)O1 ZINC000660389808 411577310 /nfs/dbraw/zinc/57/73/10/411577310.db2.gz YRCDACBBUFYVAY-SCZZXKLOSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@H]1C[N@@H+](CCc2cn[nH]n2)C[C@H](CO)O1 ZINC000660389809 411578753 /nfs/dbraw/zinc/57/87/53/411578753.db2.gz YRCDACBBUFYVAY-WCBMZHEXSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@H]1C[N@H+](CCc2cn[nH]n2)C[C@H](CO)O1 ZINC000660389809 411578751 /nfs/dbraw/zinc/57/87/51/411578751.db2.gz YRCDACBBUFYVAY-WCBMZHEXSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@H]1C[N@@H+](CCc2c[nH]nn2)C[C@H](CO)O1 ZINC000660389809 411578749 /nfs/dbraw/zinc/57/87/49/411578749.db2.gz YRCDACBBUFYVAY-WCBMZHEXSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@H]1C[N@H+](CCc2c[nH]nn2)C[C@H](CO)O1 ZINC000660389809 411578748 /nfs/dbraw/zinc/57/87/48/411578748.db2.gz YRCDACBBUFYVAY-WCBMZHEXSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@H]1C[N@@H+](CCc2cn[nH]n2)C[C@@H](CO)O1 ZINC000660389811 411578114 /nfs/dbraw/zinc/57/81/14/411578114.db2.gz YRCDACBBUFYVAY-WPRPVWTQSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@H]1C[N@H+](CCc2cn[nH]n2)C[C@@H](CO)O1 ZINC000660389811 411578112 /nfs/dbraw/zinc/57/81/12/411578112.db2.gz YRCDACBBUFYVAY-WPRPVWTQSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@H]1C[N@@H+](CCc2c[nH]nn2)C[C@@H](CO)O1 ZINC000660389811 411578110 /nfs/dbraw/zinc/57/81/10/411578110.db2.gz YRCDACBBUFYVAY-WPRPVWTQSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@H]1C[N@H+](CCc2c[nH]nn2)C[C@@H](CO)O1 ZINC000660389811 411578108 /nfs/dbraw/zinc/57/81/08/411578108.db2.gz YRCDACBBUFYVAY-WPRPVWTQSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@H]1C(=O)NCCC[N@@H+]1CCc1cn[nH]n1 ZINC000660392319 411453350 /nfs/dbraw/zinc/45/33/50/411453350.db2.gz ZMIWIZHMVJZBBB-QMMMGPOBSA-N 1 2 223.280 -0.442 20 0 BBADLO C[C@H]1C(=O)NCCC[N@H+]1CCc1cn[nH]n1 ZINC000660392319 411453348 /nfs/dbraw/zinc/45/33/48/411453348.db2.gz ZMIWIZHMVJZBBB-QMMMGPOBSA-N 1 2 223.280 -0.442 20 0 BBADLO C[C@H]1C(=O)NCCC[N@@H+]1CCc1c[nH]nn1 ZINC000660392319 411453347 /nfs/dbraw/zinc/45/33/47/411453347.db2.gz ZMIWIZHMVJZBBB-QMMMGPOBSA-N 1 2 223.280 -0.442 20 0 BBADLO C[C@H]1C(=O)NCCC[N@H+]1CCc1c[nH]nn1 ZINC000660392319 411453345 /nfs/dbraw/zinc/45/33/45/411453345.db2.gz ZMIWIZHMVJZBBB-QMMMGPOBSA-N 1 2 223.280 -0.442 20 0 BBADLO CCN(CC[NH+]1C[C@@H](C)O[C@H](C)C1)CC(N)=O ZINC000660394089 411579247 /nfs/dbraw/zinc/57/92/47/411579247.db2.gz XNBYHNPTCDFHBU-GHMZBOCLSA-N 1 2 243.351 -0.097 20 0 BBADLO CCN(CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC(N)=O ZINC000660394090 411579512 /nfs/dbraw/zinc/57/95/12/411579512.db2.gz XNBYHNPTCDFHBU-PHIMTYICSA-N 1 2 243.351 -0.097 20 0 BBADLO CCN(CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC(N)=O ZINC000660394090 411579510 /nfs/dbraw/zinc/57/95/10/411579510.db2.gz XNBYHNPTCDFHBU-PHIMTYICSA-N 1 2 243.351 -0.097 20 0 BBADLO CCN(CC[NH+]1C[C@H](C)O[C@@H](C)C1)CC(N)=O ZINC000660394091 411579453 /nfs/dbraw/zinc/57/94/53/411579453.db2.gz XNBYHNPTCDFHBU-QWRGUYRKSA-N 1 2 243.351 -0.097 20 0 BBADLO COc1cc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)on1 ZINC000660394499 411453941 /nfs/dbraw/zinc/45/39/41/411453941.db2.gz AVZNEPYCEWEEBE-PSASIEDQSA-N 1 2 242.275 -0.142 20 0 BBADLO COc1cc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)on1 ZINC000660394499 411453939 /nfs/dbraw/zinc/45/39/39/411453939.db2.gz AVZNEPYCEWEEBE-PSASIEDQSA-N 1 2 242.275 -0.142 20 0 BBADLO COc1cc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)on1 ZINC000660394503 411454273 /nfs/dbraw/zinc/45/42/73/411454273.db2.gz AVZNEPYCEWEEBE-SCZZXKLOSA-N 1 2 242.275 -0.142 20 0 BBADLO COc1cc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)on1 ZINC000660394503 411454269 /nfs/dbraw/zinc/45/42/69/411454269.db2.gz AVZNEPYCEWEEBE-SCZZXKLOSA-N 1 2 242.275 -0.142 20 0 BBADLO COc1cc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)on1 ZINC000660394504 411453921 /nfs/dbraw/zinc/45/39/21/411453921.db2.gz AVZNEPYCEWEEBE-WCBMZHEXSA-N 1 2 242.275 -0.142 20 0 BBADLO COc1cc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)on1 ZINC000660394504 411453920 /nfs/dbraw/zinc/45/39/20/411453920.db2.gz AVZNEPYCEWEEBE-WCBMZHEXSA-N 1 2 242.275 -0.142 20 0 BBADLO COc1cc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)on1 ZINC000660394505 411454094 /nfs/dbraw/zinc/45/40/94/411454094.db2.gz AVZNEPYCEWEEBE-WPRPVWTQSA-N 1 2 242.275 -0.142 20 0 BBADLO COc1cc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)on1 ZINC000660394505 411454091 /nfs/dbraw/zinc/45/40/91/411454091.db2.gz AVZNEPYCEWEEBE-WPRPVWTQSA-N 1 2 242.275 -0.142 20 0 BBADLO OC[C@H]1CC[N@@H+](Cc2cc[nH]n2)C[C@H]1O ZINC000660396966 411460738 /nfs/dbraw/zinc/46/07/38/411460738.db2.gz WJXHMGZTELHXNN-PSASIEDQSA-N 1 2 211.265 -0.415 20 0 BBADLO OC[C@H]1CC[N@H+](Cc2cc[nH]n2)C[C@H]1O ZINC000660396966 411460735 /nfs/dbraw/zinc/46/07/35/411460735.db2.gz WJXHMGZTELHXNN-PSASIEDQSA-N 1 2 211.265 -0.415 20 0 BBADLO OC[C@H]1CC[N@@H+](Cc2cc[nH]n2)C[C@@H]1O ZINC000660396967 411459948 /nfs/dbraw/zinc/45/99/48/411459948.db2.gz WJXHMGZTELHXNN-SCZZXKLOSA-N 1 2 211.265 -0.415 20 0 BBADLO OC[C@H]1CC[N@H+](Cc2cc[nH]n2)C[C@@H]1O ZINC000660396967 411459946 /nfs/dbraw/zinc/45/99/46/411459946.db2.gz WJXHMGZTELHXNN-SCZZXKLOSA-N 1 2 211.265 -0.415 20 0 BBADLO OC[C@@H]1CC[N@@H+](Cc2cc[nH]n2)C[C@H]1O ZINC000660396968 411460271 /nfs/dbraw/zinc/46/02/71/411460271.db2.gz WJXHMGZTELHXNN-WCBMZHEXSA-N 1 2 211.265 -0.415 20 0 BBADLO OC[C@@H]1CC[N@H+](Cc2cc[nH]n2)C[C@H]1O ZINC000660396968 411460269 /nfs/dbraw/zinc/46/02/69/411460269.db2.gz WJXHMGZTELHXNN-WCBMZHEXSA-N 1 2 211.265 -0.415 20 0 BBADLO OC[C@@H]1CC[N@@H+](Cc2cc[nH]n2)C[C@@H]1O ZINC000660396969 411460647 /nfs/dbraw/zinc/46/06/47/411460647.db2.gz WJXHMGZTELHXNN-WPRPVWTQSA-N 1 2 211.265 -0.415 20 0 BBADLO OC[C@@H]1CC[N@H+](Cc2cc[nH]n2)C[C@@H]1O ZINC000660396969 411460644 /nfs/dbraw/zinc/46/06/44/411460644.db2.gz WJXHMGZTELHXNN-WPRPVWTQSA-N 1 2 211.265 -0.415 20 0 BBADLO CCN1OC[C@@H]([N@H+]2C[C@@H](OC)[C@@H](OC)C2)C1=O ZINC000660408930 411580598 /nfs/dbraw/zinc/58/05/98/411580598.db2.gz QVIFPQJCSKWVDK-BBBLOLIVSA-N 1 2 244.291 -0.506 20 0 BBADLO CCN1OC[C@@H]([N@@H+]2C[C@@H](OC)[C@@H](OC)C2)C1=O ZINC000660408930 411580596 /nfs/dbraw/zinc/58/05/96/411580596.db2.gz QVIFPQJCSKWVDK-BBBLOLIVSA-N 1 2 244.291 -0.506 20 0 BBADLO CCN1OC[C@H]([N@H+]2C[C@@H](OC)[C@@H](OC)C2)C1=O ZINC000660408934 411580982 /nfs/dbraw/zinc/58/09/82/411580982.db2.gz QVIFPQJCSKWVDK-LPEHRKFASA-N 1 2 244.291 -0.506 20 0 BBADLO CCN1OC[C@H]([N@@H+]2C[C@@H](OC)[C@@H](OC)C2)C1=O ZINC000660408934 411580981 /nfs/dbraw/zinc/58/09/81/411580981.db2.gz QVIFPQJCSKWVDK-LPEHRKFASA-N 1 2 244.291 -0.506 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCN1C(=O)CN(C)C1=O ZINC000660422347 411582804 /nfs/dbraw/zinc/58/28/04/411582804.db2.gz DGHNMDSJNNYERK-SECBINFHSA-N 1 2 241.291 -0.399 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCN1C(=O)CN(C)C1=O ZINC000660422347 411582803 /nfs/dbraw/zinc/58/28/03/411582803.db2.gz DGHNMDSJNNYERK-SECBINFHSA-N 1 2 241.291 -0.399 20 0 BBADLO CCN1OC[C@@H]([N@H+]2CCC[C@H](O)C2)C1=O ZINC000660435743 411584599 /nfs/dbraw/zinc/58/45/99/411584599.db2.gz KBBPKDAADYSQEV-DTWKUNHWSA-N 1 2 214.265 -0.395 20 0 BBADLO CCN1OC[C@@H]([N@@H+]2CCC[C@H](O)C2)C1=O ZINC000660435743 411584598 /nfs/dbraw/zinc/58/45/98/411584598.db2.gz KBBPKDAADYSQEV-DTWKUNHWSA-N 1 2 214.265 -0.395 20 0 BBADLO CCN1OC[C@H]([N@H+]2CCC[C@H](O)C2)C1=O ZINC000660435744 411584335 /nfs/dbraw/zinc/58/43/35/411584335.db2.gz KBBPKDAADYSQEV-IUCAKERBSA-N 1 2 214.265 -0.395 20 0 BBADLO CCN1OC[C@H]([N@@H+]2CCC[C@H](O)C2)C1=O ZINC000660435744 411584333 /nfs/dbraw/zinc/58/43/33/411584333.db2.gz KBBPKDAADYSQEV-IUCAKERBSA-N 1 2 214.265 -0.395 20 0 BBADLO CCN1OC[C@@H]([N@H+]2C[C@H](O)C(C)(C)C2)C1=O ZINC000660443540 411519830 /nfs/dbraw/zinc/51/98/30/411519830.db2.gz HPLRREBATOKADE-BDAKNGLRSA-N 1 2 228.292 -0.149 20 0 BBADLO CCN1OC[C@@H]([N@@H+]2C[C@H](O)C(C)(C)C2)C1=O ZINC000660443540 411519827 /nfs/dbraw/zinc/51/98/27/411519827.db2.gz HPLRREBATOKADE-BDAKNGLRSA-N 1 2 228.292 -0.149 20 0 BBADLO CCN1OC[C@H]([N@H+]2C[C@@H](O)C(C)(C)C2)C1=O ZINC000660443662 411515146 /nfs/dbraw/zinc/51/51/46/411515146.db2.gz HPLRREBATOKADE-DTWKUNHWSA-N 1 2 228.292 -0.149 20 0 BBADLO CCN1OC[C@H]([N@@H+]2C[C@@H](O)C(C)(C)C2)C1=O ZINC000660443662 411515142 /nfs/dbraw/zinc/51/51/42/411515142.db2.gz HPLRREBATOKADE-DTWKUNHWSA-N 1 2 228.292 -0.149 20 0 BBADLO CCN1OC[C@H]([N@H+]2C[C@H](O)C(C)(C)C2)C1=O ZINC000660443663 411514481 /nfs/dbraw/zinc/51/44/81/411514481.db2.gz HPLRREBATOKADE-IUCAKERBSA-N 1 2 228.292 -0.149 20 0 BBADLO CCN1OC[C@H]([N@@H+]2C[C@H](O)C(C)(C)C2)C1=O ZINC000660443663 411514478 /nfs/dbraw/zinc/51/44/78/411514478.db2.gz HPLRREBATOKADE-IUCAKERBSA-N 1 2 228.292 -0.149 20 0 BBADLO CCN1OC[C@@H]([N@H+]2C[C@@H](O)C(C)(C)C2)C1=O ZINC000660443664 411515360 /nfs/dbraw/zinc/51/53/60/411515360.db2.gz HPLRREBATOKADE-RKDXNWHRSA-N 1 2 228.292 -0.149 20 0 BBADLO CCN1OC[C@@H]([N@@H+]2C[C@@H](O)C(C)(C)C2)C1=O ZINC000660443664 411515356 /nfs/dbraw/zinc/51/53/56/411515356.db2.gz HPLRREBATOKADE-RKDXNWHRSA-N 1 2 228.292 -0.149 20 0 BBADLO CNC(=O)[C@]1(C)CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660460353 411587960 /nfs/dbraw/zinc/58/79/60/411587960.db2.gz IAGRQMYUDIHXKG-LLVKDONJSA-N 1 2 237.307 -0.195 20 0 BBADLO CNC(=O)[C@]1(C)CC[N@H+](CCc2cnn[nH]2)C1 ZINC000660460353 411587959 /nfs/dbraw/zinc/58/79/59/411587959.db2.gz IAGRQMYUDIHXKG-LLVKDONJSA-N 1 2 237.307 -0.195 20 0 BBADLO CNC(=O)[C@@]1(C)CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660460355 411588189 /nfs/dbraw/zinc/58/81/89/411588189.db2.gz IAGRQMYUDIHXKG-NSHDSACASA-N 1 2 237.307 -0.195 20 0 BBADLO CNC(=O)[C@@]1(C)CC[N@H+](CCc2cnn[nH]2)C1 ZINC000660460355 411588187 /nfs/dbraw/zinc/58/81/87/411588187.db2.gz IAGRQMYUDIHXKG-NSHDSACASA-N 1 2 237.307 -0.195 20 0 BBADLO C[C@]1(C(N)=O)CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660462892 411171999 /nfs/dbraw/zinc/17/19/99/411171999.db2.gz WQHYEBVODIXVND-JTQLQIEISA-N 1 2 223.280 -0.456 20 0 BBADLO C[C@]1(C(N)=O)CC[N@H+](CCc2cnn[nH]2)C1 ZINC000660462892 411171996 /nfs/dbraw/zinc/17/19/96/411171996.db2.gz WQHYEBVODIXVND-JTQLQIEISA-N 1 2 223.280 -0.456 20 0 BBADLO C[C@@]1(C(N)=O)CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660462893 411172802 /nfs/dbraw/zinc/17/28/02/411172802.db2.gz WQHYEBVODIXVND-SNVBAGLBSA-N 1 2 223.280 -0.456 20 0 BBADLO C[C@@]1(C(N)=O)CC[N@H+](CCc2cnn[nH]2)C1 ZINC000660462893 411172799 /nfs/dbraw/zinc/17/27/99/411172799.db2.gz WQHYEBVODIXVND-SNVBAGLBSA-N 1 2 223.280 -0.456 20 0 BBADLO CCN1OC[C@@H]([N@@H+](C)CCCO)C1=O ZINC000660477781 411591637 /nfs/dbraw/zinc/59/16/37/411591637.db2.gz PKXFFRHKNYHTSR-MRVPVSSYSA-N 1 2 202.254 -0.537 20 0 BBADLO CCN1OC[C@@H]([N@H+](C)CCCO)C1=O ZINC000660477781 411591636 /nfs/dbraw/zinc/59/16/36/411591636.db2.gz PKXFFRHKNYHTSR-MRVPVSSYSA-N 1 2 202.254 -0.537 20 0 BBADLO CCN1OC[C@H]([N@@H+](C)CCCO)C1=O ZINC000660477783 411591436 /nfs/dbraw/zinc/59/14/36/411591436.db2.gz PKXFFRHKNYHTSR-QMMMGPOBSA-N 1 2 202.254 -0.537 20 0 BBADLO CCN1OC[C@H]([N@H+](C)CCCO)C1=O ZINC000660477783 411591435 /nfs/dbraw/zinc/59/14/35/411591435.db2.gz PKXFFRHKNYHTSR-QMMMGPOBSA-N 1 2 202.254 -0.537 20 0 BBADLO c1n[nH]nc1CC[N@H+]1CCOC[C@]12CCOC2 ZINC000660478034 411591016 /nfs/dbraw/zinc/59/10/16/411591016.db2.gz LNTQTVHDILLYHO-LLVKDONJSA-N 1 2 238.291 -0.162 20 0 BBADLO c1n[nH]nc1CC[N@@H+]1CCOC[C@]12CCOC2 ZINC000660478034 411591014 /nfs/dbraw/zinc/59/10/14/411591014.db2.gz LNTQTVHDILLYHO-LLVKDONJSA-N 1 2 238.291 -0.162 20 0 BBADLO c1n[nH]nc1CC[N@H+]1CCOC[C@@]12CCOC2 ZINC000660478035 411591537 /nfs/dbraw/zinc/59/15/37/411591537.db2.gz LNTQTVHDILLYHO-NSHDSACASA-N 1 2 238.291 -0.162 20 0 BBADLO c1n[nH]nc1CC[N@@H+]1CCOC[C@@]12CCOC2 ZINC000660478035 411591536 /nfs/dbraw/zinc/59/15/36/411591536.db2.gz LNTQTVHDILLYHO-NSHDSACASA-N 1 2 238.291 -0.162 20 0 BBADLO CCN1OC[C@H]([N@@H+](CC)CCOCCO)C1=O ZINC000660478122 411231417 /nfs/dbraw/zinc/23/14/17/411231417.db2.gz ACOBPKKJDFCHTP-JTQLQIEISA-N 1 2 246.307 -0.521 20 0 BBADLO CCN1OC[C@H]([N@H+](CC)CCOCCO)C1=O ZINC000660478122 411231415 /nfs/dbraw/zinc/23/14/15/411231415.db2.gz ACOBPKKJDFCHTP-JTQLQIEISA-N 1 2 246.307 -0.521 20 0 BBADLO CCN1OC[C@@H]([N@@H+](CC)CCOCCO)C1=O ZINC000660478124 411231676 /nfs/dbraw/zinc/23/16/76/411231676.db2.gz ACOBPKKJDFCHTP-SNVBAGLBSA-N 1 2 246.307 -0.521 20 0 BBADLO CCN1OC[C@@H]([N@H+](CC)CCOCCO)C1=O ZINC000660478124 411231673 /nfs/dbraw/zinc/23/16/73/411231673.db2.gz ACOBPKKJDFCHTP-SNVBAGLBSA-N 1 2 246.307 -0.521 20 0 BBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+](C)CCCO ZINC000660479017 411591430 /nfs/dbraw/zinc/59/14/30/411591430.db2.gz VOOAQZBTOIMDJE-DTWKUNHWSA-N 1 2 237.321 -0.887 20 0 BBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+](C)CCCO ZINC000660479017 411591428 /nfs/dbraw/zinc/59/14/28/411591428.db2.gz VOOAQZBTOIMDJE-DTWKUNHWSA-N 1 2 237.321 -0.887 20 0 BBADLO CCN1CC[C@@H]([N@@H+]2CC(=O)N(C)[C@H](C)C2)C1=O ZINC000660482370 411592351 /nfs/dbraw/zinc/59/23/51/411592351.db2.gz FISBWLQZNHZWBQ-NXEZZACHSA-N 1 2 239.319 -0.230 20 0 BBADLO CCN1CC[C@@H]([N@H+]2CC(=O)N(C)[C@H](C)C2)C1=O ZINC000660482370 411592350 /nfs/dbraw/zinc/59/23/50/411592350.db2.gz FISBWLQZNHZWBQ-NXEZZACHSA-N 1 2 239.319 -0.230 20 0 BBADLO CCN1CC[C@H]([N@@H+]2CC(=O)N(C)[C@@H](C)C2)C1=O ZINC000660482373 411592245 /nfs/dbraw/zinc/59/22/45/411592245.db2.gz FISBWLQZNHZWBQ-UWVGGRQHSA-N 1 2 239.319 -0.230 20 0 BBADLO CCN1CC[C@H]([N@H+]2CC(=O)N(C)[C@@H](C)C2)C1=O ZINC000660482373 411592244 /nfs/dbraw/zinc/59/22/44/411592244.db2.gz FISBWLQZNHZWBQ-UWVGGRQHSA-N 1 2 239.319 -0.230 20 0 BBADLO CCN1CC[C@@H]([N@@H+]2CC(=O)N(C)[C@@H](C)C2)C1=O ZINC000660482376 411592201 /nfs/dbraw/zinc/59/22/01/411592201.db2.gz FISBWLQZNHZWBQ-VHSXEESVSA-N 1 2 239.319 -0.230 20 0 BBADLO CCN1CC[C@@H]([N@H+]2CC(=O)N(C)[C@@H](C)C2)C1=O ZINC000660482376 411592199 /nfs/dbraw/zinc/59/21/99/411592199.db2.gz FISBWLQZNHZWBQ-VHSXEESVSA-N 1 2 239.319 -0.230 20 0 BBADLO CCN1CC[C@H]([N@@H+]2CC(=O)N(C)[C@H](C)C2)C1=O ZINC000660482378 411592110 /nfs/dbraw/zinc/59/21/10/411592110.db2.gz FISBWLQZNHZWBQ-ZJUUUORDSA-N 1 2 239.319 -0.230 20 0 BBADLO CCN1CC[C@H]([N@H+]2CC(=O)N(C)[C@H](C)C2)C1=O ZINC000660482378 411592108 /nfs/dbraw/zinc/59/21/08/411592108.db2.gz FISBWLQZNHZWBQ-ZJUUUORDSA-N 1 2 239.319 -0.230 20 0 BBADLO C[C@@H]1C[N@@H+](CCc2cn[nH]n2)CC(=O)N1C ZINC000660482904 411592374 /nfs/dbraw/zinc/59/23/74/411592374.db2.gz KEVXDRPAMQUOJH-MRVPVSSYSA-N 1 2 223.280 -0.490 20 0 BBADLO C[C@@H]1C[N@H+](CCc2cn[nH]n2)CC(=O)N1C ZINC000660482904 411592372 /nfs/dbraw/zinc/59/23/72/411592372.db2.gz KEVXDRPAMQUOJH-MRVPVSSYSA-N 1 2 223.280 -0.490 20 0 BBADLO C[C@H]1C[N@@H+](CCc2cn[nH]n2)CC(=O)N1C ZINC000660482905 411592137 /nfs/dbraw/zinc/59/21/37/411592137.db2.gz KEVXDRPAMQUOJH-QMMMGPOBSA-N 1 2 223.280 -0.490 20 0 BBADLO C[C@H]1C[N@H+](CCc2cn[nH]n2)CC(=O)N1C ZINC000660482905 411592136 /nfs/dbraw/zinc/59/21/36/411592136.db2.gz KEVXDRPAMQUOJH-QMMMGPOBSA-N 1 2 223.280 -0.490 20 0 BBADLO COCCN1CN(Cc2cn(C)c[nH+]2)CC1=O ZINC000660484860 411592804 /nfs/dbraw/zinc/59/28/04/411592804.db2.gz DCEMEMLITMZYLF-UHFFFAOYSA-N 1 2 238.291 -0.332 20 0 BBADLO CCN1OC[C@@H]([N@@H+](C)CCOCCO)C1=O ZINC000660485394 411592750 /nfs/dbraw/zinc/59/27/50/411592750.db2.gz LFDOASWCBPZLEF-SECBINFHSA-N 1 2 232.280 -0.911 20 0 BBADLO CCN1OC[C@@H]([N@H+](C)CCOCCO)C1=O ZINC000660485394 411592749 /nfs/dbraw/zinc/59/27/49/411592749.db2.gz LFDOASWCBPZLEF-SECBINFHSA-N 1 2 232.280 -0.911 20 0 BBADLO CCN1OC[C@H]([N@@H+](C)CCOCCO)C1=O ZINC000660485395 411593075 /nfs/dbraw/zinc/59/30/75/411593075.db2.gz LFDOASWCBPZLEF-VIFPVBQESA-N 1 2 232.280 -0.911 20 0 BBADLO CCN1OC[C@H]([N@H+](C)CCOCCO)C1=O ZINC000660485395 411593071 /nfs/dbraw/zinc/59/30/71/411593071.db2.gz LFDOASWCBPZLEF-VIFPVBQESA-N 1 2 232.280 -0.911 20 0 BBADLO CCN1CC[C@H]([N@H+]2C[C@@H]3COC[C@H](C2)O3)C1=O ZINC000660487180 411306556 /nfs/dbraw/zinc/30/65/56/411306556.db2.gz MTDWDZDOLXOCDX-AXFHLTTASA-N 1 2 240.303 -0.293 20 0 BBADLO CCN1CC[C@H]([N@@H+]2C[C@@H]3COC[C@H](C2)O3)C1=O ZINC000660487180 411306553 /nfs/dbraw/zinc/30/65/53/411306553.db2.gz MTDWDZDOLXOCDX-AXFHLTTASA-N 1 2 240.303 -0.293 20 0 BBADLO CCN1CC[C@@H]([N@H+]2C[C@@H]3COC[C@H](C2)O3)C1=O ZINC000660487188 411306668 /nfs/dbraw/zinc/30/66/68/411306668.db2.gz MTDWDZDOLXOCDX-OUAUKWLOSA-N 1 2 240.303 -0.293 20 0 BBADLO CCN1CC[C@@H]([N@@H+]2C[C@@H]3COC[C@H](C2)O3)C1=O ZINC000660487188 411306667 /nfs/dbraw/zinc/30/66/67/411306667.db2.gz MTDWDZDOLXOCDX-OUAUKWLOSA-N 1 2 240.303 -0.293 20 0 BBADLO c1n[nH]nc1CC[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000660487923 411592760 /nfs/dbraw/zinc/59/27/60/411592760.db2.gz POPKIRXFZLUYPP-AOOOYVTPSA-N 1 2 224.264 -0.553 20 0 BBADLO c1n[nH]nc1CC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000660487923 411592759 /nfs/dbraw/zinc/59/27/59/411592759.db2.gz POPKIRXFZLUYPP-AOOOYVTPSA-N 1 2 224.264 -0.553 20 0 BBADLO c1[nH]nnc1CC[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000660487923 411592757 /nfs/dbraw/zinc/59/27/57/411592757.db2.gz POPKIRXFZLUYPP-AOOOYVTPSA-N 1 2 224.264 -0.553 20 0 BBADLO c1[nH]nnc1CC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000660487923 411592755 /nfs/dbraw/zinc/59/27/55/411592755.db2.gz POPKIRXFZLUYPP-AOOOYVTPSA-N 1 2 224.264 -0.553 20 0 BBADLO OC[C@@]1(F)CC[N@@H+](CCc2cn[nH]n2)C1 ZINC000660493046 411593713 /nfs/dbraw/zinc/59/37/13/411593713.db2.gz WVCGUENPBNNMKQ-SECBINFHSA-N 1 2 214.244 -0.247 20 0 BBADLO OC[C@@]1(F)CC[N@H+](CCc2cn[nH]n2)C1 ZINC000660493046 411593711 /nfs/dbraw/zinc/59/37/11/411593711.db2.gz WVCGUENPBNNMKQ-SECBINFHSA-N 1 2 214.244 -0.247 20 0 BBADLO OC[C@@]1(F)CC[N@@H+](CCc2c[nH]nn2)C1 ZINC000660493046 411593710 /nfs/dbraw/zinc/59/37/10/411593710.db2.gz WVCGUENPBNNMKQ-SECBINFHSA-N 1 2 214.244 -0.247 20 0 BBADLO OC[C@@]1(F)CC[N@H+](CCc2c[nH]nn2)C1 ZINC000660493046 411593708 /nfs/dbraw/zinc/59/37/08/411593708.db2.gz WVCGUENPBNNMKQ-SECBINFHSA-N 1 2 214.244 -0.247 20 0 BBADLO OC[C@]1(F)CC[N@@H+](CCc2cn[nH]n2)C1 ZINC000660493048 411593950 /nfs/dbraw/zinc/59/39/50/411593950.db2.gz WVCGUENPBNNMKQ-VIFPVBQESA-N 1 2 214.244 -0.247 20 0 BBADLO OC[C@]1(F)CC[N@H+](CCc2cn[nH]n2)C1 ZINC000660493048 411593948 /nfs/dbraw/zinc/59/39/48/411593948.db2.gz WVCGUENPBNNMKQ-VIFPVBQESA-N 1 2 214.244 -0.247 20 0 BBADLO OC[C@]1(F)CC[N@@H+](CCc2c[nH]nn2)C1 ZINC000660493048 411593947 /nfs/dbraw/zinc/59/39/47/411593947.db2.gz WVCGUENPBNNMKQ-VIFPVBQESA-N 1 2 214.244 -0.247 20 0 BBADLO OC[C@]1(F)CC[N@H+](CCc2c[nH]nn2)C1 ZINC000660493048 411593945 /nfs/dbraw/zinc/59/39/45/411593945.db2.gz WVCGUENPBNNMKQ-VIFPVBQESA-N 1 2 214.244 -0.247 20 0 BBADLO CCN1OC[C@H]([N@@H+](C)CCOCCOC)C1=O ZINC000660560320 411598097 /nfs/dbraw/zinc/59/80/97/411598097.db2.gz FQKLZJMFBJFADI-JTQLQIEISA-N 1 2 246.307 -0.257 20 0 BBADLO CCN1OC[C@H]([N@H+](C)CCOCCOC)C1=O ZINC000660560320 411598095 /nfs/dbraw/zinc/59/80/95/411598095.db2.gz FQKLZJMFBJFADI-JTQLQIEISA-N 1 2 246.307 -0.257 20 0 BBADLO CCN1OC[C@@H]([N@@H+](C)CCOCCOC)C1=O ZINC000660560322 411597899 /nfs/dbraw/zinc/59/78/99/411597899.db2.gz FQKLZJMFBJFADI-SNVBAGLBSA-N 1 2 246.307 -0.257 20 0 BBADLO CCN1OC[C@@H]([N@H+](C)CCOCCOC)C1=O ZINC000660560322 411597897 /nfs/dbraw/zinc/59/78/97/411597897.db2.gz FQKLZJMFBJFADI-SNVBAGLBSA-N 1 2 246.307 -0.257 20 0 BBADLO O=C(CN1CCn2c[nH+]cc2C1)N1CCNC1=O ZINC000660577547 411603233 /nfs/dbraw/zinc/60/32/33/411603233.db2.gz JZQUEHOHOPLMJN-UHFFFAOYSA-N 1 2 249.274 -0.750 20 0 BBADLO Cn1nnnc1CN1CCn2c[nH+]cc2C1 ZINC000660578376 411603259 /nfs/dbraw/zinc/60/32/59/411603259.db2.gz LVSYMAYMFDWHFT-UHFFFAOYSA-N 1 2 219.252 -0.578 20 0 BBADLO COC[C@@H](O)CN1CCn2c[nH+]cc2C1 ZINC000660578380 411603297 /nfs/dbraw/zinc/60/32/97/411603297.db2.gz OVHXIRFSUODMLV-JTQLQIEISA-N 1 2 211.265 -0.294 20 0 BBADLO COC[C@@H](O)C[N@H+]1CCn2cncc2C1 ZINC000660578380 411603296 /nfs/dbraw/zinc/60/32/96/411603296.db2.gz OVHXIRFSUODMLV-JTQLQIEISA-N 1 2 211.265 -0.294 20 0 BBADLO COC[C@@H](O)C[N@@H+]1CCn2cncc2C1 ZINC000660578380 411603295 /nfs/dbraw/zinc/60/32/95/411603295.db2.gz OVHXIRFSUODMLV-JTQLQIEISA-N 1 2 211.265 -0.294 20 0 BBADLO CS(=O)(=O)NCCN1CCn2c[nH+]cc2C1 ZINC000660579051 411603248 /nfs/dbraw/zinc/60/32/48/411603248.db2.gz TYTGSPFLFZAHSZ-UHFFFAOYSA-N 1 2 244.320 -0.752 20 0 BBADLO OCCOCCN1CCn2c[nH+]cc2C1 ZINC000660579112 411602766 /nfs/dbraw/zinc/60/27/66/411602766.db2.gz VHCVLJGJRMVYKH-UHFFFAOYSA-N 1 2 211.265 -0.292 20 0 BBADLO O=C1CCC(=O)N1CCN1CCn2c[nH+]cc2C1 ZINC000660581041 411334849 /nfs/dbraw/zinc/33/48/49/411334849.db2.gz ZVTUKVRWEBBNGV-UHFFFAOYSA-N 1 2 248.286 -0.152 20 0 BBADLO C[C@H](c1nnnn1C)N1CCn2c[nH+]cc2C1 ZINC000660581551 411602627 /nfs/dbraw/zinc/60/26/27/411602627.db2.gz FYZUGZMZBKZKMD-MRVPVSSYSA-N 1 2 233.279 -0.017 20 0 BBADLO C[C@@H](c1nnnn1C)N1CCn2c[nH+]cc2C1 ZINC000660581554 411603328 /nfs/dbraw/zinc/60/33/28/411603328.db2.gz FYZUGZMZBKZKMD-QMMMGPOBSA-N 1 2 233.279 -0.017 20 0 BBADLO CCN1OC[C@H](N2CCn3c[nH+]cc3C2)C1=O ZINC000660581643 411603382 /nfs/dbraw/zinc/60/33/82/411603382.db2.gz HUZSSAXDOYCESG-JTQLQIEISA-N 1 2 236.275 -0.139 20 0 BBADLO CCN1OC[C@@H](N2CCn3c[nH+]cc3C2)C1=O ZINC000660581644 411603445 /nfs/dbraw/zinc/60/34/45/411603445.db2.gz HUZSSAXDOYCESG-SNVBAGLBSA-N 1 2 236.275 -0.139 20 0 BBADLO O=C1NCCC[C@@H]1N1CCn2c[nH+]cc2C1 ZINC000660582416 411602632 /nfs/dbraw/zinc/60/26/32/411602632.db2.gz PPFSXVWXIMXFKI-JTQLQIEISA-N 1 2 220.276 -0.023 20 0 BBADLO O=C1NCCC[C@H]1N1CCn2c[nH+]cc2C1 ZINC000660582418 411603275 /nfs/dbraw/zinc/60/32/75/411603275.db2.gz PPFSXVWXIMXFKI-SNVBAGLBSA-N 1 2 220.276 -0.023 20 0 BBADLO Cn1nnc(CN2CCn3c[nH+]cc3C2)n1 ZINC000660582599 411603090 /nfs/dbraw/zinc/60/30/90/411603090.db2.gz WRDJUPJLOFQTCA-UHFFFAOYSA-N 1 2 219.252 -0.578 20 0 BBADLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1cn[nH]c1 ZINC000660634840 411363691 /nfs/dbraw/zinc/36/36/91/411363691.db2.gz BMUGFCMOYBASFK-QMMMGPOBSA-N 1 2 212.253 -0.658 20 0 BBADLO COC[C@@H](C(N)=O)[N@H+](C)Cc1cn[nH]c1 ZINC000660634840 411363688 /nfs/dbraw/zinc/36/36/88/411363688.db2.gz BMUGFCMOYBASFK-QMMMGPOBSA-N 1 2 212.253 -0.658 20 0 BBADLO C[C@@H]1C[N@@H+](CCN2C(=O)CN(C)C2=O)CCO1 ZINC000660638385 411610179 /nfs/dbraw/zinc/61/01/79/411610179.db2.gz CMQILVGMNIMJMU-SECBINFHSA-N 1 2 241.291 -0.399 20 0 BBADLO C[C@@H]1C[N@H+](CCN2C(=O)CN(C)C2=O)CCO1 ZINC000660638385 411610178 /nfs/dbraw/zinc/61/01/78/411610178.db2.gz CMQILVGMNIMJMU-SECBINFHSA-N 1 2 241.291 -0.399 20 0 BBADLO C[C@H]1C[N@@H+](CCN2C(=O)CN(C)C2=O)CCO1 ZINC000660638387 411610476 /nfs/dbraw/zinc/61/04/76/411610476.db2.gz CMQILVGMNIMJMU-VIFPVBQESA-N 1 2 241.291 -0.399 20 0 BBADLO C[C@H]1C[N@H+](CCN2C(=O)CN(C)C2=O)CCO1 ZINC000660638387 411610474 /nfs/dbraw/zinc/61/04/74/411610474.db2.gz CMQILVGMNIMJMU-VIFPVBQESA-N 1 2 241.291 -0.399 20 0 BBADLO C[C@H]1COCC[N@H+]1CCN1C(=O)CN(C)C1=O ZINC000660647359 411608657 /nfs/dbraw/zinc/60/86/57/411608657.db2.gz DGHNMDSJNNYERK-VIFPVBQESA-N 1 2 241.291 -0.399 20 0 BBADLO C[C@H]1COCC[N@@H+]1CCN1C(=O)CN(C)C1=O ZINC000660647359 411608656 /nfs/dbraw/zinc/60/86/56/411608656.db2.gz DGHNMDSJNNYERK-VIFPVBQESA-N 1 2 241.291 -0.399 20 0 BBADLO COc1cc(C[N@H+]2CCOC[C@H](O)C2)on1 ZINC000660668176 411615563 /nfs/dbraw/zinc/61/55/63/411615563.db2.gz CSXUUBSBJPPPMJ-MRVPVSSYSA-N 1 2 228.248 -0.124 20 0 BBADLO COc1cc(C[N@@H+]2CCOC[C@H](O)C2)on1 ZINC000660668176 411615562 /nfs/dbraw/zinc/61/55/62/411615562.db2.gz CSXUUBSBJPPPMJ-MRVPVSSYSA-N 1 2 228.248 -0.124 20 0 BBADLO COc1cc(C[N@H+]2CCOC[C@@H](O)C2)on1 ZINC000660668178 411615656 /nfs/dbraw/zinc/61/56/56/411615656.db2.gz CSXUUBSBJPPPMJ-QMMMGPOBSA-N 1 2 228.248 -0.124 20 0 BBADLO COc1cc(C[N@@H+]2CCOC[C@@H](O)C2)on1 ZINC000660668178 411615655 /nfs/dbraw/zinc/61/56/55/411615655.db2.gz CSXUUBSBJPPPMJ-QMMMGPOBSA-N 1 2 228.248 -0.124 20 0 BBADLO Cn1cnc(C[N@H+]2CCOC[C@@H](O)C2)c1 ZINC000660668392 411377991 /nfs/dbraw/zinc/37/79/91/411377991.db2.gz FPAZCDBYZZEMPG-JTQLQIEISA-N 1 2 211.265 -0.387 20 0 BBADLO Cn1cnc(C[N@@H+]2CCOC[C@@H](O)C2)c1 ZINC000660668392 411377988 /nfs/dbraw/zinc/37/79/88/411377988.db2.gz FPAZCDBYZZEMPG-JTQLQIEISA-N 1 2 211.265 -0.387 20 0 BBADLO Cn1cnc(C[N@H+]2CCOC[C@H](O)C2)c1 ZINC000660668398 411378008 /nfs/dbraw/zinc/37/80/08/411378008.db2.gz FPAZCDBYZZEMPG-SNVBAGLBSA-N 1 2 211.265 -0.387 20 0 BBADLO Cn1cnc(C[N@@H+]2CCOC[C@H](O)C2)c1 ZINC000660668398 411378006 /nfs/dbraw/zinc/37/80/06/411378006.db2.gz FPAZCDBYZZEMPG-SNVBAGLBSA-N 1 2 211.265 -0.387 20 0 BBADLO COC[C@H](C[N@@H+]1CC(=O)N[C@H](C)C1)OC ZINC000660724253 409651091 /nfs/dbraw/zinc/65/10/91/409651091.db2.gz CCNMXQNRUWWZRO-BDAKNGLRSA-N 1 2 216.281 -0.532 20 0 BBADLO COC[C@H](C[N@H+]1CC(=O)N[C@H](C)C1)OC ZINC000660724253 409651086 /nfs/dbraw/zinc/65/10/86/409651086.db2.gz CCNMXQNRUWWZRO-BDAKNGLRSA-N 1 2 216.281 -0.532 20 0 BBADLO COC[C@@H](C[N@@H+]1CC(=O)N[C@@H](C)C1)OC ZINC000660724254 409650767 /nfs/dbraw/zinc/65/07/67/409650767.db2.gz CCNMXQNRUWWZRO-DTWKUNHWSA-N 1 2 216.281 -0.532 20 0 BBADLO COC[C@@H](C[N@H+]1CC(=O)N[C@@H](C)C1)OC ZINC000660724254 409650758 /nfs/dbraw/zinc/65/07/58/409650758.db2.gz CCNMXQNRUWWZRO-DTWKUNHWSA-N 1 2 216.281 -0.532 20 0 BBADLO COC[C@H](C[N@@H+]1CC(=O)N[C@@H](C)C1)OC ZINC000660724255 409650536 /nfs/dbraw/zinc/65/05/36/409650536.db2.gz CCNMXQNRUWWZRO-IUCAKERBSA-N 1 2 216.281 -0.532 20 0 BBADLO COC[C@H](C[N@H+]1CC(=O)N[C@@H](C)C1)OC ZINC000660724255 409650529 /nfs/dbraw/zinc/65/05/29/409650529.db2.gz CCNMXQNRUWWZRO-IUCAKERBSA-N 1 2 216.281 -0.532 20 0 BBADLO COC[C@@H](C[N@@H+]1CC(=O)N[C@H](C)C1)OC ZINC000660724256 409651005 /nfs/dbraw/zinc/65/10/05/409651005.db2.gz CCNMXQNRUWWZRO-RKDXNWHRSA-N 1 2 216.281 -0.532 20 0 BBADLO COC[C@@H](C[N@H+]1CC(=O)N[C@H](C)C1)OC ZINC000660724256 409650992 /nfs/dbraw/zinc/65/09/92/409650992.db2.gz CCNMXQNRUWWZRO-RKDXNWHRSA-N 1 2 216.281 -0.532 20 0 BBADLO C[C@@H]1CN(Cc2cn(C)c[nH+]2)CC(=O)N1 ZINC000660726070 411619438 /nfs/dbraw/zinc/61/94/38/411619438.db2.gz SFUKJPSIQVKYJT-MRVPVSSYSA-N 1 2 208.265 -0.260 20 0 BBADLO C[C@H]1CN(Cc2cn(C)c[nH+]2)CC(=O)N1 ZINC000660726071 409657574 /nfs/dbraw/zinc/65/75/74/409657574.db2.gz SFUKJPSIQVKYJT-QMMMGPOBSA-N 1 2 208.265 -0.260 20 0 BBADLO CCS(=O)(=O)C1C[NH+](C[C@@H](C)CO)C1 ZINC000660730623 411619648 /nfs/dbraw/zinc/61/96/48/411619648.db2.gz MBECENYJXKVTKS-MRVPVSSYSA-N 1 2 221.322 -0.266 20 0 BBADLO CCS(=O)(=O)C1C[NH+](C[C@H](C)CO)C1 ZINC000660730624 411619492 /nfs/dbraw/zinc/61/94/92/411619492.db2.gz MBECENYJXKVTKS-QMMMGPOBSA-N 1 2 221.322 -0.266 20 0 BBADLO CO[C@@H]1C[N@@H+](Cc2cn(C)cn2)C[C@H]1O ZINC000660735502 411619887 /nfs/dbraw/zinc/61/98/87/411619887.db2.gz JBNQHURICGNUHE-NXEZZACHSA-N 1 2 211.265 -0.388 20 0 BBADLO CO[C@@H]1C[N@H+](Cc2cn(C)cn2)C[C@H]1O ZINC000660735502 411619886 /nfs/dbraw/zinc/61/98/86/411619886.db2.gz JBNQHURICGNUHE-NXEZZACHSA-N 1 2 211.265 -0.388 20 0 BBADLO C[C@@H]1[C@H](O)CC[N@H+]1CC(=O)Nc1cnccn1 ZINC000660735641 411619937 /nfs/dbraw/zinc/61/99/37/411619937.db2.gz DIVOLWPMTAVPHR-RKDXNWHRSA-N 1 2 236.275 -0.130 20 0 BBADLO C[C@@H]1[C@H](O)CC[N@@H+]1CC(=O)Nc1cnccn1 ZINC000660735641 411619936 /nfs/dbraw/zinc/61/99/36/411619936.db2.gz DIVOLWPMTAVPHR-RKDXNWHRSA-N 1 2 236.275 -0.130 20 0 BBADLO COc1cc(C[N@H+]2C[C@@H](O)[C@H](OC)C2)on1 ZINC000660736694 411619974 /nfs/dbraw/zinc/61/99/74/411619974.db2.gz RDTFVLJHSHJESC-RKDXNWHRSA-N 1 2 228.248 -0.125 20 0 BBADLO COc1cc(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)on1 ZINC000660736694 411619973 /nfs/dbraw/zinc/61/99/73/411619973.db2.gz RDTFVLJHSHJESC-RKDXNWHRSA-N 1 2 228.248 -0.125 20 0 BBADLO NC(=O)[C@H]1CCC[N@H+]1CCc1c[nH]nn1 ZINC000660741484 487596816 /nfs/dbraw/zinc/59/68/16/487596816.db2.gz SGFPSRIFNBMXSP-MRVPVSSYSA-N 1 2 209.253 -0.703 20 0 BBADLO NC(=O)[C@H]1CCC[N@@H+]1CCc1c[nH]nn1 ZINC000660741484 487596809 /nfs/dbraw/zinc/59/68/09/487596809.db2.gz SGFPSRIFNBMXSP-MRVPVSSYSA-N 1 2 209.253 -0.703 20 0 BBADLO Cn1c[nH+]c(CN2CCC[C@@H]2C(N)=O)c1 ZINC000660742397 411620348 /nfs/dbraw/zinc/62/03/48/411620348.db2.gz WLDVNWQMVRSSBX-SECBINFHSA-N 1 2 208.265 -0.130 20 0 BBADLO Cn1cnc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000660742397 411620347 /nfs/dbraw/zinc/62/03/47/411620347.db2.gz WLDVNWQMVRSSBX-SECBINFHSA-N 1 2 208.265 -0.130 20 0 BBADLO Cn1cnc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000660742397 411620346 /nfs/dbraw/zinc/62/03/46/411620346.db2.gz WLDVNWQMVRSSBX-SECBINFHSA-N 1 2 208.265 -0.130 20 0 BBADLO CCO[C@@H]1COC[C@H]1[NH2+][C@H]1CON(CC)C1=O ZINC000660753033 411620572 /nfs/dbraw/zinc/62/05/72/411620572.db2.gz WAQZQFZDPAVPTO-KXUCPTDWSA-N 1 2 244.291 -0.458 20 0 BBADLO CCO[C@@H]1COC[C@H]1[NH2+][C@@H]1CON(CC)C1=O ZINC000660753035 411620925 /nfs/dbraw/zinc/62/09/25/411620925.db2.gz WAQZQFZDPAVPTO-OPRDCNLKSA-N 1 2 244.291 -0.458 20 0 BBADLO NC(=O)C[C@@H]1COCC[N@H+]1Cc1cn[nH]c1 ZINC000660761851 409725446 /nfs/dbraw/zinc/72/54/46/409725446.db2.gz GIOZREXKQAHQJL-SECBINFHSA-N 1 2 224.264 -0.514 20 0 BBADLO NC(=O)C[C@@H]1COCC[N@@H+]1Cc1cn[nH]c1 ZINC000660761851 409725442 /nfs/dbraw/zinc/72/54/42/409725442.db2.gz GIOZREXKQAHQJL-SECBINFHSA-N 1 2 224.264 -0.514 20 0 BBADLO NC(=O)C[C@H]1COCC[N@H+]1Cc1cn[nH]c1 ZINC000660761854 409725743 /nfs/dbraw/zinc/72/57/43/409725743.db2.gz GIOZREXKQAHQJL-VIFPVBQESA-N 1 2 224.264 -0.514 20 0 BBADLO NC(=O)C[C@H]1COCC[N@@H+]1Cc1cn[nH]c1 ZINC000660761854 409725739 /nfs/dbraw/zinc/72/57/39/409725739.db2.gz GIOZREXKQAHQJL-VIFPVBQESA-N 1 2 224.264 -0.514 20 0 BBADLO O=C1CO[C@@H]2CC[N@@H+](Cc3cc[nH]n3)C[C@H]2N1 ZINC000660765280 411622968 /nfs/dbraw/zinc/62/29/68/411622968.db2.gz VRHOPUPHXSAPGM-NXEZZACHSA-N 1 2 236.275 -0.501 20 0 BBADLO O=C1CO[C@@H]2CC[N@H+](Cc3cc[nH]n3)C[C@H]2N1 ZINC000660765280 411622967 /nfs/dbraw/zinc/62/29/67/411622967.db2.gz VRHOPUPHXSAPGM-NXEZZACHSA-N 1 2 236.275 -0.501 20 0 BBADLO CCc1nnc([C@H](C)[N@H+]2C[C@H](O)[C@H](CO)C2)[nH]1 ZINC000660775939 411626054 /nfs/dbraw/zinc/62/60/54/411626054.db2.gz WPHUADBDPXVKJY-CIUDSAMLSA-N 1 2 240.307 -0.287 20 0 BBADLO CCc1nnc([C@H](C)[N@@H+]2C[C@H](O)[C@H](CO)C2)[nH]1 ZINC000660775939 411626053 /nfs/dbraw/zinc/62/60/53/411626053.db2.gz WPHUADBDPXVKJY-CIUDSAMLSA-N 1 2 240.307 -0.287 20 0 BBADLO CCc1nnc([C@H](C)[N@@H+]2C[C@H](CO)[C@H](O)C2)[nH]1 ZINC000660775940 411625287 /nfs/dbraw/zinc/62/52/87/411625287.db2.gz WPHUADBDPXVKJY-DJLDLDEBSA-N 1 2 240.307 -0.287 20 0 BBADLO CCc1nnc([C@H](C)[N@H+]2C[C@H](CO)[C@H](O)C2)[nH]1 ZINC000660775940 411625283 /nfs/dbraw/zinc/62/52/83/411625283.db2.gz WPHUADBDPXVKJY-DJLDLDEBSA-N 1 2 240.307 -0.287 20 0 BBADLO CCc1nnc([C@H](C)[N@H+]2C[C@@H](O)[C@H](CO)C2)[nH]1 ZINC000660775941 411625699 /nfs/dbraw/zinc/62/56/99/411625699.db2.gz WPHUADBDPXVKJY-XHNCKOQMSA-N 1 2 240.307 -0.287 20 0 BBADLO CCc1nnc([C@H](C)[N@@H+]2C[C@@H](O)[C@H](CO)C2)[nH]1 ZINC000660775941 411625696 /nfs/dbraw/zinc/62/56/96/411625696.db2.gz WPHUADBDPXVKJY-XHNCKOQMSA-N 1 2 240.307 -0.287 20 0 BBADLO CCc1nnc([C@H](C)[N@H+]2C[C@H](O)[C@@H](CO)C2)[nH]1 ZINC000660775942 411626348 /nfs/dbraw/zinc/62/63/48/411626348.db2.gz WPHUADBDPXVKJY-YIZRAAEISA-N 1 2 240.307 -0.287 20 0 BBADLO CCc1nnc([C@H](C)[N@@H+]2C[C@H](O)[C@@H](CO)C2)[nH]1 ZINC000660775942 411626347 /nfs/dbraw/zinc/62/63/47/411626347.db2.gz WPHUADBDPXVKJY-YIZRAAEISA-N 1 2 240.307 -0.287 20 0 BBADLO CC(C)=CCC[N@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000660776286 411621242 /nfs/dbraw/zinc/62/12/42/411621242.db2.gz BOUSWSFJDOMRJU-UHFFFAOYSA-N 1 2 239.319 -0.028 20 0 BBADLO CC(C)=CCC[N@@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000660776286 411621241 /nfs/dbraw/zinc/62/12/41/411621241.db2.gz BOUSWSFJDOMRJU-UHFFFAOYSA-N 1 2 239.319 -0.028 20 0 BBADLO OCCOCC[N@@H+](CCO)Cc1cc[nH]n1 ZINC000660777949 411626027 /nfs/dbraw/zinc/62/60/27/411626027.db2.gz AICQYUCAZDSUNR-UHFFFAOYSA-N 1 2 229.280 -0.787 20 0 BBADLO OCCOCC[N@H+](CCO)Cc1cc[nH]n1 ZINC000660777949 411626026 /nfs/dbraw/zinc/62/60/26/411626026.db2.gz AICQYUCAZDSUNR-UHFFFAOYSA-N 1 2 229.280 -0.787 20 0 BBADLO NC(=O)CN1CC[N@@H+](CCC2CCC2)CC1=O ZINC000660778213 411627113 /nfs/dbraw/zinc/62/71/13/411627113.db2.gz XFRXINUPZMFSMS-UHFFFAOYSA-N 1 2 239.319 -0.194 20 0 BBADLO NC(=O)CN1CC[N@H+](CCC2CCC2)CC1=O ZINC000660778213 411627110 /nfs/dbraw/zinc/62/71/10/411627110.db2.gz XFRXINUPZMFSMS-UHFFFAOYSA-N 1 2 239.319 -0.194 20 0 BBADLO CCN1OC[C@@H]([NH2+][C@@H]2COC[C@@H]2OC)C1=O ZINC000660780222 411629084 /nfs/dbraw/zinc/62/90/84/411629084.db2.gz NKACNFFIUIMHAV-HLTSFMKQSA-N 1 2 230.264 -0.848 20 0 BBADLO CCN1OC[C@H]([NH2+][C@@H]2COC[C@@H]2OC)C1=O ZINC000660780223 411628782 /nfs/dbraw/zinc/62/87/82/411628782.db2.gz NKACNFFIUIMHAV-VGMNWLOBSA-N 1 2 230.264 -0.848 20 0 BBADLO Cc1cc(C[N@@H+](CCO)CCOCCO)no1 ZINC000660780745 411628975 /nfs/dbraw/zinc/62/89/75/411628975.db2.gz PDINPLDHSDOGRK-UHFFFAOYSA-N 1 2 244.291 -0.214 20 0 BBADLO Cc1cc(C[N@H+](CCO)CCOCCO)no1 ZINC000660780745 411628972 /nfs/dbraw/zinc/62/89/72/411628972.db2.gz PDINPLDHSDOGRK-UHFFFAOYSA-N 1 2 244.291 -0.214 20 0 BBADLO CCN1CC[C@H]([N@H+]2CCO[C@H]([C@H](C)O)C2)C1=O ZINC000660813363 409783644 /nfs/dbraw/zinc/78/36/44/409783644.db2.gz UKFXKIFEUBQQPQ-DCAQKATOSA-N 1 2 242.319 -0.311 20 0 BBADLO CCN1CC[C@H]([N@@H+]2CCO[C@H]([C@H](C)O)C2)C1=O ZINC000660813363 409783642 /nfs/dbraw/zinc/78/36/42/409783642.db2.gz UKFXKIFEUBQQPQ-DCAQKATOSA-N 1 2 242.319 -0.311 20 0 BBADLO CCN1CC[C@H]([N@H+]2CCO[C@@H]([C@H](C)O)C2)C1=O ZINC000660813367 409783447 /nfs/dbraw/zinc/78/34/47/409783447.db2.gz UKFXKIFEUBQQPQ-GARJFASQSA-N 1 2 242.319 -0.311 20 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/nfs/dbraw/zinc/64/47/23/411644723.db2.gz VQDAUKXZDIVKTQ-SCZZXKLOSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@@H](O)[C@@H]1C[N@H+](CCc2c[nH]nn2)CCO1 ZINC000660813541 411644719 /nfs/dbraw/zinc/64/47/19/411644719.db2.gz VQDAUKXZDIVKTQ-SCZZXKLOSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@H](O)[C@H]1C[N@@H+](CCc2cn[nH]n2)CCO1 ZINC000660813542 411645063 /nfs/dbraw/zinc/64/50/63/411645063.db2.gz VQDAUKXZDIVKTQ-WCBMZHEXSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@H](O)[C@H]1C[N@H+](CCc2cn[nH]n2)CCO1 ZINC000660813542 411645061 /nfs/dbraw/zinc/64/50/61/411645061.db2.gz VQDAUKXZDIVKTQ-WCBMZHEXSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@H](O)[C@H]1C[N@@H+](CCc2c[nH]nn2)CCO1 ZINC000660813542 411645056 /nfs/dbraw/zinc/64/50/56/411645056.db2.gz VQDAUKXZDIVKTQ-WCBMZHEXSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@H](O)[C@H]1C[N@H+](CCc2c[nH]nn2)CCO1 ZINC000660813542 411645054 /nfs/dbraw/zinc/64/50/54/411645054.db2.gz VQDAUKXZDIVKTQ-WCBMZHEXSA-N 1 2 226.280 -0.571 20 0 BBADLO C[C@H](O)[C@@H]1C[N@@H+](CCc2cn[nH]n2)CCO1 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C[C@H](O)[C@@H]1C[N@@H+](CCOCCO)CCO1 ZINC000660813626 409783565 /nfs/dbraw/zinc/78/35/65/409783565.db2.gz XPJQNXXIJFMHIZ-UWVGGRQHSA-N 1 2 219.281 -0.923 20 0 BBADLO C[C@H](O)[C@@H]1C[N@H+](CCOCCO)CCO1 ZINC000660813626 409783563 /nfs/dbraw/zinc/78/35/63/409783563.db2.gz XPJQNXXIJFMHIZ-UWVGGRQHSA-N 1 2 219.281 -0.923 20 0 BBADLO C[C@H](O)[C@H]1C[N@@H+](CCOCCO)CCO1 ZINC000660813627 409783523 /nfs/dbraw/zinc/78/35/23/409783523.db2.gz XPJQNXXIJFMHIZ-VHSXEESVSA-N 1 2 219.281 -0.923 20 0 BBADLO C[C@H](O)[C@H]1C[N@H+](CCOCCO)CCO1 ZINC000660813627 409783520 /nfs/dbraw/zinc/78/35/20/409783520.db2.gz XPJQNXXIJFMHIZ-VHSXEESVSA-N 1 2 219.281 -0.923 20 0 BBADLO C[C@@H](O)[C@@H]1C[N@@H+](CCOCCO)CCO1 ZINC000660813628 409783609 /nfs/dbraw/zinc/78/36/09/409783609.db2.gz XPJQNXXIJFMHIZ-ZJUUUORDSA-N 1 2 219.281 -0.923 20 0 BBADLO C[C@@H](O)[C@@H]1C[N@H+](CCOCCO)CCO1 ZINC000660813628 409783605 /nfs/dbraw/zinc/78/36/05/409783605.db2.gz XPJQNXXIJFMHIZ-ZJUUUORDSA-N 1 2 219.281 -0.923 20 0 BBADLO 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ZINC000660904716 411667641 /nfs/dbraw/zinc/66/76/41/411667641.db2.gz TVBKPBDOLLVXQL-SECBINFHSA-N 1 2 229.280 -0.783 20 0 BBADLO CCN1OC[C@H]([N@@H+](C)CCNC(C)=O)C1=O ZINC000660904718 411666852 /nfs/dbraw/zinc/66/68/52/411666852.db2.gz TVBKPBDOLLVXQL-VIFPVBQESA-N 1 2 229.280 -0.783 20 0 BBADLO CCN1OC[C@H]([N@H+](C)CCNC(C)=O)C1=O ZINC000660904718 411666847 /nfs/dbraw/zinc/66/68/47/411666847.db2.gz TVBKPBDOLLVXQL-VIFPVBQESA-N 1 2 229.280 -0.783 20 0 BBADLO COC[C@@H]1C[C@@H](O)C[N@H+]1CCc1cnn[nH]1 ZINC000660915780 411670234 /nfs/dbraw/zinc/67/02/34/411670234.db2.gz YNNDXIGUZBXVNY-VHSXEESVSA-N 1 2 226.280 -0.571 20 0 BBADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1CCc1cnn[nH]1 ZINC000660915780 411670230 /nfs/dbraw/zinc/67/02/30/411670230.db2.gz YNNDXIGUZBXVNY-VHSXEESVSA-N 1 2 226.280 -0.571 20 0 BBADLO COC[C@H]1C[C@@H](O)C[N@H+]1CCc1cnn[nH]1 ZINC000660919372 411672420 /nfs/dbraw/zinc/67/24/20/411672420.db2.gz YNNDXIGUZBXVNY-NXEZZACHSA-N 1 2 226.280 -0.571 20 0 BBADLO COC[C@H]1C[C@@H](O)C[N@@H+]1CCc1cnn[nH]1 ZINC000660919372 411672415 /nfs/dbraw/zinc/67/24/15/411672415.db2.gz YNNDXIGUZBXVNY-NXEZZACHSA-N 1 2 226.280 -0.571 20 0 BBADLO CCN1OC[C@H]([N@H+]2CCC[C@@H](O)C2)C1=O ZINC000660922031 411675865 /nfs/dbraw/zinc/67/58/65/411675865.db2.gz KBBPKDAADYSQEV-BDAKNGLRSA-N 1 2 214.265 -0.395 20 0 BBADLO CCN1OC[C@H]([N@@H+]2CCC[C@@H](O)C2)C1=O ZINC000660922031 411675859 /nfs/dbraw/zinc/67/58/59/411675859.db2.gz KBBPKDAADYSQEV-BDAKNGLRSA-N 1 2 214.265 -0.395 20 0 BBADLO CCN1OC[C@@H]([N@H+]2CCC[C@@H](O)C2)C1=O ZINC000660922032 411675687 /nfs/dbraw/zinc/67/56/87/411675687.db2.gz KBBPKDAADYSQEV-RKDXNWHRSA-N 1 2 214.265 -0.395 20 0 BBADLO CCN1OC[C@@H]([N@@H+]2CCC[C@@H](O)C2)C1=O ZINC000660922032 411675681 /nfs/dbraw/zinc/67/56/81/411675681.db2.gz KBBPKDAADYSQEV-RKDXNWHRSA-N 1 2 214.265 -0.395 20 0 BBADLO COC[C@H](C[N@H+]1CCn2nncc2C1)OC ZINC000660923828 411674033 /nfs/dbraw/zinc/67/40/33/411674033.db2.gz RXFVCWSUMOYKRV-JTQLQIEISA-N 1 2 226.280 -0.245 20 0 BBADLO COC[C@H](C[N@@H+]1CCn2nncc2C1)OC ZINC000660923828 411674032 /nfs/dbraw/zinc/67/40/32/411674032.db2.gz RXFVCWSUMOYKRV-JTQLQIEISA-N 1 2 226.280 -0.245 20 0 BBADLO COC[C@@H](C[N@H+]1CCn2nncc2C1)OC ZINC000660923829 411675052 /nfs/dbraw/zinc/67/50/52/411675052.db2.gz RXFVCWSUMOYKRV-SNVBAGLBSA-N 1 2 226.280 -0.245 20 0 BBADLO COC[C@@H](C[N@@H+]1CCn2nncc2C1)OC ZINC000660923829 411675047 /nfs/dbraw/zinc/67/50/47/411675047.db2.gz RXFVCWSUMOYKRV-SNVBAGLBSA-N 1 2 226.280 -0.245 20 0 BBADLO CCc1nocc1C[NH2+][C@]1(C(N)=O)CCOC1 ZINC000660925394 411677529 /nfs/dbraw/zinc/67/75/29/411677529.db2.gz BXDBQQLVLAASTA-LLVKDONJSA-N 1 2 239.275 -0.029 20 0 BBADLO CCc1nocc1C[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000660925396 411677474 /nfs/dbraw/zinc/67/74/74/411677474.db2.gz BXDBQQLVLAASTA-NSHDSACASA-N 1 2 239.275 -0.029 20 0 BBADLO CN(CC(=O)N1CCNC1=O)Cc1c[nH]c[nH+]1 ZINC000661083793 411697216 /nfs/dbraw/zinc/69/72/16/411697216.db2.gz LKJIJLWKYVEPRB-UHFFFAOYSA-N 1 2 237.263 -0.607 20 0 BBADLO CN(CC(=O)N1CCNC1=O)Cc1c[nH+]c[nH]1 ZINC000661083793 411697214 /nfs/dbraw/zinc/69/72/14/411697214.db2.gz LKJIJLWKYVEPRB-UHFFFAOYSA-N 1 2 237.263 -0.607 20 0 BBADLO C[N@@H+](CCCS(N)(=O)=O)Cc1c[nH]cn1 ZINC000661086310 411696220 /nfs/dbraw/zinc/69/62/20/411696220.db2.gz XGNLLRQCQDUIDH-UHFFFAOYSA-N 1 2 232.309 -0.480 20 0 BBADLO C[N@H+](CCCS(N)(=O)=O)Cc1c[nH]cn1 ZINC000661086310 411696216 /nfs/dbraw/zinc/69/62/16/411696216.db2.gz XGNLLRQCQDUIDH-UHFFFAOYSA-N 1 2 232.309 -0.480 20 0 BBADLO C[N@@H+](CCCS(N)(=O)=O)Cc1cnc[nH]1 ZINC000661086310 411696215 /nfs/dbraw/zinc/69/62/15/411696215.db2.gz XGNLLRQCQDUIDH-UHFFFAOYSA-N 1 2 232.309 -0.480 20 0 BBADLO C[N@H+](CCCS(N)(=O)=O)Cc1cnc[nH]1 ZINC000661086310 411696211 /nfs/dbraw/zinc/69/62/11/411696211.db2.gz XGNLLRQCQDUIDH-UHFFFAOYSA-N 1 2 232.309 -0.480 20 0 BBADLO CCOCCNC(=O)CN(C)Cc1c[nH]c[nH+]1 ZINC000661086440 411697579 /nfs/dbraw/zinc/69/75/79/411697579.db2.gz YRDRXQRZDOUMJK-UHFFFAOYSA-N 1 2 240.307 -0.006 20 0 BBADLO CCOCCNC(=O)CN(C)Cc1c[nH+]c[nH]1 ZINC000661086440 411697576 /nfs/dbraw/zinc/69/75/76/411697576.db2.gz YRDRXQRZDOUMJK-UHFFFAOYSA-N 1 2 240.307 -0.006 20 0 BBADLO CNS(=O)(=O)CCC[N@@H+](C)Cc1c[nH]cn1 ZINC000661086466 411697657 /nfs/dbraw/zinc/69/76/57/411697657.db2.gz ZGRVCEZCJGWTLZ-UHFFFAOYSA-N 1 2 246.336 -0.219 20 0 BBADLO CNS(=O)(=O)CCC[N@H+](C)Cc1c[nH]cn1 ZINC000661086466 411697652 /nfs/dbraw/zinc/69/76/52/411697652.db2.gz ZGRVCEZCJGWTLZ-UHFFFAOYSA-N 1 2 246.336 -0.219 20 0 BBADLO CNS(=O)(=O)CCC[N@@H+](C)Cc1cnc[nH]1 ZINC000661086466 411697649 /nfs/dbraw/zinc/69/76/49/411697649.db2.gz ZGRVCEZCJGWTLZ-UHFFFAOYSA-N 1 2 246.336 -0.219 20 0 BBADLO CNS(=O)(=O)CCC[N@H+](C)Cc1cnc[nH]1 ZINC000661086466 411697642 /nfs/dbraw/zinc/69/76/42/411697642.db2.gz ZGRVCEZCJGWTLZ-UHFFFAOYSA-N 1 2 246.336 -0.219 20 0 BBADLO C[N@@H+](CCN1C(=O)CNC1=O)Cc1cnc[nH]1 ZINC000661086983 411698528 /nfs/dbraw/zinc/69/85/28/411698528.db2.gz KMDQZBYPRQTVIJ-UHFFFAOYSA-N 1 2 237.263 -0.607 20 0 BBADLO C[N@H+](CCN1C(=O)CNC1=O)Cc1cnc[nH]1 ZINC000661086983 411698526 /nfs/dbraw/zinc/69/85/26/411698526.db2.gz KMDQZBYPRQTVIJ-UHFFFAOYSA-N 1 2 237.263 -0.607 20 0 BBADLO C[N@@H+](CCN1C(=O)CCC1=O)Cc1cnc[nH]1 ZINC000661087340 411699042 /nfs/dbraw/zinc/69/90/42/411699042.db2.gz RYXCWOFQWYTLBT-UHFFFAOYSA-N 1 2 236.275 -0.010 20 0 BBADLO C[N@H+](CCN1C(=O)CCC1=O)Cc1cnc[nH]1 ZINC000661087340 411699035 /nfs/dbraw/zinc/69/90/35/411699035.db2.gz RYXCWOFQWYTLBT-UHFFFAOYSA-N 1 2 236.275 -0.010 20 0 BBADLO CCS(=O)(=O)NCCN(C)Cc1c[nH]c[nH+]1 ZINC000661087611 411691234 /nfs/dbraw/zinc/69/12/34/411691234.db2.gz UZGRJXPSTHFCSR-UHFFFAOYSA-N 1 2 246.336 -0.219 20 0 BBADLO CCS(=O)(=O)NCCN(C)Cc1c[nH+]c[nH]1 ZINC000661087611 411691231 /nfs/dbraw/zinc/69/12/31/411691231.db2.gz UZGRJXPSTHFCSR-UHFFFAOYSA-N 1 2 246.336 -0.219 20 0 BBADLO COCCOC[C@H](O)C[N@@H+](C)Cc1cnc[nH]1 ZINC000661089512 411699220 /nfs/dbraw/zinc/69/92/20/411699220.db2.gz BQMWVGYBBQTBOD-LLVKDONJSA-N 1 2 243.307 -0.135 20 0 BBADLO COCCOC[C@H](O)C[N@H+](C)Cc1cnc[nH]1 ZINC000661089512 411699216 /nfs/dbraw/zinc/69/92/16/411699216.db2.gz BQMWVGYBBQTBOD-LLVKDONJSA-N 1 2 243.307 -0.135 20 0 BBADLO COCCOC[C@@H](O)C[N@@H+](C)Cc1cnc[nH]1 ZINC000661089513 411698401 /nfs/dbraw/zinc/69/84/01/411698401.db2.gz BQMWVGYBBQTBOD-NSHDSACASA-N 1 2 243.307 -0.135 20 0 BBADLO COCCOC[C@@H](O)C[N@H+](C)Cc1cnc[nH]1 ZINC000661089513 411698399 /nfs/dbraw/zinc/69/83/99/411698399.db2.gz BQMWVGYBBQTBOD-NSHDSACASA-N 1 2 243.307 -0.135 20 0 BBADLO C[N@@H+](CCN1CCNC1=O)Cc1cnc[nH]1 ZINC000661090004 410160105 /nfs/dbraw/zinc/16/01/05/410160105.db2.gz KTMXIQQKPLTDEA-UHFFFAOYSA-N 1 2 223.280 -0.133 20 0 BBADLO C[N@H+](CCN1CCNC1=O)Cc1cnc[nH]1 ZINC000661090004 410160099 /nfs/dbraw/zinc/16/00/99/410160099.db2.gz KTMXIQQKPLTDEA-UHFFFAOYSA-N 1 2 223.280 -0.133 20 0 BBADLO CN(C)S(=O)(=O)CCN(C)Cc1c[nH]c[nH+]1 ZINC000661090083 411703875 /nfs/dbraw/zinc/70/38/75/411703875.db2.gz LNKNZKCCJDQJEE-UHFFFAOYSA-N 1 2 246.336 -0.267 20 0 BBADLO CN(C)S(=O)(=O)CCN(C)Cc1c[nH+]c[nH]1 ZINC000661090083 411703871 /nfs/dbraw/zinc/70/38/71/411703871.db2.gz LNKNZKCCJDQJEE-UHFFFAOYSA-N 1 2 246.336 -0.267 20 0 BBADLO CN(Cc1c[nH]c[nH+]1)Cc1nnn(C)n1 ZINC000661090481 411701820 /nfs/dbraw/zinc/70/18/20/411701820.db2.gz QDHDMDNXQFBISK-UHFFFAOYSA-N 1 2 207.241 -0.435 20 0 BBADLO CN(Cc1c[nH+]c[nH]1)Cc1nnn(C)n1 ZINC000661090481 411701817 /nfs/dbraw/zinc/70/18/17/411701817.db2.gz QDHDMDNXQFBISK-UHFFFAOYSA-N 1 2 207.241 -0.435 20 0 BBADLO Cn1nnc(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)n1 ZINC000661141260 411718194 /nfs/dbraw/zinc/71/81/94/411718194.db2.gz QRSUAHJJUAGBCZ-SECBINFHSA-N 1 2 248.294 -0.676 20 0 BBADLO Cn1nnc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)n1 ZINC000661141260 411718189 /nfs/dbraw/zinc/71/81/89/411718189.db2.gz QRSUAHJJUAGBCZ-SECBINFHSA-N 1 2 248.294 -0.676 20 0 BBADLO Cn1nnc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)n1 ZINC000661141261 411719538 /nfs/dbraw/zinc/71/95/38/411719538.db2.gz QRSUAHJJUAGBCZ-VIFPVBQESA-N 1 2 248.294 -0.676 20 0 BBADLO Cn1nnc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)n1 ZINC000661141261 411719534 /nfs/dbraw/zinc/71/95/34/411719534.db2.gz QRSUAHJJUAGBCZ-VIFPVBQESA-N 1 2 248.294 -0.676 20 0 BBADLO c1cn(C[C@@H]2CC[N@@H+](Cc3cn[nH]n3)C2)nn1 ZINC000661142754 411719149 /nfs/dbraw/zinc/71/91/49/411719149.db2.gz ZCFLOZWHYDEGDC-SECBINFHSA-N 1 2 233.279 -0.082 20 0 BBADLO c1cn(C[C@@H]2CC[N@H+](Cc3cn[nH]n3)C2)nn1 ZINC000661142754 411719139 /nfs/dbraw/zinc/71/91/39/411719139.db2.gz ZCFLOZWHYDEGDC-SECBINFHSA-N 1 2 233.279 -0.082 20 0 BBADLO c1cn(C[C@@H]2CC[N@@H+](Cc3c[nH]nn3)C2)nn1 ZINC000661142754 411719136 /nfs/dbraw/zinc/71/91/36/411719136.db2.gz ZCFLOZWHYDEGDC-SECBINFHSA-N 1 2 233.279 -0.082 20 0 BBADLO c1cn(C[C@@H]2CC[N@H+](Cc3c[nH]nn3)C2)nn1 ZINC000661142754 411719133 /nfs/dbraw/zinc/71/91/33/411719133.db2.gz ZCFLOZWHYDEGDC-SECBINFHSA-N 1 2 233.279 -0.082 20 0 BBADLO c1cn(C[C@@H]2CC[N@@H+](Cc3cnn[nH]3)C2)nn1 ZINC000661142754 411719130 /nfs/dbraw/zinc/71/91/30/411719130.db2.gz ZCFLOZWHYDEGDC-SECBINFHSA-N 1 2 233.279 -0.082 20 0 BBADLO c1cn(C[C@@H]2CC[N@H+](Cc3cnn[nH]3)C2)nn1 ZINC000661142754 411719126 /nfs/dbraw/zinc/71/91/26/411719126.db2.gz ZCFLOZWHYDEGDC-SECBINFHSA-N 1 2 233.279 -0.082 20 0 BBADLO c1cn(C[C@H]2CC[N@@H+](Cc3cn[nH]n3)C2)nn1 ZINC000661142755 411719025 /nfs/dbraw/zinc/71/90/25/411719025.db2.gz ZCFLOZWHYDEGDC-VIFPVBQESA-N 1 2 233.279 -0.082 20 0 BBADLO c1cn(C[C@H]2CC[N@H+](Cc3cn[nH]n3)C2)nn1 ZINC000661142755 411719021 /nfs/dbraw/zinc/71/90/21/411719021.db2.gz ZCFLOZWHYDEGDC-VIFPVBQESA-N 1 2 233.279 -0.082 20 0 BBADLO c1cn(C[C@H]2CC[N@@H+](Cc3c[nH]nn3)C2)nn1 ZINC000661142755 411719020 /nfs/dbraw/zinc/71/90/20/411719020.db2.gz ZCFLOZWHYDEGDC-VIFPVBQESA-N 1 2 233.279 -0.082 20 0 BBADLO c1cn(C[C@H]2CC[N@H+](Cc3c[nH]nn3)C2)nn1 ZINC000661142755 411719016 /nfs/dbraw/zinc/71/90/16/411719016.db2.gz ZCFLOZWHYDEGDC-VIFPVBQESA-N 1 2 233.279 -0.082 20 0 BBADLO c1cn(C[C@H]2CC[N@@H+](Cc3cnn[nH]3)C2)nn1 ZINC000661142755 411719014 /nfs/dbraw/zinc/71/90/14/411719014.db2.gz ZCFLOZWHYDEGDC-VIFPVBQESA-N 1 2 233.279 -0.082 20 0 BBADLO c1cn(C[C@H]2CC[N@H+](Cc3cnn[nH]3)C2)nn1 ZINC000661142755 411719011 /nfs/dbraw/zinc/71/90/11/411719011.db2.gz ZCFLOZWHYDEGDC-VIFPVBQESA-N 1 2 233.279 -0.082 20 0 BBADLO O=c1[nH]nc(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)[nH]1 ZINC000661144726 411719460 /nfs/dbraw/zinc/71/94/60/411719460.db2.gz DTIBFKOIUHNGBA-MRVPVSSYSA-N 1 2 249.278 -0.376 20 0 BBADLO O=c1[nH]nc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)[nH]1 ZINC000661144726 411719459 /nfs/dbraw/zinc/71/94/59/411719459.db2.gz DTIBFKOIUHNGBA-MRVPVSSYSA-N 1 2 249.278 -0.376 20 0 BBADLO O=c1[nH]nc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)[nH]1 ZINC000661144727 411719094 /nfs/dbraw/zinc/71/90/94/411719094.db2.gz DTIBFKOIUHNGBA-QMMMGPOBSA-N 1 2 249.278 -0.376 20 0 BBADLO O=c1[nH]nc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)[nH]1 ZINC000661144727 411719091 /nfs/dbraw/zinc/71/90/91/411719091.db2.gz DTIBFKOIUHNGBA-QMMMGPOBSA-N 1 2 249.278 -0.376 20 0 BBADLO Cn1nnnc1C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661146326 411718093 /nfs/dbraw/zinc/71/80/93/411718093.db2.gz ZDHFUNRBFGVRTL-SECBINFHSA-N 1 2 248.294 -0.676 20 0 BBADLO Cn1nnnc1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661146326 411718090 /nfs/dbraw/zinc/71/80/90/411718090.db2.gz ZDHFUNRBFGVRTL-SECBINFHSA-N 1 2 248.294 -0.676 20 0 BBADLO Cn1nnnc1C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661146327 411718049 /nfs/dbraw/zinc/71/80/49/411718049.db2.gz ZDHFUNRBFGVRTL-VIFPVBQESA-N 1 2 248.294 -0.676 20 0 BBADLO Cn1nnnc1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661146327 411718044 /nfs/dbraw/zinc/71/80/44/411718044.db2.gz ZDHFUNRBFGVRTL-VIFPVBQESA-N 1 2 248.294 -0.676 20 0 BBADLO O=c1[nH]nc(C[NH2+][C@H](CO)C2CCC2)[nH]1 ZINC000661151842 411721105 /nfs/dbraw/zinc/72/11/05/411721105.db2.gz PPXRDLPQNIEHEZ-SSDOTTSWSA-N 1 2 212.253 -0.239 20 0 BBADLO O=c1[nH]nc(C[NH2+][C@@H](CO)C2CCC2)[nH]1 ZINC000661151843 411720944 /nfs/dbraw/zinc/72/09/44/411720944.db2.gz PPXRDLPQNIEHEZ-ZETCQYMHSA-N 1 2 212.253 -0.239 20 0 BBADLO CO[C@@]1(CO)CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000661390184 411766509 /nfs/dbraw/zinc/76/65/09/411766509.db2.gz SSMQVMJFYLBGHQ-JTQLQIEISA-N 1 2 226.280 -0.222 20 0 BBADLO CO[C@@]1(CO)CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000661390184 411766505 /nfs/dbraw/zinc/76/65/05/411766505.db2.gz SSMQVMJFYLBGHQ-JTQLQIEISA-N 1 2 226.280 -0.222 20 0 BBADLO CO[C@@]1(CO)CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000661390184 411766501 /nfs/dbraw/zinc/76/65/01/411766501.db2.gz SSMQVMJFYLBGHQ-JTQLQIEISA-N 1 2 226.280 -0.222 20 0 BBADLO CO[C@@]1(CO)CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000661390184 411766497 /nfs/dbraw/zinc/76/64/97/411766497.db2.gz SSMQVMJFYLBGHQ-JTQLQIEISA-N 1 2 226.280 -0.222 20 0 BBADLO CO[C@]1(CO)CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000661390185 411765894 /nfs/dbraw/zinc/76/58/94/411765894.db2.gz SSMQVMJFYLBGHQ-SNVBAGLBSA-N 1 2 226.280 -0.222 20 0 BBADLO CO[C@]1(CO)CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000661390185 411765891 /nfs/dbraw/zinc/76/58/91/411765891.db2.gz SSMQVMJFYLBGHQ-SNVBAGLBSA-N 1 2 226.280 -0.222 20 0 BBADLO CO[C@]1(CO)CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000661390185 411765887 /nfs/dbraw/zinc/76/58/87/411765887.db2.gz SSMQVMJFYLBGHQ-SNVBAGLBSA-N 1 2 226.280 -0.222 20 0 BBADLO CO[C@]1(CO)CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000661390185 411765884 /nfs/dbraw/zinc/76/58/84/411765884.db2.gz SSMQVMJFYLBGHQ-SNVBAGLBSA-N 1 2 226.280 -0.222 20 0 BBADLO CO[C@@]1(CO)CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000661392928 410609756 /nfs/dbraw/zinc/60/97/56/410609756.db2.gz JBWMIXABVKIAJE-JTQLQIEISA-N 1 2 242.279 -0.516 20 0 BBADLO CO[C@@]1(CO)CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000661392928 410609749 /nfs/dbraw/zinc/60/97/49/410609749.db2.gz JBWMIXABVKIAJE-JTQLQIEISA-N 1 2 242.279 -0.516 20 0 BBADLO CO[C@]1(CO)CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000661392929 410608681 /nfs/dbraw/zinc/60/86/81/410608681.db2.gz JBWMIXABVKIAJE-SNVBAGLBSA-N 1 2 242.279 -0.516 20 0 BBADLO CO[C@]1(CO)CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000661392929 410608675 /nfs/dbraw/zinc/60/86/75/410608675.db2.gz JBWMIXABVKIAJE-SNVBAGLBSA-N 1 2 242.279 -0.516 20 0 BBADLO CO[C@@]1(CO)CCC[N@@H+](Cc2nnnn2C)C1 ZINC000661393895 411767703 /nfs/dbraw/zinc/76/77/03/411767703.db2.gz QMTLQYVLHDHDKX-JTQLQIEISA-N 1 2 241.295 -0.817 20 0 BBADLO CO[C@@]1(CO)CCC[N@H+](Cc2nnnn2C)C1 ZINC000661393895 411767701 /nfs/dbraw/zinc/76/77/01/411767701.db2.gz QMTLQYVLHDHDKX-JTQLQIEISA-N 1 2 241.295 -0.817 20 0 BBADLO CO[C@]1(CO)CCC[N@@H+](Cc2nnnn2C)C1 ZINC000661393896 411754113 /nfs/dbraw/zinc/75/41/13/411754113.db2.gz QMTLQYVLHDHDKX-SNVBAGLBSA-N 1 2 241.295 -0.817 20 0 BBADLO CO[C@]1(CO)CCC[N@H+](Cc2nnnn2C)C1 ZINC000661393896 411754109 /nfs/dbraw/zinc/75/41/09/411754109.db2.gz QMTLQYVLHDHDKX-SNVBAGLBSA-N 1 2 241.295 -0.817 20 0 BBADLO C[C@@H]1C[NH+](CCCS(N)(=O)=O)C[C@@H](C)C1=O ZINC000661549802 411801312 /nfs/dbraw/zinc/80/13/12/411801312.db2.gz TWGXGOKCBUBCFA-RKDXNWHRSA-N 1 2 248.348 -0.178 20 0 BBADLO OC[C@@H]1COCC[N@H+]1C[C@@H]1COCCO1 ZINC000661560306 410824118 /nfs/dbraw/zinc/82/41/18/410824118.db2.gz BQJAPBFJVYYFBL-NXEZZACHSA-N 1 2 217.265 -0.905 20 0 BBADLO OC[C@@H]1COCC[N@@H+]1C[C@@H]1COCCO1 ZINC000661560306 410824115 /nfs/dbraw/zinc/82/41/15/410824115.db2.gz BQJAPBFJVYYFBL-NXEZZACHSA-N 1 2 217.265 -0.905 20 0 BBADLO OC[C@@H]1COCC[N@H+]1C[C@H]1COCCO1 ZINC000661560309 410824304 /nfs/dbraw/zinc/82/43/04/410824304.db2.gz BQJAPBFJVYYFBL-ZJUUUORDSA-N 1 2 217.265 -0.905 20 0 BBADLO OC[C@@H]1COCC[N@@H+]1C[C@H]1COCCO1 ZINC000661560309 410824298 /nfs/dbraw/zinc/82/42/98/410824298.db2.gz BQJAPBFJVYYFBL-ZJUUUORDSA-N 1 2 217.265 -0.905 20 0 BBADLO OC[C@@H]1COCC[N@H+]1CCOCC(F)F ZINC000661562302 411803493 /nfs/dbraw/zinc/80/34/93/411803493.db2.gz PEAMCZGXCYJSLJ-MRVPVSSYSA-N 1 2 225.235 -0.039 20 0 BBADLO OC[C@@H]1COCC[N@@H+]1CCOCC(F)F ZINC000661562302 411803487 /nfs/dbraw/zinc/80/34/87/411803487.db2.gz PEAMCZGXCYJSLJ-MRVPVSSYSA-N 1 2 225.235 -0.039 20 0 BBADLO O=C1CCCN1CC[N@@H+]1CCOC[C@H]1CO ZINC000661563068 411802941 /nfs/dbraw/zinc/80/29/41/411802941.db2.gz GYZGYFRRXQSKOA-SNVBAGLBSA-N 1 2 228.292 -0.698 20 0 BBADLO O=C1CCCN1CC[N@H+]1CCOC[C@H]1CO ZINC000661563068 411802938 /nfs/dbraw/zinc/80/29/38/411802938.db2.gz GYZGYFRRXQSKOA-SNVBAGLBSA-N 1 2 228.292 -0.698 20 0 BBADLO OC[C@@H]1COCC[N@H+]1CCOC[C@@H]1CCCO1 ZINC000661563940 411803254 /nfs/dbraw/zinc/80/32/54/411803254.db2.gz BZHMZERKPRDZCQ-NEPJUHHUSA-N 1 2 245.319 -0.125 20 0 BBADLO OC[C@@H]1COCC[N@@H+]1CCOC[C@@H]1CCCO1 ZINC000661563940 411803251 /nfs/dbraw/zinc/80/32/51/411803251.db2.gz BZHMZERKPRDZCQ-NEPJUHHUSA-N 1 2 245.319 -0.125 20 0 BBADLO OC[C@@H]1COCC[N@H+]1CCOC[C@H]1CCCO1 ZINC000661563943 411802766 /nfs/dbraw/zinc/80/27/66/411802766.db2.gz BZHMZERKPRDZCQ-VXGBXAGGSA-N 1 2 245.319 -0.125 20 0 BBADLO OC[C@@H]1COCC[N@@H+]1CCOC[C@H]1CCCO1 ZINC000661563943 411802763 /nfs/dbraw/zinc/80/27/63/411802763.db2.gz BZHMZERKPRDZCQ-VXGBXAGGSA-N 1 2 245.319 -0.125 20 0 BBADLO Cn1ccc(C[N@H+]2CCOC[C@H]2CO)cc1=O ZINC000661565233 411804915 /nfs/dbraw/zinc/80/49/15/411804915.db2.gz TXPJCBYMSGICJU-LLVKDONJSA-N 1 2 238.287 -0.422 20 0 BBADLO Cn1ccc(C[N@@H+]2CCOC[C@H]2CO)cc1=O ZINC000661565233 411804914 /nfs/dbraw/zinc/80/49/14/411804914.db2.gz TXPJCBYMSGICJU-LLVKDONJSA-N 1 2 238.287 -0.422 20 0 BBADLO O=C1CCCN1CCC[N@@H+]1CCOC[C@H]1CO ZINC000661566077 411804510 /nfs/dbraw/zinc/80/45/10/411804510.db2.gz ZJWJBCLIZGRLCE-LLVKDONJSA-N 1 2 242.319 -0.308 20 0 BBADLO O=C1CCCN1CCC[N@H+]1CCOC[C@H]1CO ZINC000661566077 411804507 /nfs/dbraw/zinc/80/45/07/411804507.db2.gz ZJWJBCLIZGRLCE-LLVKDONJSA-N 1 2 242.319 -0.308 20 0 BBADLO c1[nH]nnc1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661578550 411807137 /nfs/dbraw/zinc/80/71/37/411807137.db2.gz PAMFMDLALBYTHW-LLVKDONJSA-N 1 2 237.307 -0.289 20 0 BBADLO c1n[nH]nc1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661578550 411807130 /nfs/dbraw/zinc/80/71/30/411807130.db2.gz PAMFMDLALBYTHW-LLVKDONJSA-N 1 2 237.307 -0.289 20 0 BBADLO c1[nH]nnc1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661578551 411808260 /nfs/dbraw/zinc/80/82/60/411808260.db2.gz PAMFMDLALBYTHW-NSHDSACASA-N 1 2 237.307 -0.289 20 0 BBADLO c1n[nH]nc1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661578551 411808256 /nfs/dbraw/zinc/80/82/56/411808256.db2.gz PAMFMDLALBYTHW-NSHDSACASA-N 1 2 237.307 -0.289 20 0 BBADLO C[C@H](c1nnnn1C)[N@@H+](C)C[C@H]1COCCO1 ZINC000661611984 411054556 /nfs/dbraw/zinc/05/45/56/411054556.db2.gz NMKAPBCTUYGUJA-BDAKNGLRSA-N 1 2 241.295 -0.382 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+](C)C[C@H]1COCCO1 ZINC000661611984 411054553 /nfs/dbraw/zinc/05/45/53/411054553.db2.gz NMKAPBCTUYGUJA-BDAKNGLRSA-N 1 2 241.295 -0.382 20 0 BBADLO C[C@@H](c1nnnn1C)[N@@H+](C)C[C@@H]1COCCO1 ZINC000661611985 411054480 /nfs/dbraw/zinc/05/44/80/411054480.db2.gz NMKAPBCTUYGUJA-DTWKUNHWSA-N 1 2 241.295 -0.382 20 0 BBADLO C[C@@H](c1nnnn1C)[N@H+](C)C[C@@H]1COCCO1 ZINC000661611985 411054474 /nfs/dbraw/zinc/05/44/74/411054474.db2.gz NMKAPBCTUYGUJA-DTWKUNHWSA-N 1 2 241.295 -0.382 20 0 BBADLO C[C@@H](c1nnnn1C)[N@@H+](C)C[C@H]1COCCO1 ZINC000661611986 411053819 /nfs/dbraw/zinc/05/38/19/411053819.db2.gz NMKAPBCTUYGUJA-IUCAKERBSA-N 1 2 241.295 -0.382 20 0 BBADLO C[C@@H](c1nnnn1C)[N@H+](C)C[C@H]1COCCO1 ZINC000661611986 411053816 /nfs/dbraw/zinc/05/38/16/411053816.db2.gz NMKAPBCTUYGUJA-IUCAKERBSA-N 1 2 241.295 -0.382 20 0 BBADLO C[C@H](c1nnnn1C)[N@@H+](C)C[C@@H]1COCCO1 ZINC000661611987 411054108 /nfs/dbraw/zinc/05/41/08/411054108.db2.gz NMKAPBCTUYGUJA-RKDXNWHRSA-N 1 2 241.295 -0.382 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+](C)C[C@@H]1COCCO1 ZINC000661611987 411054105 /nfs/dbraw/zinc/05/41/05/411054105.db2.gz NMKAPBCTUYGUJA-RKDXNWHRSA-N 1 2 241.295 -0.382 20 0 BBADLO CCN1OC[C@@H]([N@@H+](C)C[C@@H]2COCCO2)C1=O ZINC000661612317 411816133 /nfs/dbraw/zinc/81/61/33/411816133.db2.gz QRYSILWDARHFFE-NXEZZACHSA-N 1 2 244.291 -0.504 20 0 BBADLO CCN1OC[C@@H]([N@H+](C)C[C@@H]2COCCO2)C1=O ZINC000661612317 411816132 /nfs/dbraw/zinc/81/61/32/411816132.db2.gz QRYSILWDARHFFE-NXEZZACHSA-N 1 2 244.291 -0.504 20 0 BBADLO CCN1OC[C@H]([N@@H+](C)C[C@H]2COCCO2)C1=O ZINC000661612318 411816223 /nfs/dbraw/zinc/81/62/23/411816223.db2.gz QRYSILWDARHFFE-UWVGGRQHSA-N 1 2 244.291 -0.504 20 0 BBADLO CCN1OC[C@H]([N@H+](C)C[C@H]2COCCO2)C1=O ZINC000661612318 411816220 /nfs/dbraw/zinc/81/62/20/411816220.db2.gz QRYSILWDARHFFE-UWVGGRQHSA-N 1 2 244.291 -0.504 20 0 BBADLO CCN1OC[C@@H]([N@@H+](C)C[C@H]2COCCO2)C1=O ZINC000661612319 411810825 /nfs/dbraw/zinc/81/08/25/411810825.db2.gz QRYSILWDARHFFE-VHSXEESVSA-N 1 2 244.291 -0.504 20 0 BBADLO CCN1OC[C@@H]([N@H+](C)C[C@H]2COCCO2)C1=O ZINC000661612319 411810822 /nfs/dbraw/zinc/81/08/22/411810822.db2.gz QRYSILWDARHFFE-VHSXEESVSA-N 1 2 244.291 -0.504 20 0 BBADLO CCN1OC[C@H]([N@@H+](C)C[C@@H]2COCCO2)C1=O ZINC000661612320 411810801 /nfs/dbraw/zinc/81/08/01/411810801.db2.gz QRYSILWDARHFFE-ZJUUUORDSA-N 1 2 244.291 -0.504 20 0 BBADLO CCN1OC[C@H]([N@H+](C)C[C@@H]2COCCO2)C1=O ZINC000661612320 411810799 /nfs/dbraw/zinc/81/07/99/411810799.db2.gz QRYSILWDARHFFE-ZJUUUORDSA-N 1 2 244.291 -0.504 20 0 BBADLO C[N@H+](Cc1nccc(N)n1)C[C@@H]1COCCO1 ZINC000661612838 411816861 /nfs/dbraw/zinc/81/68/61/411816861.db2.gz ONSLVIZUXAVXSG-SECBINFHSA-N 1 2 238.291 -0.094 20 0 BBADLO C[N@@H+](Cc1nccc(N)n1)C[C@@H]1COCCO1 ZINC000661612838 411816857 /nfs/dbraw/zinc/81/68/57/411816857.db2.gz ONSLVIZUXAVXSG-SECBINFHSA-N 1 2 238.291 -0.094 20 0 BBADLO C[N@H+](Cc1nccc(N)n1)C[C@H]1COCCO1 ZINC000661612839 411817038 /nfs/dbraw/zinc/81/70/38/411817038.db2.gz ONSLVIZUXAVXSG-VIFPVBQESA-N 1 2 238.291 -0.094 20 0 BBADLO C[N@@H+](Cc1nccc(N)n1)C[C@H]1COCCO1 ZINC000661612839 411817035 /nfs/dbraw/zinc/81/70/35/411817035.db2.gz ONSLVIZUXAVXSG-VIFPVBQESA-N 1 2 238.291 -0.094 20 0 BBADLO Cn1nncc1C[N@@H+](C)C[C@H]1COCCO1 ZINC000661612869 411816720 /nfs/dbraw/zinc/81/67/20/411816720.db2.gz DFSPRMKEUWRHHD-JTQLQIEISA-N 1 2 226.280 -0.338 20 0 BBADLO Cn1nncc1C[N@H+](C)C[C@H]1COCCO1 ZINC000661612869 411816716 /nfs/dbraw/zinc/81/67/16/411816716.db2.gz DFSPRMKEUWRHHD-JTQLQIEISA-N 1 2 226.280 -0.338 20 0 BBADLO Cn1nncc1C[N@@H+](C)C[C@@H]1COCCO1 ZINC000661612870 411817122 /nfs/dbraw/zinc/81/71/22/411817122.db2.gz DFSPRMKEUWRHHD-SNVBAGLBSA-N 1 2 226.280 -0.338 20 0 BBADLO Cn1nncc1C[N@H+](C)C[C@@H]1COCCO1 ZINC000661612870 411817118 /nfs/dbraw/zinc/81/71/18/411817118.db2.gz DFSPRMKEUWRHHD-SNVBAGLBSA-N 1 2 226.280 -0.338 20 0 BBADLO Cc1nnc(C[N@@H+](C)C[C@@H]2COCCO2)[nH]1 ZINC000661614842 411817650 /nfs/dbraw/zinc/81/76/50/411817650.db2.gz SXDGGICOAIXKMG-SECBINFHSA-N 1 2 226.280 -0.040 20 0 BBADLO Cc1nnc(C[N@H+](C)C[C@@H]2COCCO2)[nH]1 ZINC000661614842 411817647 /nfs/dbraw/zinc/81/76/47/411817647.db2.gz SXDGGICOAIXKMG-SECBINFHSA-N 1 2 226.280 -0.040 20 0 BBADLO Cc1nnc(C[N@@H+](C)C[C@H]2COCCO2)[nH]1 ZINC000661614843 411817639 /nfs/dbraw/zinc/81/76/39/411817639.db2.gz SXDGGICOAIXKMG-VIFPVBQESA-N 1 2 226.280 -0.040 20 0 BBADLO Cc1nnc(C[N@H+](C)C[C@H]2COCCO2)[nH]1 ZINC000661614843 411817636 /nfs/dbraw/zinc/81/76/36/411817636.db2.gz SXDGGICOAIXKMG-VIFPVBQESA-N 1 2 226.280 -0.040 20 0 BBADLO C[C@H]1C[NH+](Cc2n[nH]c(=O)[nH]2)C[C@H](C)C1O ZINC000661620987 411820526 /nfs/dbraw/zinc/82/05/26/411820526.db2.gz BZLUSJLKHNAJPT-BQBZGAKWSA-N 1 2 226.280 -0.041 20 0 BBADLO C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)C[C@H](C)[C@H]1O ZINC000661620988 411820973 /nfs/dbraw/zinc/82/09/73/411820973.db2.gz BZLUSJLKHNAJPT-QMSLJYSESA-N 1 2 226.280 -0.041 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)C[C@H](C)[C@H]1O ZINC000661620988 411820971 /nfs/dbraw/zinc/82/09/71/411820971.db2.gz BZLUSJLKHNAJPT-QMSLJYSESA-N 1 2 226.280 -0.041 20 0 BBADLO C[C@@H]1C[NH+](Cc2n[nH]c(=O)[nH]2)C[C@@H](C)C1O ZINC000661620989 411820037 /nfs/dbraw/zinc/82/00/37/411820037.db2.gz BZLUSJLKHNAJPT-RNFRBKRXSA-N 1 2 226.280 -0.041 20 0 BBADLO C[C@@H]1C[NH+](Cc2nnn(C)n2)C[C@@H](C)C1O ZINC000661624629 411083084 /nfs/dbraw/zinc/08/30/84/411083084.db2.gz KLAUPUGREFIBAD-HTQZYQBOSA-N 1 2 225.296 -0.341 20 0 BBADLO C[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H](C)[C@H]1O ZINC000661624632 411083432 /nfs/dbraw/zinc/08/34/32/411083432.db2.gz KLAUPUGREFIBAD-MBTKJCJQSA-N 1 2 225.296 -0.341 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H](C)[C@H]1O ZINC000661624632 411083428 /nfs/dbraw/zinc/08/34/28/411083428.db2.gz KLAUPUGREFIBAD-MBTKJCJQSA-N 1 2 225.296 -0.341 20 0 BBADLO C[C@H]1C[NH+](Cc2nnn(C)n2)C[C@H](C)C1O ZINC000661624639 411083896 /nfs/dbraw/zinc/08/38/96/411083896.db2.gz KLAUPUGREFIBAD-YUMQZZPRSA-N 1 2 225.296 -0.341 20 0 BBADLO C[C@@H]1C[NH+](Cc2nnnn2C)C[C@@H](C)C1O ZINC000661627678 411823899 /nfs/dbraw/zinc/82/38/99/411823899.db2.gz BKTZZLVIAAFZTK-HTQZYQBOSA-N 1 2 225.296 -0.341 20 0 BBADLO C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H](C)[C@H]1O ZINC000661627679 411823994 /nfs/dbraw/zinc/82/39/94/411823994.db2.gz BKTZZLVIAAFZTK-MBTKJCJQSA-N 1 2 225.296 -0.341 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H](C)[C@H]1O ZINC000661627679 411823991 /nfs/dbraw/zinc/82/39/91/411823991.db2.gz BKTZZLVIAAFZTK-MBTKJCJQSA-N 1 2 225.296 -0.341 20 0 BBADLO C[C@H]1C[NH+](Cc2nnnn2C)C[C@H](C)C1O ZINC000661627680 411823925 /nfs/dbraw/zinc/82/39/25/411823925.db2.gz BKTZZLVIAAFZTK-YUMQZZPRSA-N 1 2 225.296 -0.341 20 0 BBADLO Cn1nnnc1C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661631276 411825935 /nfs/dbraw/zinc/82/59/35/411825935.db2.gz FUGRYQAQKAFHSJ-LLVKDONJSA-N 1 2 237.307 -0.053 20 0 BBADLO Cn1nnnc1C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661631276 411825932 /nfs/dbraw/zinc/82/59/32/411825932.db2.gz FUGRYQAQKAFHSJ-LLVKDONJSA-N 1 2 237.307 -0.053 20 0 BBADLO Cn1nnnc1C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661631279 411825374 /nfs/dbraw/zinc/82/53/74/411825374.db2.gz FUGRYQAQKAFHSJ-NSHDSACASA-N 1 2 237.307 -0.053 20 0 BBADLO Cn1nnnc1C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661631279 411825369 /nfs/dbraw/zinc/82/53/69/411825369.db2.gz FUGRYQAQKAFHSJ-NSHDSACASA-N 1 2 237.307 -0.053 20 0 BBADLO Cn1nnc(C[N@H+]2CCC[C@](O)(C3CC3)C2)n1 ZINC000661632765 411826237 /nfs/dbraw/zinc/82/62/37/411826237.db2.gz SKLQJVYTSPPJDP-LLVKDONJSA-N 1 2 237.307 -0.053 20 0 BBADLO Cn1nnc(C[N@@H+]2CCC[C@](O)(C3CC3)C2)n1 ZINC000661632765 411826235 /nfs/dbraw/zinc/82/62/35/411826235.db2.gz SKLQJVYTSPPJDP-LLVKDONJSA-N 1 2 237.307 -0.053 20 0 BBADLO Cn1nnc(C[N@H+]2CCC[C@@](O)(C3CC3)C2)n1 ZINC000661632766 411826800 /nfs/dbraw/zinc/82/68/00/411826800.db2.gz SKLQJVYTSPPJDP-NSHDSACASA-N 1 2 237.307 -0.053 20 0 BBADLO Cn1nnc(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)n1 ZINC000661632766 411826794 /nfs/dbraw/zinc/82/67/94/411826794.db2.gz SKLQJVYTSPPJDP-NSHDSACASA-N 1 2 237.307 -0.053 20 0 BBADLO C[C@@H]1C[N@@H+](CCCO)CCN1S(C)(=O)=O ZINC000661684699 411836405 /nfs/dbraw/zinc/83/64/05/411836405.db2.gz CKGGACCHTMOGBJ-SECBINFHSA-N 1 2 236.337 -0.666 20 0 BBADLO C[C@@H]1C[N@H+](CCCO)CCN1S(C)(=O)=O ZINC000661684699 411836403 /nfs/dbraw/zinc/83/64/03/411836403.db2.gz CKGGACCHTMOGBJ-SECBINFHSA-N 1 2 236.337 -0.666 20 0 BBADLO C[C@@]12COC[C@H]1C[N@@H+](Cc1n[nH]c(=O)[nH]1)C2 ZINC000661697287 411182769 /nfs/dbraw/zinc/18/27/69/411182769.db2.gz AFYVOTLGUNKCFX-GMSGAONNSA-N 1 2 224.264 -0.021 20 0 BBADLO C[C@@]12COC[C@H]1C[N@H+](Cc1n[nH]c(=O)[nH]1)C2 ZINC000661697287 411182767 /nfs/dbraw/zinc/18/27/67/411182767.db2.gz AFYVOTLGUNKCFX-GMSGAONNSA-N 1 2 224.264 -0.021 20 0 BBADLO C[C@@]12COC[C@@H]1C[N@@H+](Cc1n[nH]c(=O)[nH]1)C2 ZINC000661697291 411182367 /nfs/dbraw/zinc/18/23/67/411182367.db2.gz AFYVOTLGUNKCFX-OIBJUYFYSA-N 1 2 224.264 -0.021 20 0 BBADLO C[C@@]12COC[C@@H]1C[N@H+](Cc1n[nH]c(=O)[nH]1)C2 ZINC000661697291 411182366 /nfs/dbraw/zinc/18/23/66/411182366.db2.gz AFYVOTLGUNKCFX-OIBJUYFYSA-N 1 2 224.264 -0.021 20 0 BBADLO C[C@]12COC[C@H]1C[N@@H+](Cc1n[nH]c(=O)[nH]1)C2 ZINC000661697293 411182804 /nfs/dbraw/zinc/18/28/04/411182804.db2.gz AFYVOTLGUNKCFX-XCBNKYQSSA-N 1 2 224.264 -0.021 20 0 BBADLO C[C@]12COC[C@H]1C[N@H+](Cc1n[nH]c(=O)[nH]1)C2 ZINC000661697293 411182802 /nfs/dbraw/zinc/18/28/02/411182802.db2.gz AFYVOTLGUNKCFX-XCBNKYQSSA-N 1 2 224.264 -0.021 20 0 BBADLO C[C@]12COC[C@@H]1C[N@@H+](Cc1n[nH]c(=O)[nH]1)C2 ZINC000661697295 411182195 /nfs/dbraw/zinc/18/21/95/411182195.db2.gz AFYVOTLGUNKCFX-XVKPBYJWSA-N 1 2 224.264 -0.021 20 0 BBADLO C[C@]12COC[C@@H]1C[N@H+](Cc1n[nH]c(=O)[nH]1)C2 ZINC000661697295 411182193 /nfs/dbraw/zinc/18/21/93/411182193.db2.gz AFYVOTLGUNKCFX-XVKPBYJWSA-N 1 2 224.264 -0.021 20 0 BBADLO Cn1[nH]c(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)nc1=O ZINC000661699085 411189603 /nfs/dbraw/zinc/18/96/03/411189603.db2.gz IPWDHAZPAKKBEX-GZMMTYOYSA-N 1 2 238.291 -0.423 20 0 BBADLO Cn1[nH]c(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)nc1=O ZINC000661699085 411189596 /nfs/dbraw/zinc/18/95/96/411189596.db2.gz IPWDHAZPAKKBEX-GZMMTYOYSA-N 1 2 238.291 -0.423 20 0 BBADLO Cn1[nH]c(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)nc1=O ZINC000661699090 411189449 /nfs/dbraw/zinc/18/94/49/411189449.db2.gz IPWDHAZPAKKBEX-KCJUWKMLSA-N 1 2 238.291 -0.423 20 0 BBADLO Cn1[nH]c(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)nc1=O ZINC000661699090 411189448 /nfs/dbraw/zinc/18/94/48/411189448.db2.gz IPWDHAZPAKKBEX-KCJUWKMLSA-N 1 2 238.291 -0.423 20 0 BBADLO Cn1[nH]c(C[N@H+]2C[C@H]3COC[C@]3(C)C2)nc1=O ZINC000661699093 411189662 /nfs/dbraw/zinc/18/96/62/411189662.db2.gz IPWDHAZPAKKBEX-KWQFWETISA-N 1 2 238.291 -0.423 20 0 BBADLO Cn1[nH]c(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)nc1=O ZINC000661699093 411189659 /nfs/dbraw/zinc/18/96/59/411189659.db2.gz IPWDHAZPAKKBEX-KWQFWETISA-N 1 2 238.291 -0.423 20 0 BBADLO Cn1[nH]c(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)nc1=O ZINC000661699096 411189484 /nfs/dbraw/zinc/18/94/84/411189484.db2.gz IPWDHAZPAKKBEX-LDYMZIIASA-N 1 2 238.291 -0.423 20 0 BBADLO Cn1[nH]c(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)nc1=O ZINC000661699096 411189482 /nfs/dbraw/zinc/18/94/82/411189482.db2.gz IPWDHAZPAKKBEX-LDYMZIIASA-N 1 2 238.291 -0.423 20 0 BBADLO Cn1nnc(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)n1 ZINC000661705705 411243545 /nfs/dbraw/zinc/24/35/45/411243545.db2.gz XCLBNHKLXLCWTM-PSASIEDQSA-N 1 2 223.280 -0.322 20 0 BBADLO Cn1nnc(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)n1 ZINC000661705705 411243543 /nfs/dbraw/zinc/24/35/43/411243543.db2.gz XCLBNHKLXLCWTM-PSASIEDQSA-N 1 2 223.280 -0.322 20 0 BBADLO Cn1nnc(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)n1 ZINC000661705706 411243224 /nfs/dbraw/zinc/24/32/24/411243224.db2.gz XCLBNHKLXLCWTM-SCZZXKLOSA-N 1 2 223.280 -0.322 20 0 BBADLO Cn1nnc(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)n1 ZINC000661705706 411243223 /nfs/dbraw/zinc/24/32/23/411243223.db2.gz XCLBNHKLXLCWTM-SCZZXKLOSA-N 1 2 223.280 -0.322 20 0 BBADLO Cn1nnc(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)n1 ZINC000661705707 411243030 /nfs/dbraw/zinc/24/30/30/411243030.db2.gz XCLBNHKLXLCWTM-WCBMZHEXSA-N 1 2 223.280 -0.322 20 0 BBADLO Cn1nnc(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)n1 ZINC000661705707 411243025 /nfs/dbraw/zinc/24/30/25/411243025.db2.gz XCLBNHKLXLCWTM-WCBMZHEXSA-N 1 2 223.280 -0.322 20 0 BBADLO Cn1nnc(C[N@H+]2C[C@H]3COC[C@]3(C)C2)n1 ZINC000661705710 411243650 /nfs/dbraw/zinc/24/36/50/411243650.db2.gz XCLBNHKLXLCWTM-WPRPVWTQSA-N 1 2 223.280 -0.322 20 0 BBADLO Cn1nnc(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)n1 ZINC000661705710 411243648 /nfs/dbraw/zinc/24/36/48/411243648.db2.gz XCLBNHKLXLCWTM-WPRPVWTQSA-N 1 2 223.280 -0.322 20 0 BBADLO O[C@]12C[C@H]1C[N@@H+](Cc1nnnn1C1CC1)CC2 ZINC000661712464 411853219 /nfs/dbraw/zinc/85/32/19/411853219.db2.gz RASCSHRJVXIKTR-GZMMTYOYSA-N 1 2 235.291 -0.035 20 0 BBADLO O[C@]12C[C@H]1C[N@H+](Cc1nnnn1C1CC1)CC2 ZINC000661712464 411853217 /nfs/dbraw/zinc/85/32/17/411853217.db2.gz RASCSHRJVXIKTR-GZMMTYOYSA-N 1 2 235.291 -0.035 20 0 BBADLO O[C@]12C[C@H]1C[N@@H+](CCc1cnn[nH]1)CC2 ZINC000661720081 411857823 /nfs/dbraw/zinc/85/78/23/411857823.db2.gz GUWFIHIWTTZWCM-WCBMZHEXSA-N 1 2 208.265 -0.196 20 0 BBADLO O[C@]12C[C@H]1C[N@H+](CCc1cnn[nH]1)CC2 ZINC000661720081 411857820 /nfs/dbraw/zinc/85/78/20/411857820.db2.gz GUWFIHIWTTZWCM-WCBMZHEXSA-N 1 2 208.265 -0.196 20 0 BBADLO O=C(C[N@H+]1CC[C@@]2(O)C[C@H]2C1)Nc1cnccn1 ZINC000661722251 411858572 /nfs/dbraw/zinc/85/85/72/411858572.db2.gz XUBGYOKEWQVGDE-JOYOIKCWSA-N 1 2 248.286 -0.128 20 0 BBADLO O=C(C[N@@H+]1CC[C@@]2(O)C[C@H]2C1)Nc1cnccn1 ZINC000661722251 411858569 /nfs/dbraw/zinc/85/85/69/411858569.db2.gz XUBGYOKEWQVGDE-JOYOIKCWSA-N 1 2 248.286 -0.128 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661722605 411289563 /nfs/dbraw/zinc/28/95/63/411289563.db2.gz JDFSGZBBXISSPU-KHQFGBGNSA-N 1 2 223.280 -0.272 20 0 BBADLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661722605 411289561 /nfs/dbraw/zinc/28/95/61/411289561.db2.gz JDFSGZBBXISSPU-KHQFGBGNSA-N 1 2 223.280 -0.272 20 0 BBADLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661722609 411289554 /nfs/dbraw/zinc/28/95/54/411289554.db2.gz JDFSGZBBXISSPU-OYNCUSHFSA-N 1 2 223.280 -0.272 20 0 BBADLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661722609 411289550 /nfs/dbraw/zinc/28/95/50/411289550.db2.gz JDFSGZBBXISSPU-OYNCUSHFSA-N 1 2 223.280 -0.272 20 0 BBADLO CCN1OC[C@H]([N@H+]2CC[C@@]3(O)C[C@H]3C2)C1=O ZINC000661723428 411859307 /nfs/dbraw/zinc/85/93/07/411859307.db2.gz MZZBIGBCOJMVAF-ATZCPNFKSA-N 1 2 226.276 -0.395 20 0 BBADLO CCN1OC[C@H]([N@@H+]2CC[C@@]3(O)C[C@H]3C2)C1=O ZINC000661723428 411859304 /nfs/dbraw/zinc/85/93/04/411859304.db2.gz MZZBIGBCOJMVAF-ATZCPNFKSA-N 1 2 226.276 -0.395 20 0 BBADLO CCN1OC[C@@H]([N@H+]2CC[C@@]3(O)C[C@H]3C2)C1=O ZINC000661723429 411857904 /nfs/dbraw/zinc/85/79/04/411857904.db2.gz MZZBIGBCOJMVAF-IQJOONFLSA-N 1 2 226.276 -0.395 20 0 BBADLO CCN1OC[C@@H]([N@@H+]2CC[C@@]3(O)C[C@H]3C2)C1=O ZINC000661723429 411857901 /nfs/dbraw/zinc/85/79/01/411857901.db2.gz MZZBIGBCOJMVAF-IQJOONFLSA-N 1 2 226.276 -0.395 20 0 BBADLO COC[C@H](C[N@@H+](C)Cc1cn(C)nn1)OC ZINC000661743584 411861848 /nfs/dbraw/zinc/86/18/48/411861848.db2.gz IVQWCRZTAHQGFM-JTQLQIEISA-N 1 2 228.296 -0.092 20 0 BBADLO COC[C@H](C[N@H+](C)Cc1cn(C)nn1)OC ZINC000661743584 411861846 /nfs/dbraw/zinc/86/18/46/411861846.db2.gz IVQWCRZTAHQGFM-JTQLQIEISA-N 1 2 228.296 -0.092 20 0 BBADLO COC[C@@H](C[N@@H+](C)Cc1cn(C)nn1)OC ZINC000661743585 411862531 /nfs/dbraw/zinc/86/25/31/411862531.db2.gz IVQWCRZTAHQGFM-SNVBAGLBSA-N 1 2 228.296 -0.092 20 0 BBADLO COC[C@@H](C[N@H+](C)Cc1cn(C)nn1)OC ZINC000661743585 411862527 /nfs/dbraw/zinc/86/25/27/411862527.db2.gz IVQWCRZTAHQGFM-SNVBAGLBSA-N 1 2 228.296 -0.092 20 0 BBADLO CC(=O)[C@@](C)(O)C[N@H+](C)Cc1cn(C)nn1 ZINC000661744742 411863119 /nfs/dbraw/zinc/86/31/19/411863119.db2.gz ZQLQEJKGQRHQFT-JTQLQIEISA-N 1 2 226.280 -0.413 20 0 BBADLO CC(=O)[C@@](C)(O)C[N@@H+](C)Cc1cn(C)nn1 ZINC000661744742 411863114 /nfs/dbraw/zinc/86/31/14/411863114.db2.gz ZQLQEJKGQRHQFT-JTQLQIEISA-N 1 2 226.280 -0.413 20 0 BBADLO CC(=O)[C@](C)(O)C[N@H+](C)Cc1cn(C)nn1 ZINC000661744743 411862429 /nfs/dbraw/zinc/86/24/29/411862429.db2.gz ZQLQEJKGQRHQFT-SNVBAGLBSA-N 1 2 226.280 -0.413 20 0 BBADLO CC(=O)[C@](C)(O)C[N@@H+](C)Cc1cn(C)nn1 ZINC000661744743 411862427 /nfs/dbraw/zinc/86/24/27/411862427.db2.gz ZQLQEJKGQRHQFT-SNVBAGLBSA-N 1 2 226.280 -0.413 20 0 BBADLO CN(C)C(=O)CC[N@@H+](C)Cc1cn(C)nn1 ZINC000661744747 411863009 /nfs/dbraw/zinc/86/30/09/411863009.db2.gz ZVOBNOKETRUKMI-UHFFFAOYSA-N 1 2 225.296 -0.275 20 0 BBADLO CN(C)C(=O)CC[N@H+](C)Cc1cn(C)nn1 ZINC000661744747 411863003 /nfs/dbraw/zinc/86/30/03/411863003.db2.gz ZVOBNOKETRUKMI-UHFFFAOYSA-N 1 2 225.296 -0.275 20 0 BBADLO CCOC[C@@H](O)C[N@@H+](C)Cc1cn(C)nn1 ZINC000661746874 411864717 /nfs/dbraw/zinc/86/47/17/411864717.db2.gz IEAHDJTTZRKMFI-JTQLQIEISA-N 1 2 228.296 -0.356 20 0 BBADLO CCOC[C@@H](O)C[N@H+](C)Cc1cn(C)nn1 ZINC000661746874 411864713 /nfs/dbraw/zinc/86/47/13/411864713.db2.gz IEAHDJTTZRKMFI-JTQLQIEISA-N 1 2 228.296 -0.356 20 0 BBADLO CCOC[C@H](O)C[N@@H+](C)Cc1cn(C)nn1 ZINC000661746876 411864953 /nfs/dbraw/zinc/86/49/53/411864953.db2.gz IEAHDJTTZRKMFI-SNVBAGLBSA-N 1 2 228.296 -0.356 20 0 BBADLO CCOC[C@H](O)C[N@H+](C)Cc1cn(C)nn1 ZINC000661746876 411864949 /nfs/dbraw/zinc/86/49/49/411864949.db2.gz IEAHDJTTZRKMFI-SNVBAGLBSA-N 1 2 228.296 -0.356 20 0 BBADLO CCNC(=O)CC[N@@H+](C)Cc1cn(C)nn1 ZINC000661747678 411865120 /nfs/dbraw/zinc/86/51/20/411865120.db2.gz NUEMLDWUMYHCQX-UHFFFAOYSA-N 1 2 225.296 -0.227 20 0 BBADLO CCNC(=O)CC[N@H+](C)Cc1cn(C)nn1 ZINC000661747678 411865115 /nfs/dbraw/zinc/86/51/15/411865115.db2.gz NUEMLDWUMYHCQX-UHFFFAOYSA-N 1 2 225.296 -0.227 20 0 BBADLO C[C@H](O)[C@H]1CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000661764550 411874084 /nfs/dbraw/zinc/87/40/84/411874084.db2.gz FYJIGMQQQRJUJT-NKWVEPMBSA-N 1 2 212.253 -0.145 20 0 BBADLO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000661764550 411874079 /nfs/dbraw/zinc/87/40/79/411874079.db2.gz FYJIGMQQQRJUJT-NKWVEPMBSA-N 1 2 212.253 -0.145 20 0 BBADLO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000661764551 411873646 /nfs/dbraw/zinc/87/36/46/411873646.db2.gz FYJIGMQQQRJUJT-RNFRBKRXSA-N 1 2 212.253 -0.145 20 0 BBADLO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000661764551 411873642 /nfs/dbraw/zinc/87/36/42/411873642.db2.gz FYJIGMQQQRJUJT-RNFRBKRXSA-N 1 2 212.253 -0.145 20 0 BBADLO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1nnn(C)n1 ZINC000661766435 411878968 /nfs/dbraw/zinc/87/89/68/411878968.db2.gz YINBATSSFNALNJ-HTQZYQBOSA-N 1 2 211.269 -0.445 20 0 BBADLO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1nnn(C)n1 ZINC000661766435 411878964 /nfs/dbraw/zinc/87/89/64/411878964.db2.gz YINBATSSFNALNJ-HTQZYQBOSA-N 1 2 211.269 -0.445 20 0 BBADLO C[C@H](O)[C@H]1CCC[N@H+]1Cc1nnn(C)n1 ZINC000661766436 411877503 /nfs/dbraw/zinc/87/75/03/411877503.db2.gz YINBATSSFNALNJ-JGVFFNPUSA-N 1 2 211.269 -0.445 20 0 BBADLO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1nnn(C)n1 ZINC000661766436 411877496 /nfs/dbraw/zinc/87/74/96/411877496.db2.gz YINBATSSFNALNJ-JGVFFNPUSA-N 1 2 211.269 -0.445 20 0 BBADLO Cn1nncc1C[N@@H+]1CCC(=O)N(C)CC1 ZINC000661805300 411886551 /nfs/dbraw/zinc/88/65/51/411886551.db2.gz GFZHCKWQLDRGDA-UHFFFAOYSA-N 1 2 223.280 -0.521 20 0 BBADLO Cn1nncc1C[N@H+]1CCC(=O)N(C)CC1 ZINC000661805300 411886547 /nfs/dbraw/zinc/88/65/47/411886547.db2.gz GFZHCKWQLDRGDA-UHFFFAOYSA-N 1 2 223.280 -0.521 20 0 BBADLO Cc1nnc(C[N@H+]2CCC(=O)N(C)CC2)[nH]1 ZINC000661805565 411887371 /nfs/dbraw/zinc/88/73/71/411887371.db2.gz MCEIRAIJELKOHT-UHFFFAOYSA-N 1 2 223.280 -0.223 20 0 BBADLO Cc1nnc(C[N@@H+]2CCC(=O)N(C)CC2)[nH]1 ZINC000661805565 411887367 /nfs/dbraw/zinc/88/73/67/411887367.db2.gz MCEIRAIJELKOHT-UHFFFAOYSA-N 1 2 223.280 -0.223 20 0 BBADLO CN1CC[N@@H+](CCc2c[nH]nn2)CCC1=O ZINC000661805567 411886740 /nfs/dbraw/zinc/88/67/40/411886740.db2.gz MEDKDHWAPJSBME-UHFFFAOYSA-N 1 2 223.280 -0.489 20 0 BBADLO CN1CC[N@H+](CCc2c[nH]nn2)CCC1=O ZINC000661805567 411886736 /nfs/dbraw/zinc/88/67/36/411886736.db2.gz MEDKDHWAPJSBME-UHFFFAOYSA-N 1 2 223.280 -0.489 20 0 BBADLO CCn1ncnc1C[N@@H+]1CCC(=O)N(C)CC1 ZINC000661805857 411889511 /nfs/dbraw/zinc/88/95/11/411889511.db2.gz TUQMKLINCUKYNL-UHFFFAOYSA-N 1 2 237.307 -0.038 20 0 BBADLO CCn1ncnc1C[N@H+]1CCC(=O)N(C)CC1 ZINC000661805857 411889505 /nfs/dbraw/zinc/88/95/05/411889505.db2.gz TUQMKLINCUKYNL-UHFFFAOYSA-N 1 2 237.307 -0.038 20 0 BBADLO C[C@H](c1nnnn1C)[N@@H+]1CCC(=O)N(C)CC1 ZINC000661805969 411888315 /nfs/dbraw/zinc/88/83/15/411888315.db2.gz CBORVFVNQGLPKK-MRVPVSSYSA-N 1 2 238.295 -0.565 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+]1CCC(=O)N(C)CC1 ZINC000661805969 411888313 /nfs/dbraw/zinc/88/83/13/411888313.db2.gz CBORVFVNQGLPKK-MRVPVSSYSA-N 1 2 238.295 -0.565 20 0 BBADLO C[C@@H](c1nnnn1C)[N@@H+]1CCC(=O)N(C)CC1 ZINC000661805973 411888089 /nfs/dbraw/zinc/88/80/89/411888089.db2.gz CBORVFVNQGLPKK-QMMMGPOBSA-N 1 2 238.295 -0.565 20 0 BBADLO C[C@@H](c1nnnn1C)[N@H+]1CCC(=O)N(C)CC1 ZINC000661805973 411888086 /nfs/dbraw/zinc/88/80/86/411888086.db2.gz CBORVFVNQGLPKK-QMMMGPOBSA-N 1 2 238.295 -0.565 20 0 BBADLO CN1CC[N@@H+](CC(=O)N2CCCC2)CCC1=O ZINC000661806846 411888988 /nfs/dbraw/zinc/88/89/88/411888988.db2.gz HOBUGEHSKOAMSD-UHFFFAOYSA-N 1 2 239.319 -0.227 20 0 BBADLO CN1CC[N@H+](CC(=O)N2CCCC2)CCC1=O ZINC000661806846 411888985 /nfs/dbraw/zinc/88/89/85/411888985.db2.gz HOBUGEHSKOAMSD-UHFFFAOYSA-N 1 2 239.319 -0.227 20 0 BBADLO CN(C(=O)C[N@@H+]1CCC(=O)N(C)CC1)C1CC1 ZINC000661806910 411888886 /nfs/dbraw/zinc/88/88/86/411888886.db2.gz JJXXDNNKINSPRG-UHFFFAOYSA-N 1 2 239.319 -0.229 20 0 BBADLO CN(C(=O)C[N@H+]1CCC(=O)N(C)CC1)C1CC1 ZINC000661806910 411888882 /nfs/dbraw/zinc/88/88/82/411888882.db2.gz JJXXDNNKINSPRG-UHFFFAOYSA-N 1 2 239.319 -0.229 20 0 BBADLO CCN1OC[C@@H]([N@@H+]2CCC(=O)N(C)CC2)C1=O ZINC000661806975 411888330 /nfs/dbraw/zinc/88/83/30/411888330.db2.gz QMVQKHILEHMZTN-SECBINFHSA-N 1 2 241.291 -0.687 20 0 BBADLO CCN1OC[C@@H]([N@H+]2CCC(=O)N(C)CC2)C1=O ZINC000661806975 411888328 /nfs/dbraw/zinc/88/83/28/411888328.db2.gz QMVQKHILEHMZTN-SECBINFHSA-N 1 2 241.291 -0.687 20 0 BBADLO CCN1OC[C@H]([N@@H+]2CCC(=O)N(C)CC2)C1=O ZINC000661806976 411888387 /nfs/dbraw/zinc/88/83/87/411888387.db2.gz QMVQKHILEHMZTN-VIFPVBQESA-N 1 2 241.291 -0.687 20 0 BBADLO CCN1OC[C@H]([N@H+]2CCC(=O)N(C)CC2)C1=O ZINC000661806976 411888386 /nfs/dbraw/zinc/88/83/86/411888386.db2.gz QMVQKHILEHMZTN-VIFPVBQESA-N 1 2 241.291 -0.687 20 0 BBADLO CN1CC[N@@H+](CCCS(C)(=O)=O)CCC1=O ZINC000661808809 411889069 /nfs/dbraw/zinc/88/90/69/411889069.db2.gz HIZKFWCUDGOKEH-UHFFFAOYSA-N 1 2 248.348 -0.415 20 0 BBADLO CN1CC[N@H+](CCCS(C)(=O)=O)CCC1=O ZINC000661808809 411889064 /nfs/dbraw/zinc/88/90/64/411889064.db2.gz HIZKFWCUDGOKEH-UHFFFAOYSA-N 1 2 248.348 -0.415 20 0 BBADLO CN1CC[N@@H+](CC(=O)NCC2CC2)CCC1=O ZINC000661810046 411888643 /nfs/dbraw/zinc/88/86/43/411888643.db2.gz ZRGPBHWJWNEUMU-UHFFFAOYSA-N 1 2 239.319 -0.323 20 0 BBADLO CN1CC[N@H+](CC(=O)NCC2CC2)CCC1=O ZINC000661810046 411888641 /nfs/dbraw/zinc/88/86/41/411888641.db2.gz ZRGPBHWJWNEUMU-UHFFFAOYSA-N 1 2 239.319 -0.323 20 0 BBADLO CN1CC[N@@H+](CC(=O)N2CCC2)CCC1=O ZINC000661811797 411891317 /nfs/dbraw/zinc/89/13/17/411891317.db2.gz ZDPZUUOYWNISOZ-UHFFFAOYSA-N 1 2 225.292 -0.617 20 0 BBADLO CN1CC[N@H+](CC(=O)N2CCC2)CCC1=O ZINC000661811797 411891312 /nfs/dbraw/zinc/89/13/12/411891312.db2.gz ZDPZUUOYWNISOZ-UHFFFAOYSA-N 1 2 225.292 -0.617 20 0 BBADLO Cc1nnc(C[N@@H+]2CCC(=O)N(C)CC2)n1C ZINC000661811823 411890331 /nfs/dbraw/zinc/89/03/31/411890331.db2.gz ZRGFOXADIXIDNQ-UHFFFAOYSA-N 1 2 237.307 -0.212 20 0 BBADLO Cc1nnc(C[N@H+]2CCC(=O)N(C)CC2)n1C ZINC000661811823 411890329 /nfs/dbraw/zinc/89/03/29/411890329.db2.gz ZRGFOXADIXIDNQ-UHFFFAOYSA-N 1 2 237.307 -0.212 20 0 BBADLO CN1CC[N@@H+](CC(=O)NC2CC2)CCC1=O ZINC000661812899 411890535 /nfs/dbraw/zinc/89/05/35/411890535.db2.gz DRCPMYCKGAUGLN-UHFFFAOYSA-N 1 2 225.292 -0.571 20 0 BBADLO CN1CC[N@H+](CC(=O)NC2CC2)CCC1=O ZINC000661812899 411890531 /nfs/dbraw/zinc/89/05/31/411890531.db2.gz DRCPMYCKGAUGLN-UHFFFAOYSA-N 1 2 225.292 -0.571 20 0 BBADLO O=c1[nH]nc(C[NH2+][C@H]2C[C@H](O)C23CCC3)[nH]1 ZINC000661829654 411893645 /nfs/dbraw/zinc/89/36/45/411893645.db2.gz DPMPBDJESTUWQM-BQBZGAKWSA-N 1 2 224.264 -0.097 20 0 BBADLO O=c1[nH]nc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)[nH]1 ZINC000661829658 411894376 /nfs/dbraw/zinc/89/43/76/411894376.db2.gz DPMPBDJESTUWQM-NKWVEPMBSA-N 1 2 224.264 -0.097 20 0 BBADLO O=c1[nH]nc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)[nH]1 ZINC000661829661 411894216 /nfs/dbraw/zinc/89/42/16/411894216.db2.gz DPMPBDJESTUWQM-RNFRBKRXSA-N 1 2 224.264 -0.097 20 0 BBADLO O=c1[nH]nc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)[nH]1 ZINC000661829664 411893718 /nfs/dbraw/zinc/89/37/18/411893718.db2.gz DPMPBDJESTUWQM-RQJHMYQMSA-N 1 2 224.264 -0.097 20 0 BBADLO Cn1[nH]c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)nc1=O ZINC000661973708 411341473 /nfs/dbraw/zinc/34/14/73/411341473.db2.gz UFGRZWJAJBEHMU-HTQZYQBOSA-N 1 2 208.265 -0.050 20 0 BBADLO Cn1[nH]c(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)nc1=O ZINC000661973708 411341472 /nfs/dbraw/zinc/34/14/72/411341472.db2.gz UFGRZWJAJBEHMU-HTQZYQBOSA-N 1 2 208.265 -0.050 20 0 BBADLO Cn1[nH]c(C[N@H+]2CC[C@H]3C[C@H]3C2)nc1=O ZINC000661973716 411341441 /nfs/dbraw/zinc/34/14/41/411341441.db2.gz UFGRZWJAJBEHMU-YUMQZZPRSA-N 1 2 208.265 -0.050 20 0 BBADLO Cn1[nH]c(C[N@@H+]2CC[C@H]3C[C@H]3C2)nc1=O ZINC000661973716 411341439 /nfs/dbraw/zinc/34/14/39/411341439.db2.gz UFGRZWJAJBEHMU-YUMQZZPRSA-N 1 2 208.265 -0.050 20 0 BBADLO Nc1nc(N)nc(C[N@H+]2CC[C@H]3C[C@H]3C2)n1 ZINC000661978198 411933804 /nfs/dbraw/zinc/93/38/04/411933804.db2.gz ODOWPYOSSUDGDM-BQBZGAKWSA-N 1 2 220.280 -0.122 20 0 BBADLO Nc1nc(N)nc(C[N@@H+]2CC[C@H]3C[C@H]3C2)n1 ZINC000661978198 411933801 /nfs/dbraw/zinc/93/38/01/411933801.db2.gz ODOWPYOSSUDGDM-BQBZGAKWSA-N 1 2 220.280 -0.122 20 0 BBADLO Nc1nc(N)nc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000661978200 411933699 /nfs/dbraw/zinc/93/36/99/411933699.db2.gz ODOWPYOSSUDGDM-RNFRBKRXSA-N 1 2 220.280 -0.122 20 0 BBADLO Nc1nc(N)nc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000661978200 411933695 /nfs/dbraw/zinc/93/36/95/411933695.db2.gz ODOWPYOSSUDGDM-RNFRBKRXSA-N 1 2 220.280 -0.122 20 0 BBADLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC000662012508 411942086 /nfs/dbraw/zinc/94/20/86/411942086.db2.gz IJRWNZHQLUWUSX-MRVPVSSYSA-N 1 2 228.296 -0.841 20 0 BBADLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC000662012508 411942084 /nfs/dbraw/zinc/94/20/84/411942084.db2.gz IJRWNZHQLUWUSX-MRVPVSSYSA-N 1 2 228.296 -0.841 20 0 BBADLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC000662012509 411940944 /nfs/dbraw/zinc/94/09/44/411940944.db2.gz IJRWNZHQLUWUSX-QMMMGPOBSA-N 1 2 228.296 -0.841 20 0 BBADLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC000662012509 411940935 /nfs/dbraw/zinc/94/09/35/411940935.db2.gz 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411956585 /nfs/dbraw/zinc/95/65/85/411956585.db2.gz VBVHRPUKXVTXAN-SFYZADRCSA-N 1 2 224.264 -0.021 20 0 BBADLO O=c1[nH]nc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)[nH]1 ZINC000662037837 411955919 /nfs/dbraw/zinc/95/59/19/411955919.db2.gz VBVHRPUKXVTXAN-YUMQZZPRSA-N 1 2 224.264 -0.021 20 0 BBADLO O=c1[nH]nc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)[nH]1 ZINC000662037837 411955916 /nfs/dbraw/zinc/95/59/16/411955916.db2.gz VBVHRPUKXVTXAN-YUMQZZPRSA-N 1 2 224.264 -0.021 20 0 BBADLO CC(=O)[C@](C)(O)C[N@@H+](C)CC(=O)N1CCCC1 ZINC000662040033 411959057 /nfs/dbraw/zinc/95/90/57/411959057.db2.gz YSRGZSZSUFAVDX-GFCCVEGCSA-N 1 2 242.319 -0.119 20 0 BBADLO CC(=O)[C@](C)(O)C[N@H+](C)CC(=O)N1CCCC1 ZINC000662040033 411959055 /nfs/dbraw/zinc/95/90/55/411959055.db2.gz YSRGZSZSUFAVDX-GFCCVEGCSA-N 1 2 242.319 -0.119 20 0 BBADLO CC(=O)[C@@](C)(O)C[N@@H+](C)CC(=O)N1CCCC1 ZINC000662040034 411957655 /nfs/dbraw/zinc/95/76/55/411957655.db2.gz YSRGZSZSUFAVDX-LBPRGKRZSA-N 1 2 242.319 -0.119 20 0 BBADLO CC(=O)[C@@](C)(O)C[N@H+](C)CC(=O)N1CCCC1 ZINC000662040034 411957651 /nfs/dbraw/zinc/95/76/51/411957651.db2.gz YSRGZSZSUFAVDX-LBPRGKRZSA-N 1 2 242.319 -0.119 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+]1CCC2(COC2)C1 ZINC000662071721 411971199 /nfs/dbraw/zinc/97/11/99/411971199.db2.gz APJUFRSWCGIPNB-MRVPVSSYSA-N 1 2 223.280 -0.007 20 0 BBADLO C[C@H](c1nnnn1C)[N@@H+]1CCC2(COC2)C1 ZINC000662071721 411971195 /nfs/dbraw/zinc/97/11/95/411971195.db2.gz APJUFRSWCGIPNB-MRVPVSSYSA-N 1 2 223.280 -0.007 20 0 BBADLO C[C@@H](c1nnnn1C)[N@H+]1CCC2(COC2)C1 ZINC000662071724 411972570 /nfs/dbraw/zinc/97/25/70/411972570.db2.gz APJUFRSWCGIPNB-QMMMGPOBSA-N 1 2 223.280 -0.007 20 0 BBADLO C[C@@H](c1nnnn1C)[N@@H+]1CCC2(COC2)C1 ZINC000662071724 411972566 /nfs/dbraw/zinc/97/25/66/411972566.db2.gz APJUFRSWCGIPNB-QMMMGPOBSA-N 1 2 223.280 -0.007 20 0 BBADLO Cn1nnc(C[N@H+]2CCC3(COC3)C2)n1 ZINC000662073024 411974871 /nfs/dbraw/zinc/97/48/71/411974871.db2.gz PSJYGCMPDXVZMJ-UHFFFAOYSA-N 1 2 209.253 -0.568 20 0 BBADLO Cn1nnc(C[N@@H+]2CCC3(COC3)C2)n1 ZINC000662073024 411974866 /nfs/dbraw/zinc/97/48/66/411974866.db2.gz PSJYGCMPDXVZMJ-UHFFFAOYSA-N 1 2 209.253 -0.568 20 0 BBADLO O=c1[nH]nc(C[N@H+]2CCC3(COC3)C2)[nH]1 ZINC000662073315 411974752 /nfs/dbraw/zinc/97/47/52/411974752.db2.gz HSLIULAYJQZAPJ-UHFFFAOYSA-N 1 2 210.237 -0.267 20 0 BBADLO O=c1[nH]nc(C[N@@H+]2CCC3(COC3)C2)[nH]1 ZINC000662073315 411974745 /nfs/dbraw/zinc/97/47/45/411974745.db2.gz HSLIULAYJQZAPJ-UHFFFAOYSA-N 1 2 210.237 -0.267 20 0 BBADLO Cn1nnnc1C[N@H+]1CCC2(COC2)C1 ZINC000662076280 411978861 /nfs/dbraw/zinc/97/88/61/411978861.db2.gz ZLIWWEZRUFBKNU-UHFFFAOYSA-N 1 2 209.253 -0.568 20 0 BBADLO Cn1nnnc1C[N@@H+]1CCC2(COC2)C1 ZINC000662076280 411978857 /nfs/dbraw/zinc/97/88/57/411978857.db2.gz ZLIWWEZRUFBKNU-UHFFFAOYSA-N 1 2 209.253 -0.568 20 0 BBADLO OCCOCC[N@H+]1CCc2nccnc2C1 ZINC000662118828 411990650 /nfs/dbraw/zinc/99/06/50/411990650.db2.gz FENDVQYSGPKODO-UHFFFAOYSA-N 1 2 223.276 -0.156 20 0 BBADLO OCCOCC[N@@H+]1CCc2nccnc2C1 ZINC000662118828 411990646 /nfs/dbraw/zinc/99/06/46/411990646.db2.gz FENDVQYSGPKODO-UHFFFAOYSA-N 1 2 223.276 -0.156 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@]1(C)CO ZINC000662135520 411999647 /nfs/dbraw/zinc/99/96/47/411999647.db2.gz PECWONJPQKDYIQ-PSASIEDQSA-N 1 2 225.296 -0.340 20 0 BBADLO C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@]1(C)CO ZINC000662135520 411999643 /nfs/dbraw/zinc/99/96/43/411999643.db2.gz PECWONJPQKDYIQ-PSASIEDQSA-N 1 2 225.296 -0.340 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@@]1(C)CO ZINC000662135521 411999816 /nfs/dbraw/zinc/99/98/16/411999816.db2.gz PECWONJPQKDYIQ-SCZZXKLOSA-N 1 2 225.296 -0.340 20 0 BBADLO C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@@]1(C)CO ZINC000662135521 411999815 /nfs/dbraw/zinc/99/98/15/411999815.db2.gz PECWONJPQKDYIQ-SCZZXKLOSA-N 1 2 225.296 -0.340 20 0 BBADLO C[C@H]1C[N@@H+](Cc2nnnn2C)C[C@]1(C)CO ZINC000662135522 411999393 /nfs/dbraw/zinc/99/93/93/411999393.db2.gz PECWONJPQKDYIQ-WCBMZHEXSA-N 1 2 225.296 -0.340 20 0 BBADLO C[C@H]1C[N@H+](Cc2nnnn2C)C[C@]1(C)CO ZINC000662135522 411999391 /nfs/dbraw/zinc/99/93/91/411999391.db2.gz PECWONJPQKDYIQ-WCBMZHEXSA-N 1 2 225.296 -0.340 20 0 BBADLO C[C@H]1C[N@@H+](Cc2nnnn2C)C[C@@]1(C)CO ZINC000662135523 411999796 /nfs/dbraw/zinc/99/97/96/411999796.db2.gz PECWONJPQKDYIQ-WPRPVWTQSA-N 1 2 225.296 -0.340 20 0 BBADLO C[C@H]1C[N@H+](Cc2nnnn2C)C[C@@]1(C)CO ZINC000662135523 411999795 /nfs/dbraw/zinc/99/97/95/411999795.db2.gz PECWONJPQKDYIQ-WPRPVWTQSA-N 1 2 225.296 -0.340 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@]1(C)CO ZINC000662139091 412001456 /nfs/dbraw/zinc/00/14/56/412001456.db2.gz AVWOIHUHXZWIOJ-PSASIEDQSA-N 1 2 225.296 -0.340 20 0 BBADLO C[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@]1(C)CO ZINC000662139091 412001454 /nfs/dbraw/zinc/00/14/54/412001454.db2.gz AVWOIHUHXZWIOJ-PSASIEDQSA-N 1 2 225.296 -0.340 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@@]1(C)CO ZINC000662139092 412001412 /nfs/dbraw/zinc/00/14/12/412001412.db2.gz AVWOIHUHXZWIOJ-SCZZXKLOSA-N 1 2 225.296 -0.340 20 0 BBADLO C[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@@]1(C)CO ZINC000662139092 412001410 /nfs/dbraw/zinc/00/14/10/412001410.db2.gz AVWOIHUHXZWIOJ-SCZZXKLOSA-N 1 2 225.296 -0.340 20 0 BBADLO C[C@H]1C[N@@H+](Cc2nnn(C)n2)C[C@]1(C)CO ZINC000662139094 412001256 /nfs/dbraw/zinc/00/12/56/412001256.db2.gz AVWOIHUHXZWIOJ-WCBMZHEXSA-N 1 2 225.296 -0.340 20 0 BBADLO C[C@H]1C[N@H+](Cc2nnn(C)n2)C[C@]1(C)CO ZINC000662139094 412001255 /nfs/dbraw/zinc/00/12/55/412001255.db2.gz AVWOIHUHXZWIOJ-WCBMZHEXSA-N 1 2 225.296 -0.340 20 0 BBADLO C[C@H]1C[N@@H+](Cc2nnn(C)n2)C[C@@]1(C)CO ZINC000662139096 412002014 /nfs/dbraw/zinc/00/20/14/412002014.db2.gz AVWOIHUHXZWIOJ-WPRPVWTQSA-N 1 2 225.296 -0.340 20 0 BBADLO C[C@H]1C[N@H+](Cc2nnn(C)n2)C[C@@]1(C)CO ZINC000662139096 412002011 /nfs/dbraw/zinc/00/20/11/412002011.db2.gz AVWOIHUHXZWIOJ-WPRPVWTQSA-N 1 2 225.296 -0.340 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)C[C@]1(C)CO ZINC000662140681 412001098 /nfs/dbraw/zinc/00/10/98/412001098.db2.gz DNNZJDKJMMIGTO-GMSGAONNSA-N 1 2 226.280 -0.039 20 0 BBADLO C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)C[C@]1(C)CO ZINC000662140681 412001095 /nfs/dbraw/zinc/00/10/95/412001095.db2.gz DNNZJDKJMMIGTO-GMSGAONNSA-N 1 2 226.280 -0.039 20 0 BBADLO C[C@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)C[C@]1(C)CO ZINC000662140682 412001668 /nfs/dbraw/zinc/00/16/68/412001668.db2.gz DNNZJDKJMMIGTO-OIBJUYFYSA-N 1 2 226.280 -0.039 20 0 BBADLO C[C@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)C[C@]1(C)CO ZINC000662140682 412001667 /nfs/dbraw/zinc/00/16/67/412001667.db2.gz DNNZJDKJMMIGTO-OIBJUYFYSA-N 1 2 226.280 -0.039 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)C[C@@]1(C)CO ZINC000662140683 412001220 /nfs/dbraw/zinc/00/12/20/412001220.db2.gz DNNZJDKJMMIGTO-XCBNKYQSSA-N 1 2 226.280 -0.039 20 0 BBADLO C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)C[C@@]1(C)CO ZINC000662140683 412001219 /nfs/dbraw/zinc/00/12/19/412001219.db2.gz DNNZJDKJMMIGTO-XCBNKYQSSA-N 1 2 226.280 -0.039 20 0 BBADLO C[C@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)C[C@@]1(C)CO ZINC000662140684 412002160 /nfs/dbraw/zinc/00/21/60/412002160.db2.gz DNNZJDKJMMIGTO-XVKPBYJWSA-N 1 2 226.280 -0.039 20 0 BBADLO C[C@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)C[C@@]1(C)CO ZINC000662140684 412002157 /nfs/dbraw/zinc/00/21/57/412002157.db2.gz DNNZJDKJMMIGTO-XVKPBYJWSA-N 1 2 226.280 -0.039 20 0 BBADLO C[C@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@]1(C)CO ZINC000662142248 412003706 /nfs/dbraw/zinc/00/37/06/412003706.db2.gz IDQRVHDWOKIPDS-GZMMTYOYSA-N 1 2 240.307 -0.441 20 0 BBADLO C[C@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@]1(C)CO ZINC000662142248 412003700 /nfs/dbraw/zinc/00/37/00/412003700.db2.gz IDQRVHDWOKIPDS-GZMMTYOYSA-N 1 2 240.307 -0.441 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@@]1(C)CO ZINC000662142251 412003804 /nfs/dbraw/zinc/00/38/04/412003804.db2.gz IDQRVHDWOKIPDS-KCJUWKMLSA-N 1 2 240.307 -0.441 20 0 BBADLO C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@@]1(C)CO ZINC000662142251 412003798 /nfs/dbraw/zinc/00/37/98/412003798.db2.gz IDQRVHDWOKIPDS-KCJUWKMLSA-N 1 2 240.307 -0.441 20 0 BBADLO C[C@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@@]1(C)CO ZINC000662142255 412004302 /nfs/dbraw/zinc/00/43/02/412004302.db2.gz IDQRVHDWOKIPDS-KWQFWETISA-N 1 2 240.307 -0.441 20 0 BBADLO C[C@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@@]1(C)CO ZINC000662142255 412004299 /nfs/dbraw/zinc/00/42/99/412004299.db2.gz IDQRVHDWOKIPDS-KWQFWETISA-N 1 2 240.307 -0.441 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@]1(C)CO ZINC000662142258 412003965 /nfs/dbraw/zinc/00/39/65/412003965.db2.gz IDQRVHDWOKIPDS-LDYMZIIASA-N 1 2 240.307 -0.441 20 0 BBADLO C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@]1(C)CO ZINC000662142258 412003953 /nfs/dbraw/zinc/00/39/53/412003953.db2.gz IDQRVHDWOKIPDS-LDYMZIIASA-N 1 2 240.307 -0.441 20 0 BBADLO C[C@H](C[NH3+])[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662244931 412042060 /nfs/dbraw/zinc/04/20/60/412042060.db2.gz PSVUYQAFORPPSJ-NXEZZACHSA-N 1 2 213.325 -0.214 20 0 BBADLO C[C@@H](C[NH3+])[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662244932 412041680 /nfs/dbraw/zinc/04/16/80/412041680.db2.gz PSVUYQAFORPPSJ-UWVGGRQHSA-N 1 2 213.325 -0.214 20 0 BBADLO C[C@@H](C[NH3+])[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662244933 412040925 /nfs/dbraw/zinc/04/09/25/412040925.db2.gz PSVUYQAFORPPSJ-VHSXEESVSA-N 1 2 213.325 -0.214 20 0 BBADLO C[C@H](C[NH3+])[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662244934 412042103 /nfs/dbraw/zinc/04/21/03/412042103.db2.gz PSVUYQAFORPPSJ-ZJUUUORDSA-N 1 2 213.325 -0.214 20 0 BBADLO [NH3+]C[C@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662246962 412044341 /nfs/dbraw/zinc/04/43/41/412044341.db2.gz WFGNFCJHLWXBFR-GHMZBOCLSA-N 1 2 225.336 -0.070 20 0 BBADLO [NH3+]C[C@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662246965 412044419 /nfs/dbraw/zinc/04/44/19/412044419.db2.gz WFGNFCJHLWXBFR-MNOVXSKESA-N 1 2 225.336 -0.070 20 0 BBADLO CNC(=O)C[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662299191 412087508 /nfs/dbraw/zinc/08/75/08/412087508.db2.gz UZOXJNJFTVTSAZ-UHFFFAOYSA-N 1 2 247.298 -0.110 20 0 BBADLO CNC(=O)C[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662299191 412087506 /nfs/dbraw/zinc/08/75/06/412087506.db2.gz UZOXJNJFTVTSAZ-UHFFFAOYSA-N 1 2 247.298 -0.110 20 0 BBADLO NC(=O)C[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662301233 412087341 /nfs/dbraw/zinc/08/73/41/412087341.db2.gz POSVMFUMAZOZMT-UHFFFAOYSA-N 1 2 233.271 -0.371 20 0 BBADLO NC(=O)C[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662301233 412087336 /nfs/dbraw/zinc/08/73/36/412087336.db2.gz POSVMFUMAZOZMT-UHFFFAOYSA-N 1 2 233.271 -0.371 20 0 BBADLO CN1C[C@H](C(=O)Nc2ccc(N)[nH+]c2)NC1=O ZINC000662410707 412155340 /nfs/dbraw/zinc/15/53/40/412155340.db2.gz DALPBSXBNNWHGX-SSDOTTSWSA-N 1 2 235.247 -0.374 20 0 BBADLO CN1C[C@@H](C(=O)Nc2ccc(N)[nH+]c2)NC1=O ZINC000662410713 412156025 /nfs/dbraw/zinc/15/60/25/412156025.db2.gz DALPBSXBNNWHGX-ZETCQYMHSA-N 1 2 235.247 -0.374 20 0 BBADLO O=C(Nc1ccc2[nH]nnc2c1)C1(O)C[NH2+]C1 ZINC000662466636 412184577 /nfs/dbraw/zinc/18/45/77/412184577.db2.gz GZBLHRXNDTVTRL-UHFFFAOYSA-N 1 2 233.231 -0.769 20 0 BBADLO CC(C)[NH2+]CC(=O)NCCCc1n[nH]c(=O)[nH]1 ZINC000662482982 412190535 /nfs/dbraw/zinc/19/05/35/412190535.db2.gz HHYZRTDDLMQARD-UHFFFAOYSA-N 1 2 241.295 -0.443 20 0 BBADLO CC[C@@H]([NH2+]C)C(=O)NCCCc1n[nH]c(=O)[nH]1 ZINC000662483602 412191449 /nfs/dbraw/zinc/19/14/49/412191449.db2.gz NSFWWQMRQSIKSJ-SSDOTTSWSA-N 1 2 241.295 -0.443 20 0 BBADLO CC[C@H]([NH2+]C)C(=O)NCCCc1n[nH]c(=O)[nH]1 ZINC000662483603 412191363 /nfs/dbraw/zinc/19/13/63/412191363.db2.gz NSFWWQMRQSIKSJ-ZETCQYMHSA-N 1 2 241.295 -0.443 20 0 BBADLO CC[C@@H]([NH2+]C)C(=O)N=c1nc(C)[nH]n1C ZINC000662540242 412210342 /nfs/dbraw/zinc/21/03/42/412210342.db2.gz DPBIUWOWJFTJSC-SSDOTTSWSA-N 1 2 211.269 -0.518 20 0 BBADLO CC[C@H]([NH2+]C)C(=O)N=c1nc(C)[nH]n1C ZINC000662540243 412210698 /nfs/dbraw/zinc/21/06/98/412210698.db2.gz DPBIUWOWJFTJSC-ZETCQYMHSA-N 1 2 211.269 -0.518 20 0 BBADLO Cc1nc(=NC(=O)C[NH2+]C(C)C)n(C)[nH]1 ZINC000662542236 412209752 /nfs/dbraw/zinc/20/97/52/412209752.db2.gz YXIOZVQHJUGZKO-UHFFFAOYSA-N 1 2 211.269 -0.518 20 0 BBADLO O=C(N[C@@H]1CCCc2cn[nH]c21)C1(O)C[NH2+]C1 ZINC000662606683 409780200 /nfs/dbraw/zinc/78/02/00/409780200.db2.gz UTYIAAZYBPCXCW-MRVPVSSYSA-N 1 2 236.275 -0.762 20 0 BBADLO O=C(N[C@H]1CCCc2cn[nH]c21)C1(O)C[NH2+]C1 ZINC000662606690 409780550 /nfs/dbraw/zinc/78/05/50/409780550.db2.gz UTYIAAZYBPCXCW-QMMMGPOBSA-N 1 2 236.275 -0.762 20 0 BBADLO CC1(C)CC[NH2+][C@@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000662611288 412240758 /nfs/dbraw/zinc/24/07/58/412240758.db2.gz XQKXCVOZZIJOGN-SSDOTTSWSA-N 1 2 239.279 -0.485 20 0 BBADLO CC1(C)CC[NH2+][C@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000662611289 412240690 /nfs/dbraw/zinc/24/06/90/412240690.db2.gz XQKXCVOZZIJOGN-ZETCQYMHSA-N 1 2 239.279 -0.485 20 0 BBADLO CC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662633725 412248539 /nfs/dbraw/zinc/24/85/39/412248539.db2.gz OPEYCWWLDGPHEQ-LLVKDONJSA-N 1 2 244.383 -0.277 20 0 BBADLO O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000662703367 412276874 /nfs/dbraw/zinc/27/68/74/412276874.db2.gz HEBZAOFSKXLANV-NXEZZACHSA-N 1 2 237.303 -0.713 20 0 BBADLO O=C(CN1CC[NH2+]CC1=O)N1CC[C@H]2C[C@H]2C1 ZINC000662703369 412276453 /nfs/dbraw/zinc/27/64/53/412276453.db2.gz HEBZAOFSKXLANV-UWVGGRQHSA-N 1 2 237.303 -0.713 20 0 BBADLO CC(F)(F)CNC(=O)CN1CC[NH2+]CC1=O ZINC000662897106 409972050 /nfs/dbraw/zinc/97/20/50/409972050.db2.gz CTYKDRSCZZMJNV-UHFFFAOYSA-N 1 2 235.234 -0.810 20 0 BBADLO CC1(C)CC(NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000662947683 412351633 /nfs/dbraw/zinc/35/16/33/412351633.db2.gz VUHRSOBDCYQXDP-UHFFFAOYSA-N 1 2 239.319 -0.277 20 0 BBADLO CC12CC(C1)CN2C(=O)CN1CC[NH2+]CC1=O ZINC000663017594 412372647 /nfs/dbraw/zinc/37/26/47/412372647.db2.gz PRERPLMUJLSRNI-UHFFFAOYSA-N 1 2 237.303 -0.571 20 0 BBADLO CN1CC(=O)N[C@@H]1c1c[nH+]c2n1CCC2 ZINC000663228001 412395453 /nfs/dbraw/zinc/39/54/53/412395453.db2.gz PMWDAYPZZLSPOK-JTQLQIEISA-N 1 2 206.249 -0.111 20 0 BBADLO CN1CC(=O)N[C@H]1c1c[nH+]c2n1CCC2 ZINC000663228003 412395785 /nfs/dbraw/zinc/39/57/85/412395785.db2.gz PMWDAYPZZLSPOK-SNVBAGLBSA-N 1 2 206.249 -0.111 20 0 BBADLO O=C(NCCn1cc[nH+]c1)N[C@H]1C[C@H](O)C1 ZINC000663242016 410086661 /nfs/dbraw/zinc/08/66/61/410086661.db2.gz KFUSXDVXSCJKFV-KYZUINATSA-N 1 2 224.264 -0.294 20 0 BBADLO O=C(NCC[NH+]1CCOCC1)N[C@H]1C[C@H](O)C1 ZINC000663242816 412399610 /nfs/dbraw/zinc/39/96/10/412399610.db2.gz UUSYFCAZJFRDER-MGCOHNPYSA-N 1 2 243.307 -0.859 20 0 BBADLO Cn1[nH]cnc1=NCc1c[nH+]c2n1CCC2 ZINC000663257810 412402748 /nfs/dbraw/zinc/40/27/48/412402748.db2.gz UXKUYGSDMFUWCO-UHFFFAOYSA-N 1 2 218.264 -0.008 20 0 BBADLO Cc1c(NCCO)nc[nH+]c1NCCO ZINC000663314239 412411513 /nfs/dbraw/zinc/41/15/13/412411513.db2.gz AZWFSGLREMUVDX-UHFFFAOYSA-N 1 2 212.253 -0.407 20 0 BBADLO Cc1[nH+]c(NCCO)nc(NCCO)c1F ZINC000663314474 411622045 /nfs/dbraw/zinc/62/20/45/411622045.db2.gz HLBHXBMIODXYEA-UHFFFAOYSA-N 1 2 230.243 -0.267 20 0 BBADLO Cc1c(N(C)CCO)nc[nH+]c1N(C)CCO ZINC000663315242 410108340 /nfs/dbraw/zinc/10/83/40/410108340.db2.gz RYHCUYANDXLZGT-UHFFFAOYSA-N 1 2 240.307 -0.358 20 0 BBADLO Cn1c(=O)cc(NCCn2cc[nH+]c2)n(C)c1=O ZINC000663333416 411626699 /nfs/dbraw/zinc/62/66/99/411626699.db2.gz GBEFKCSZRFPSKW-UHFFFAOYSA-N 1 2 249.274 -0.607 20 0 BBADLO CNC(=O)C[NH+]1CCN(c2ccc(C)nn2)CC1 ZINC000663345270 411632421 /nfs/dbraw/zinc/63/24/21/411632421.db2.gz HTGNSSWYCJNRAW-UHFFFAOYSA-N 1 2 249.318 -0.347 20 0 BBADLO Cc1ccc(N2CC[NH+](CC(N)=O)CC2)nn1 ZINC000663377106 411641816 /nfs/dbraw/zinc/64/18/16/411641816.db2.gz UYHNAGZMAJRAPC-UHFFFAOYSA-N 1 2 235.291 -0.608 20 0 BBADLO Cc1c(N2CC(O)C2)nc[nH+]c1N1CC(O)C1 ZINC000663529341 411699133 /nfs/dbraw/zinc/69/91/33/411699133.db2.gz AEIUUOXRQDKWBI-UHFFFAOYSA-N 1 2 236.275 -0.853 20 0 BBADLO Cn1cc[nH+]c1CNc1cc(=O)n(C)c(=O)n1C ZINC000663539221 411699904 /nfs/dbraw/zinc/69/99/04/411699904.db2.gz JPRNFHDENNZGJO-UHFFFAOYSA-N 1 2 249.274 -0.570 20 0 BBADLO CN(Cc1[nH]cc[nH+]1)c1cc(=O)n(C)c(=O)n1C ZINC000663617860 411709688 /nfs/dbraw/zinc/70/96/88/411709688.db2.gz OFRKGZDMQIQTCZ-UHFFFAOYSA-N 1 2 249.274 -0.557 20 0 BBADLO Cn1nnc2c1nc[nH+]c2N1CCOCCN1 ZINC000663898858 411769172 /nfs/dbraw/zinc/76/91/72/411769172.db2.gz BUGYLEOTKRYOMM-UHFFFAOYSA-N 1 2 235.251 -0.901 20 0 BBADLO Cn1nnc2c1nc[nH+]c2N1CCCCN1 ZINC000663904678 411770548 /nfs/dbraw/zinc/77/05/48/411770548.db2.gz HCAXTBLDXRNACA-UHFFFAOYSA-N 1 2 219.252 -0.137 20 0 BBADLO c1[nH]c2c([nH+]1)CCN(c1nccn3nnnc13)C2 ZINC000663918818 411775931 /nfs/dbraw/zinc/77/59/31/411775931.db2.gz FMFQQDVZIFVKGW-UHFFFAOYSA-N 1 2 242.246 -0.195 20 0 BBADLO C[C@@H](Nc1cc(=O)n(C)c(=O)n1C)c1[nH]cc[nH+]1 ZINC000663929717 411779230 /nfs/dbraw/zinc/77/92/30/411779230.db2.gz KIARCSTZJCWFFD-SSDOTTSWSA-N 1 2 249.274 -0.020 20 0 BBADLO Cc1nc(NCCn2cnnc2)nc(N(C)C)[nH+]1 ZINC000663949698 411788850 /nfs/dbraw/zinc/78/88/50/411788850.db2.gz DUIHCHRSPJNABW-UHFFFAOYSA-N 1 2 248.294 -0.050 20 0 BBADLO Cc1nc(N(C)C)nc(NCCn2cnnc2)[nH+]1 ZINC000663949698 411788847 /nfs/dbraw/zinc/78/88/47/411788847.db2.gz DUIHCHRSPJNABW-UHFFFAOYSA-N 1 2 248.294 -0.050 20 0 BBADLO Cn1c[nH+]cc1CCN1CCCS1(=O)=O ZINC000663950994 411788949 /nfs/dbraw/zinc/78/89/49/411788949.db2.gz NEQUFCKOIUMNAI-UHFFFAOYSA-N 1 2 229.305 -0.002 20 0 BBADLO CN(CCc1c[nH+]cn1C)S(C)(=O)=O ZINC000663969738 411788982 /nfs/dbraw/zinc/78/89/82/411788982.db2.gz GGBQGIBCWBXLCA-UHFFFAOYSA-N 1 2 217.294 -0.146 20 0 BBADLO Cc1cc(N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)nc[nH+]1 ZINC000663972489 411796528 /nfs/dbraw/zinc/79/65/28/411796528.db2.gz IRPUCQVNUKQMHV-OCAPTIKFSA-N 1 2 232.243 -0.506 20 0 BBADLO Cn1cc[nH+]c1CNC(=O)N[C@H]1C[C@H](O)C1 ZINC000663975630 411797513 /nfs/dbraw/zinc/79/75/13/411797513.db2.gz QKZHTJNIQOZETI-ZKCHVHJHSA-N 1 2 224.264 -0.257 20 0 BBADLO Cc1cc(N2CCOC[C@H]2CC(N)=O)nc[nH+]1 ZINC000663988522 411803533 /nfs/dbraw/zinc/80/35/33/411803533.db2.gz IHARZHVTDHXTIS-SECBINFHSA-N 1 2 236.275 -0.134 20 0 BBADLO Cc1cc(N2CCOC[C@@H]2CC(N)=O)nc[nH+]1 ZINC000663988523 411803829 /nfs/dbraw/zinc/80/38/29/411803829.db2.gz IHARZHVTDHXTIS-VIFPVBQESA-N 1 2 236.275 -0.134 20 0 BBADLO Cc1cc(N2CC[C@@H]3OCC(=O)N[C@H]3C2)nc[nH+]1 ZINC000663992174 411805154 /nfs/dbraw/zinc/80/51/54/411805154.db2.gz XLDMWNVRZKSECU-UWVGGRQHSA-N 1 2 248.286 -0.121 20 0 BBADLO Cn1c[nH+]cc1CCN1C(=O)[C@@H]2C[C@@H]2C1=O ZINC000664000052 411799846 /nfs/dbraw/zinc/79/98/46/411799846.db2.gz YFBZCSNNYAUZHT-DTORHVGOSA-N 1 2 219.244 -0.033 20 0 BBADLO Cn1cnn(CCc2c[nH+]cn2C)c1=O ZINC000664000055 488149207 /nfs/dbraw/zinc/14/92/07/488149207.db2.gz YGNFACZTYRZVGI-UHFFFAOYSA-N 1 2 207.237 -0.442 20 0 BBADLO Cc1cc(NC[C@@H](O)Cn2ccnn2)nc[nH+]1 ZINC000664000665 488149757 /nfs/dbraw/zinc/14/97/57/488149757.db2.gz AHAMPYRSCDMGTK-SECBINFHSA-N 1 2 234.263 -0.150 20 0 BBADLO Cc1cc(NC[C@H](O)Cn2ccnn2)nc[nH+]1 ZINC000664000666 488150217 /nfs/dbraw/zinc/15/02/17/488150217.db2.gz AHAMPYRSCDMGTK-VIFPVBQESA-N 1 2 234.263 -0.150 20 0 BBADLO Cc1cc(N(CCO)CCOCCO)nc[nH+]1 ZINC000664001689 411809847 /nfs/dbraw/zinc/80/98/47/411809847.db2.gz BCKJHWACZPFAEG-UHFFFAOYSA-N 1 2 241.291 -0.407 20 0 BBADLO Cn1c[nH+]cc1CCn1cnn(C)c1=O ZINC000664003847 411810767 /nfs/dbraw/zinc/81/07/67/411810767.db2.gz NNUIEKVUGDQIOT-UHFFFAOYSA-N 1 2 207.237 -0.442 20 0 BBADLO Cc1cc(N2CC(S(N)(=O)=O)C2)nc[nH+]1 ZINC000664015942 411814148 /nfs/dbraw/zinc/81/41/48/411814148.db2.gz HULJJJLFHZAYEC-UHFFFAOYSA-N 1 2 228.277 -0.738 20 0 BBADLO Cn1c[nH+]cc1CCn1c(=O)ncn1C ZINC000664022307 410433600 /nfs/dbraw/zinc/43/36/00/410433600.db2.gz OWVGCNFPVPCSEU-UHFFFAOYSA-N 1 2 207.237 -0.442 20 0 BBADLO Cn1c[nH+]cc1CCn1nnn(C2CC2)c1=O ZINC000664037409 411822250 /nfs/dbraw/zinc/82/22/50/411822250.db2.gz OLZBTIVMOIIFTB-UHFFFAOYSA-N 1 2 234.263 -0.249 20 0 BBADLO Cc1cn(C)c(=O)n(Cc2ccc[nH+]c2N)c1=O ZINC000664057658 411833652 /nfs/dbraw/zinc/83/36/52/411833652.db2.gz LREJQPGWVZCQGS-UHFFFAOYSA-N 1 2 246.270 -0.119 20 0 BBADLO Cc1cn(C)c(=O)n(CCc2c[nH+]cn2C)c1=O ZINC000664057824 411833434 /nfs/dbraw/zinc/83/34/34/411833434.db2.gz PGTRJWOLXXZFPD-UHFFFAOYSA-N 1 2 248.286 -0.168 20 0 BBADLO Cc1cn(C)c(=O)n(Cc2c[nH+]cn2C)c1=O ZINC000664059551 411834632 /nfs/dbraw/zinc/83/46/32/411834632.db2.gz BJBHOGFFLKNRPU-UHFFFAOYSA-N 1 2 234.259 -0.363 20 0 BBADLO Cn1c[nH+]cc1CN1CCCNS1(=O)=O ZINC000664059694 411835167 /nfs/dbraw/zinc/83/51/67/411835167.db2.gz AXEYWPJFDVHBLQ-UHFFFAOYSA-N 1 2 230.293 -0.540 20 0 BBADLO Cc1nn(CCc2c[nH+]cn2C)c(=O)n1C ZINC000664100927 411854336 /nfs/dbraw/zinc/85/43/36/411854336.db2.gz BMDJNXDRGPLDBY-UHFFFAOYSA-N 1 2 221.264 -0.134 20 0 BBADLO CN(Cc1c[nH]c[nH+]1)c1cc(=O)n(C)c(=O)n1C ZINC000664125857 411862841 /nfs/dbraw/zinc/86/28/41/411862841.db2.gz APHGSBAYSGUPRA-UHFFFAOYSA-N 1 2 249.274 -0.557 20 0 BBADLO CN(Cc1c[nH+]c[nH]1)c1cc(=O)n(C)c(=O)n1C ZINC000664125857 411862837 /nfs/dbraw/zinc/86/28/37/411862837.db2.gz APHGSBAYSGUPRA-UHFFFAOYSA-N 1 2 249.274 -0.557 20 0 BBADLO O=C1NCC[C@@H]1Nc1cc(-n2cc[nH+]c2)ncn1 ZINC000664132249 411864281 /nfs/dbraw/zinc/86/42/81/411864281.db2.gz CCTAKOXDWYEVEH-QMMMGPOBSA-N 1 2 244.258 -0.037 20 0 BBADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CCNC1=O ZINC000664132363 411864642 /nfs/dbraw/zinc/86/46/42/411864642.db2.gz GCDOTPCKXYEKBS-ZETCQYMHSA-N 1 2 232.247 -0.336 20 0 BBADLO Cn1ncc2c1nc(N)[nH+]c2N[C@H]1CCNC1=O ZINC000664133482 411864160 /nfs/dbraw/zinc/86/41/60/411864160.db2.gz HHRJBIXSUGNZQS-LURJTMIESA-N 1 2 247.262 -0.754 20 0 BBADLO O=C1NCC[C@@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000664134735 410463450 /nfs/dbraw/zinc/46/34/50/410463450.db2.gz NZBFREDZKIXXFP-LURJTMIESA-N 1 2 235.247 -0.419 20 0 BBADLO O=C1NCC[C@@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000664134735 410463442 /nfs/dbraw/zinc/46/34/42/410463442.db2.gz NZBFREDZKIXXFP-LURJTMIESA-N 1 2 235.247 -0.419 20 0 BBADLO O=C1NCC[C@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000664134737 410463420 /nfs/dbraw/zinc/46/34/20/410463420.db2.gz NZBFREDZKIXXFP-ZCFIWIBFSA-N 1 2 235.247 -0.419 20 0 BBADLO O=C1NCC[C@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000664134737 410463412 /nfs/dbraw/zinc/46/34/12/410463412.db2.gz NZBFREDZKIXXFP-ZCFIWIBFSA-N 1 2 235.247 -0.419 20 0 BBADLO Cn1ncc2c1nc(N[C@H]1CCNC1=O)[nH+]c2N ZINC000664134770 411866140 /nfs/dbraw/zinc/86/61/40/411866140.db2.gz OPWSJJMLOWADQF-LURJTMIESA-N 1 2 247.262 -0.754 20 0 BBADLO Cc1nc(N[C@H]2CCNC2=O)nc(N(C)C)[nH+]1 ZINC000664136173 411866823 /nfs/dbraw/zinc/86/68/23/411866823.db2.gz XVPRVVRSFOTVJT-ZETCQYMHSA-N 1 2 236.279 -0.454 20 0 BBADLO Cc1nc(N(C)C)nc(N[C@H]2CCNC2=O)[nH+]1 ZINC000664136173 411866820 /nfs/dbraw/zinc/86/68/20/411866820.db2.gz XVPRVVRSFOTVJT-ZETCQYMHSA-N 1 2 236.279 -0.454 20 0 BBADLO Cn1ncc2c1nc(NC/C=C\CO)[nH+]c2N ZINC000664235904 411892016 /nfs/dbraw/zinc/89/20/16/411892016.db2.gz KURPUJNAMHAAME-IHWYPQMZSA-N 1 2 234.263 -0.094 20 0 BBADLO Cn1ncc2c1nc(NC/C=C/CO)[nH+]c2N ZINC000664235905 411891974 /nfs/dbraw/zinc/89/19/74/411891974.db2.gz KURPUJNAMHAAME-NSCUHMNNSA-N 1 2 234.263 -0.094 20 0 BBADLO OC/C=C/CNc1[nH+]cnc2c1OCCN2 ZINC000664236420 411891729 /nfs/dbraw/zinc/89/17/29/411891729.db2.gz LLHWGEWAUHOTGK-OWOJBTEDSA-N 1 2 222.248 -0.646 20 0 BBADLO OC/C=C/CNc1nc[nH+]c2c1OCCN2 ZINC000664236420 411891727 /nfs/dbraw/zinc/89/17/27/411891727.db2.gz LLHWGEWAUHOTGK-OWOJBTEDSA-N 1 2 222.248 -0.646 20 0 BBADLO OC/C=C\CNc1[nH+]cnc2c1OCCN2 ZINC000664236434 411891790 /nfs/dbraw/zinc/89/17/90/411891790.db2.gz LLHWGEWAUHOTGK-UPHRSURJSA-N 1 2 222.248 -0.646 20 0 BBADLO OC/C=C\CNc1nc[nH+]c2c1OCCN2 ZINC000664236434 411891785 /nfs/dbraw/zinc/89/17/85/411891785.db2.gz LLHWGEWAUHOTGK-UPHRSURJSA-N 1 2 222.248 -0.646 20 0 BBADLO Cn1ncc2c1nc(N)[nH+]c2NC/C=C\CO ZINC000664237830 411894073 /nfs/dbraw/zinc/89/40/73/411894073.db2.gz UIWKBVAWIFIYCS-IHWYPQMZSA-N 1 2 234.263 -0.094 20 0 BBADLO Cn1ncc2c1nc(N)[nH+]c2NC/C=C/CO ZINC000664237831 411894230 /nfs/dbraw/zinc/89/42/30/411894230.db2.gz UIWKBVAWIFIYCS-NSCUHMNNSA-N 1 2 234.263 -0.094 20 0 BBADLO Cn1ncnc1C(=O)NCCCn1cc[nH+]c1 ZINC000664239783 411893721 /nfs/dbraw/zinc/89/37/21/411893721.db2.gz FUXIYNOBUPJPNW-UHFFFAOYSA-N 1 2 234.263 -0.168 20 0 BBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ncnn1C ZINC000664244008 410529481 /nfs/dbraw/zinc/52/94/81/410529481.db2.gz DHIJXNUTXYEFTC-MRVPVSSYSA-N 1 2 234.263 -0.170 20 0 BBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ncnn1C ZINC000664244011 410528892 /nfs/dbraw/zinc/52/88/92/410528892.db2.gz DHIJXNUTXYEFTC-QMMMGPOBSA-N 1 2 234.263 -0.170 20 0 BBADLO Cn1ncnc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000664250549 411897866 /nfs/dbraw/zinc/89/78/66/411897866.db2.gz QYVUQIXDZVQCSD-UHFFFAOYSA-N 1 2 235.291 -0.265 20 0 BBADLO CCn1cc[nH+]c1CNC(=O)c1ncnn1C ZINC000664276983 411910488 /nfs/dbraw/zinc/91/04/88/411910488.db2.gz ZSMCFTMAVLVINV-UHFFFAOYSA-N 1 2 234.263 -0.039 20 0 BBADLO COc1c(N)nc[nH+]c1N(C)Cc1cn(C)nn1 ZINC000664431592 487527000 /nfs/dbraw/zinc/52/70/00/487527000.db2.gz MHODXTMNLDIIBT-UHFFFAOYSA-N 1 2 249.278 -0.168 20 0 BBADLO COc1c(N)[nH+]cnc1N(C)Cc1cn(C)nn1 ZINC000664431592 487526991 /nfs/dbraw/zinc/52/69/91/487526991.db2.gz MHODXTMNLDIIBT-UHFFFAOYSA-N 1 2 249.278 -0.168 20 0 BBADLO O=C1CC[C@@H](CNc2nc[nH+]c3c2OCCN3)N1 ZINC000664473669 411969219 /nfs/dbraw/zinc/96/92/19/411969219.db2.gz URBZKDJUNRMVJZ-ZETCQYMHSA-N 1 2 249.274 -0.029 20 0 BBADLO O=C1CC[C@@H](CNc2[nH+]cnc3c2OCCN3)N1 ZINC000664473669 411969215 /nfs/dbraw/zinc/96/92/15/411969215.db2.gz URBZKDJUNRMVJZ-ZETCQYMHSA-N 1 2 249.274 -0.029 20 0 BBADLO Cn1ncc2c1nc(N)[nH+]c2N[C@H]1C[C@H](O)C1 ZINC000664642428 411959522 /nfs/dbraw/zinc/95/95/22/411959522.db2.gz 1 2 234.263 -0.119 20 0 BBADLO Cn1ncc2c1nc(N[C@H]1C[C@H](O)C1)[nH+]c2N ZINC000664643118 412002905 /nfs/dbraw/zinc/00/29/05/412002905.db2.gz QJHPOJHJCGYXIQ-IZLXSQMJSA-N 1 2 234.263 -0.119 20 0 BBADLO FCCOCCNc1nc[nH+]c2c1OCCN2 ZINC000664675866 412009258 /nfs/dbraw/zinc/00/92/58/412009258.db2.gz XJTOAPUCUFBWLQ-UHFFFAOYSA-N 1 2 242.254 -0.209 20 0 BBADLO FCCOCCNc1[nH+]cnc2c1OCCN2 ZINC000664675866 412009254 /nfs/dbraw/zinc/00/92/54/412009254.db2.gz XJTOAPUCUFBWLQ-UHFFFAOYSA-N 1 2 242.254 -0.209 20 0 BBADLO CC1(C)CNC(=O)C[N@H+]1C[C@@H]1COCCO1 ZINC000664766429 412019380 /nfs/dbraw/zinc/01/93/80/412019380.db2.gz PLTGKZUFUVKHLL-SECBINFHSA-N 1 2 228.292 -0.388 20 0 BBADLO CC1(C)CNC(=O)C[N@@H+]1C[C@@H]1COCCO1 ZINC000664766429 412019375 /nfs/dbraw/zinc/01/93/75/412019375.db2.gz PLTGKZUFUVKHLL-SECBINFHSA-N 1 2 228.292 -0.388 20 0 BBADLO CC1(C)CNC(=O)C[N@H+]1C[C@H]1COCCO1 ZINC000664766430 412019727 /nfs/dbraw/zinc/01/97/27/412019727.db2.gz PLTGKZUFUVKHLL-VIFPVBQESA-N 1 2 228.292 -0.388 20 0 BBADLO CC1(C)CNC(=O)C[N@@H+]1C[C@H]1COCCO1 ZINC000664766430 412019724 /nfs/dbraw/zinc/01/97/24/412019724.db2.gz PLTGKZUFUVKHLL-VIFPVBQESA-N 1 2 228.292 -0.388 20 0 BBADLO Cc1ncc(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)s1 ZINC000665040362 412064859 /nfs/dbraw/zinc/06/48/59/412064859.db2.gz QHUWIWUXMOXSTH-APPZFPTMSA-N 1 2 241.316 -0.128 20 0 BBADLO Cc1ncc(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)s1 ZINC000665040362 412064856 /nfs/dbraw/zinc/06/48/56/412064856.db2.gz QHUWIWUXMOXSTH-APPZFPTMSA-N 1 2 241.316 -0.128 20 0 BBADLO Cc1cccc(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)n1 ZINC000665041803 412064614 /nfs/dbraw/zinc/06/46/14/412064614.db2.gz XRXKZSYZDXPVDW-MNOVXSKESA-N 1 2 235.287 -0.189 20 0 BBADLO Cc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)n1 ZINC000665041803 412064612 /nfs/dbraw/zinc/06/46/12/412064612.db2.gz XRXKZSYZDXPVDW-MNOVXSKESA-N 1 2 235.287 -0.189 20 0 BBADLO Cc1ccncc1C[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665046013 412066322 /nfs/dbraw/zinc/06/63/22/412066322.db2.gz OTYAMPPYBVOFGY-MNOVXSKESA-N 1 2 235.287 -0.189 20 0 BBADLO Cc1ccncc1C[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665046013 412066318 /nfs/dbraw/zinc/06/63/18/412066318.db2.gz OTYAMPPYBVOFGY-MNOVXSKESA-N 1 2 235.287 -0.189 20 0 BBADLO Cc1cccnc1C[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665046633 412069215 /nfs/dbraw/zinc/06/92/15/412069215.db2.gz DHMKDAIZSDNDGK-KOLCDFICSA-N 1 2 235.287 -0.189 20 0 BBADLO Cc1cccnc1C[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665046633 412069209 /nfs/dbraw/zinc/06/92/09/412069209.db2.gz DHMKDAIZSDNDGK-KOLCDFICSA-N 1 2 235.287 -0.189 20 0 BBADLO Cc1ccnc(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)c1 ZINC000665047219 412069361 /nfs/dbraw/zinc/06/93/61/412069361.db2.gz IUFVBKPVVKKKET-MNOVXSKESA-N 1 2 235.287 -0.189 20 0 BBADLO Cc1ccnc(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)c1 ZINC000665047219 412069359 /nfs/dbraw/zinc/06/93/59/412069359.db2.gz IUFVBKPVVKKKET-MNOVXSKESA-N 1 2 235.287 -0.189 20 0 BBADLO Cc1cncc(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)c1 ZINC000665047375 412068650 /nfs/dbraw/zinc/06/86/50/412068650.db2.gz JVDFPGDLJQEIJG-MNOVXSKESA-N 1 2 235.287 -0.189 20 0 BBADLO Cc1cncc(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)c1 ZINC000665047375 412068645 /nfs/dbraw/zinc/06/86/45/412068645.db2.gz JVDFPGDLJQEIJG-MNOVXSKESA-N 1 2 235.287 -0.189 20 0 BBADLO Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)nc1 ZINC000665047753 412068660 /nfs/dbraw/zinc/06/86/60/412068660.db2.gz OPORHAIOAUTQTQ-MNOVXSKESA-N 1 2 235.287 -0.189 20 0 BBADLO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)nc1 ZINC000665047753 412068657 /nfs/dbraw/zinc/06/86/57/412068657.db2.gz OPORHAIOAUTQTQ-MNOVXSKESA-N 1 2 235.287 -0.189 20 0 BBADLO Cc1ncccc1C[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665047880 412068354 /nfs/dbraw/zinc/06/83/54/412068354.db2.gz VCWXEJMULDEVEY-MNOVXSKESA-N 1 2 235.287 -0.189 20 0 BBADLO Cc1ncccc1C[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665047880 412068351 /nfs/dbraw/zinc/06/83/51/412068351.db2.gz VCWXEJMULDEVEY-MNOVXSKESA-N 1 2 235.287 -0.189 20 0 BBADLO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCOCC(F)F ZINC000665047991 412067757 /nfs/dbraw/zinc/06/77/57/412067757.db2.gz PKRBFXPOXPYWHM-RQJHMYQMSA-N 1 2 238.234 -0.811 20 0 BBADLO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCOCC(F)F ZINC000665047991 412067753 /nfs/dbraw/zinc/06/77/53/412067753.db2.gz PKRBFXPOXPYWHM-RQJHMYQMSA-N 1 2 238.234 -0.811 20 0 BBADLO Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)cn1 ZINC000665048594 412067975 /nfs/dbraw/zinc/06/79/75/412067975.db2.gz MQFVUBTWEFYBIB-MNOVXSKESA-N 1 2 235.287 -0.189 20 0 BBADLO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)cn1 ZINC000665048594 412067970 /nfs/dbraw/zinc/06/79/70/412067970.db2.gz MQFVUBTWEFYBIB-MNOVXSKESA-N 1 2 235.287 -0.189 20 0 BBADLO COCn1ccc(C(=O)N2CC[NH+](C)CC2)n1 ZINC000665058977 412074239 /nfs/dbraw/zinc/07/42/39/412074239.db2.gz ISGPJHLKFAFHQZ-UHFFFAOYSA-N 1 2 238.291 -0.125 20 0 BBADLO C[NH+]1CCN(C(=O)c2ccn3nnnc3c2)CC1 ZINC000665059046 412073960 /nfs/dbraw/zinc/07/39/60/412073960.db2.gz LBSPQXQTCWETLE-UHFFFAOYSA-N 1 2 246.274 -0.488 20 0 BBADLO COC[C@@H](OC)C(=O)N1CC[NH+](C)CC1 ZINC000665059257 412074968 /nfs/dbraw/zinc/07/49/68/412074968.db2.gz VOHWOHGRPAWTCN-SECBINFHSA-N 1 2 216.281 -0.578 20 0 BBADLO COC[C@H](OC)C(=O)N1CC[NH+](C)CC1 ZINC000665059259 412075105 /nfs/dbraw/zinc/07/51/05/412075105.db2.gz VOHWOHGRPAWTCN-VIFPVBQESA-N 1 2 216.281 -0.578 20 0 BBADLO CO[C@@H](C(=O)N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000665059418 412075296 /nfs/dbraw/zinc/07/52/96/412075296.db2.gz KGUWTVAYPHPRPY-GHMZBOCLSA-N 1 2 242.319 -0.188 20 0 BBADLO CO[C@H](C(=O)N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000665059419 412075710 /nfs/dbraw/zinc/07/57/10/412075710.db2.gz KGUWTVAYPHPRPY-MNOVXSKESA-N 1 2 242.319 -0.188 20 0 BBADLO CO[C@H](C(=O)N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000665059420 412074785 /nfs/dbraw/zinc/07/47/85/412074785.db2.gz KGUWTVAYPHPRPY-QWRGUYRKSA-N 1 2 242.319 -0.188 20 0 BBADLO CO[C@@H](C(=O)N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000665059421 412075454 /nfs/dbraw/zinc/07/54/54/412075454.db2.gz KGUWTVAYPHPRPY-WDEREUQCSA-N 1 2 242.319 -0.188 20 0 BBADLO O=C(NCCCn1cc[nH+]c1)[C@H]1CC(=O)N1 ZINC000665106611 412096022 /nfs/dbraw/zinc/09/60/22/412096022.db2.gz QMZIRGKNAREKCE-MRVPVSSYSA-N 1 2 222.248 -0.722 20 0 BBADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CC(=O)N1 ZINC000665106615 412096196 /nfs/dbraw/zinc/09/61/96/412096196.db2.gz QMZIRGKNAREKCE-QMMMGPOBSA-N 1 2 222.248 -0.722 20 0 BBADLO Cn1c[nH+]c(CCNC(=O)N[C@H]2C[C@H](O)C2)c1 ZINC000665108616 412096224 /nfs/dbraw/zinc/09/62/24/412096224.db2.gz MAAWGIUZGVXOLV-MGCOHNPYSA-N 1 2 238.291 -0.215 20 0 BBADLO COC[C@H](OC)C(=O)NCC[NH+]1CCOCC1 ZINC000665128252 412102269 /nfs/dbraw/zinc/10/22/69/412102269.db2.gz GGIGSQDHLCZENW-JTQLQIEISA-N 1 2 246.307 -0.904 20 0 BBADLO COC[C@@H](OC)C(=O)NCC[NH+]1CCOCC1 ZINC000665128254 412101962 /nfs/dbraw/zinc/10/19/62/412101962.db2.gz GGIGSQDHLCZENW-SNVBAGLBSA-N 1 2 246.307 -0.904 20 0 BBADLO O=C(NCC[NH+]1CCOCC1)[C@@H](O)C1CC1 ZINC000665128618 412106483 /nfs/dbraw/zinc/10/64/83/412106483.db2.gz JNGJGNBCZVDVES-JTQLQIEISA-N 1 2 228.292 -0.794 20 0 BBADLO O=C(NCC[NH+]1CCOCC1)[C@H](O)C1CC1 ZINC000665128619 412105701 /nfs/dbraw/zinc/10/57/01/412105701.db2.gz JNGJGNBCZVDVES-SNVBAGLBSA-N 1 2 228.292 -0.794 20 0 BBADLO O=C(NCC[NH+]1CCOCC1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000665132458 412107148 /nfs/dbraw/zinc/10/71/48/412107148.db2.gz WHCFUPUIDKDSDG-URLYPYJESA-N 1 2 240.303 -0.673 20 0 BBADLO O=C(NCc1cn2ccccc2[nH+]1)[C@H]1CC(=O)N1 ZINC000665397874 412307820 /nfs/dbraw/zinc/30/78/20/412307820.db2.gz QYIMOMTVWHKKMB-SECBINFHSA-N 1 2 244.254 -0.161 20 0 BBADLO O=C(NCc1cn2ccccc2[nH+]1)[C@@H]1CC(=O)N1 ZINC000665397875 412308133 /nfs/dbraw/zinc/30/81/33/412308133.db2.gz QYIMOMTVWHKKMB-VIFPVBQESA-N 1 2 244.254 -0.161 20 0 BBADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CC(=O)N1 ZINC000665473503 412332086 /nfs/dbraw/zinc/33/20/86/412332086.db2.gz FKTHYCQGZUYYDT-SSDOTTSWSA-N 1 2 222.248 -0.733 20 0 BBADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CC(=O)N1 ZINC000665473504 412332664 /nfs/dbraw/zinc/33/26/64/412332664.db2.gz FKTHYCQGZUYYDT-ZETCQYMHSA-N 1 2 222.248 -0.733 20 0 BBADLO CN(CCO)c1[nH+]cnc2c1OCCN2 ZINC000665688589 487987868 /nfs/dbraw/zinc/98/78/68/487987868.db2.gz AVOFWXCURBWZPZ-UHFFFAOYSA-N 1 2 210.237 -0.291 20 0 BBADLO CN(CCO)c1nc[nH+]c2c1OCCN2 ZINC000665688589 487987863 /nfs/dbraw/zinc/98/78/63/487987863.db2.gz AVOFWXCURBWZPZ-UHFFFAOYSA-N 1 2 210.237 -0.291 20 0 BBADLO CN(C)C(=O)CNc1[nH+]cnc2c1OCCN2 ZINC000665688920 487730534 /nfs/dbraw/zinc/73/05/34/487730534.db2.gz IJBVVKMLTKJQND-UHFFFAOYSA-N 1 2 237.263 -0.219 20 0 BBADLO CN(C)C(=O)CNc1nc[nH+]c2c1OCCN2 ZINC000665688920 487730530 /nfs/dbraw/zinc/73/05/30/487730530.db2.gz IJBVVKMLTKJQND-UHFFFAOYSA-N 1 2 237.263 -0.219 20 0 BBADLO CCNC(=O)CNc1[nH+]cnc2c1OCCN2 ZINC000665688943 487730578 /nfs/dbraw/zinc/73/05/78/487730578.db2.gz QLYAASOLFYMGEB-UHFFFAOYSA-N 1 2 237.263 -0.171 20 0 BBADLO CCNC(=O)CNc1nc[nH+]c2c1OCCN2 ZINC000665688943 487730573 /nfs/dbraw/zinc/73/05/73/487730573.db2.gz QLYAASOLFYMGEB-UHFFFAOYSA-N 1 2 237.263 -0.171 20 0 BBADLO O=C(CNc1[nH+]cnc2c1OCCN2)NC1CC1 ZINC000665689196 487730908 /nfs/dbraw/zinc/73/09/08/487730908.db2.gz BDAYCUQWUFXKCB-UHFFFAOYSA-N 1 2 249.274 -0.029 20 0 BBADLO O=C(CNc1nc[nH+]c2c1OCCN2)NC1CC1 ZINC000665689196 487730901 /nfs/dbraw/zinc/73/09/01/487730901.db2.gz BDAYCUQWUFXKCB-UHFFFAOYSA-N 1 2 249.274 -0.029 20 0 BBADLO CNC(=O)CN(C)c1[nH+]cnc2c1OCCN2 ZINC000665689345 487730744 /nfs/dbraw/zinc/73/07/44/487730744.db2.gz SHQPXECZQPBQGE-UHFFFAOYSA-N 1 2 237.263 -0.537 20 0 BBADLO CNC(=O)CN(C)c1nc[nH+]c2c1OCCN2 ZINC000665689345 487730739 /nfs/dbraw/zinc/73/07/39/487730739.db2.gz SHQPXECZQPBQGE-UHFFFAOYSA-N 1 2 237.263 -0.537 20 0 BBADLO c1cnn(CCNc2nc[nH+]c3c2OCCN3)c1 ZINC000665693936 487732981 /nfs/dbraw/zinc/73/29/81/487732981.db2.gz WWGFTZNEQSWNBO-UHFFFAOYSA-N 1 2 246.274 -0.298 20 0 BBADLO c1cnn(CCNc2[nH+]cnc3c2OCCN3)c1 ZINC000665693936 487732977 /nfs/dbraw/zinc/73/29/77/487732977.db2.gz WWGFTZNEQSWNBO-UHFFFAOYSA-N 1 2 246.274 -0.298 20 0 BBADLO OC1CN(c2[nH+]cnc3c2OCCN3)C1 ZINC000665697855 487732872 /nfs/dbraw/zinc/73/28/72/487732872.db2.gz RVSGXMKAKAUILS-UHFFFAOYSA-N 1 2 208.221 -0.538 20 0 BBADLO OC1CN(c2nc[nH+]c3c2OCCN3)C1 ZINC000665697855 487732866 /nfs/dbraw/zinc/73/28/66/487732866.db2.gz RVSGXMKAKAUILS-UHFFFAOYSA-N 1 2 208.221 -0.538 20 0 BBADLO C[C@@H](O)CCNc1nc[nH+]c2c1OCCN2 ZINC000665701297 487734405 /nfs/dbraw/zinc/73/44/05/487734405.db2.gz GQQLEUAPRNRPFK-SSDOTTSWSA-N 1 2 224.264 -0.424 20 0 BBADLO C[C@@H](O)CCNc1[nH+]cnc2c1OCCN2 ZINC000665701297 487734399 /nfs/dbraw/zinc/73/43/99/487734399.db2.gz GQQLEUAPRNRPFK-SSDOTTSWSA-N 1 2 224.264 -0.424 20 0 BBADLO C[C@H](O)CCNc1nc[nH+]c2c1OCCN2 ZINC000665701298 487734223 /nfs/dbraw/zinc/73/42/23/487734223.db2.gz GQQLEUAPRNRPFK-ZETCQYMHSA-N 1 2 224.264 -0.424 20 0 BBADLO C[C@H](O)CCNc1[nH+]cnc2c1OCCN2 ZINC000665701298 487734219 /nfs/dbraw/zinc/73/42/19/487734219.db2.gz GQQLEUAPRNRPFK-ZETCQYMHSA-N 1 2 224.264 -0.424 20 0 BBADLO CN1C[C@H](Nc2[nH+]cnc3c2OCCN3)CC1=O ZINC000665701971 487734820 /nfs/dbraw/zinc/73/48/20/487734820.db2.gz VJHUVMRMNKUIMB-SSDOTTSWSA-N 1 2 249.274 -0.077 20 0 BBADLO CN1C[C@H](Nc2nc[nH+]c3c2OCCN3)CC1=O ZINC000665701971 487734815 /nfs/dbraw/zinc/73/48/15/487734815.db2.gz VJHUVMRMNKUIMB-SSDOTTSWSA-N 1 2 249.274 -0.077 20 0 BBADLO CN1C[C@@H](Nc2[nH+]cnc3c2OCCN3)CC1=O ZINC000665701972 487734923 /nfs/dbraw/zinc/73/49/23/487734923.db2.gz VJHUVMRMNKUIMB-ZETCQYMHSA-N 1 2 249.274 -0.077 20 0 BBADLO CN1C[C@@H](Nc2nc[nH+]c3c2OCCN3)CC1=O ZINC000665701972 487734921 /nfs/dbraw/zinc/73/49/21/487734921.db2.gz VJHUVMRMNKUIMB-ZETCQYMHSA-N 1 2 249.274 -0.077 20 0 BBADLO CN1CCN(c2[nH+]cnc3c2OCCN3)CC1=O ZINC000665702072 487735278 /nfs/dbraw/zinc/73/52/78/487735278.db2.gz HNUMTHPHWJTESU-UHFFFAOYSA-N 1 2 249.274 -0.441 20 0 BBADLO CN1CCN(c2nc[nH+]c3c2OCCN3)CC1=O ZINC000665702072 487735274 /nfs/dbraw/zinc/73/52/74/487735274.db2.gz HNUMTHPHWJTESU-UHFFFAOYSA-N 1 2 249.274 -0.441 20 0 BBADLO C[C@@H](CC(N)=O)Nc1[nH+]cnc2c1OCCN2 ZINC000665702809 490209325 /nfs/dbraw/zinc/20/93/25/490209325.db2.gz NYMGSGYDBQZGRC-LURJTMIESA-N 1 2 237.263 -0.043 20 0 BBADLO C[C@@H](CC(N)=O)Nc1nc[nH+]c2c1OCCN2 ZINC000665702809 490209320 /nfs/dbraw/zinc/20/93/20/490209320.db2.gz NYMGSGYDBQZGRC-LURJTMIESA-N 1 2 237.263 -0.043 20 0 BBADLO C[C@H](CC(N)=O)Nc1[nH+]cnc2c1OCCN2 ZINC000665702810 490209399 /nfs/dbraw/zinc/20/93/99/490209399.db2.gz NYMGSGYDBQZGRC-ZCFIWIBFSA-N 1 2 237.263 -0.043 20 0 BBADLO C[C@H](CC(N)=O)Nc1nc[nH+]c2c1OCCN2 ZINC000665702810 490209396 /nfs/dbraw/zinc/20/93/96/490209396.db2.gz NYMGSGYDBQZGRC-ZCFIWIBFSA-N 1 2 237.263 -0.043 20 0 BBADLO OCC(CO)Nc1[nH+]cnc2c1OCCN2 ZINC000665703131 487734977 /nfs/dbraw/zinc/73/49/77/487734977.db2.gz BTDBVQYXXFOUHC-UHFFFAOYSA-N 1 2 226.236 -0.954 20 0 BBADLO OCC(CO)Nc1nc[nH+]c2c1OCCN2 ZINC000665703131 487734973 /nfs/dbraw/zinc/73/49/73/487734973.db2.gz BTDBVQYXXFOUHC-UHFFFAOYSA-N 1 2 226.236 -0.954 20 0 BBADLO CC[C@@H](O)CCNc1nc[nH+]c2c1OCCN2 ZINC000665706951 487735481 /nfs/dbraw/zinc/73/54/81/487735481.db2.gz NTUAWWVNRAHOHY-MRVPVSSYSA-N 1 2 238.291 -0.034 20 0 BBADLO CC[C@@H](O)CCNc1[nH+]cnc2c1OCCN2 ZINC000665706951 487735473 /nfs/dbraw/zinc/73/54/73/487735473.db2.gz NTUAWWVNRAHOHY-MRVPVSSYSA-N 1 2 238.291 -0.034 20 0 BBADLO CC[C@H](O)CCNc1nc[nH+]c2c1OCCN2 ZINC000665706952 487735781 /nfs/dbraw/zinc/73/57/81/487735781.db2.gz NTUAWWVNRAHOHY-QMMMGPOBSA-N 1 2 238.291 -0.034 20 0 BBADLO CC[C@H](O)CCNc1[nH+]cnc2c1OCCN2 ZINC000665706952 487735779 /nfs/dbraw/zinc/73/57/79/487735779.db2.gz NTUAWWVNRAHOHY-QMMMGPOBSA-N 1 2 238.291 -0.034 20 0 BBADLO OC[C@@H](O)CNc1[nH+]cnc2c1OCCN2 ZINC000665707736 487736667 /nfs/dbraw/zinc/73/66/67/487736667.db2.gz ZQRFAKFMWAZDHT-LURJTMIESA-N 1 2 226.236 -0.954 20 0 BBADLO OC[C@@H](O)CNc1nc[nH+]c2c1OCCN2 ZINC000665707736 487736660 /nfs/dbraw/zinc/73/66/60/487736660.db2.gz ZQRFAKFMWAZDHT-LURJTMIESA-N 1 2 226.236 -0.954 20 0 BBADLO OC[C@H](O)CNc1[nH+]cnc2c1OCCN2 ZINC000665707737 487736278 /nfs/dbraw/zinc/73/62/78/487736278.db2.gz ZQRFAKFMWAZDHT-ZCFIWIBFSA-N 1 2 226.236 -0.954 20 0 BBADLO OC[C@H](O)CNc1nc[nH+]c2c1OCCN2 ZINC000665707737 487736273 /nfs/dbraw/zinc/73/62/73/487736273.db2.gz ZQRFAKFMWAZDHT-ZCFIWIBFSA-N 1 2 226.236 -0.954 20 0 BBADLO CN(c1[nH+]cnc2c1OCCN2)[C@@H]1CCNC1=O ZINC000665709254 487735859 /nfs/dbraw/zinc/73/58/59/487735859.db2.gz UZUPHDDYAJSGDN-SSDOTTSWSA-N 1 2 249.274 -0.394 20 0 BBADLO CN(c1nc[nH+]c2c1OCCN2)[C@@H]1CCNC1=O ZINC000665709254 487735853 /nfs/dbraw/zinc/73/58/53/487735853.db2.gz UZUPHDDYAJSGDN-SSDOTTSWSA-N 1 2 249.274 -0.394 20 0 BBADLO CN(c1[nH+]cnc2c1OCCN2)[C@H]1CCNC1=O ZINC000665709255 487736147 /nfs/dbraw/zinc/73/61/47/487736147.db2.gz UZUPHDDYAJSGDN-ZETCQYMHSA-N 1 2 249.274 -0.394 20 0 BBADLO CN(c1nc[nH+]c2c1OCCN2)[C@H]1CCNC1=O ZINC000665709255 487736144 /nfs/dbraw/zinc/73/61/44/487736144.db2.gz UZUPHDDYAJSGDN-ZETCQYMHSA-N 1 2 249.274 -0.394 20 0 BBADLO O=C1C[C@H](Nc2[nH+]cnc3c2OCCN3)CN1 ZINC000665710531 487997068 /nfs/dbraw/zinc/99/70/68/487997068.db2.gz PJJDOEOGYUTIPN-LURJTMIESA-N 1 2 235.247 -0.419 20 0 BBADLO O=C1C[C@H](Nc2nc[nH+]c3c2OCCN3)CN1 ZINC000665710531 487997063 /nfs/dbraw/zinc/99/70/63/487997063.db2.gz PJJDOEOGYUTIPN-LURJTMIESA-N 1 2 235.247 -0.419 20 0 BBADLO O=C1C[C@@H](Nc2[nH+]cnc3c2OCCN3)CN1 ZINC000665710532 487997039 /nfs/dbraw/zinc/99/70/39/487997039.db2.gz PJJDOEOGYUTIPN-ZCFIWIBFSA-N 1 2 235.247 -0.419 20 0 BBADLO O=C1C[C@@H](Nc2nc[nH+]c3c2OCCN3)CN1 ZINC000665710532 487997031 /nfs/dbraw/zinc/99/70/31/487997031.db2.gz PJJDOEOGYUTIPN-ZCFIWIBFSA-N 1 2 235.247 -0.419 20 0 BBADLO CC(C)(O)CCNc1nc[nH+]c2c1OCCN2 ZINC000665712312 487737316 /nfs/dbraw/zinc/73/73/16/487737316.db2.gz XZQHPEDTSVOHKD-UHFFFAOYSA-N 1 2 238.291 -0.034 20 0 BBADLO CC(C)(O)CCNc1[nH+]cnc2c1OCCN2 ZINC000665712312 487737314 /nfs/dbraw/zinc/73/73/14/487737314.db2.gz XZQHPEDTSVOHKD-UHFFFAOYSA-N 1 2 238.291 -0.034 20 0 BBADLO OCCCCNc1nc[nH+]c2c1OCCN2 ZINC000665715233 487737976 /nfs/dbraw/zinc/73/79/76/487737976.db2.gz IPPRHSPRUFPHAU-UHFFFAOYSA-N 1 2 224.264 -0.422 20 0 BBADLO OCCCCNc1[nH+]cnc2c1OCCN2 ZINC000665715233 487737970 /nfs/dbraw/zinc/73/79/70/487737970.db2.gz IPPRHSPRUFPHAU-UHFFFAOYSA-N 1 2 224.264 -0.422 20 0 BBADLO Cn1nnc(CNc2[nH+]cnc3c2OCCN3)n1 ZINC000665715308 487737235 /nfs/dbraw/zinc/73/72/35/487737235.db2.gz DCEACEDGDHCGET-UHFFFAOYSA-N 1 2 248.250 -0.584 20 0 BBADLO Cn1nnc(CNc2nc[nH+]c3c2OCCN3)n1 ZINC000665715308 487737234 /nfs/dbraw/zinc/73/72/34/487737234.db2.gz DCEACEDGDHCGET-UHFFFAOYSA-N 1 2 248.250 -0.584 20 0 BBADLO C[C@@H](O)CCCNc1nc[nH+]c2c1OCCN2 ZINC000665715406 487737354 /nfs/dbraw/zinc/73/73/54/487737354.db2.gz XFCFJVLUBKVLKB-MRVPVSSYSA-N 1 2 238.291 -0.034 20 0 BBADLO C[C@@H](O)CCCNc1[nH+]cnc2c1OCCN2 ZINC000665715406 487737351 /nfs/dbraw/zinc/73/73/51/487737351.db2.gz XFCFJVLUBKVLKB-MRVPVSSYSA-N 1 2 238.291 -0.034 20 0 BBADLO C[C@H](O)CCCNc1nc[nH+]c2c1OCCN2 ZINC000665715407 487737499 /nfs/dbraw/zinc/73/74/99/487737499.db2.gz XFCFJVLUBKVLKB-QMMMGPOBSA-N 1 2 238.291 -0.034 20 0 BBADLO C[C@H](O)CCCNc1[nH+]cnc2c1OCCN2 ZINC000665715407 487737496 /nfs/dbraw/zinc/73/74/96/487737496.db2.gz XFCFJVLUBKVLKB-QMMMGPOBSA-N 1 2 238.291 -0.034 20 0 BBADLO OCCCCCNc1nc[nH+]c2c1OCCN2 ZINC000665715759 487739438 /nfs/dbraw/zinc/73/94/38/487739438.db2.gz MJIPQMVZBPAYMR-UHFFFAOYSA-N 1 2 238.291 -0.032 20 0 BBADLO OCCCCCNc1[nH+]cnc2c1OCCN2 ZINC000665715759 487739434 /nfs/dbraw/zinc/73/94/34/487739434.db2.gz MJIPQMVZBPAYMR-UHFFFAOYSA-N 1 2 238.291 -0.032 20 0 BBADLO COC[C@@H](CO)Nc1[nH+]cnc2c1OCCN2 ZINC000665715904 487739201 /nfs/dbraw/zinc/73/92/01/487739201.db2.gz POXRQWQJEWBGQG-SSDOTTSWSA-N 1 2 240.263 -0.300 20 0 BBADLO COC[C@@H](CO)Nc1nc[nH+]c2c1OCCN2 ZINC000665715904 487739195 /nfs/dbraw/zinc/73/91/95/487739195.db2.gz POXRQWQJEWBGQG-SSDOTTSWSA-N 1 2 240.263 -0.300 20 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ZINC000665720561 487740420 /nfs/dbraw/zinc/74/04/20/487740420.db2.gz DTHUFEWCJJXDJC-LURJTMIESA-N 1 2 237.263 -0.173 20 0 BBADLO CNC(=O)[C@H](C)Nc1nc[nH+]c2c1OCCN2 ZINC000665720561 487740417 /nfs/dbraw/zinc/74/04/17/487740417.db2.gz DTHUFEWCJJXDJC-LURJTMIESA-N 1 2 237.263 -0.173 20 0 BBADLO C[C@@H]1CN(c2[nH+]cnc3c2OCCN3)CC(=O)N1 ZINC000665722110 487740518 /nfs/dbraw/zinc/74/05/18/487740518.db2.gz RWJVTQYRBBRYFM-SSDOTTSWSA-N 1 2 249.274 -0.394 20 0 BBADLO C[C@@H]1CN(c2nc[nH+]c3c2OCCN3)CC(=O)N1 ZINC000665722110 487740517 /nfs/dbraw/zinc/74/05/17/487740517.db2.gz RWJVTQYRBBRYFM-SSDOTTSWSA-N 1 2 249.274 -0.394 20 0 BBADLO C[C@H]1CN(c2[nH+]cnc3c2OCCN3)CC(=O)N1 ZINC000665722111 487739642 /nfs/dbraw/zinc/73/96/42/487739642.db2.gz RWJVTQYRBBRYFM-ZETCQYMHSA-N 1 2 249.274 -0.394 20 0 BBADLO C[C@H]1CN(c2nc[nH+]c3c2OCCN3)CC(=O)N1 ZINC000665722111 487739640 /nfs/dbraw/zinc/73/96/40/487739640.db2.gz RWJVTQYRBBRYFM-ZETCQYMHSA-N 1 2 249.274 -0.394 20 0 BBADLO O[C@@H]1COC[C@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000665722382 487739771 /nfs/dbraw/zinc/73/97/71/487739771.db2.gz PJHWNIKJXOHTQM-RNFRBKRXSA-N 1 2 238.247 -0.548 20 0 BBADLO O[C@@H]1COC[C@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000665722382 487739766 /nfs/dbraw/zinc/73/97/66/487739766.db2.gz PJHWNIKJXOHTQM-RNFRBKRXSA-N 1 2 238.247 -0.548 20 0 BBADLO C[C@@H](O)[C@@H](CO)Nc1[nH+]cnc2c1OCCN2 ZINC000665739987 537875742 /nfs/dbraw/zinc/87/57/42/537875742.db2.gz WNKOLSLYRCTJEB-RNFRBKRXSA-N 1 2 240.263 -0.566 20 0 BBADLO C[C@@H](O)[C@@H](CO)Nc1nc[nH+]c2c1OCCN2 ZINC000665739987 537875736 /nfs/dbraw/zinc/87/57/36/537875736.db2.gz WNKOLSLYRCTJEB-RNFRBKRXSA-N 1 2 240.263 -0.566 20 0 BBADLO O=C1C[C@@H](CNc2nc[nH+]c3c2OCCN3)CN1 ZINC000665743871 487720547 /nfs/dbraw/zinc/72/05/47/487720547.db2.gz DVOSTDIMBMYROO-SSDOTTSWSA-N 1 2 249.274 -0.171 20 0 BBADLO O=C1C[C@@H](CNc2[nH+]cnc3c2OCCN3)CN1 ZINC000665743871 487720539 /nfs/dbraw/zinc/72/05/39/487720539.db2.gz DVOSTDIMBMYROO-SSDOTTSWSA-N 1 2 249.274 -0.171 20 0 BBADLO O=C1C[C@H](CNc2nc[nH+]c3c2OCCN3)CN1 ZINC000665743872 487720570 /nfs/dbraw/zinc/72/05/70/487720570.db2.gz DVOSTDIMBMYROO-ZETCQYMHSA-N 1 2 249.274 -0.171 20 0 BBADLO O=C1C[C@H](CNc2[nH+]cnc3c2OCCN3)CN1 ZINC000665743872 487720562 /nfs/dbraw/zinc/72/05/62/487720562.db2.gz DVOSTDIMBMYROO-ZETCQYMHSA-N 1 2 249.274 -0.171 20 0 BBADLO CN(C)c1ccc(CNC(=O)[C@H]2CC(=O)N2)c[nH+]1 ZINC000666249111 487769750 /nfs/dbraw/zinc/76/97/50/487769750.db2.gz UOFYYKHWBZCSTI-SECBINFHSA-N 1 2 248.286 -0.348 20 0 BBADLO CN(C)c1ccc(CNC(=O)[C@@H]2CC(=O)N2)c[nH+]1 ZINC000666249112 487769394 /nfs/dbraw/zinc/76/93/94/487769394.db2.gz UOFYYKHWBZCSTI-VIFPVBQESA-N 1 2 248.286 -0.348 20 0 BBADLO CN1C[C@H](C(=O)NCCn2cc[nH+]c2)NC1=O ZINC000666352416 487792281 /nfs/dbraw/zinc/79/22/81/487792281.db2.gz SEGQWAHFLJJXAZ-MRVPVSSYSA-N 1 2 237.263 -0.977 20 0 BBADLO CN1C[C@@H](C(=O)NCCn2cc[nH+]c2)NC1=O ZINC000666352417 487791931 /nfs/dbraw/zinc/79/19/31/487791931.db2.gz SEGQWAHFLJJXAZ-QMMMGPOBSA-N 1 2 237.263 -0.977 20 0 BBADLO Cc1ncc(C(=O)NCCn2cc[nH+]c2)c(N)n1 ZINC000666352676 490204374 /nfs/dbraw/zinc/20/43/74/490204374.db2.gz ZMMKEBIFBLKRPF-UHFFFAOYSA-N 1 2 246.274 -0.006 20 0 BBADLO O=C(NCCn1cc[nH+]c1)C1(n2cnnn2)CC1 ZINC000666352816 487792309 /nfs/dbraw/zinc/79/23/09/487792309.db2.gz FLDTWNKQRRFWSU-UHFFFAOYSA-N 1 2 247.262 -0.825 20 0 BBADLO O=C(NCCn1cc[nH+]c1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000666353247 487791983 /nfs/dbraw/zinc/79/19/83/487791983.db2.gz QWTICMKCQUCIRE-MYJAWHEDSA-N 1 2 221.260 -0.108 20 0 BBADLO O=C(NCCn1cc[nH+]c1)[C@H](O)C1CC1 ZINC000666353424 487792818 /nfs/dbraw/zinc/79/28/18/487792818.db2.gz WYJXVWXZSFXJPT-SECBINFHSA-N 1 2 209.249 -0.230 20 0 BBADLO O=C(NCCn1cc[nH+]c1)[C@@H](O)C1CC1 ZINC000666353425 487793421 /nfs/dbraw/zinc/79/34/21/487793421.db2.gz WYJXVWXZSFXJPT-VIFPVBQESA-N 1 2 209.249 -0.230 20 0 BBADLO COC[C@@H](OC)C(=O)NCCn1cc[nH+]c1 ZINC000666353460 487792709 /nfs/dbraw/zinc/79/27/09/487792709.db2.gz YDBVMORUHRRUIO-SECBINFHSA-N 1 2 227.264 -0.339 20 0 BBADLO COC[C@H](OC)C(=O)NCCn1cc[nH+]c1 ZINC000666353461 487793255 /nfs/dbraw/zinc/79/32/55/487793255.db2.gz YDBVMORUHRRUIO-VIFPVBQESA-N 1 2 227.264 -0.339 20 0 BBADLO CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CC(=O)N1 ZINC000666367025 487795353 /nfs/dbraw/zinc/79/53/53/487795353.db2.gz SBFWCUWCKBLABS-SECBINFHSA-N 1 2 248.286 -0.348 20 0 BBADLO CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1CC(=O)N1 ZINC000666367026 487795863 /nfs/dbraw/zinc/79/58/63/487795863.db2.gz SBFWCUWCKBLABS-VIFPVBQESA-N 1 2 248.286 -0.348 20 0 BBADLO CN(Cc1c[nH]c[nH+]1)C(=O)N=c1nc[nH]n1C ZINC000666421230 487804155 /nfs/dbraw/zinc/80/41/55/487804155.db2.gz ANITYUXIRIBOPC-UHFFFAOYSA-N 1 2 235.251 -0.376 20 0 BBADLO CN(Cc1c[nH+]c[nH]1)C(=O)N=c1nc[nH]n1C ZINC000666421230 487804149 /nfs/dbraw/zinc/80/41/49/487804149.db2.gz ANITYUXIRIBOPC-UHFFFAOYSA-N 1 2 235.251 -0.376 20 0 BBADLO C[C@@H](NC(=O)N=c1nc[nH]n1C)c1[nH+]ccn1C ZINC000666422521 490210744 /nfs/dbraw/zinc/21/07/44/490210744.db2.gz NNDWOYCWDVZSGG-SSDOTTSWSA-N 1 2 249.278 -0.147 20 0 BBADLO C[C@H](NC(=O)N=c1nc[nH]n1C)c1[nH+]ccn1C ZINC000666422522 490210684 /nfs/dbraw/zinc/21/06/84/490210684.db2.gz NNDWOYCWDVZSGG-ZETCQYMHSA-N 1 2 249.278 -0.147 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](O)C1CC1 ZINC000666429785 487807435 /nfs/dbraw/zinc/80/74/35/487807435.db2.gz LVUHFIHMRYIHEQ-GXSJLCMTSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](O)C1CC1 ZINC000666429786 487807421 /nfs/dbraw/zinc/80/74/21/487807421.db2.gz LVUHFIHMRYIHEQ-KOLCDFICSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](O)C1CC1 ZINC000666429787 487807808 /nfs/dbraw/zinc/80/78/08/487807808.db2.gz LVUHFIHMRYIHEQ-MWLCHTKSSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H](O)C1CC1 ZINC000666429788 487807863 /nfs/dbraw/zinc/80/78/63/487807863.db2.gz LVUHFIHMRYIHEQ-ONGXEEELSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC(=O)N1 ZINC000666449568 487811868 /nfs/dbraw/zinc/81/18/68/487811868.db2.gz GFZWLXNTNPAFFO-HTQZYQBOSA-N 1 2 222.248 -0.724 20 0 BBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC(=O)N1 ZINC000666449569 487811860 /nfs/dbraw/zinc/81/18/60/487811860.db2.gz GFZWLXNTNPAFFO-JGVFFNPUSA-N 1 2 222.248 -0.724 20 0 BBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC(=O)N1 ZINC000666449570 487811183 /nfs/dbraw/zinc/81/11/83/487811183.db2.gz GFZWLXNTNPAFFO-SFYZADRCSA-N 1 2 222.248 -0.724 20 0 BBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC(=O)N1 ZINC000666449571 487811892 /nfs/dbraw/zinc/81/18/92/487811892.db2.gz GFZWLXNTNPAFFO-YUMQZZPRSA-N 1 2 222.248 -0.724 20 0 BBADLO Cc1cc(NC(=O)N[C@H]2CCNC2=O)cc[nH+]1 ZINC000666490037 487821016 /nfs/dbraw/zinc/82/10/16/487821016.db2.gz MEMYUEGHDPXSGN-VIFPVBQESA-N 1 2 234.259 -0.178 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CCNC1=O ZINC000666492429 487820649 /nfs/dbraw/zinc/82/06/49/487820649.db2.gz FNVPMTZAYVDWSB-VIFPVBQESA-N 1 2 234.259 -0.178 20 0 BBADLO C[NH+](C)C1(C(=O)NCCCS(C)(=O)=O)CC1 ZINC000666917639 487904365 /nfs/dbraw/zinc/90/43/65/487904365.db2.gz YVJQQGUIVWGEHZ-UHFFFAOYSA-N 1 2 248.348 -0.369 20 0 BBADLO CN(C)c1[nH+]cccc1NC(=O)[C@H]1CC(=O)N1 ZINC000667000608 487926019 /nfs/dbraw/zinc/92/60/19/487926019.db2.gz ITXYPVNWOAKTEB-MRVPVSSYSA-N 1 2 234.259 -0.025 20 0 BBADLO CN(C)c1[nH+]cccc1NC(=O)[C@@H]1CC(=O)N1 ZINC000667000609 487926028 /nfs/dbraw/zinc/92/60/28/487926028.db2.gz ITXYPVNWOAKTEB-QMMMGPOBSA-N 1 2 234.259 -0.025 20 0 BBADLO C[N@@H+](CC(N)=O)Cc1cnn2c1CCC2 ZINC000667495981 488028840 /nfs/dbraw/zinc/02/88/40/488028840.db2.gz DPJASDCQSQCHRV-UHFFFAOYSA-N 1 2 208.265 -0.254 20 0 BBADLO C[N@H+](CC(N)=O)Cc1cnn2c1CCC2 ZINC000667495981 488028834 /nfs/dbraw/zinc/02/88/34/488028834.db2.gz DPJASDCQSQCHRV-UHFFFAOYSA-N 1 2 208.265 -0.254 20 0 BBADLO C[N@H+]1CCO[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC000667606116 488057989 /nfs/dbraw/zinc/05/79/89/488057989.db2.gz XCWKIQVMMCYHAN-MRVPVSSYSA-N 1 2 224.264 -0.530 20 0 BBADLO C[N@@H+]1CCO[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC000667606116 488057986 /nfs/dbraw/zinc/05/79/86/488057986.db2.gz XCWKIQVMMCYHAN-MRVPVSSYSA-N 1 2 224.264 -0.530 20 0 BBADLO C[N@H+]1CCO[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC000667606117 488058453 /nfs/dbraw/zinc/05/84/53/488058453.db2.gz XCWKIQVMMCYHAN-QMMMGPOBSA-N 1 2 224.264 -0.530 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC000667606117 488058449 /nfs/dbraw/zinc/05/84/49/488058449.db2.gz XCWKIQVMMCYHAN-QMMMGPOBSA-N 1 2 224.264 -0.530 20 0 BBADLO C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000667606137 488058632 /nfs/dbraw/zinc/05/86/32/488058632.db2.gz XPEDSFJARGBWRD-UKKRHICBSA-N 1 2 240.303 -0.674 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000667606137 488058629 /nfs/dbraw/zinc/05/86/29/488058629.db2.gz XPEDSFJARGBWRD-UKKRHICBSA-N 1 2 240.303 -0.674 20 0 BBADLO C[N@H+]1CCO[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000667606138 488058098 /nfs/dbraw/zinc/05/80/98/488058098.db2.gz XPEDSFJARGBWRD-ZNSHCXBVSA-N 1 2 240.303 -0.674 20 0 BBADLO C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000667606138 488058095 /nfs/dbraw/zinc/05/80/95/488058095.db2.gz XPEDSFJARGBWRD-ZNSHCXBVSA-N 1 2 240.303 -0.674 20 0 BBADLO O[C@@H]1C[N@H+](Cc2cn(C3CCC3)nn2)C[C@@H]1O ZINC000667649267 488071745 /nfs/dbraw/zinc/07/17/45/488071745.db2.gz NQUCMLQICUICRQ-PHIMTYICSA-N 1 2 238.291 -0.460 20 0 BBADLO O[C@@H]1C[N@@H+](Cc2cn(C3CCC3)nn2)C[C@@H]1O ZINC000667649267 488071740 /nfs/dbraw/zinc/07/17/40/488071740.db2.gz NQUCMLQICUICRQ-PHIMTYICSA-N 1 2 238.291 -0.460 20 0 BBADLO O=C([C@@H]1CC(=O)N1)N1CCC(n2cc[nH+]c2)CC1 ZINC000667667691 488081207 /nfs/dbraw/zinc/08/12/07/488081207.db2.gz TXIXEDHMHCZESC-JTQLQIEISA-N 1 2 248.286 -0.065 20 0 BBADLO O=C([C@H]1CC(=O)N1)N1CCC(n2cc[nH+]c2)CC1 ZINC000667667692 488080547 /nfs/dbraw/zinc/08/05/47/488080547.db2.gz TXIXEDHMHCZESC-SNVBAGLBSA-N 1 2 248.286 -0.065 20 0 BBADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CC(=O)N1 ZINC000667679344 488084606 /nfs/dbraw/zinc/08/46/06/488084606.db2.gz CCSZDIKWBJLYCP-LURJTMIESA-N 1 2 221.216 -0.083 20 0 BBADLO COc1cc[nH+]cc1NC(=O)[C@H]1CC(=O)N1 ZINC000667679345 488084238 /nfs/dbraw/zinc/08/42/38/488084238.db2.gz CCSZDIKWBJLYCP-ZCFIWIBFSA-N 1 2 221.216 -0.083 20 0 BBADLO C[C@@H]1C[N@@H+](CCNC(=O)c2ncc[nH]2)CCO1 ZINC000667816105 488128081 /nfs/dbraw/zinc/12/80/81/488128081.db2.gz KDLCNBFTXURKCX-SECBINFHSA-N 1 2 238.291 -0.140 20 0 BBADLO C[C@@H]1C[N@H+](CCNC(=O)c2ncc[nH]2)CCO1 ZINC000667816105 488128078 /nfs/dbraw/zinc/12/80/78/488128078.db2.gz KDLCNBFTXURKCX-SECBINFHSA-N 1 2 238.291 -0.140 20 0 BBADLO C[C@H]1C[N@@H+](CCNC(=O)c2ncc[nH]2)CCO1 ZINC000667816106 488127691 /nfs/dbraw/zinc/12/76/91/488127691.db2.gz KDLCNBFTXURKCX-VIFPVBQESA-N 1 2 238.291 -0.140 20 0 BBADLO C[C@H]1C[N@H+](CCNC(=O)c2ncc[nH]2)CCO1 ZINC000667816106 488127685 /nfs/dbraw/zinc/12/76/85/488127685.db2.gz KDLCNBFTXURKCX-VIFPVBQESA-N 1 2 238.291 -0.140 20 0 BBADLO C[C@H]1C[N@@H+](CCNC(=O)[C@H](O)C2CC2)CCO1 ZINC000667816507 488128146 /nfs/dbraw/zinc/12/81/46/488128146.db2.gz VEAZKDAUZJNTBX-GXSJLCMTSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H]1C[N@H+](CCNC(=O)[C@H](O)C2CC2)CCO1 ZINC000667816507 488128140 /nfs/dbraw/zinc/12/81/40/488128140.db2.gz VEAZKDAUZJNTBX-GXSJLCMTSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H](O)C2CC2)CCO1 ZINC000667816508 488127980 /nfs/dbraw/zinc/12/79/80/488127980.db2.gz VEAZKDAUZJNTBX-KOLCDFICSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H](O)C2CC2)CCO1 ZINC000667816508 488127975 /nfs/dbraw/zinc/12/79/75/488127975.db2.gz VEAZKDAUZJNTBX-KOLCDFICSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@H](O)C2CC2)CCO1 ZINC000667816509 488124722 /nfs/dbraw/zinc/12/47/22/488124722.db2.gz VEAZKDAUZJNTBX-MWLCHTKSSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@@H]1C[N@H+](CCNC(=O)[C@H](O)C2CC2)CCO1 ZINC000667816509 488124717 /nfs/dbraw/zinc/12/47/17/488124717.db2.gz VEAZKDAUZJNTBX-MWLCHTKSSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H]1C[N@@H+](CCNC(=O)[C@@H](O)C2CC2)CCO1 ZINC000667816510 488124963 /nfs/dbraw/zinc/12/49/63/488124963.db2.gz VEAZKDAUZJNTBX-ONGXEEELSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H]1C[N@H+](CCNC(=O)[C@@H](O)C2CC2)CCO1 ZINC000667816510 488124958 /nfs/dbraw/zinc/12/49/58/488124958.db2.gz VEAZKDAUZJNTBX-ONGXEEELSA-N 1 2 242.319 -0.406 20 0 BBADLO CN(CC[NH+]1CCOCC1)C(=O)[C@H](O)C1CC1 ZINC000667999281 488181042 /nfs/dbraw/zinc/18/10/42/488181042.db2.gz AEOYMCAAZHJHCJ-LLVKDONJSA-N 1 2 242.319 -0.452 20 0 BBADLO CN(CC[NH+]1CCOCC1)C(=O)[C@@H](O)C1CC1 ZINC000667999282 488180273 /nfs/dbraw/zinc/18/02/73/488180273.db2.gz AEOYMCAAZHJHCJ-NSHDSACASA-N 1 2 242.319 -0.452 20 0 BBADLO CN(CC[NH+]1CCOCC1)C(=O)c1ncc[nH]1 ZINC000668000846 488180189 /nfs/dbraw/zinc/18/01/89/488180189.db2.gz XUIPJIKQXJWZDU-UHFFFAOYSA-N 1 2 238.291 -0.186 20 0 BBADLO C[NH+](C)C1(C(=O)N2CCS(=O)(=O)CC2)CC1 ZINC000668061329 488196503 /nfs/dbraw/zinc/19/65/03/488196503.db2.gz DXYKSCMWJUHNOQ-UHFFFAOYSA-N 1 2 246.332 -0.662 20 0 BBADLO C[C@@H]([NH2+]Cc1cc2n(n1)CCC2)C(N)=O ZINC000668072272 488197825 /nfs/dbraw/zinc/19/78/25/488197825.db2.gz BZDDZZPFMVEEAQ-SSDOTTSWSA-N 1 2 208.265 -0.207 20 0 BBADLO Cn1nnc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)n1 ZINC000668080405 488199014 /nfs/dbraw/zinc/19/90/14/488199014.db2.gz CCMCFVKLHLESCX-BDAKNGLRSA-N 1 2 223.280 -0.133 20 0 BBADLO Cn1nnc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)n1 ZINC000668080406 488198697 /nfs/dbraw/zinc/19/86/97/488198697.db2.gz CCMCFVKLHLESCX-DTWKUNHWSA-N 1 2 223.280 -0.133 20 0 BBADLO Cn1nnc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)n1 ZINC000668080407 488198584 /nfs/dbraw/zinc/19/85/84/488198584.db2.gz CCMCFVKLHLESCX-IUCAKERBSA-N 1 2 223.280 -0.133 20 0 BBADLO Cn1nnc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)n1 ZINC000668080408 488198705 /nfs/dbraw/zinc/19/87/05/488198705.db2.gz CCMCFVKLHLESCX-RKDXNWHRSA-N 1 2 223.280 -0.133 20 0 BBADLO O=C([C@@H]1CC(=O)N1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000668085277 488199749 /nfs/dbraw/zinc/19/97/49/488199749.db2.gz IZNQOWHYJZDLKQ-JTQLQIEISA-N 1 2 247.254 -0.440 20 0 BBADLO O=C([C@H]1CC(=O)N1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000668085278 488199688 /nfs/dbraw/zinc/19/96/88/488199688.db2.gz IZNQOWHYJZDLKQ-SNVBAGLBSA-N 1 2 247.254 -0.440 20 0 BBADLO O=C([C@H]1CC(=O)N1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000668191970 488218273 /nfs/dbraw/zinc/21/82/73/488218273.db2.gz QTZBFNSANHJSPB-NXEZZACHSA-N 1 2 248.286 -0.065 20 0 BBADLO O=C([C@@H]1CC(=O)N1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000668191971 488218857 /nfs/dbraw/zinc/21/88/57/488218857.db2.gz QTZBFNSANHJSPB-UWVGGRQHSA-N 1 2 248.286 -0.065 20 0 BBADLO O=C([C@H]1CC(=O)N1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000668191972 488218849 /nfs/dbraw/zinc/21/88/49/488218849.db2.gz QTZBFNSANHJSPB-VHSXEESVSA-N 1 2 248.286 -0.065 20 0 BBADLO O=C([C@@H]1CC(=O)N1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000668191973 488218548 /nfs/dbraw/zinc/21/85/48/488218548.db2.gz QTZBFNSANHJSPB-ZJUUUORDSA-N 1 2 248.286 -0.065 20 0 BBADLO Cn1cc[nH+]c1CNC(=O)[C@H](O)C1CC1 ZINC000668193345 488219922 /nfs/dbraw/zinc/21/99/22/488219922.db2.gz BCOJXESACNPORH-SECBINFHSA-N 1 2 209.249 -0.193 20 0 BBADLO Cn1cc[nH+]c1CNC(=O)[C@@H](O)C1CC1 ZINC000668193346 488220125 /nfs/dbraw/zinc/22/01/25/488220125.db2.gz BCOJXESACNPORH-VIFPVBQESA-N 1 2 209.249 -0.193 20 0 BBADLO Cn1cc[nH+]c1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC000668193356 488219834 /nfs/dbraw/zinc/21/98/34/488219834.db2.gz BJPDBNFZHVUPTI-SSDOTTSWSA-N 1 2 237.263 -0.940 20 0 BBADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000668193357 488219536 /nfs/dbraw/zinc/21/95/36/488219536.db2.gz BJPDBNFZHVUPTI-ZETCQYMHSA-N 1 2 237.263 -0.940 20 0 BBADLO Cn1cc[nH+]c1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000668193660 488219788 /nfs/dbraw/zinc/21/97/88/488219788.db2.gz LJISKICMAOLGGM-MBTKJCJQSA-N 1 2 221.260 -0.071 20 0 BBADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@H](O)C1CC1 ZINC000668254010 487558511 /nfs/dbraw/zinc/55/85/11/487558511.db2.gz NIFZOTZBQHSRFD-GXSJLCMTSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](O)C1CC1 ZINC000668254010 487558506 /nfs/dbraw/zinc/55/85/06/487558506.db2.gz NIFZOTZBQHSRFD-GXSJLCMTSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](O)C1CC1 ZINC000668254011 487558920 /nfs/dbraw/zinc/55/89/20/487558920.db2.gz NIFZOTZBQHSRFD-KOLCDFICSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](O)C1CC1 ZINC000668254011 487558916 /nfs/dbraw/zinc/55/89/16/487558916.db2.gz NIFZOTZBQHSRFD-KOLCDFICSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](O)C1CC1 ZINC000668254012 487559276 /nfs/dbraw/zinc/55/92/76/487559276.db2.gz NIFZOTZBQHSRFD-MWLCHTKSSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](O)C1CC1 ZINC000668254012 487559271 /nfs/dbraw/zinc/55/92/71/487559271.db2.gz NIFZOTZBQHSRFD-MWLCHTKSSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H](O)C1CC1 ZINC000668254013 487558901 /nfs/dbraw/zinc/55/89/01/487558901.db2.gz NIFZOTZBQHSRFD-ONGXEEELSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H](O)C1CC1 ZINC000668254013 487558895 /nfs/dbraw/zinc/55/88/95/487558895.db2.gz NIFZOTZBQHSRFD-ONGXEEELSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ncc[nH]1 ZINC000668254866 487560988 /nfs/dbraw/zinc/56/09/88/487560988.db2.gz JKSKKQRMEXRXRP-SECBINFHSA-N 1 2 238.291 -0.140 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ncc[nH]1 ZINC000668254866 487560983 /nfs/dbraw/zinc/56/09/83/487560983.db2.gz JKSKKQRMEXRXRP-SECBINFHSA-N 1 2 238.291 -0.140 20 0 BBADLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ncc[nH]1 ZINC000668254867 487561025 /nfs/dbraw/zinc/56/10/25/487561025.db2.gz JKSKKQRMEXRXRP-VIFPVBQESA-N 1 2 238.291 -0.140 20 0 BBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ncc[nH]1 ZINC000668254867 487561023 /nfs/dbraw/zinc/56/10/23/487561023.db2.gz JKSKKQRMEXRXRP-VIFPVBQESA-N 1 2 238.291 -0.140 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)C1(n2cnnn2)CC1 ZINC000668419492 487721599 /nfs/dbraw/zinc/72/15/99/487721599.db2.gz DXRYVKSTBPUWBW-UHFFFAOYSA-N 1 2 244.258 -0.074 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CN(C)C(=O)N1 ZINC000668419672 487721998 /nfs/dbraw/zinc/72/19/98/487721998.db2.gz IVLTXKTWTOTLSX-SECBINFHSA-N 1 2 234.259 -0.226 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000668419673 487722171 /nfs/dbraw/zinc/72/21/71/487722171.db2.gz IVLTXKTWTOTLSX-VIFPVBQESA-N 1 2 234.259 -0.226 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCNC1=O ZINC000668419828 487722131 /nfs/dbraw/zinc/72/21/31/487722131.db2.gz NEYCYCKKERQPGC-MRVPVSSYSA-N 1 2 219.244 -0.113 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCNC1=O ZINC000668419829 487722382 /nfs/dbraw/zinc/72/23/82/487722382.db2.gz NEYCYCKKERQPGC-QMMMGPOBSA-N 1 2 219.244 -0.113 20 0 BBADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1(n2cnnn2)CC1 ZINC000668447891 487769516 /nfs/dbraw/zinc/76/95/16/487769516.db2.gz DKGASUFGOBTEGI-UHFFFAOYSA-N 1 2 247.262 -0.456 20 0 BBADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC000668447930 487769549 /nfs/dbraw/zinc/76/95/49/487769549.db2.gz FOYCILMJNVFGDD-SSDOTTSWSA-N 1 2 237.263 -0.608 20 0 BBADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC000668447931 487769656 /nfs/dbraw/zinc/76/96/56/487769656.db2.gz FOYCILMJNVFGDD-ZETCQYMHSA-N 1 2 237.263 -0.608 20 0 BBADLO CCNC(=O)C[NH2+]Cc1nccnc1OC ZINC000668511274 487870497 /nfs/dbraw/zinc/87/04/97/487870497.db2.gz FHEOILJSFAUUNW-UHFFFAOYSA-N 1 2 224.264 -0.289 20 0 BBADLO CCNC(=O)C[NH2+]Cc1cc(C)n(C)n1 ZINC000668512610 487873183 /nfs/dbraw/zinc/87/31/83/487873183.db2.gz SXYBAWUREQGUFV-UHFFFAOYSA-N 1 2 210.281 -0.046 20 0 BBADLO O=C(NCCc1[nH]cc[nH+]1)[C@H](O)C1CC1 ZINC000668535793 487898557 /nfs/dbraw/zinc/89/85/57/487898557.db2.gz LLMQEBMXGJMXFG-SECBINFHSA-N 1 2 209.249 -0.161 20 0 BBADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H](O)C1CC1 ZINC000668535794 487899060 /nfs/dbraw/zinc/89/90/60/487899060.db2.gz LLMQEBMXGJMXFG-VIFPVBQESA-N 1 2 209.249 -0.161 20 0 BBADLO CN1C[C@H](C(=O)NCCc2[nH]cc[nH+]2)NC1=O ZINC000668536634 487900357 /nfs/dbraw/zinc/90/03/57/487900357.db2.gz WFPXYJWNFYLWDH-SSDOTTSWSA-N 1 2 237.263 -0.908 20 0 BBADLO CN1C[C@@H](C(=O)NCCc2[nH]cc[nH+]2)NC1=O ZINC000668536635 487900331 /nfs/dbraw/zinc/90/03/31/487900331.db2.gz WFPXYJWNFYLWDH-ZETCQYMHSA-N 1 2 237.263 -0.908 20 0 BBADLO CN1C[C@@H](C(=O)NCc2[nH]cc[nH+]2)NC1=O ZINC000668604991 487998491 /nfs/dbraw/zinc/99/84/91/487998491.db2.gz ZFVDIRIGUQTZAR-LURJTMIESA-N 1 2 223.236 -0.951 20 0 BBADLO CN1C[C@H](C(=O)NCc2[nH]cc[nH+]2)NC1=O ZINC000668604992 487997895 /nfs/dbraw/zinc/99/78/95/487997895.db2.gz ZFVDIRIGUQTZAR-ZCFIWIBFSA-N 1 2 223.236 -0.951 20 0 BBADLO Cc1cc(NC(=O)[C@H]2CN(C)C(=O)N2)cc[nH+]1 ZINC000668635620 488034599 /nfs/dbraw/zinc/03/45/99/488034599.db2.gz MEENPELOQYBWHF-SECBINFHSA-N 1 2 234.259 -0.226 20 0 BBADLO Cc1cc(NC(=O)[C@@H]2CN(C)C(=O)N2)cc[nH+]1 ZINC000668635622 488034859 /nfs/dbraw/zinc/03/48/59/488034859.db2.gz MEENPELOQYBWHF-VIFPVBQESA-N 1 2 234.259 -0.226 20 0 BBADLO Cc1cc(NC(=O)C2(n3cnnn3)CC2)cc[nH+]1 ZINC000668636477 488034881 /nfs/dbraw/zinc/03/48/81/488034881.db2.gz VDRACNMYIQHPJP-UHFFFAOYSA-N 1 2 244.258 -0.074 20 0 BBADLO COCC[NH+]1CCN(C(=O)[C@H](O)C2CC2)CC1 ZINC000668667570 488083571 /nfs/dbraw/zinc/08/35/71/488083571.db2.gz BZKPKAIZDPQSDG-LLVKDONJSA-N 1 2 242.319 -0.452 20 0 BBADLO COCC[NH+]1CCN(C(=O)[C@@H](O)C2CC2)CC1 ZINC000668667572 488083799 /nfs/dbraw/zinc/08/37/99/488083799.db2.gz BZKPKAIZDPQSDG-NSHDSACASA-N 1 2 242.319 -0.452 20 0 BBADLO COCC[NH+]1CCN(C(=O)c2ncc[nH]2)CC1 ZINC000668669656 490496624 /nfs/dbraw/zinc/49/66/24/490496624.db2.gz XIXILLXEJMTTRA-UHFFFAOYSA-N 1 2 238.291 -0.186 20 0 BBADLO O=C(NCCCCn1cc[nH+]c1)[C@H]1CC(=O)N1 ZINC000668689148 488118098 /nfs/dbraw/zinc/11/80/98/488118098.db2.gz WZKIPGRVAZYGAP-SECBINFHSA-N 1 2 236.275 -0.332 20 0 BBADLO O=C(NCCCCn1cc[nH+]c1)[C@@H]1CC(=O)N1 ZINC000668689151 488117896 /nfs/dbraw/zinc/11/78/96/488117896.db2.gz WZKIPGRVAZYGAP-VIFPVBQESA-N 1 2 236.275 -0.332 20 0 BBADLO C[C@H](CS(C)(=O)=O)NC(=O)C1([NH+](C)C)CC1 ZINC000668733957 488175902 /nfs/dbraw/zinc/17/59/02/488175902.db2.gz QMJFXYAYQBSXTI-MRVPVSSYSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@@H](CS(C)(=O)=O)NC(=O)C1([NH+](C)C)CC1 ZINC000668733958 488175635 /nfs/dbraw/zinc/17/56/35/488175635.db2.gz QMJFXYAYQBSXTI-QMMMGPOBSA-N 1 2 248.348 -0.370 20 0 BBADLO COC[C@H](OC)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000668758855 487492146 /nfs/dbraw/zinc/49/21/46/487492146.db2.gz LLLRSNANKWJSAC-JTQLQIEISA-N 1 2 239.275 -0.072 20 0 BBADLO COC[C@@H](OC)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000668758856 487492177 /nfs/dbraw/zinc/49/21/77/487492177.db2.gz LLLRSNANKWJSAC-SNVBAGLBSA-N 1 2 239.275 -0.072 20 0 BBADLO O=C([C@H]1CC(=O)N1)N1CC(n2cc[nH+]c2)C1 ZINC000668759717 487494111 /nfs/dbraw/zinc/49/41/11/487494111.db2.gz MJRJSHGJIOOKFY-MRVPVSSYSA-N 1 2 220.232 -0.845 20 0 BBADLO O=C([C@@H]1CC(=O)N1)N1CC(n2cc[nH+]c2)C1 ZINC000668759718 487493932 /nfs/dbraw/zinc/49/39/32/487493932.db2.gz MJRJSHGJIOOKFY-QMMMGPOBSA-N 1 2 220.232 -0.845 20 0 BBADLO CN1C[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)NC1=O ZINC000668759797 487493888 /nfs/dbraw/zinc/49/38/88/487493888.db2.gz OAGOBPZXYRTEHO-SECBINFHSA-N 1 2 249.274 -0.710 20 0 BBADLO CN1C[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)NC1=O ZINC000668759798 487494103 /nfs/dbraw/zinc/49/41/03/487494103.db2.gz OAGOBPZXYRTEHO-VIFPVBQESA-N 1 2 249.274 -0.710 20 0 BBADLO CNC(=O)C[N@@H+](C)Cc1c(C)cnn1C ZINC000668788008 487532682 /nfs/dbraw/zinc/53/26/82/487532682.db2.gz IYXNGVUCKQMNRY-UHFFFAOYSA-N 1 2 210.281 -0.094 20 0 BBADLO CNC(=O)C[N@H+](C)Cc1c(C)cnn1C ZINC000668788008 487532681 /nfs/dbraw/zinc/53/26/81/487532681.db2.gz IYXNGVUCKQMNRY-UHFFFAOYSA-N 1 2 210.281 -0.094 20 0 BBADLO CCn1nncc1C[N@H+]1CCc2nn[nH]c2C1 ZINC000668790257 487541094 /nfs/dbraw/zinc/54/10/94/487541094.db2.gz MOTKBLBMNVWDFT-UHFFFAOYSA-N 1 2 233.279 -0.026 20 0 BBADLO CCn1nncc1C[N@@H+]1CCc2nn[nH]c2C1 ZINC000668790257 487541086 /nfs/dbraw/zinc/54/10/86/487541086.db2.gz MOTKBLBMNVWDFT-UHFFFAOYSA-N 1 2 233.279 -0.026 20 0 BBADLO CNC(=O)C[N@@H+](C)Cc1ccc(CO)o1 ZINC000668790364 487541257 /nfs/dbraw/zinc/54/12/57/487541257.db2.gz MRMIFBZLJXUEAT-UHFFFAOYSA-N 1 2 212.249 -0.050 20 0 BBADLO CNC(=O)C[N@H+](C)Cc1ccc(CO)o1 ZINC000668790364 487541252 /nfs/dbraw/zinc/54/12/52/487541252.db2.gz MRMIFBZLJXUEAT-UHFFFAOYSA-N 1 2 212.249 -0.050 20 0 BBADLO CNC(=O)C[N@@H+](C)Cc1cnn(CCOC)c1 ZINC000668790369 487541555 /nfs/dbraw/zinc/54/15/55/487541555.db2.gz NGVLTNIIPDQPDV-UHFFFAOYSA-N 1 2 240.307 -0.293 20 0 BBADLO CNC(=O)C[N@H+](C)Cc1cnn(CCOC)c1 ZINC000668790369 487541552 /nfs/dbraw/zinc/54/15/52/487541552.db2.gz NGVLTNIIPDQPDV-UHFFFAOYSA-N 1 2 240.307 -0.293 20 0 BBADLO CNC(=O)C[N@@H+](C)Cc1cnc2cnccn12 ZINC000668790573 487542572 /nfs/dbraw/zinc/54/25/72/487542572.db2.gz PKGXJJRLAWDRSI-UHFFFAOYSA-N 1 2 233.275 -0.093 20 0 BBADLO CNC(=O)C[N@H+](C)Cc1cnc2cnccn12 ZINC000668790573 487542567 /nfs/dbraw/zinc/54/25/67/487542567.db2.gz PKGXJJRLAWDRSI-UHFFFAOYSA-N 1 2 233.275 -0.093 20 0 BBADLO CNC(=O)C[N@@H+](C)Cc1cn(C)nc1C ZINC000668791109 487544541 /nfs/dbraw/zinc/54/45/41/487544541.db2.gz XATLSFOKEIJSQB-UHFFFAOYSA-N 1 2 210.281 -0.094 20 0 BBADLO CNC(=O)C[N@H+](C)Cc1cn(C)nc1C ZINC000668791109 487544537 /nfs/dbraw/zinc/54/45/37/487544537.db2.gz XATLSFOKEIJSQB-UHFFFAOYSA-N 1 2 210.281 -0.094 20 0 BBADLO O=C(NCCCNc1cccc[nH+]1)[C@H]1CC(=O)N1 ZINC000668896569 487728199 /nfs/dbraw/zinc/72/81/99/487728199.db2.gz WUSDJOKLEHMVQU-SECBINFHSA-N 1 2 248.286 -0.112 20 0 BBADLO O=C(NCCCNc1cccc[nH+]1)[C@@H]1CC(=O)N1 ZINC000668896570 487728051 /nfs/dbraw/zinc/72/80/51/487728051.db2.gz WUSDJOKLEHMVQU-VIFPVBQESA-N 1 2 248.286 -0.112 20 0 BBADLO CN1C[C@H](C(=O)NCc2c[nH]c[nH+]2)NC1=O ZINC000668995540 487843905 /nfs/dbraw/zinc/84/39/05/487843905.db2.gz NNGJJHCHACRNER-SSDOTTSWSA-N 1 2 223.236 -0.951 20 0 BBADLO CN1C[C@H](C(=O)NCc2c[nH+]c[nH]2)NC1=O ZINC000668995540 487843902 /nfs/dbraw/zinc/84/39/02/487843902.db2.gz NNGJJHCHACRNER-SSDOTTSWSA-N 1 2 223.236 -0.951 20 0 BBADLO CN1C[C@@H](C(=O)NCc2c[nH]c[nH+]2)NC1=O ZINC000668995541 487843959 /nfs/dbraw/zinc/84/39/59/487843959.db2.gz NNGJJHCHACRNER-ZETCQYMHSA-N 1 2 223.236 -0.951 20 0 BBADLO CN1C[C@@H](C(=O)NCc2c[nH+]c[nH]2)NC1=O ZINC000668995541 487843956 /nfs/dbraw/zinc/84/39/56/487843956.db2.gz NNGJJHCHACRNER-ZETCQYMHSA-N 1 2 223.236 -0.951 20 0 BBADLO C[C@H](CNC(=O)[C@@H]1CC(=O)N1)Cn1cc[nH+]c1 ZINC000669017758 490167366 /nfs/dbraw/zinc/16/73/66/490167366.db2.gz GDQVMFWUPGOOMG-BDAKNGLRSA-N 1 2 236.275 -0.476 20 0 BBADLO C[C@@H](CNC(=O)[C@H]1CC(=O)N1)Cn1cc[nH+]c1 ZINC000669017759 490167824 /nfs/dbraw/zinc/16/78/24/490167824.db2.gz GDQVMFWUPGOOMG-DTWKUNHWSA-N 1 2 236.275 -0.476 20 0 BBADLO C[C@@H](CNC(=O)[C@@H]1CC(=O)N1)Cn1cc[nH+]c1 ZINC000669017760 490167012 /nfs/dbraw/zinc/16/70/12/490167012.db2.gz GDQVMFWUPGOOMG-IUCAKERBSA-N 1 2 236.275 -0.476 20 0 BBADLO C[C@H](CNC(=O)[C@H]1CC(=O)N1)Cn1cc[nH+]c1 ZINC000669017761 490167836 /nfs/dbraw/zinc/16/78/36/490167836.db2.gz GDQVMFWUPGOOMG-RKDXNWHRSA-N 1 2 236.275 -0.476 20 0 BBADLO C[NH+](C)C1(C(=O)N2CCc3[nH]nnc3C2)CC1 ZINC000669272900 488154450 /nfs/dbraw/zinc/15/44/50/488154450.db2.gz IICUXWJWLWVRKW-UHFFFAOYSA-N 1 2 235.291 -0.216 20 0 BBADLO Cc1c[nH]nc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000669448607 487893848 /nfs/dbraw/zinc/89/38/48/487893848.db2.gz XOVZTEITCLKBSK-JTQLQIEISA-N 1 2 249.318 -0.552 20 0 BBADLO Cc1c[nH]nc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000669448608 487893756 /nfs/dbraw/zinc/89/37/56/487893756.db2.gz XOVZTEITCLKBSK-SNVBAGLBSA-N 1 2 249.318 -0.552 20 0 BBADLO COC[C@H](C)C[NH+]1CC(S(C)(=O)=O)C1 ZINC000669571272 487519668 /nfs/dbraw/zinc/51/96/68/487519668.db2.gz DYWNPMCCVCRVOR-MRVPVSSYSA-N 1 2 221.322 -0.002 20 0 BBADLO COC[C@@H](C)C[NH+]1CC(S(C)(=O)=O)C1 ZINC000669571273 487519593 /nfs/dbraw/zinc/51/95/93/487519593.db2.gz DYWNPMCCVCRVOR-QMMMGPOBSA-N 1 2 221.322 -0.002 20 0 BBADLO Cc1c[nH]nc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000669599120 487729909 /nfs/dbraw/zinc/72/99/09/487729909.db2.gz AWBWVIHKWXZFAM-SECBINFHSA-N 1 2 238.291 -0.221 20 0 BBADLO Cc1c[nH]nc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000669599120 487729905 /nfs/dbraw/zinc/72/99/05/487729905.db2.gz AWBWVIHKWXZFAM-SECBINFHSA-N 1 2 238.291 -0.221 20 0 BBADLO Cc1c[nH]nc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000669599121 487729750 /nfs/dbraw/zinc/72/97/50/487729750.db2.gz AWBWVIHKWXZFAM-VIFPVBQESA-N 1 2 238.291 -0.221 20 0 BBADLO Cc1c[nH]nc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000669599121 487729746 /nfs/dbraw/zinc/72/97/46/487729746.db2.gz AWBWVIHKWXZFAM-VIFPVBQESA-N 1 2 238.291 -0.221 20 0 BBADLO CCNC(=O)CN(C)CC[N@H+]1CCO[C@H](C)C1 ZINC000669688597 487652658 /nfs/dbraw/zinc/65/26/58/487652658.db2.gz RBXVXNWLJVSJLK-LLVKDONJSA-N 1 2 243.351 -0.225 20 0 BBADLO CCNC(=O)CN(C)CC[N@@H+]1CCO[C@H](C)C1 ZINC000669688597 487652653 /nfs/dbraw/zinc/65/26/53/487652653.db2.gz RBXVXNWLJVSJLK-LLVKDONJSA-N 1 2 243.351 -0.225 20 0 BBADLO CCNC(=O)CN(C)CC[N@H+]1CCO[C@@H](C)C1 ZINC000669688598 487652865 /nfs/dbraw/zinc/65/28/65/487652865.db2.gz RBXVXNWLJVSJLK-NSHDSACASA-N 1 2 243.351 -0.225 20 0 BBADLO CCNC(=O)CN(C)CC[N@@H+]1CCO[C@@H](C)C1 ZINC000669688598 487652864 /nfs/dbraw/zinc/65/28/64/487652864.db2.gz RBXVXNWLJVSJLK-NSHDSACASA-N 1 2 243.351 -0.225 20 0 BBADLO C[C@H]1CN(CC[N@H+]2CCOC[C@H]2CO)CCO1 ZINC000669693789 487682663 /nfs/dbraw/zinc/68/26/63/487682663.db2.gz JRWUYJRLTCSXAS-NWDGAFQWSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@H]1CN(CC[N@@H+]2CCOC[C@H]2CO)CCO1 ZINC000669693789 487682657 /nfs/dbraw/zinc/68/26/57/487682657.db2.gz JRWUYJRLTCSXAS-NWDGAFQWSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@H]1C[N@@H+](CCN2CCOC[C@H]2CO)CCO1 ZINC000669693789 487682651 /nfs/dbraw/zinc/68/26/51/487682651.db2.gz JRWUYJRLTCSXAS-NWDGAFQWSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@H]1C[N@H+](CCN2CCOC[C@H]2CO)CCO1 ZINC000669693789 487682645 /nfs/dbraw/zinc/68/26/45/487682645.db2.gz JRWUYJRLTCSXAS-NWDGAFQWSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@@H]1CN(CC[N@H+]2CCOC[C@H]2CO)CCO1 ZINC000669693790 487682822 /nfs/dbraw/zinc/68/28/22/487682822.db2.gz JRWUYJRLTCSXAS-VXGBXAGGSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@@H]1CN(CC[N@@H+]2CCOC[C@H]2CO)CCO1 ZINC000669693790 487682818 /nfs/dbraw/zinc/68/28/18/487682818.db2.gz JRWUYJRLTCSXAS-VXGBXAGGSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@@H]1C[N@@H+](CCN2CCOC[C@H]2CO)CCO1 ZINC000669693790 487682814 /nfs/dbraw/zinc/68/28/14/487682814.db2.gz JRWUYJRLTCSXAS-VXGBXAGGSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@@H]1C[N@H+](CCN2CCOC[C@H]2CO)CCO1 ZINC000669693790 487682809 /nfs/dbraw/zinc/68/28/09/487682809.db2.gz JRWUYJRLTCSXAS-VXGBXAGGSA-N 1 2 244.335 -0.600 20 0 BBADLO C[N@@H+](CCOCCO)CC(=O)Nc1ccon1 ZINC000669707567 487710961 /nfs/dbraw/zinc/71/09/61/487710961.db2.gz YHZGLIUQESWQSA-UHFFFAOYSA-N 1 2 243.263 -0.446 20 0 BBADLO C[N@H+](CCOCCO)CC(=O)Nc1ccon1 ZINC000669707567 487710953 /nfs/dbraw/zinc/71/09/53/487710953.db2.gz YHZGLIUQESWQSA-UHFFFAOYSA-N 1 2 243.263 -0.446 20 0 BBADLO C[C@@H](C(=O)N1CC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC000669742223 487808980 /nfs/dbraw/zinc/80/89/80/487808980.db2.gz BUIHWDPVOHTXLG-DTWKUNHWSA-N 1 2 248.348 -0.418 20 0 BBADLO C[C@@H](C(=O)N1CC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC000669742224 487809094 /nfs/dbraw/zinc/80/90/94/487809094.db2.gz BUIHWDPVOHTXLG-IUCAKERBSA-N 1 2 248.348 -0.418 20 0 BBADLO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)nn1 ZINC000669930727 487931880 /nfs/dbraw/zinc/93/18/80/487931880.db2.gz YGCMPUZUKDIHGI-AOOOYVTPSA-N 1 2 239.275 -0.587 20 0 BBADLO COc1ccc(C[N@H+]2C[C@H](O)C[C@H](O)C2)nn1 ZINC000669930727 487931877 /nfs/dbraw/zinc/93/18/77/487931877.db2.gz YGCMPUZUKDIHGI-AOOOYVTPSA-N 1 2 239.275 -0.587 20 0 BBADLO CCNC(=O)C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000669943264 487951045 /nfs/dbraw/zinc/95/10/45/487951045.db2.gz CMRINDNNDBMCNL-DTORHVGOSA-N 1 2 214.265 -0.778 20 0 BBADLO CCNC(=O)C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000669943264 487951040 /nfs/dbraw/zinc/95/10/40/487951040.db2.gz CMRINDNNDBMCNL-DTORHVGOSA-N 1 2 214.265 -0.778 20 0 BBADLO CCCNC(=O)C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000669943459 487950983 /nfs/dbraw/zinc/95/09/83/487950983.db2.gz DNGBCQARUNNVTR-AOOOYVTPSA-N 1 2 228.292 -0.388 20 0 BBADLO CCCNC(=O)C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000669943459 487950981 /nfs/dbraw/zinc/95/09/81/487950981.db2.gz DNGBCQARUNNVTR-AOOOYVTPSA-N 1 2 228.292 -0.388 20 0 BBADLO CC(C)NC(=O)C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000669943586 487950741 /nfs/dbraw/zinc/95/07/41/487950741.db2.gz RGGNZCWHUBOPJJ-AOOOYVTPSA-N 1 2 228.292 -0.389 20 0 BBADLO CC(C)NC(=O)C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000669943586 487950735 /nfs/dbraw/zinc/95/07/35/487950735.db2.gz RGGNZCWHUBOPJJ-AOOOYVTPSA-N 1 2 228.292 -0.389 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000669943669 487951148 /nfs/dbraw/zinc/95/11/48/487951148.db2.gz IJBVGQYOOSBPSA-HRDYMLBCSA-N 1 2 214.265 -0.650 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000669943669 487951147 /nfs/dbraw/zinc/95/11/47/487951147.db2.gz IJBVGQYOOSBPSA-HRDYMLBCSA-N 1 2 214.265 -0.650 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000669943670 487950706 /nfs/dbraw/zinc/95/07/06/487950706.db2.gz IJBVGQYOOSBPSA-YIZRAAEISA-N 1 2 214.265 -0.650 20 0 BBADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000669943670 487950702 /nfs/dbraw/zinc/95/07/02/487950702.db2.gz IJBVGQYOOSBPSA-YIZRAAEISA-N 1 2 214.265 -0.650 20 0 BBADLO CN(C)c1c[nH+]ccc1NC(=O)NCCO ZINC000670075481 488049814 /nfs/dbraw/zinc/04/98/14/488049814.db2.gz PCDJBASQFGHRDM-UHFFFAOYSA-N 1 2 224.264 -0.317 20 0 BBADLO C[C@](O)(CO)CNC(=O)CCCn1cc[nH+]c1 ZINC000670104037 488106461 /nfs/dbraw/zinc/10/64/61/488106461.db2.gz XCMKWLCLCPDGHK-LLVKDONJSA-N 1 2 241.291 -0.477 20 0 BBADLO C[C@@](O)(CO)CNC(=O)CCCn1cc[nH+]c1 ZINC000670104038 488106024 /nfs/dbraw/zinc/10/60/24/488106024.db2.gz XCMKWLCLCPDGHK-NSHDSACASA-N 1 2 241.291 -0.477 20 0 BBADLO NS(=O)(=O)CCC[N@H+]1CCOCC12CC2 ZINC000670106690 488111059 /nfs/dbraw/zinc/11/10/59/488111059.db2.gz SLAQNBJEHPDFBZ-UHFFFAOYSA-N 1 2 234.321 -0.470 20 0 BBADLO NS(=O)(=O)CCC[N@@H+]1CCOCC12CC2 ZINC000670106690 488111057 /nfs/dbraw/zinc/11/10/57/488111057.db2.gz SLAQNBJEHPDFBZ-UHFFFAOYSA-N 1 2 234.321 -0.470 20 0 BBADLO CCN1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1=O ZINC000670170100 487564968 /nfs/dbraw/zinc/56/49/68/487564968.db2.gz HDCZAYBWSGAZQH-SECBINFHSA-N 1 2 236.275 -0.380 20 0 BBADLO CCN1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1=O ZINC000670170101 487564918 /nfs/dbraw/zinc/56/49/18/487564918.db2.gz HDCZAYBWSGAZQH-VIFPVBQESA-N 1 2 236.275 -0.380 20 0 BBADLO CN(C)c1c[nH+]ccc1NC(=O)[C@@H]1CCC(=O)N1 ZINC000670215736 487754806 /nfs/dbraw/zinc/75/48/06/487754806.db2.gz GALXRUVFCJJNEG-VIFPVBQESA-N 1 2 248.286 -0.213 20 0 BBADLO C[C@@H]1C[C@@H]1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000670385196 488128361 /nfs/dbraw/zinc/12/83/61/488128361.db2.gz GTNVNQNREXPKQG-MXWKQRLJSA-N 1 2 242.319 -0.548 20 0 BBADLO C[C@@H]1C[C@@H]1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000670385197 488128344 /nfs/dbraw/zinc/12/83/44/488128344.db2.gz GTNVNQNREXPKQG-VWYCJHECSA-N 1 2 242.319 -0.548 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)N2COCC2(C)C)C1 ZINC000670389082 488130564 /nfs/dbraw/zinc/13/05/64/488130564.db2.gz FIBHQCWGVLDDDP-SECBINFHSA-N 1 2 228.292 -0.088 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)N2COCC2(C)C)C1 ZINC000670389082 488130558 /nfs/dbraw/zinc/13/05/58/488130558.db2.gz FIBHQCWGVLDDDP-SECBINFHSA-N 1 2 228.292 -0.088 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)N2COCC2(C)C)C1 ZINC000670389083 488130110 /nfs/dbraw/zinc/13/01/10/488130110.db2.gz FIBHQCWGVLDDDP-VIFPVBQESA-N 1 2 228.292 -0.088 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)N2COCC2(C)C)C1 ZINC000670389083 488130104 /nfs/dbraw/zinc/13/01/04/488130104.db2.gz FIBHQCWGVLDDDP-VIFPVBQESA-N 1 2 228.292 -0.088 20 0 BBADLO COCCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000670409356 488152947 /nfs/dbraw/zinc/15/29/47/488152947.db2.gz LBEMTJNWNVANLM-LLVKDONJSA-N 1 2 241.335 -0.471 20 0 BBADLO COCCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000670409356 488152941 /nfs/dbraw/zinc/15/29/41/488152941.db2.gz LBEMTJNWNVANLM-LLVKDONJSA-N 1 2 241.335 -0.471 20 0 BBADLO COCCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000670409357 488152425 /nfs/dbraw/zinc/15/24/25/488152425.db2.gz LBEMTJNWNVANLM-NSHDSACASA-N 1 2 241.335 -0.471 20 0 BBADLO COCCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000670409357 488152416 /nfs/dbraw/zinc/15/24/16/488152416.db2.gz LBEMTJNWNVANLM-NSHDSACASA-N 1 2 241.335 -0.471 20 0 BBADLO Cc1[nH]c(C(=O)NC[C@H]2CCCNC2=O)c[nH+]1 ZINC000670429980 487481544 /nfs/dbraw/zinc/48/15/44/487481544.db2.gz 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202.254 -0.273 20 0 BBADLO CCN1OC[C@H]([N@@H+](C)CCOC)C1=O ZINC000670990614 487576892 /nfs/dbraw/zinc/57/68/92/487576892.db2.gz KHFRWDZOKOGARS-QMMMGPOBSA-N 1 2 202.254 -0.273 20 0 BBADLO CCN1OC[C@H]([N@H+](C)CCOC)C1=O ZINC000670990614 487576887 /nfs/dbraw/zinc/57/68/87/487576887.db2.gz KHFRWDZOKOGARS-QMMMGPOBSA-N 1 2 202.254 -0.273 20 0 BBADLO CCN1OC[C@@H]([N@@H+](CC)CCO)C1=O ZINC000670990880 487579715 /nfs/dbraw/zinc/57/97/15/487579715.db2.gz BHDMQVWSYNNNMD-MRVPVSSYSA-N 1 2 202.254 -0.537 20 0 BBADLO CCN1OC[C@@H]([N@H+](CC)CCO)C1=O ZINC000670990880 487579711 /nfs/dbraw/zinc/57/97/11/487579711.db2.gz BHDMQVWSYNNNMD-MRVPVSSYSA-N 1 2 202.254 -0.537 20 0 BBADLO CCN1OC[C@H]([N@@H+](CC)CCO)C1=O ZINC000670990881 487579584 /nfs/dbraw/zinc/57/95/84/487579584.db2.gz BHDMQVWSYNNNMD-QMMMGPOBSA-N 1 2 202.254 -0.537 20 0 BBADLO CCN1OC[C@H]([N@H+](CC)CCO)C1=O ZINC000670990881 487579580 /nfs/dbraw/zinc/57/95/80/487579580.db2.gz BHDMQVWSYNNNMD-QMMMGPOBSA-N 1 2 202.254 -0.537 20 0 BBADLO CC[NH+]1CCN(C(=O)C(=O)NC2CCC2)CC1 ZINC000671082811 487838151 /nfs/dbraw/zinc/83/81/51/487838151.db2.gz IKRWIWUCSSNXTL-UHFFFAOYSA-N 1 2 239.319 -0.181 20 0 BBADLO CNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671148731 487971366 /nfs/dbraw/zinc/97/13/66/487971366.db2.gz SCCAWIGVGKIDMJ-UHFFFAOYSA-N 1 2 247.298 -0.136 20 0 BBADLO CNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000671149053 487971314 /nfs/dbraw/zinc/97/13/14/487971314.db2.gz CLRLYTNBIHGNCR-SECBINFHSA-N 1 2 236.275 -0.207 20 0 BBADLO CNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000671149054 487971196 /nfs/dbraw/zinc/97/11/96/487971196.db2.gz CLRLYTNBIHGNCR-VIFPVBQESA-N 1 2 236.275 -0.207 20 0 BBADLO CNC(=O)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000671149453 487971356 /nfs/dbraw/zinc/97/13/56/487971356.db2.gz FEEFJAYVRHUMTB-UHFFFAOYSA-N 1 2 222.248 -0.720 20 0 BBADLO CO[C@H]1C[C@@H](C(N)=O)N(c2cc[nH+]c(C)n2)C1 ZINC000671436813 487482660 /nfs/dbraw/zinc/48/26/60/487482660.db2.gz FGRNXIFCDNGXRO-IUCAKERBSA-N 1 2 236.275 -0.136 20 0 BBADLO CO[C@H]1C[C@@H](C(N)=O)N(c2cc(C)[nH+]cn2)C1 ZINC000671437405 487481388 /nfs/dbraw/zinc/48/13/88/487481388.db2.gz KMAVKEZTRBYYIZ-IUCAKERBSA-N 1 2 236.275 -0.136 20 0 BBADLO O[C@]1(Cn2ccnn2)CC[N@@H+](CC(F)F)C1 ZINC000671550996 487616854 /nfs/dbraw/zinc/61/68/54/487616854.db2.gz LNJWKTAPRIZGPB-SECBINFHSA-N 1 2 232.234 -0.020 20 0 BBADLO O[C@]1(Cn2ccnn2)CC[N@H+](CC(F)F)C1 ZINC000671550996 487616850 /nfs/dbraw/zinc/61/68/50/487616850.db2.gz LNJWKTAPRIZGPB-SECBINFHSA-N 1 2 232.234 -0.020 20 0 BBADLO O[C@@]1(Cn2ccnn2)CC[N@@H+](CC(F)F)C1 ZINC000671550997 487616865 /nfs/dbraw/zinc/61/68/65/487616865.db2.gz LNJWKTAPRIZGPB-VIFPVBQESA-N 1 2 232.234 -0.020 20 0 BBADLO O[C@@]1(Cn2ccnn2)CC[N@H+](CC(F)F)C1 ZINC000671550997 487616861 /nfs/dbraw/zinc/61/68/61/487616861.db2.gz LNJWKTAPRIZGPB-VIFPVBQESA-N 1 2 232.234 -0.020 20 0 BBADLO CNS(=O)(=O)NCCCn1cc[nH+]c1 ZINC000671670509 487679847 /nfs/dbraw/zinc/67/98/47/487679847.db2.gz KWPXUXHFHDWWGD-UHFFFAOYSA-N 1 2 218.282 -0.673 20 0 BBADLO CNS(=O)(=O)NCc1cn2ccccc2[nH+]1 ZINC000671671006 487680272 /nfs/dbraw/zinc/68/02/72/487680272.db2.gz AKDLTCFFGQIFDI-UHFFFAOYSA-N 1 2 240.288 -0.112 20 0 BBADLO CNS(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000671672936 487682370 /nfs/dbraw/zinc/68/23/70/487682370.db2.gz IXEPFJPSMJZWQI-SSDOTTSWSA-N 1 2 218.282 -0.675 20 0 BBADLO CNS(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000671672937 487682010 /nfs/dbraw/zinc/68/20/10/487682010.db2.gz IXEPFJPSMJZWQI-ZETCQYMHSA-N 1 2 218.282 -0.675 20 0 BBADLO CNS(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000671674649 487683202 /nfs/dbraw/zinc/68/32/02/487683202.db2.gz XFRGDPJSDGWDKP-SECBINFHSA-N 1 2 244.320 -0.016 20 0 BBADLO CNS(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000671674650 487683064 /nfs/dbraw/zinc/68/30/64/487683064.db2.gz XFRGDPJSDGWDKP-VIFPVBQESA-N 1 2 244.320 -0.016 20 0 BBADLO CC[N@H+]1CCN(S(=O)(=O)N2CCC2)C[C@@H]1C ZINC000671680720 487687278 /nfs/dbraw/zinc/68/72/78/487687278.db2.gz AHPXORDCUCSYJQ-JTQLQIEISA-N 1 2 247.364 -0.037 20 0 BBADLO CC[N@@H+]1CCN(S(=O)(=O)N2CCC2)C[C@@H]1C ZINC000671680720 487687270 /nfs/dbraw/zinc/68/72/70/487687270.db2.gz AHPXORDCUCSYJQ-JTQLQIEISA-N 1 2 247.364 -0.037 20 0 BBADLO CC[N@H+]1CCN(S(=O)(=O)N2CCC2)C[C@H]1C ZINC000671680721 487687346 /nfs/dbraw/zinc/68/73/46/487687346.db2.gz AHPXORDCUCSYJQ-SNVBAGLBSA-N 1 2 247.364 -0.037 20 0 BBADLO CC[N@@H+]1CCN(S(=O)(=O)N2CCC2)C[C@H]1C ZINC000671680721 487687341 /nfs/dbraw/zinc/68/73/41/487687341.db2.gz AHPXORDCUCSYJQ-SNVBAGLBSA-N 1 2 247.364 -0.037 20 0 BBADLO CC[N@H+]1CCN(S(=O)(=O)NC)C[C@H]1C ZINC000671680732 487687874 /nfs/dbraw/zinc/68/78/74/487687874.db2.gz CIOJXONAYNZZIN-MRVPVSSYSA-N 1 2 221.326 -0.523 20 0 BBADLO CC[N@@H+]1CCN(S(=O)(=O)NC)C[C@H]1C ZINC000671680732 487687872 /nfs/dbraw/zinc/68/78/72/487687872.db2.gz CIOJXONAYNZZIN-MRVPVSSYSA-N 1 2 221.326 -0.523 20 0 BBADLO CC[N@H+]1CCN(S(=O)(=O)NC)C[C@@H]1C ZINC000671680733 487687830 /nfs/dbraw/zinc/68/78/30/487687830.db2.gz CIOJXONAYNZZIN-QMMMGPOBSA-N 1 2 221.326 -0.523 20 0 BBADLO CC[N@@H+]1CCN(S(=O)(=O)NC)C[C@@H]1C ZINC000671680733 487687825 /nfs/dbraw/zinc/68/78/25/487687825.db2.gz CIOJXONAYNZZIN-QMMMGPOBSA-N 1 2 221.326 -0.523 20 0 BBADLO CNS(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000671682490 487688508 /nfs/dbraw/zinc/68/85/08/487688508.db2.gz VHCRWICDWCISCI-UHFFFAOYSA-N 1 2 216.266 -0.796 20 0 BBADLO CN(C)S(=O)(=O)CC[N@@H+](C)Cc1cn[nH]c1 ZINC000671684909 487689172 /nfs/dbraw/zinc/68/91/72/487689172.db2.gz WUEDBEIDEZPZKW-UHFFFAOYSA-N 1 2 246.336 -0.267 20 0 BBADLO CN(C)S(=O)(=O)CC[N@H+](C)Cc1cn[nH]c1 ZINC000671684909 487689166 /nfs/dbraw/zinc/68/91/66/487689166.db2.gz WUEDBEIDEZPZKW-UHFFFAOYSA-N 1 2 246.336 -0.267 20 0 BBADLO CC[N@H+]1CCN(S(=O)(=O)NC)[C@H](C)C1 ZINC000671695765 487695713 /nfs/dbraw/zinc/69/57/13/487695713.db2.gz JFULTHKWOYCUHS-MRVPVSSYSA-N 1 2 221.326 -0.523 20 0 BBADLO CC[N@@H+]1CCN(S(=O)(=O)NC)[C@H](C)C1 ZINC000671695765 487695707 /nfs/dbraw/zinc/69/57/07/487695707.db2.gz JFULTHKWOYCUHS-MRVPVSSYSA-N 1 2 221.326 -0.523 20 0 BBADLO CC[N@H+]1CCN(S(=O)(=O)NC)[C@@H](C)C1 ZINC000671695766 487695085 /nfs/dbraw/zinc/69/50/85/487695085.db2.gz JFULTHKWOYCUHS-QMMMGPOBSA-N 1 2 221.326 -0.523 20 0 BBADLO CC[N@@H+]1CCN(S(=O)(=O)NC)[C@@H](C)C1 ZINC000671695766 487695080 /nfs/dbraw/zinc/69/50/80/487695080.db2.gz JFULTHKWOYCUHS-QMMMGPOBSA-N 1 2 221.326 -0.523 20 0 BBADLO C[N@@H+](Cc1nnnn1C1CC1)C1(CO)CC1 ZINC000671727432 487710421 /nfs/dbraw/zinc/71/04/21/487710421.db2.gz OFCCZTGYSMIZQE-UHFFFAOYSA-N 1 2 223.280 -0.035 20 0 BBADLO C[N@H+](Cc1nnnn1C1CC1)C1(CO)CC1 ZINC000671727432 487710415 /nfs/dbraw/zinc/71/04/15/487710415.db2.gz OFCCZTGYSMIZQE-UHFFFAOYSA-N 1 2 223.280 -0.035 20 0 BBADLO O=C(NC1CC1)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000671735106 487714947 /nfs/dbraw/zinc/71/49/47/487714947.db2.gz MFMNJPMUVILYTG-SECBINFHSA-N 1 2 248.286 -0.407 20 0 BBADLO O=C(NC1CC1)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000671735107 487715189 /nfs/dbraw/zinc/71/51/89/487715189.db2.gz MFMNJPMUVILYTG-VIFPVBQESA-N 1 2 248.286 -0.407 20 0 BBADLO C[C@@H](O)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672153248 488242080 /nfs/dbraw/zinc/24/20/80/488242080.db2.gz UPEIWSLXJWTVNX-HTQZYQBOSA-N 1 2 209.249 -0.305 20 0 BBADLO C[C@@H](O)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672153254 488241902 /nfs/dbraw/zinc/24/19/02/488241902.db2.gz UPEIWSLXJWTVNX-SFYZADRCSA-N 1 2 209.249 -0.305 20 0 BBADLO COCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672153861 488240164 /nfs/dbraw/zinc/24/01/64/488240164.db2.gz CURMYUUFAINAEY-MRVPVSSYSA-N 1 2 209.249 -0.040 20 0 BBADLO COCC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672153862 488240222 /nfs/dbraw/zinc/24/02/22/488240222.db2.gz CURMYUUFAINAEY-QMMMGPOBSA-N 1 2 209.249 -0.040 20 0 BBADLO O=C(Cn1cnnn1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672154994 488242846 /nfs/dbraw/zinc/24/28/46/488242846.db2.gz VONRUOCKMQJRND-MRVPVSSYSA-N 1 2 247.262 -0.999 20 0 BBADLO O=C(Cn1cnnn1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672155001 488242778 /nfs/dbraw/zinc/24/27/78/488242778.db2.gz VONRUOCKMQJRND-QMMMGPOBSA-N 1 2 247.262 -0.999 20 0 BBADLO C[C@H](O)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672158256 488243242 /nfs/dbraw/zinc/24/32/42/488243242.db2.gz UPEIWSLXJWTVNX-JGVFFNPUSA-N 1 2 209.249 -0.305 20 0 BBADLO C[C@H](O)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672158257 488243169 /nfs/dbraw/zinc/24/31/69/488243169.db2.gz UPEIWSLXJWTVNX-YUMQZZPRSA-N 1 2 209.249 -0.305 20 0 BBADLO CN(CCC(N)=O)C(=O)CCCn1cc[nH+]c1 ZINC000672314695 488250723 /nfs/dbraw/zinc/25/07/23/488250723.db2.gz KYGSWFVGVPEMPH-UHFFFAOYSA-N 1 2 238.291 -0.003 20 0 BBADLO CN(CCC(N)=O)c1cc(-n2cc[nH+]c2)ncn1 ZINC000672337132 488252633 /nfs/dbraw/zinc/25/26/33/488252633.db2.gz GXVWIEPFRFMIIL-UHFFFAOYSA-N 1 2 246.274 -0.026 20 0 BBADLO C[C@H](CF)NC(=O)NCC[NH+]1CCOCC1 ZINC000672665091 488263254 /nfs/dbraw/zinc/26/32/54/488263254.db2.gz QDVCLSXEISCSMA-SECBINFHSA-N 1 2 233.287 -0.024 20 0 BBADLO CN1C(=O)CC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000672744876 488265161 /nfs/dbraw/zinc/26/51/61/488265161.db2.gz SCJWEKWJFIAQIJ-SECBINFHSA-N 1 2 236.275 -0.380 20 0 BBADLO 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BBADLO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1(CO)CC1 ZINC000673495997 488291190 /nfs/dbraw/zinc/29/11/90/488291190.db2.gz VTHSORVFLCAFJT-VIFPVBQESA-N 1 2 228.292 -0.700 20 0 BBADLO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1(CO)CC1 ZINC000673495997 488291187 /nfs/dbraw/zinc/29/11/87/488291187.db2.gz VTHSORVFLCAFJT-VIFPVBQESA-N 1 2 228.292 -0.700 20 0 BBADLO CCNC(=O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC000673644445 488299824 /nfs/dbraw/zinc/29/98/24/488299824.db2.gz JTNAGHPTXXWSRY-UHFFFAOYSA-N 1 2 224.264 -0.522 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)Nc2cnoc2)C1 ZINC000673653721 488300972 /nfs/dbraw/zinc/30/09/72/488300972.db2.gz UQHPIIUQHRBVIN-MRVPVSSYSA-N 1 2 211.221 -0.056 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cnoc2)C1 ZINC000673653721 488300971 /nfs/dbraw/zinc/30/09/71/488300971.db2.gz UQHPIIUQHRBVIN-MRVPVSSYSA-N 1 2 211.221 -0.056 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)Nc2cnoc2)C1 ZINC000673653722 488299693 /nfs/dbraw/zinc/29/96/93/488299693.db2.gz UQHPIIUQHRBVIN-QMMMGPOBSA-N 1 2 211.221 -0.056 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)Nc2cnoc2)C1 ZINC000673653722 488299690 /nfs/dbraw/zinc/29/96/90/488299690.db2.gz UQHPIIUQHRBVIN-QMMMGPOBSA-N 1 2 211.221 -0.056 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)Nc2c[nH]ccc2=O)C1 ZINC000673656405 488300979 /nfs/dbraw/zinc/30/09/79/488300979.db2.gz HCCKVDMQPRZRKU-JTQLQIEISA-N 1 2 237.259 -0.356 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)Nc2c[nH]ccc2=O)C1 ZINC000673656405 488300977 /nfs/dbraw/zinc/30/09/77/488300977.db2.gz HCCKVDMQPRZRKU-JTQLQIEISA-N 1 2 237.259 -0.356 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)Nc2c[nH]ccc2=O)C1 ZINC000673656409 488301098 /nfs/dbraw/zinc/30/10/98/488301098.db2.gz HCCKVDMQPRZRKU-SNVBAGLBSA-N 1 2 237.259 -0.356 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2c[nH]ccc2=O)C1 ZINC000673656409 488301094 /nfs/dbraw/zinc/30/10/94/488301094.db2.gz HCCKVDMQPRZRKU-SNVBAGLBSA-N 1 2 237.259 -0.356 20 0 BBADLO NC(=O)CC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000673657999 488300740 /nfs/dbraw/zinc/30/07/40/488300740.db2.gz JSICANFGSQNXGR-UHFFFAOYSA-N 1 2 235.243 -0.453 20 0 BBADLO CCN(CC(=O)N(C)C)C(=O)Cn1cc[nH+]c1 ZINC000673660191 487600817 /nfs/dbraw/zinc/60/08/17/487600817.db2.gz YEPQXFKFFDSNBJ-UHFFFAOYSA-N 1 2 238.291 -0.180 20 0 BBADLO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1nn[nH]n1 ZINC000673667570 488302003 /nfs/dbraw/zinc/30/20/03/488302003.db2.gz BMQRUWFNTZSXCT-HTQZYQBOSA-N 1 2 238.295 -0.311 20 0 BBADLO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1nn[nH]n1 ZINC000673667571 488302516 /nfs/dbraw/zinc/30/25/16/488302516.db2.gz BMQRUWFNTZSXCT-OCAPTIKFSA-N 1 2 238.295 -0.311 20 0 BBADLO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1nn[nH]n1 ZINC000673667571 488302515 /nfs/dbraw/zinc/30/25/15/488302515.db2.gz BMQRUWFNTZSXCT-OCAPTIKFSA-N 1 2 238.295 -0.311 20 0 BBADLO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1nn[nH]n1 ZINC000673667572 488302502 /nfs/dbraw/zinc/30/25/02/488302502.db2.gz BMQRUWFNTZSXCT-YUMQZZPRSA-N 1 2 238.295 -0.311 20 0 BBADLO Cc1cc(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n[nH]1 ZINC000673671309 488302127 /nfs/dbraw/zinc/30/21/27/488302127.db2.gz ZZXACZBTCCIDMN-JTQLQIEISA-N 1 2 238.291 -0.335 20 0 BBADLO Cc1cc(CNC(=O)[C@@H]2C[N@H+](C)CCO2)n[nH]1 ZINC000673671309 488302123 /nfs/dbraw/zinc/30/21/23/488302123.db2.gz ZZXACZBTCCIDMN-JTQLQIEISA-N 1 2 238.291 -0.335 20 0 BBADLO Cc1cc(CNC(=O)[C@H]2C[N@@H+](C)CCO2)n[nH]1 ZINC000673671311 488302055 /nfs/dbraw/zinc/30/20/55/488302055.db2.gz ZZXACZBTCCIDMN-SNVBAGLBSA-N 1 2 238.291 -0.335 20 0 BBADLO Cc1cc(CNC(=O)[C@H]2C[N@H+](C)CCO2)n[nH]1 ZINC000673671311 488302054 /nfs/dbraw/zinc/30/20/54/488302054.db2.gz ZZXACZBTCCIDMN-SNVBAGLBSA-N 1 2 238.291 -0.335 20 0 BBADLO C[C@@H]1CC(=O)NCCN1C(=O)Cn1cc[nH+]c1 ZINC000673680858 488303068 /nfs/dbraw/zinc/30/30/68/488303068.db2.gz ZOQJDDRLWVAHTJ-SECBINFHSA-N 1 2 236.275 -0.380 20 0 BBADLO C[C@H]1CC(=O)NCCN1C(=O)Cn1cc[nH+]c1 ZINC000673680861 488302863 /nfs/dbraw/zinc/30/28/63/488302863.db2.gz ZOQJDDRLWVAHTJ-VIFPVBQESA-N 1 2 236.275 -0.380 20 0 BBADLO O=C(NCCn1cc[nH+]c1)NCC1(CO)CC1 ZINC000673792509 488307195 /nfs/dbraw/zinc/30/71/95/488307195.db2.gz KYKZEBJPPWDFQK-UHFFFAOYSA-N 1 2 238.291 -0.045 20 0 BBADLO Cn1cc[nH+]c1CNC(=O)NCC1(CO)CC1 ZINC000673879397 488310949 /nfs/dbraw/zinc/31/09/49/488310949.db2.gz ZICCLXYEWFGRFM-UHFFFAOYSA-N 1 2 238.291 -0.008 20 0 BBADLO OCCN(CCO)c1cc(-n2cc[nH+]c2)ncn1 ZINC000673885799 488311199 /nfs/dbraw/zinc/31/11/99/488311199.db2.gz XBAAKTBTEFKLBK-UHFFFAOYSA-N 1 2 249.274 -0.547 20 0 BBADLO CC(C)N1CC[C@@H]([NH2+]Cc2ncnn2C)C1=O ZINC000673893109 488311933 /nfs/dbraw/zinc/31/19/33/488311933.db2.gz APCMXAYANWTIDR-SECBINFHSA-N 1 2 237.307 -0.086 20 0 BBADLO CC(C)N1CC[C@H]([NH2+]Cc2ncnn2C)C1=O ZINC000673893110 488311672 /nfs/dbraw/zinc/31/16/72/488311672.db2.gz APCMXAYANWTIDR-VIFPVBQESA-N 1 2 237.307 -0.086 20 0 BBADLO C[N@H+]1CCCC[C@@H]1C(=O)NCCc1nc[nH]n1 ZINC000673917438 487477925 /nfs/dbraw/zinc/47/79/25/487477925.db2.gz SWYFCVRRWTWSRM-SECBINFHSA-N 1 2 237.307 -0.052 20 0 BBADLO C[N@@H+]1CCCC[C@@H]1C(=O)NCCc1nc[nH]n1 ZINC000673917438 487477922 /nfs/dbraw/zinc/47/79/22/487477922.db2.gz SWYFCVRRWTWSRM-SECBINFHSA-N 1 2 237.307 -0.052 20 0 BBADLO C[N@H+]1CCCC[C@@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000673919593 487479569 /nfs/dbraw/zinc/47/95/69/487479569.db2.gz YIRDGQMDNQUGIY-SSDOTTSWSA-N 1 2 239.279 -0.389 20 0 BBADLO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000673919593 487479565 /nfs/dbraw/zinc/47/95/65/487479565.db2.gz YIRDGQMDNQUGIY-SSDOTTSWSA-N 1 2 239.279 -0.389 20 0 BBADLO C[N@H+]1CCCC[C@@H]1C(=O)NCc1c[nH]nn1 ZINC000673920696 487479299 /nfs/dbraw/zinc/47/92/99/487479299.db2.gz ZRCRQEVPNWZUTK-SECBINFHSA-N 1 2 223.280 -0.095 20 0 BBADLO C[N@@H+](CCNS(C)(=O)=O)Cc1cn[nH]c1 ZINC000673927900 487481336 /nfs/dbraw/zinc/48/13/36/487481336.db2.gz QFZGNXHQGGNQDB-UHFFFAOYSA-N 1 2 232.309 -0.609 20 0 BBADLO C[N@H+](CCNS(C)(=O)=O)Cc1cn[nH]c1 ZINC000673927900 487481333 /nfs/dbraw/zinc/48/13/33/487481333.db2.gz QFZGNXHQGGNQDB-UHFFFAOYSA-N 1 2 232.309 -0.609 20 0 BBADLO CN(CC(=O)NCc1c[nH]c[nH+]1)C(=O)C1CC1 ZINC000673934388 487484420 /nfs/dbraw/zinc/48/44/20/487484420.db2.gz CGVOVTWPGWJZRZ-UHFFFAOYSA-N 1 2 236.275 -0.106 20 0 BBADLO CN(CC(=O)NCc1c[nH+]c[nH]1)C(=O)C1CC1 ZINC000673934388 487484416 /nfs/dbraw/zinc/48/44/16/487484416.db2.gz CGVOVTWPGWJZRZ-UHFFFAOYSA-N 1 2 236.275 -0.106 20 0 BBADLO NC(=O)c1cc(C(=O)Nc2cc[nH+]cc2O)c[nH]1 ZINC000673936092 487485320 /nfs/dbraw/zinc/48/53/20/487485320.db2.gz UYGMOQIMBBHUTO-UHFFFAOYSA-N 1 2 246.226 -0.112 20 0 BBADLO O=C(Cn1cc[nH+]c1)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000673966975 487492678 /nfs/dbraw/zinc/49/26/78/487492678.db2.gz ZLXLLQRKKHBUJL-ZJUUUORDSA-N 1 2 248.286 -0.237 20 0 BBADLO O=C1C[N@@H+](CCn2cncn2)CCN1C1CC1 ZINC000674008601 488054216 /nfs/dbraw/zinc/05/42/16/488054216.db2.gz MCCWMIQVGNKDQQ-UHFFFAOYSA-N 1 2 235.291 -0.415 20 0 BBADLO O=C1C[N@H+](CCn2cncn2)CCN1C1CC1 ZINC000674008601 488054214 /nfs/dbraw/zinc/05/42/14/488054214.db2.gz MCCWMIQVGNKDQQ-UHFFFAOYSA-N 1 2 235.291 -0.415 20 0 BBADLO C[NH+](C)CC(=O)NCC(C)(C)S(C)(=O)=O ZINC000674016651 487502176 /nfs/dbraw/zinc/50/21/76/487502176.db2.gz KZWRLFRLTRBTDY-UHFFFAOYSA-N 1 2 236.337 -0.513 20 0 BBADLO C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC000674244841 487534328 /nfs/dbraw/zinc/53/43/28/487534328.db2.gz XMZJYMLLNHKRCS-DTWKUNHWSA-N 1 2 248.348 -0.418 20 0 BBADLO C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC000674244843 487528993 /nfs/dbraw/zinc/52/89/93/487528993.db2.gz XMZJYMLLNHKRCS-IUCAKERBSA-N 1 2 248.348 -0.418 20 0 BBADLO C[C@@H](C(=O)N[C@]1(C)CCS(=O)(=O)C1)[NH+](C)C ZINC000674245019 487530569 /nfs/dbraw/zinc/53/05/69/487530569.db2.gz YGQFHTRJKOCMNT-WCBMZHEXSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@@H](C(=O)N[C@@]1(C)CCS(=O)(=O)C1)[NH+](C)C ZINC000674245020 487530374 /nfs/dbraw/zinc/53/03/74/487530374.db2.gz YGQFHTRJKOCMNT-WPRPVWTQSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@@H](C(=O)NCCCS(C)(=O)=O)[NH+](C)C ZINC000674245262 487534368 /nfs/dbraw/zinc/53/43/68/487534368.db2.gz CTOKHNOBIQPQQW-QMMMGPOBSA-N 1 2 236.337 -0.513 20 0 BBADLO C[C@H](CS(C)(=O)=O)NC(=O)[C@H](C)[NH+](C)C ZINC000674266012 487542196 /nfs/dbraw/zinc/54/21/96/487542196.db2.gz XHXXLQRFCXWQRD-SFYZADRCSA-N 1 2 236.337 -0.514 20 0 BBADLO C[C@@H](CS(C)(=O)=O)NC(=O)[C@H](C)[NH+](C)C ZINC000674266013 487536528 /nfs/dbraw/zinc/53/65/28/487536528.db2.gz XHXXLQRFCXWQRD-YUMQZZPRSA-N 1 2 236.337 -0.514 20 0 BBADLO C[C@@H](C(=O)N1CCS(=O)(=O)CC1)[NH+](C)C ZINC000674287297 487547519 /nfs/dbraw/zinc/54/75/19/487547519.db2.gz KFPQGCYBSZMOLS-QMMMGPOBSA-N 1 2 234.321 -0.807 20 0 BBADLO C[C@@H](C(=O)N1CCS(=O)(=O)C[C@H]1C)[NH+](C)C ZINC000674288402 487549713 /nfs/dbraw/zinc/54/97/13/487549713.db2.gz FBCMJFZAQQGCQE-BDAKNGLRSA-N 1 2 248.348 -0.418 20 0 BBADLO C[C@@H](C(=O)N1CCS(=O)(=O)C[C@@H]1C)[NH+](C)C ZINC000674288404 487549814 /nfs/dbraw/zinc/54/98/14/487549814.db2.gz FBCMJFZAQQGCQE-IUCAKERBSA-N 1 2 248.348 -0.418 20 0 BBADLO C[C@@H](C(=O)N1CCS(=O)(=O)[C@H](C)C1)[NH+](C)C ZINC000674288571 487543713 /nfs/dbraw/zinc/54/37/13/487543713.db2.gz IZOPHJLNMITRBN-BDAKNGLRSA-N 1 2 248.348 -0.418 20 0 BBADLO C[C@@H](C(=O)N[C@@H]1CCCS(=O)(=O)C1)[NH+](C)C ZINC000674289522 487550406 /nfs/dbraw/zinc/55/04/06/487550406.db2.gz ITYKIVDWULZRJG-DTWKUNHWSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@@H](C(=O)N[C@H]1CCCS(=O)(=O)C1)[NH+](C)C ZINC000674289525 487550641 /nfs/dbraw/zinc/55/06/41/487550641.db2.gz ITYKIVDWULZRJG-IUCAKERBSA-N 1 2 248.348 -0.370 20 0 BBADLO CS(=O)(=O)N1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000674301162 487552573 /nfs/dbraw/zinc/55/25/73/487552573.db2.gz NXMVZFLENQUIJR-JTQLQIEISA-N 1 2 248.348 -0.257 20 0 BBADLO CS(=O)(=O)N1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000674301163 487553305 /nfs/dbraw/zinc/55/33/05/487553305.db2.gz NXMVZFLENQUIJR-SNVBAGLBSA-N 1 2 248.348 -0.257 20 0 BBADLO CCc1cnc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)o1 ZINC000674306303 487557782 /nfs/dbraw/zinc/55/77/82/487557782.db2.gz BQBXNSJNQZNOIE-DTORHVGOSA-N 1 2 212.249 -0.226 20 0 BBADLO CCc1cnc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)o1 ZINC000674306303 487557780 /nfs/dbraw/zinc/55/77/80/487557780.db2.gz BQBXNSJNQZNOIE-DTORHVGOSA-N 1 2 212.249 -0.226 20 0 BBADLO Cn1nnnc1C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000674314444 487559507 /nfs/dbraw/zinc/55/95/07/487559507.db2.gz GELUZEGBUUWVQD-MRVPVSSYSA-N 1 2 211.269 -0.587 20 0 BBADLO Cn1nnnc1C[N@H+](C)C[C@@H](O)C1CC1 ZINC000674314444 487559505 /nfs/dbraw/zinc/55/95/05/487559505.db2.gz GELUZEGBUUWVQD-MRVPVSSYSA-N 1 2 211.269 -0.587 20 0 BBADLO Cn1nnnc1C[N@@H+](C)C[C@H](O)C1CC1 ZINC000674314445 487559551 /nfs/dbraw/zinc/55/95/51/487559551.db2.gz GELUZEGBUUWVQD-QMMMGPOBSA-N 1 2 211.269 -0.587 20 0 BBADLO Cn1nnnc1C[N@H+](C)C[C@H](O)C1CC1 ZINC000674314445 487559547 /nfs/dbraw/zinc/55/95/47/487559547.db2.gz GELUZEGBUUWVQD-QMMMGPOBSA-N 1 2 211.269 -0.587 20 0 BBADLO CCNC(=O)CN(C)Cc1c[nH+]cn1C ZINC000674369779 487566663 /nfs/dbraw/zinc/56/66/63/487566663.db2.gz CCFYULOJDLZYDA-UHFFFAOYSA-N 1 2 210.281 -0.012 20 0 BBADLO Cc1cc(N2C[C@H](O)C[C@H](O)C2)nc[nH+]1 ZINC000674410207 487570757 /nfs/dbraw/zinc/57/07/57/487570757.db2.gz VPJYJRHTBGTHFP-DTORHVGOSA-N 1 2 209.249 -0.283 20 0 BBADLO Cn1ncc2c1nc[nH+]c2N1C[C@H](O)C[C@H](O)C1 ZINC000674412961 488029663 /nfs/dbraw/zinc/02/96/63/488029663.db2.gz XLLNREHSRRWQHQ-OCAPTIKFSA-N 1 2 249.274 -0.705 20 0 BBADLO Cc1nc(N2C[C@H](O)C[C@H](O)C2)cc[nH+]1 ZINC000674413083 488029402 /nfs/dbraw/zinc/02/94/02/488029402.db2.gz ZWHTWPJGYRHSCI-DTORHVGOSA-N 1 2 209.249 -0.283 20 0 BBADLO Cc1cc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)no1 ZINC000674464691 488154855 /nfs/dbraw/zinc/15/48/55/488154855.db2.gz DJQFCHKJUMRTDM-AOOOYVTPSA-N 1 2 212.249 -0.089 20 0 BBADLO Cc1cc(C[N@H+]2C[C@H](O)C[C@H](O)C2)no1 ZINC000674464691 488154850 /nfs/dbraw/zinc/15/48/50/488154850.db2.gz DJQFCHKJUMRTDM-AOOOYVTPSA-N 1 2 212.249 -0.089 20 0 BBADLO Cc1noc([C@H](C)[N@@H+]2C[C@H](O)C[C@H](O)C2)n1 ZINC000674464787 487580386 /nfs/dbraw/zinc/58/03/86/487580386.db2.gz KNRZEEAEMHLATO-CNUIFLNQSA-N 1 2 227.264 -0.133 20 0 BBADLO Cc1noc([C@H](C)[N@H+]2C[C@H](O)C[C@H](O)C2)n1 ZINC000674464787 487580381 /nfs/dbraw/zinc/58/03/81/487580381.db2.gz KNRZEEAEMHLATO-CNUIFLNQSA-N 1 2 227.264 -0.133 20 0 BBADLO Cc1noc([C@@H](C)[N@@H+]2C[C@H](O)C[C@H](O)C2)n1 ZINC000674464790 487580234 /nfs/dbraw/zinc/58/02/34/487580234.db2.gz KNRZEEAEMHLATO-VDAHYXPESA-N 1 2 227.264 -0.133 20 0 BBADLO Cc1noc([C@@H](C)[N@H+]2C[C@H](O)C[C@H](O)C2)n1 ZINC000674464790 487580227 /nfs/dbraw/zinc/58/02/27/487580227.db2.gz KNRZEEAEMHLATO-VDAHYXPESA-N 1 2 227.264 -0.133 20 0 BBADLO Cc1cnc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)o1 ZINC000674465037 487581304 /nfs/dbraw/zinc/58/13/04/487581304.db2.gz DKIBJTWIXHELSC-DTORHVGOSA-N 1 2 212.249 -0.089 20 0 BBADLO Cc1cnc(C[N@H+]2C[C@H](O)C[C@H](O)C2)o1 ZINC000674465037 487581299 /nfs/dbraw/zinc/58/12/99/487581299.db2.gz DKIBJTWIXHELSC-DTORHVGOSA-N 1 2 212.249 -0.089 20 0 BBADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000674465097 487581089 /nfs/dbraw/zinc/58/10/89/487581089.db2.gz DXFXKFQTMFVKAP-DTORHVGOSA-N 1 2 239.275 -0.126 20 0 BBADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000674465097 487581084 /nfs/dbraw/zinc/58/10/84/487581084.db2.gz DXFXKFQTMFVKAP-DTORHVGOSA-N 1 2 239.275 -0.126 20 0 BBADLO CCCc1noc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)n1 ZINC000674465481 487581580 /nfs/dbraw/zinc/58/15/80/487581580.db2.gz NIWUCVRRZFJEPD-DTORHVGOSA-N 1 2 241.291 -0.050 20 0 BBADLO CCCc1noc(C[N@H+]2C[C@H](O)C[C@H](O)C2)n1 ZINC000674465481 487581574 /nfs/dbraw/zinc/58/15/74/487581574.db2.gz NIWUCVRRZFJEPD-DTORHVGOSA-N 1 2 241.291 -0.050 20 0 BBADLO Cn1ccnc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674466006 487582782 /nfs/dbraw/zinc/58/27/82/487582782.db2.gz VMAJFDLUCFXGCC-DTORHVGOSA-N 1 2 211.265 -0.652 20 0 BBADLO Cn1ccnc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674466006 487582776 /nfs/dbraw/zinc/58/27/76/487582776.db2.gz VMAJFDLUCFXGCC-DTORHVGOSA-N 1 2 211.265 -0.652 20 0 BBADLO CCc1noc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)n1 ZINC000674466067 487582284 /nfs/dbraw/zinc/58/22/84/487582284.db2.gz VZNOGFXCCCFAPW-OCAPTIKFSA-N 1 2 227.264 -0.441 20 0 BBADLO CCc1noc(C[N@H+]2C[C@H](O)C[C@H](O)C2)n1 ZINC000674466067 487582280 /nfs/dbraw/zinc/58/22/80/487582280.db2.gz VZNOGFXCCCFAPW-OCAPTIKFSA-N 1 2 227.264 -0.441 20 0 BBADLO COC[C@H]1CCC[N@H+]1Cc1nnnn1C ZINC000674470674 487585635 /nfs/dbraw/zinc/58/56/35/487585635.db2.gz SJYIFRNHHXHOCL-MRVPVSSYSA-N 1 2 211.269 -0.179 20 0 BBADLO COC[C@H]1CCC[N@@H+]1Cc1nnnn1C ZINC000674470674 487585630 /nfs/dbraw/zinc/58/56/30/487585630.db2.gz SJYIFRNHHXHOCL-MRVPVSSYSA-N 1 2 211.269 -0.179 20 0 BBADLO COC[C@@H]1CCC[N@H+]1Cc1nnnn1C ZINC000674470675 487585962 /nfs/dbraw/zinc/58/59/62/487585962.db2.gz SJYIFRNHHXHOCL-QMMMGPOBSA-N 1 2 211.269 -0.179 20 0 BBADLO COC[C@@H]1CCC[N@@H+]1Cc1nnnn1C ZINC000674470675 487585959 /nfs/dbraw/zinc/58/59/59/487585959.db2.gz SJYIFRNHHXHOCL-QMMMGPOBSA-N 1 2 211.269 -0.179 20 0 BBADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2cn3cccnc3n2)C1 ZINC000674496399 487586971 /nfs/dbraw/zinc/58/69/71/487586971.db2.gz AJIQRPPGXBJNAQ-PHIMTYICSA-N 1 2 248.286 -0.343 20 0 BBADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000674496399 487586964 /nfs/dbraw/zinc/58/69/64/487586964.db2.gz AJIQRPPGXBJNAQ-PHIMTYICSA-N 1 2 248.286 -0.343 20 0 BBADLO Cn1cccc1C(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674496437 487587403 /nfs/dbraw/zinc/58/74/03/487587403.db2.gz BBDZSRUWLVSHMN-AOOOYVTPSA-N 1 2 238.287 -0.365 20 0 BBADLO Cn1cccc1C(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674496437 487587401 /nfs/dbraw/zinc/58/74/01/487587401.db2.gz BBDZSRUWLVSHMN-AOOOYVTPSA-N 1 2 238.287 -0.365 20 0 BBADLO CCn1ccnc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674498700 487587924 /nfs/dbraw/zinc/58/79/24/487587924.db2.gz UPIYAZNSUXVLIA-AOOOYVTPSA-N 1 2 225.292 -0.170 20 0 BBADLO CCn1ccnc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674498700 487587918 /nfs/dbraw/zinc/58/79/18/487587918.db2.gz UPIYAZNSUXVLIA-AOOOYVTPSA-N 1 2 225.292 -0.170 20 0 BBADLO COC[C@H]1CCC[N@H+]1Cc1nc(N)nc(N)n1 ZINC000674500276 487589018 /nfs/dbraw/zinc/58/90/18/487589018.db2.gz UBEFPKBGAANNKB-SSDOTTSWSA-N 1 2 238.295 -0.353 20 0 BBADLO COC[C@H]1CCC[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000674500276 487589017 /nfs/dbraw/zinc/58/90/17/487589017.db2.gz UBEFPKBGAANNKB-SSDOTTSWSA-N 1 2 238.295 -0.353 20 0 BBADLO COC[C@@H]1CCC[N@H+]1Cc1nc(N)nc(N)n1 ZINC000674500277 487589003 /nfs/dbraw/zinc/58/90/03/487589003.db2.gz UBEFPKBGAANNKB-ZETCQYMHSA-N 1 2 238.295 -0.353 20 0 BBADLO COC[C@@H]1CCC[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000674500277 487589001 /nfs/dbraw/zinc/58/90/01/487589001.db2.gz UBEFPKBGAANNKB-ZETCQYMHSA-N 1 2 238.295 -0.353 20 0 BBADLO C[C@H](NC(=O)[C@H](C)[NH+](C)C)c1nnc[nH]1 ZINC000674557887 487596327 /nfs/dbraw/zinc/59/63/27/487596327.db2.gz UTAJGARUDKKUPV-BQBZGAKWSA-N 1 2 211.269 -0.068 20 0 BBADLO C[C@@H](NC(=O)[C@H](C)[NH+](C)C)c1nnc[nH]1 ZINC000674557888 487596177 /nfs/dbraw/zinc/59/61/77/487596177.db2.gz UTAJGARUDKKUPV-RQJHMYQMSA-N 1 2 211.269 -0.068 20 0 BBADLO COC[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000674591653 487598129 /nfs/dbraw/zinc/59/81/29/487598129.db2.gz YFPWYFQQNAPVEK-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO COC[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000674591653 487598123 /nfs/dbraw/zinc/59/81/23/487598123.db2.gz YFPWYFQQNAPVEK-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO COC[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000674591654 487597802 /nfs/dbraw/zinc/59/78/02/487597802.db2.gz YFPWYFQQNAPVEK-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO COC[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000674591654 487597799 /nfs/dbraw/zinc/59/77/99/487597799.db2.gz YFPWYFQQNAPVEK-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO COC[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000674591655 487598184 /nfs/dbraw/zinc/59/81/84/487598184.db2.gz YFPWYFQQNAPVEK-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO COC[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000674591655 487598179 /nfs/dbraw/zinc/59/81/79/487598179.db2.gz YFPWYFQQNAPVEK-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO COC[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000674591656 487598043 /nfs/dbraw/zinc/59/80/43/487598043.db2.gz YFPWYFQQNAPVEK-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO COC[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000674591656 487598039 /nfs/dbraw/zinc/59/80/39/487598039.db2.gz YFPWYFQQNAPVEK-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO C[N@@H+](CC(=O)N1CCNC1=O)Cc1cn[nH]c1 ZINC000674752355 487611750 /nfs/dbraw/zinc/61/17/50/487611750.db2.gz KAXGYXCNZCRRNH-UHFFFAOYSA-N 1 2 237.263 -0.607 20 0 BBADLO C[N@H+](CC(=O)N1CCNC1=O)Cc1cn[nH]c1 ZINC000674752355 487611745 /nfs/dbraw/zinc/61/17/45/487611745.db2.gz KAXGYXCNZCRRNH-UHFFFAOYSA-N 1 2 237.263 -0.607 20 0 BBADLO CC[N@H+]1CCO[C@@H](C(=O)NCc2c[nH]nn2)C1 ZINC000674756329 487612934 /nfs/dbraw/zinc/61/29/34/487612934.db2.gz USPMXSYNIUUWKJ-SECBINFHSA-N 1 2 239.279 -0.858 20 0 BBADLO CC[N@@H+]1CCO[C@@H](C(=O)NCc2c[nH]nn2)C1 ZINC000674756329 487612932 /nfs/dbraw/zinc/61/29/32/487612932.db2.gz USPMXSYNIUUWKJ-SECBINFHSA-N 1 2 239.279 -0.858 20 0 BBADLO CC[N@H+]1CCO[C@H](C(=O)NCc2c[nH]nn2)C1 ZINC000674756330 487612462 /nfs/dbraw/zinc/61/24/62/487612462.db2.gz USPMXSYNIUUWKJ-VIFPVBQESA-N 1 2 239.279 -0.858 20 0 BBADLO CC[N@@H+]1CCO[C@H](C(=O)NCc2c[nH]nn2)C1 ZINC000674756330 487612458 /nfs/dbraw/zinc/61/24/58/487612458.db2.gz USPMXSYNIUUWKJ-VIFPVBQESA-N 1 2 239.279 -0.858 20 0 BBADLO O=C(CCn1cc[nH+]c1)N1C[C@H](O)C[C@H](O)C1 ZINC000674804504 487621516 /nfs/dbraw/zinc/62/15/16/487621516.db2.gz GIRLXMMISFWWGF-AOOOYVTPSA-N 1 2 239.275 -0.773 20 0 BBADLO O=C(NCc1c[nH]c[nH+]1)c1ccc2nnnn2c1 ZINC000675140240 487674006 /nfs/dbraw/zinc/67/40/06/487674006.db2.gz IRROCZLWFLOEFP-UHFFFAOYSA-N 1 2 243.230 -0.223 20 0 BBADLO O=C(NCc1c[nH+]c[nH]1)c1ccc2nnnn2c1 ZINC000675140240 487674003 /nfs/dbraw/zinc/67/40/03/487674003.db2.gz IRROCZLWFLOEFP-UHFFFAOYSA-N 1 2 243.230 -0.223 20 0 BBADLO O=C(CCCn1cc[nH+]c1)NCCn1ncnn1 ZINC000675537260 487745903 /nfs/dbraw/zinc/74/59/03/487745903.db2.gz OKQFAROISNVEHQ-UHFFFAOYSA-N 1 2 249.278 -0.534 20 0 BBADLO CC1CC[NH+](CC(=O)NCc2nn[nH]n2)CC1 ZINC000675568236 487749374 /nfs/dbraw/zinc/74/93/74/487749374.db2.gz YYGXKMDAJMBZMZ-UHFFFAOYSA-N 1 2 238.295 -0.452 20 0 BBADLO Cn1[nH]cnc1=NC(=O)CCCn1cc[nH+]c1 ZINC000675578327 487749812 /nfs/dbraw/zinc/74/98/12/487749812.db2.gz RVZBPSHLYGFHEX-UHFFFAOYSA-N 1 2 234.263 -0.148 20 0 BBADLO Cn1[nH]cnc1=NC(=O)[C@H]1CCCC[N@H+]1C ZINC000675608270 487751984 /nfs/dbraw/zinc/75/19/84/487751984.db2.gz UFQAKWAWZSKSDY-MRVPVSSYSA-N 1 2 223.280 -0.340 20 0 BBADLO Cn1[nH]cnc1=NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000675608270 487751980 /nfs/dbraw/zinc/75/19/80/487751980.db2.gz UFQAKWAWZSKSDY-MRVPVSSYSA-N 1 2 223.280 -0.340 20 0 BBADLO Cn1[nH]cnc1=NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000675608271 487751946 /nfs/dbraw/zinc/75/19/46/487751946.db2.gz UFQAKWAWZSKSDY-QMMMGPOBSA-N 1 2 223.280 -0.340 20 0 BBADLO Cn1[nH]cnc1=NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000675608271 487751941 /nfs/dbraw/zinc/75/19/41/487751941.db2.gz UFQAKWAWZSKSDY-QMMMGPOBSA-N 1 2 223.280 -0.340 20 0 BBADLO Cc1nc(NCC(=O)N(C)C)nc(N(C)C)[nH+]1 ZINC000675720363 487769747 /nfs/dbraw/zinc/76/97/47/487769747.db2.gz PSYGBRTXCFAJNB-UHFFFAOYSA-N 1 2 238.295 -0.254 20 0 BBADLO Cc1nc(N(C)C)nc(NCC(=O)N(C)C)[nH+]1 ZINC000675720363 487769740 /nfs/dbraw/zinc/76/97/40/487769740.db2.gz PSYGBRTXCFAJNB-UHFFFAOYSA-N 1 2 238.295 -0.254 20 0 BBADLO CNC(=O)CN(C)c1nc(N(C)C)nc(C)[nH+]1 ZINC000675720636 487769911 /nfs/dbraw/zinc/76/99/11/487769911.db2.gz YZRGEDYAWSHBRP-UHFFFAOYSA-N 1 2 238.295 -0.572 20 0 BBADLO CNC(=O)CN(C)c1nc(C)[nH+]c(N(C)C)n1 ZINC000675720636 487769907 /nfs/dbraw/zinc/76/99/07/487769907.db2.gz YZRGEDYAWSHBRP-UHFFFAOYSA-N 1 2 238.295 -0.572 20 0 BBADLO Cc1nc(N(C)C)nc(N(C)CC(N)=O)[nH+]1 ZINC000675720852 487769860 /nfs/dbraw/zinc/76/98/60/487769860.db2.gz OJQZPGOMEVMKHN-UHFFFAOYSA-N 1 2 224.268 -0.832 20 0 BBADLO Cc1nc(N(C)CC(N)=O)nc(N(C)C)[nH+]1 ZINC000675720852 487769855 /nfs/dbraw/zinc/76/98/55/487769855.db2.gz OJQZPGOMEVMKHN-UHFFFAOYSA-N 1 2 224.268 -0.832 20 0 BBADLO CCNC(=O)C[N@@H+](C)CCN1CCNC1=O ZINC000675889543 487785265 /nfs/dbraw/zinc/78/52/65/487785265.db2.gz LIFFXQVNJWROAO-UHFFFAOYSA-N 1 2 228.296 -0.921 20 0 BBADLO CCNC(=O)C[N@H+](C)CCN1CCNC1=O ZINC000675889543 487785260 /nfs/dbraw/zinc/78/52/60/487785260.db2.gz LIFFXQVNJWROAO-UHFFFAOYSA-N 1 2 228.296 -0.921 20 0 BBADLO C[C@@H](C(=O)NC[C@H]1CCCS1(=O)=O)[NH+](C)C ZINC000675917456 488139437 /nfs/dbraw/zinc/13/94/37/488139437.db2.gz HTGWXFYFISKWIB-DTWKUNHWSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@@H](C(=O)NC[C@@H]1CCCS1(=O)=O)[NH+](C)C ZINC000675917457 488139252 /nfs/dbraw/zinc/13/92/52/488139252.db2.gz HTGWXFYFISKWIB-IUCAKERBSA-N 1 2 248.348 -0.370 20 0 BBADLO CCNC(=O)C[N@@H+](C)[C@@H]1CCCNC1=O ZINC000675952868 487796404 /nfs/dbraw/zinc/79/64/04/487796404.db2.gz DVMQVNJPDBLDPD-MRVPVSSYSA-N 1 2 213.281 -0.667 20 0 BBADLO CCNC(=O)C[N@H+](C)[C@@H]1CCCNC1=O ZINC000675952868 487796398 /nfs/dbraw/zinc/79/63/98/487796398.db2.gz DVMQVNJPDBLDPD-MRVPVSSYSA-N 1 2 213.281 -0.667 20 0 BBADLO CCNC(=O)C[N@@H+](C)[C@H]1CCCNC1=O ZINC000675952870 487797120 /nfs/dbraw/zinc/79/71/20/487797120.db2.gz DVMQVNJPDBLDPD-QMMMGPOBSA-N 1 2 213.281 -0.667 20 0 BBADLO CCNC(=O)C[N@H+](C)[C@H]1CCCNC1=O ZINC000675952870 487797117 /nfs/dbraw/zinc/79/71/17/487797117.db2.gz DVMQVNJPDBLDPD-QMMMGPOBSA-N 1 2 213.281 -0.667 20 0 BBADLO Cc1cc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)nn1C ZINC000676040765 487803234 /nfs/dbraw/zinc/80/32/34/487803234.db2.gz QKXUELPRJYWEHT-PHIMTYICSA-N 1 2 225.292 -0.344 20 0 BBADLO Cc1cc(C[N@H+]2C[C@H](O)C[C@H](O)C2)nn1C ZINC000676040765 487803231 /nfs/dbraw/zinc/80/32/31/487803231.db2.gz QKXUELPRJYWEHT-PHIMTYICSA-N 1 2 225.292 -0.344 20 0 BBADLO Cc1cc(C[NH+](CCO)CCO)nn1C ZINC000676052449 487806708 /nfs/dbraw/zinc/80/67/08/487806708.db2.gz UBMAGVKYLDJWQB-UHFFFAOYSA-N 1 2 213.281 -0.485 20 0 BBADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCCF ZINC000676063736 487807404 /nfs/dbraw/zinc/80/74/04/487807404.db2.gz DECIKBNLWCVMAK-UHFFFAOYSA-N 1 2 247.314 -0.081 20 0 BBADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NCCCF ZINC000676063736 487807401 /nfs/dbraw/zinc/80/74/01/487807401.db2.gz DECIKBNLWCVMAK-UHFFFAOYSA-N 1 2 247.314 -0.081 20 0 BBADLO Cc1nc(NCCNC(N)=O)nc(N(C)C)[nH+]1 ZINC000676080780 487811507 /nfs/dbraw/zinc/81/15/07/487811507.db2.gz XREUXHCDKPDWDI-UHFFFAOYSA-N 1 2 239.283 -0.674 20 0 BBADLO Cc1nc(N(C)C)nc(NCCNC(N)=O)[nH+]1 ZINC000676080780 487811501 /nfs/dbraw/zinc/81/15/01/487811501.db2.gz XREUXHCDKPDWDI-UHFFFAOYSA-N 1 2 239.283 -0.674 20 0 BBADLO O=C(NCCCO)c1ccc(-n2cc[nH+]c2)nn1 ZINC000676112157 487815439 /nfs/dbraw/zinc/81/54/39/487815439.db2.gz COPHMQCJKMYBRT-UHFFFAOYSA-N 1 2 247.258 -0.226 20 0 BBADLO CNc1cc2c(nn1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC000676240813 487828558 /nfs/dbraw/zinc/82/85/58/487828558.db2.gz ZNBREISKYSEMMP-JTQLQIEISA-N 1 2 247.302 -0.235 20 0 BBADLO CNc1cc2c(nn1)CC[N@@H+]([C@H]1CCNC1=O)C2 ZINC000676240813 487828552 /nfs/dbraw/zinc/82/85/52/487828552.db2.gz ZNBREISKYSEMMP-JTQLQIEISA-N 1 2 247.302 -0.235 20 0 BBADLO CNc1cc2c(nn1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC000676240814 487827883 /nfs/dbraw/zinc/82/78/83/487827883.db2.gz ZNBREISKYSEMMP-SNVBAGLBSA-N 1 2 247.302 -0.235 20 0 BBADLO CNc1cc2c(nn1)CC[N@@H+]([C@@H]1CCNC1=O)C2 ZINC000676240814 487827879 /nfs/dbraw/zinc/82/78/79/487827879.db2.gz ZNBREISKYSEMMP-SNVBAGLBSA-N 1 2 247.302 -0.235 20 0 BBADLO C[C@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000676363608 487843055 /nfs/dbraw/zinc/84/30/55/487843055.db2.gz QHLJAOQSSYXPGF-MRVPVSSYSA-N 1 2 247.258 -0.227 20 0 BBADLO O=C1NCCN1CC[N@H+]1CCc2c[nH]nc2C1 ZINC000676372897 487842647 /nfs/dbraw/zinc/84/26/47/487842647.db2.gz BMWHNBBTWLXHDP-UHFFFAOYSA-N 1 2 235.291 -0.207 20 0 BBADLO O=C1NCCN1CC[N@@H+]1CCc2c[nH]nc2C1 ZINC000676372897 487842643 /nfs/dbraw/zinc/84/26/43/487842643.db2.gz BMWHNBBTWLXHDP-UHFFFAOYSA-N 1 2 235.291 -0.207 20 0 BBADLO CCNC(=O)C[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC000676404996 487847851 /nfs/dbraw/zinc/84/78/51/487847851.db2.gz FDEGXVKQDRQLAN-MRVPVSSYSA-N 1 2 215.297 -0.469 20 0 BBADLO CCNC(=O)C[N@H+](C)[C@H](C)C(=O)N(C)C ZINC000676404996 487847845 /nfs/dbraw/zinc/84/78/45/487847845.db2.gz FDEGXVKQDRQLAN-MRVPVSSYSA-N 1 2 215.297 -0.469 20 0 BBADLO CCNC(=O)C[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC000676404997 487847597 /nfs/dbraw/zinc/84/75/97/487847597.db2.gz FDEGXVKQDRQLAN-QMMMGPOBSA-N 1 2 215.297 -0.469 20 0 BBADLO CCNC(=O)C[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC000676404997 487847593 /nfs/dbraw/zinc/84/75/93/487847593.db2.gz FDEGXVKQDRQLAN-QMMMGPOBSA-N 1 2 215.297 -0.469 20 0 BBADLO C[C@@H](NC(=O)c1ncn[nH]1)[C@H]1C[N@@H+](C)CCO1 ZINC000676534677 487868972 /nfs/dbraw/zinc/86/89/72/487868972.db2.gz FXIUZFGCVVQTLJ-HTQZYQBOSA-N 1 2 239.279 -0.746 20 0 BBADLO C[C@@H](NC(=O)c1ncn[nH]1)[C@H]1C[N@H+](C)CCO1 ZINC000676534677 487868969 /nfs/dbraw/zinc/86/89/69/487868969.db2.gz FXIUZFGCVVQTLJ-HTQZYQBOSA-N 1 2 239.279 -0.746 20 0 BBADLO C[C@@H](NC(=O)c1nnc[nH]1)[C@H]1C[N@@H+](C)CCO1 ZINC000676534677 487868964 /nfs/dbraw/zinc/86/89/64/487868964.db2.gz FXIUZFGCVVQTLJ-HTQZYQBOSA-N 1 2 239.279 -0.746 20 0 BBADLO C[C@@H](NC(=O)c1nnc[nH]1)[C@H]1C[N@H+](C)CCO1 ZINC000676534677 487868960 /nfs/dbraw/zinc/86/89/60/487868960.db2.gz FXIUZFGCVVQTLJ-HTQZYQBOSA-N 1 2 239.279 -0.746 20 0 BBADLO C[C@H](NC(=O)c1ncn[nH]1)[C@H]1C[N@@H+](C)CCO1 ZINC000676534679 487868854 /nfs/dbraw/zinc/86/88/54/487868854.db2.gz FXIUZFGCVVQTLJ-JGVFFNPUSA-N 1 2 239.279 -0.746 20 0 BBADLO C[C@H](NC(=O)c1ncn[nH]1)[C@H]1C[N@H+](C)CCO1 ZINC000676534679 487868849 /nfs/dbraw/zinc/86/88/49/487868849.db2.gz FXIUZFGCVVQTLJ-JGVFFNPUSA-N 1 2 239.279 -0.746 20 0 BBADLO C[C@H](NC(=O)c1nnc[nH]1)[C@H]1C[N@@H+](C)CCO1 ZINC000676534679 487868848 /nfs/dbraw/zinc/86/88/48/487868848.db2.gz FXIUZFGCVVQTLJ-JGVFFNPUSA-N 1 2 239.279 -0.746 20 0 BBADLO C[C@H](NC(=O)c1nnc[nH]1)[C@H]1C[N@H+](C)CCO1 ZINC000676534679 487868844 /nfs/dbraw/zinc/86/88/44/487868844.db2.gz FXIUZFGCVVQTLJ-JGVFFNPUSA-N 1 2 239.279 -0.746 20 0 BBADLO C[C@@H](NC(=O)c1ncn[nH]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676534680 487868898 /nfs/dbraw/zinc/86/88/98/487868898.db2.gz FXIUZFGCVVQTLJ-SFYZADRCSA-N 1 2 239.279 -0.746 20 0 BBADLO C[C@@H](NC(=O)c1ncn[nH]1)[C@@H]1C[N@H+](C)CCO1 ZINC000676534680 487868896 /nfs/dbraw/zinc/86/88/96/487868896.db2.gz FXIUZFGCVVQTLJ-SFYZADRCSA-N 1 2 239.279 -0.746 20 0 BBADLO C[C@@H](NC(=O)c1nnc[nH]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676534680 487868891 /nfs/dbraw/zinc/86/88/91/487868891.db2.gz FXIUZFGCVVQTLJ-SFYZADRCSA-N 1 2 239.279 -0.746 20 0 BBADLO C[C@@H](NC(=O)c1nnc[nH]1)[C@@H]1C[N@H+](C)CCO1 ZINC000676534680 487868887 /nfs/dbraw/zinc/86/88/87/487868887.db2.gz FXIUZFGCVVQTLJ-SFYZADRCSA-N 1 2 239.279 -0.746 20 0 BBADLO C[C@H](NC(=O)c1ncn[nH]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676534681 487683742 /nfs/dbraw/zinc/68/37/42/487683742.db2.gz FXIUZFGCVVQTLJ-YUMQZZPRSA-N 1 2 239.279 -0.746 20 0 BBADLO C[C@H](NC(=O)c1ncn[nH]1)[C@@H]1C[N@H+](C)CCO1 ZINC000676534681 487683737 /nfs/dbraw/zinc/68/37/37/487683737.db2.gz FXIUZFGCVVQTLJ-YUMQZZPRSA-N 1 2 239.279 -0.746 20 0 BBADLO C[C@H](NC(=O)c1nnc[nH]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676534681 487683732 /nfs/dbraw/zinc/68/37/32/487683732.db2.gz FXIUZFGCVVQTLJ-YUMQZZPRSA-N 1 2 239.279 -0.746 20 0 BBADLO C[C@H](NC(=O)c1nnc[nH]1)[C@@H]1C[N@H+](C)CCO1 ZINC000676534681 487683730 /nfs/dbraw/zinc/68/37/30/487683730.db2.gz FXIUZFGCVVQTLJ-YUMQZZPRSA-N 1 2 239.279 -0.746 20 0 BBADLO C[C@@H]1COCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000676538647 487870384 /nfs/dbraw/zinc/87/03/84/487870384.db2.gz SALRHYCNZHVKSE-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@@H]1COCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000676538647 487870380 /nfs/dbraw/zinc/87/03/80/487870380.db2.gz SALRHYCNZHVKSE-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@@H]1COCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000676538648 487870333 /nfs/dbraw/zinc/87/03/33/487870333.db2.gz SALRHYCNZHVKSE-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@@H]1COCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000676538648 487870329 /nfs/dbraw/zinc/87/03/29/487870329.db2.gz SALRHYCNZHVKSE-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@H]1COCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000676538649 487870706 /nfs/dbraw/zinc/87/07/06/487870706.db2.gz SALRHYCNZHVKSE-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@H]1COCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000676538649 487870700 /nfs/dbraw/zinc/87/07/00/487870700.db2.gz SALRHYCNZHVKSE-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@H]1COCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000676538650 487870206 /nfs/dbraw/zinc/87/02/06/487870206.db2.gz SALRHYCNZHVKSE-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@H]1COCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000676538650 487870198 /nfs/dbraw/zinc/87/01/98/487870198.db2.gz SALRHYCNZHVKSE-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO CCc1noc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)n1 ZINC000676555002 487871039 /nfs/dbraw/zinc/87/10/39/487871039.db2.gz CJNJVWMRSOCGHO-BDAKNGLRSA-N 1 2 241.291 -0.193 20 0 BBADLO CCc1noc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)n1 ZINC000676555002 487871034 /nfs/dbraw/zinc/87/10/34/487871034.db2.gz CJNJVWMRSOCGHO-BDAKNGLRSA-N 1 2 241.291 -0.193 20 0 BBADLO CCc1noc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)n1 ZINC000676555005 487871227 /nfs/dbraw/zinc/87/12/27/487871227.db2.gz CJNJVWMRSOCGHO-DTWKUNHWSA-N 1 2 241.291 -0.193 20 0 BBADLO CCc1noc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)n1 ZINC000676555005 487871222 /nfs/dbraw/zinc/87/12/22/487871222.db2.gz CJNJVWMRSOCGHO-DTWKUNHWSA-N 1 2 241.291 -0.193 20 0 BBADLO CCc1noc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)n1 ZINC000676555007 487871509 /nfs/dbraw/zinc/87/15/09/487871509.db2.gz CJNJVWMRSOCGHO-IUCAKERBSA-N 1 2 241.291 -0.193 20 0 BBADLO CCc1noc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)n1 ZINC000676555007 487871507 /nfs/dbraw/zinc/87/15/07/487871507.db2.gz CJNJVWMRSOCGHO-IUCAKERBSA-N 1 2 241.291 -0.193 20 0 BBADLO CCc1noc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)n1 ZINC000676555008 487871127 /nfs/dbraw/zinc/87/11/27/487871127.db2.gz CJNJVWMRSOCGHO-RKDXNWHRSA-N 1 2 241.291 -0.193 20 0 BBADLO CCc1noc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)n1 ZINC000676555008 487871122 /nfs/dbraw/zinc/87/11/22/487871122.db2.gz CJNJVWMRSOCGHO-RKDXNWHRSA-N 1 2 241.291 -0.193 20 0 BBADLO Cc1cc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)nn1C ZINC000676555032 487871160 /nfs/dbraw/zinc/87/11/60/487871160.db2.gz CRWHBCDIPCUOLG-CMPLNLGQSA-N 1 2 239.319 -0.096 20 0 BBADLO Cc1cc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)nn1C ZINC000676555032 487871156 /nfs/dbraw/zinc/87/11/56/487871156.db2.gz CRWHBCDIPCUOLG-CMPLNLGQSA-N 1 2 239.319 -0.096 20 0 BBADLO Cc1cc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)nn1C ZINC000676555033 487871824 /nfs/dbraw/zinc/87/18/24/487871824.db2.gz CRWHBCDIPCUOLG-JQWIXIFHSA-N 1 2 239.319 -0.096 20 0 BBADLO Cc1cc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)nn1C ZINC000676555033 487871820 /nfs/dbraw/zinc/87/18/20/487871820.db2.gz CRWHBCDIPCUOLG-JQWIXIFHSA-N 1 2 239.319 -0.096 20 0 BBADLO Cc1cc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)nn1C ZINC000676555034 487871518 /nfs/dbraw/zinc/87/15/18/487871518.db2.gz CRWHBCDIPCUOLG-PWSUYJOCSA-N 1 2 239.319 -0.096 20 0 BBADLO Cc1cc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)nn1C ZINC000676555034 487871515 /nfs/dbraw/zinc/87/15/15/487871515.db2.gz CRWHBCDIPCUOLG-PWSUYJOCSA-N 1 2 239.319 -0.096 20 0 BBADLO Cc1cc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)nn1C ZINC000676555035 487871476 /nfs/dbraw/zinc/87/14/76/487871476.db2.gz CRWHBCDIPCUOLG-ZYHUDNBSSA-N 1 2 239.319 -0.096 20 0 BBADLO Cc1cc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)nn1C ZINC000676555035 487871472 /nfs/dbraw/zinc/87/14/72/487871472.db2.gz CRWHBCDIPCUOLG-ZYHUDNBSSA-N 1 2 239.319 -0.096 20 0 BBADLO Cn1ccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)n1 ZINC000676594178 487878845 /nfs/dbraw/zinc/87/88/45/487878845.db2.gz MUEHFERNPWMHGY-JTQLQIEISA-N 1 2 249.318 -0.850 20 0 BBADLO Cn1ccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)n1 ZINC000676594180 487878484 /nfs/dbraw/zinc/87/84/84/487878484.db2.gz MUEHFERNPWMHGY-SNVBAGLBSA-N 1 2 249.318 -0.850 20 0 BBADLO NC(=O)C1(NC(=O)CCn2cc[nH+]c2)CCC1 ZINC000676671081 487889457 /nfs/dbraw/zinc/88/94/57/487889457.db2.gz HYVWEZTWLVSKPS-UHFFFAOYSA-N 1 2 236.275 -0.203 20 0 BBADLO CN1CC(=O)N(CC[NH+]2CCOCC2)C1=O ZINC000676703410 487895556 /nfs/dbraw/zinc/89/55/56/487895556.db2.gz OEUNUJCRATURGM-UHFFFAOYSA-N 1 2 227.264 -0.787 20 0 BBADLO COCCCNC(=O)C[N@@H+](C)Cc1cn[nH]c1 ZINC000676705440 487895617 /nfs/dbraw/zinc/89/56/17/487895617.db2.gz YLFNQPFZSYODIY-UHFFFAOYSA-N 1 2 240.307 -0.006 20 0 BBADLO COCCCNC(=O)C[N@H+](C)Cc1cn[nH]c1 ZINC000676705440 487895614 /nfs/dbraw/zinc/89/56/14/487895614.db2.gz YLFNQPFZSYODIY-UHFFFAOYSA-N 1 2 240.307 -0.006 20 0 BBADLO C[C@@H]1COCCC[N@H+]1Cc1nc(N)nc(N)n1 ZINC000676712749 487900943 /nfs/dbraw/zinc/90/09/43/487900943.db2.gz KSPMFPQSYSFTOB-SSDOTTSWSA-N 1 2 238.295 -0.353 20 0 BBADLO C[C@@H]1COCCC[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000676712749 487900940 /nfs/dbraw/zinc/90/09/40/487900940.db2.gz KSPMFPQSYSFTOB-SSDOTTSWSA-N 1 2 238.295 -0.353 20 0 BBADLO C[C@H]1COCCC[N@H+]1Cc1nc(N)nc(N)n1 ZINC000676712752 487901120 /nfs/dbraw/zinc/90/11/20/487901120.db2.gz KSPMFPQSYSFTOB-ZETCQYMHSA-N 1 2 238.295 -0.353 20 0 BBADLO C[C@H]1COCCC[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000676712752 487901117 /nfs/dbraw/zinc/90/11/17/487901117.db2.gz KSPMFPQSYSFTOB-ZETCQYMHSA-N 1 2 238.295 -0.353 20 0 BBADLO C[C@@H]1COCCC[N@H+]1Cc1nnnn1C ZINC000676712844 487900699 /nfs/dbraw/zinc/90/06/99/487900699.db2.gz NGYLCHCPCPGGCE-MRVPVSSYSA-N 1 2 211.269 -0.179 20 0 BBADLO C[C@@H]1COCCC[N@@H+]1Cc1nnnn1C ZINC000676712844 487900695 /nfs/dbraw/zinc/90/06/95/487900695.db2.gz NGYLCHCPCPGGCE-MRVPVSSYSA-N 1 2 211.269 -0.179 20 0 BBADLO C[C@H]1COCCC[N@H+]1Cc1nnnn1C ZINC000676712845 487900770 /nfs/dbraw/zinc/90/07/70/487900770.db2.gz NGYLCHCPCPGGCE-QMMMGPOBSA-N 1 2 211.269 -0.179 20 0 BBADLO C[C@H]1COCCC[N@@H+]1Cc1nnnn1C ZINC000676712845 487900767 /nfs/dbraw/zinc/90/07/67/487900767.db2.gz NGYLCHCPCPGGCE-QMMMGPOBSA-N 1 2 211.269 -0.179 20 0 BBADLO CCC[C@@H](O)CC(=O)NCC[NH+]1CCOCC1 ZINC000676734413 487734757 /nfs/dbraw/zinc/73/47/57/487734757.db2.gz WOSHYENITWOKJB-LLVKDONJSA-N 1 2 244.335 -0.014 20 0 BBADLO CCC[C@H](O)CC(=O)NCC[NH+]1CCOCC1 ZINC000676734414 487734464 /nfs/dbraw/zinc/73/44/64/487734464.db2.gz WOSHYENITWOKJB-NSHDSACASA-N 1 2 244.335 -0.014 20 0 BBADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccno2)C1 ZINC000676739485 487910870 /nfs/dbraw/zinc/91/08/70/487910870.db2.gz XFTRACWHHMJUFE-SECBINFHSA-N 1 2 245.304 -0.202 20 0 BBADLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccno2)C1 ZINC000676739485 487910865 /nfs/dbraw/zinc/91/08/65/487910865.db2.gz XFTRACWHHMJUFE-SECBINFHSA-N 1 2 245.304 -0.202 20 0 BBADLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccno2)C1 ZINC000676739562 487911265 /nfs/dbraw/zinc/91/12/65/487911265.db2.gz XFTRACWHHMJUFE-VIFPVBQESA-N 1 2 245.304 -0.202 20 0 BBADLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccno2)C1 ZINC000676739562 487911259 /nfs/dbraw/zinc/91/12/59/487911259.db2.gz XFTRACWHHMJUFE-VIFPVBQESA-N 1 2 245.304 -0.202 20 0 BBADLO CNS(=O)(=O)[C@@H]1CCN(Cc2[nH]cc[nH+]2)C1 ZINC000676740394 487911477 /nfs/dbraw/zinc/91/14/77/487911477.db2.gz FETJUIALXADVAH-MRVPVSSYSA-N 1 2 244.320 -0.467 20 0 BBADLO CNS(=O)(=O)[C@H]1CCN(Cc2[nH]cc[nH+]2)C1 ZINC000676740395 487910909 /nfs/dbraw/zinc/91/09/09/487910909.db2.gz FETJUIALXADVAH-QMMMGPOBSA-N 1 2 244.320 -0.467 20 0 BBADLO Cn1nnnc1C[N@H+]1CCc2c[nH]nc2C1 ZINC000676792661 487928313 /nfs/dbraw/zinc/92/83/13/487928313.db2.gz QQZYYTKLZIOWGT-UHFFFAOYSA-N 1 2 219.252 -0.509 20 0 BBADLO Cn1nnnc1C[N@@H+]1CCc2c[nH]nc2C1 ZINC000676792661 487928309 /nfs/dbraw/zinc/92/83/09/487928309.db2.gz QQZYYTKLZIOWGT-UHFFFAOYSA-N 1 2 219.252 -0.509 20 0 BBADLO COC[C@H](O)C[N@H+]1CCc2cn[nH]c2C1 ZINC000676792981 487930422 /nfs/dbraw/zinc/93/04/22/487930422.db2.gz HYAGGYRYWNZUSV-SECBINFHSA-N 1 2 211.265 -0.225 20 0 BBADLO COC[C@H](O)C[N@@H+]1CCc2cn[nH]c2C1 ZINC000676792981 487930417 /nfs/dbraw/zinc/93/04/17/487930417.db2.gz HYAGGYRYWNZUSV-SECBINFHSA-N 1 2 211.265 -0.225 20 0 BBADLO COC[C@H](O)C[N@H+]1CCc2c[nH]nc2C1 ZINC000676792981 487930413 /nfs/dbraw/zinc/93/04/13/487930413.db2.gz HYAGGYRYWNZUSV-SECBINFHSA-N 1 2 211.265 -0.225 20 0 BBADLO COC[C@H](O)C[N@@H+]1CCc2c[nH]nc2C1 ZINC000676792981 487930408 /nfs/dbraw/zinc/93/04/08/487930408.db2.gz HYAGGYRYWNZUSV-SECBINFHSA-N 1 2 211.265 -0.225 20 0 BBADLO COC[C@@H](O)C[N@H+]1CCc2cn[nH]c2C1 ZINC000676792982 487931418 /nfs/dbraw/zinc/93/14/18/487931418.db2.gz HYAGGYRYWNZUSV-VIFPVBQESA-N 1 2 211.265 -0.225 20 0 BBADLO COC[C@@H](O)C[N@@H+]1CCc2cn[nH]c2C1 ZINC000676792982 487931417 /nfs/dbraw/zinc/93/14/17/487931417.db2.gz HYAGGYRYWNZUSV-VIFPVBQESA-N 1 2 211.265 -0.225 20 0 BBADLO COC[C@@H](O)C[N@H+]1CCc2c[nH]nc2C1 ZINC000676792982 487931416 /nfs/dbraw/zinc/93/14/16/487931416.db2.gz HYAGGYRYWNZUSV-VIFPVBQESA-N 1 2 211.265 -0.225 20 0 BBADLO COC[C@@H](O)C[N@@H+]1CCc2c[nH]nc2C1 ZINC000676792982 487931414 /nfs/dbraw/zinc/93/14/14/487931414.db2.gz HYAGGYRYWNZUSV-VIFPVBQESA-N 1 2 211.265 -0.225 20 0 BBADLO O=C1CCC(=O)N1CC[N@H+]1CCc2c[nH]nc2C1 ZINC000676795719 487931473 /nfs/dbraw/zinc/93/14/73/487931473.db2.gz OKCUCZFINMMTCN-UHFFFAOYSA-N 1 2 248.286 -0.083 20 0 BBADLO O=C1CCC(=O)N1CC[N@@H+]1CCc2c[nH]nc2C1 ZINC000676795719 487931470 /nfs/dbraw/zinc/93/14/70/487931470.db2.gz OKCUCZFINMMTCN-UHFFFAOYSA-N 1 2 248.286 -0.083 20 0 BBADLO OCCOCC[N@H+]1CCc2c[nH]nc2C1 ZINC000676796287 487932352 /nfs/dbraw/zinc/93/23/52/487932352.db2.gz HPCPPMUKFWITQW-UHFFFAOYSA-N 1 2 211.265 -0.223 20 0 BBADLO OCCOCC[N@@H+]1CCc2c[nH]nc2C1 ZINC000676796287 487932348 /nfs/dbraw/zinc/93/23/48/487932348.db2.gz HPCPPMUKFWITQW-UHFFFAOYSA-N 1 2 211.265 -0.223 20 0 BBADLO OCCOCC[N@H+]1CCc2cn[nH]c2C1 ZINC000676796287 487932345 /nfs/dbraw/zinc/93/23/45/487932345.db2.gz HPCPPMUKFWITQW-UHFFFAOYSA-N 1 2 211.265 -0.223 20 0 BBADLO OCCOCC[N@@H+]1CCc2cn[nH]c2C1 ZINC000676796287 487932342 /nfs/dbraw/zinc/93/23/42/487932342.db2.gz HPCPPMUKFWITQW-UHFFFAOYSA-N 1 2 211.265 -0.223 20 0 BBADLO CC[N@@H+](CC(=O)NCc1nn[nH]n1)C1CC1 ZINC000676841763 487937016 /nfs/dbraw/zinc/93/70/16/487937016.db2.gz WGQFDLCPNKTEJV-UHFFFAOYSA-N 1 2 224.268 -0.700 20 0 BBADLO CC[N@H+](CC(=O)NCc1nn[nH]n1)C1CC1 ZINC000676841763 487937011 /nfs/dbraw/zinc/93/70/11/487937011.db2.gz WGQFDLCPNKTEJV-UHFFFAOYSA-N 1 2 224.268 -0.700 20 0 BBADLO C[C@@H]1C[C@H]1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000677133520 487895388 /nfs/dbraw/zinc/89/53/88/487895388.db2.gz AVEMQHKISDZXHE-NXEZZACHSA-N 1 2 239.319 -0.420 20 0 BBADLO C[C@@H]1C[C@H]1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000677133520 487895382 /nfs/dbraw/zinc/89/53/82/487895382.db2.gz AVEMQHKISDZXHE-NXEZZACHSA-N 1 2 239.319 -0.420 20 0 BBADLO C[C@H]1C[C@@H]1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000677133521 487895611 /nfs/dbraw/zinc/89/56/11/487895611.db2.gz AVEMQHKISDZXHE-UWVGGRQHSA-N 1 2 239.319 -0.420 20 0 BBADLO C[C@H]1C[C@@H]1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000677133521 487895606 /nfs/dbraw/zinc/89/56/06/487895606.db2.gz AVEMQHKISDZXHE-UWVGGRQHSA-N 1 2 239.319 -0.420 20 0 BBADLO C[C@H]1C[C@H]1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000677133522 487895669 /nfs/dbraw/zinc/89/56/69/487895669.db2.gz AVEMQHKISDZXHE-VHSXEESVSA-N 1 2 239.319 -0.420 20 0 BBADLO C[C@H]1C[C@H]1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000677133522 487895665 /nfs/dbraw/zinc/89/56/65/487895665.db2.gz AVEMQHKISDZXHE-VHSXEESVSA-N 1 2 239.319 -0.420 20 0 BBADLO C[C@@H]1C[C@@H]1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000677133523 487895703 /nfs/dbraw/zinc/89/57/03/487895703.db2.gz AVEMQHKISDZXHE-ZJUUUORDSA-N 1 2 239.319 -0.420 20 0 BBADLO C[C@@H]1C[C@@H]1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000677133523 487895700 /nfs/dbraw/zinc/89/57/00/487895700.db2.gz AVEMQHKISDZXHE-ZJUUUORDSA-N 1 2 239.319 -0.420 20 0 BBADLO C[C@H](CNC(=O)[C@H](C)[NH+](C)C)S(C)(=O)=O ZINC000677184946 487993488 /nfs/dbraw/zinc/99/34/88/487993488.db2.gz BLKHFSIEQDDRAA-SFYZADRCSA-N 1 2 236.337 -0.514 20 0 BBADLO C[C@@H](CNC(=O)[C@H](C)[NH+](C)C)S(C)(=O)=O ZINC000677184947 487993961 /nfs/dbraw/zinc/99/39/61/487993961.db2.gz BLKHFSIEQDDRAA-YUMQZZPRSA-N 1 2 236.337 -0.514 20 0 BBADLO CCN1CC[N@H+]([C@@H]2CCNC2=O)C[C@H]1C ZINC000677196041 487986249 /nfs/dbraw/zinc/98/62/49/487986249.db2.gz QZJRSZLLLXKICB-NXEZZACHSA-N 1 2 211.309 -0.099 20 0 BBADLO CCN1CC[N@@H+]([C@@H]2CCNC2=O)C[C@H]1C ZINC000677196041 487986244 /nfs/dbraw/zinc/98/62/44/487986244.db2.gz QZJRSZLLLXKICB-NXEZZACHSA-N 1 2 211.309 -0.099 20 0 BBADLO CCN1CC[N@H+]([C@H]2CCNC2=O)C[C@@H]1C ZINC000677196059 487986179 /nfs/dbraw/zinc/98/61/79/487986179.db2.gz QZJRSZLLLXKICB-UWVGGRQHSA-N 1 2 211.309 -0.099 20 0 BBADLO CCN1CC[N@@H+]([C@H]2CCNC2=O)C[C@@H]1C ZINC000677196059 487986176 /nfs/dbraw/zinc/98/61/76/487986176.db2.gz QZJRSZLLLXKICB-UWVGGRQHSA-N 1 2 211.309 -0.099 20 0 BBADLO CCN1CC[N@H+]([C@@H]2CCNC2=O)C[C@@H]1C ZINC000677196061 487986406 /nfs/dbraw/zinc/98/64/06/487986406.db2.gz QZJRSZLLLXKICB-VHSXEESVSA-N 1 2 211.309 -0.099 20 0 BBADLO CCN1CC[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1C ZINC000677196061 487986400 /nfs/dbraw/zinc/98/64/00/487986400.db2.gz QZJRSZLLLXKICB-VHSXEESVSA-N 1 2 211.309 -0.099 20 0 BBADLO CCN1CC[N@H+]([C@H]2CCNC2=O)C[C@H]1C ZINC000677196064 487987619 /nfs/dbraw/zinc/98/76/19/487987619.db2.gz QZJRSZLLLXKICB-ZJUUUORDSA-N 1 2 211.309 -0.099 20 0 BBADLO CCN1CC[N@@H+]([C@H]2CCNC2=O)C[C@H]1C ZINC000677196064 487987612 /nfs/dbraw/zinc/98/76/12/487987612.db2.gz QZJRSZLLLXKICB-ZJUUUORDSA-N 1 2 211.309 -0.099 20 0 BBADLO Cc1[nH]c(C(=O)NC2(C(N)=O)CCC2)c[nH+]1 ZINC000677293845 488010140 /nfs/dbraw/zinc/01/01/40/488010140.db2.gz YDVICGCQAFKLGC-UHFFFAOYSA-N 1 2 222.248 -0.144 20 0 BBADLO CN(c1[nH+]cnc2c1cnn2C)[C@@H]1CCNC1=O ZINC000677510542 488059969 /nfs/dbraw/zinc/05/99/69/488059969.db2.gz HFBAPYWNBQRDBB-MRVPVSSYSA-N 1 2 246.274 -0.312 20 0 BBADLO CN(c1[nH+]cnc2c1cnn2C)[C@H]1CCNC1=O ZINC000677510545 488059835 /nfs/dbraw/zinc/05/98/35/488059835.db2.gz HFBAPYWNBQRDBB-QMMMGPOBSA-N 1 2 246.274 -0.312 20 0 BBADLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cnco2)CC1 ZINC000677543953 488069193 /nfs/dbraw/zinc/06/91/93/488069193.db2.gz ZXSMPTKAUHUOHO-SECBINFHSA-N 1 2 239.275 -0.187 20 0 BBADLO C[C@H](O)C[NH+]1CCN(C(=O)c2cnco2)CC1 ZINC000677543954 488069174 /nfs/dbraw/zinc/06/91/74/488069174.db2.gz ZXSMPTKAUHUOHO-VIFPVBQESA-N 1 2 239.275 -0.187 20 0 BBADLO O=C([C@@H]1CCCC(=O)N1)N1CC(n2cc[nH+]c2)C1 ZINC000677552614 488069776 /nfs/dbraw/zinc/06/97/76/488069776.db2.gz JQJGIZYTMLFOKS-JTQLQIEISA-N 1 2 248.286 -0.065 20 0 BBADLO CCN(C)S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000677600487 488082872 /nfs/dbraw/zinc/08/28/72/488082872.db2.gz FFAUVMJMXHHWNN-UHFFFAOYSA-N 1 2 218.282 -0.304 20 0 BBADLO O=C(COCc1[nH]cc[nH+]1)N1CCOCC1 ZINC000677645585 488086634 /nfs/dbraw/zinc/08/66/34/488086634.db2.gz INALEJCOZUAEAK-UHFFFAOYSA-N 1 2 225.248 -0.215 20 0 BBADLO Cc1cnc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)nc1 ZINC000677691959 488094428 /nfs/dbraw/zinc/09/44/28/488094428.db2.gz WUEOYVCLXKFSKM-AOOOYVTPSA-N 1 2 223.276 -0.287 20 0 BBADLO Cc1cnc(C[N@H+]2C[C@H](O)C[C@H](O)C2)nc1 ZINC000677691959 488094424 /nfs/dbraw/zinc/09/44/24/488094424.db2.gz WUEOYVCLXKFSKM-AOOOYVTPSA-N 1 2 223.276 -0.287 20 0 BBADLO C[C@@H]1CC(=O)NCC[N@H+]1CCCS(C)(=O)=O ZINC000677714427 488098091 /nfs/dbraw/zinc/09/80/91/488098091.db2.gz BANGTBHGGZRNLF-SECBINFHSA-N 1 2 248.348 -0.369 20 0 BBADLO C[C@@H]1CC(=O)NCC[N@@H+]1CCCS(C)(=O)=O ZINC000677714427 488098087 /nfs/dbraw/zinc/09/80/87/488098087.db2.gz BANGTBHGGZRNLF-SECBINFHSA-N 1 2 248.348 -0.369 20 0 BBADLO C[C@H]1CC(=O)NCC[N@H+]1CCCS(C)(=O)=O ZINC000677714428 488097504 /nfs/dbraw/zinc/09/75/04/488097504.db2.gz BANGTBHGGZRNLF-VIFPVBQESA-N 1 2 248.348 -0.369 20 0 BBADLO C[C@H]1CC(=O)NCC[N@@H+]1CCCS(C)(=O)=O ZINC000677714428 488097501 /nfs/dbraw/zinc/09/75/01/488097501.db2.gz BANGTBHGGZRNLF-VIFPVBQESA-N 1 2 248.348 -0.369 20 0 BBADLO COCC1([N@@H+](C)Cc2nnnn2C)CC1 ZINC000677725160 488102851 /nfs/dbraw/zinc/10/28/51/488102851.db2.gz CLCKXRLMXKYMRI-UHFFFAOYSA-N 1 2 211.269 -0.179 20 0 BBADLO COCC1([N@H+](C)Cc2nnnn2C)CC1 ZINC000677725160 488102846 /nfs/dbraw/zinc/10/28/46/488102846.db2.gz CLCKXRLMXKYMRI-UHFFFAOYSA-N 1 2 211.269 -0.179 20 0 BBADLO COCC1([N@@H+](C)Cc2nc(N)nc(N)n2)CC1 ZINC000677727601 488104941 /nfs/dbraw/zinc/10/49/41/488104941.db2.gz CPUXVAVYAQTVBN-UHFFFAOYSA-N 1 2 238.295 -0.353 20 0 BBADLO COCC1([N@H+](C)Cc2nc(N)nc(N)n2)CC1 ZINC000677727601 488104936 /nfs/dbraw/zinc/10/49/36/488104936.db2.gz CPUXVAVYAQTVBN-UHFFFAOYSA-N 1 2 238.295 -0.353 20 0 BBADLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1cn(C)nn1 ZINC000677765288 488120026 /nfs/dbraw/zinc/12/00/26/488120026.db2.gz IJJMBHBRRDKKLG-MRVPVSSYSA-N 1 2 223.280 -0.475 20 0 BBADLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1cn(C)nn1 ZINC000677765288 488120021 /nfs/dbraw/zinc/12/00/21/488120021.db2.gz IJJMBHBRRDKKLG-MRVPVSSYSA-N 1 2 223.280 -0.475 20 0 BBADLO C[C@H]1CC(=O)NCC[N@H+]1Cc1cn(C)nn1 ZINC000677765290 488119914 /nfs/dbraw/zinc/11/99/14/488119914.db2.gz IJJMBHBRRDKKLG-QMMMGPOBSA-N 1 2 223.280 -0.475 20 0 BBADLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1cn(C)nn1 ZINC000677765290 488119911 /nfs/dbraw/zinc/11/99/11/488119911.db2.gz IJJMBHBRRDKKLG-QMMMGPOBSA-N 1 2 223.280 -0.475 20 0 BBADLO CCS(=O)(=O)NCCN(C)Cc1[nH]cc[nH+]1 ZINC000677801684 488124344 /nfs/dbraw/zinc/12/43/44/488124344.db2.gz HCXIWFGEMDBWMC-UHFFFAOYSA-N 1 2 246.336 -0.219 20 0 BBADLO CCc1noc(C[N@H+]2CC[C@@H](NC(N)=O)C2)n1 ZINC000677821219 488137460 /nfs/dbraw/zinc/13/74/60/488137460.db2.gz ONROGDDRFRDQJG-SSDOTTSWSA-N 1 2 239.279 -0.125 20 0 BBADLO CCc1noc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)n1 ZINC000677821219 488137456 /nfs/dbraw/zinc/13/74/56/488137456.db2.gz ONROGDDRFRDQJG-SSDOTTSWSA-N 1 2 239.279 -0.125 20 0 BBADLO CCc1noc(C[N@H+]2CC[C@H](NC(N)=O)C2)n1 ZINC000677821220 488137727 /nfs/dbraw/zinc/13/77/27/488137727.db2.gz ONROGDDRFRDQJG-ZETCQYMHSA-N 1 2 239.279 -0.125 20 0 BBADLO CCc1noc(C[N@@H+]2CC[C@H](NC(N)=O)C2)n1 ZINC000677821220 488137722 /nfs/dbraw/zinc/13/77/22/488137722.db2.gz ONROGDDRFRDQJG-ZETCQYMHSA-N 1 2 239.279 -0.125 20 0 BBADLO C[N@@H+](CC(=O)N1CCCC1)[C@H]1CCCNC1=O ZINC000677878066 488144694 /nfs/dbraw/zinc/14/46/94/488144694.db2.gz JZOUWVSJRDXGCN-JTQLQIEISA-N 1 2 239.319 -0.181 20 0 BBADLO C[N@H+](CC(=O)N1CCCC1)[C@H]1CCCNC1=O ZINC000677878066 488144688 /nfs/dbraw/zinc/14/46/88/488144688.db2.gz JZOUWVSJRDXGCN-JTQLQIEISA-N 1 2 239.319 -0.181 20 0 BBADLO C[N@@H+](CC(=O)N1CCCC1)[C@@H]1CCCNC1=O ZINC000677878067 488144958 /nfs/dbraw/zinc/14/49/58/488144958.db2.gz JZOUWVSJRDXGCN-SNVBAGLBSA-N 1 2 239.319 -0.181 20 0 BBADLO C[N@H+](CC(=O)N1CCCC1)[C@@H]1CCCNC1=O ZINC000677878067 488144953 /nfs/dbraw/zinc/14/49/53/488144953.db2.gz JZOUWVSJRDXGCN-SNVBAGLBSA-N 1 2 239.319 -0.181 20 0 BBADLO Nc1nc(N2C[C@@H](O)[C@@H](O)C2)[nH+]c2ccccc12 ZINC000677881336 488146175 /nfs/dbraw/zinc/14/61/75/488146175.db2.gz VKLJUZUCYWYSEV-AOOOYVTPSA-N 1 2 246.270 -0.246 20 0 BBADLO CC[N@@H+](CC(=O)N(C)C)[C@H](C)C(=O)N(C)C ZINC000677884221 488147072 /nfs/dbraw/zinc/14/70/72/488147072.db2.gz MTHVUCCPOQRLGN-SECBINFHSA-N 1 2 229.324 -0.127 20 0 BBADLO CC[N@H+](CC(=O)N(C)C)[C@H](C)C(=O)N(C)C ZINC000677884221 488147067 /nfs/dbraw/zinc/14/70/67/488147067.db2.gz MTHVUCCPOQRLGN-SECBINFHSA-N 1 2 229.324 -0.127 20 0 BBADLO CC[N@@H+](CC(=O)N(C)C)[C@@H](C)C(=O)N(C)C ZINC000677884222 488146634 /nfs/dbraw/zinc/14/66/34/488146634.db2.gz MTHVUCCPOQRLGN-VIFPVBQESA-N 1 2 229.324 -0.127 20 0 BBADLO CC[N@H+](CC(=O)N(C)C)[C@@H](C)C(=O)N(C)C ZINC000677884222 488146629 /nfs/dbraw/zinc/14/66/29/488146629.db2.gz MTHVUCCPOQRLGN-VIFPVBQESA-N 1 2 229.324 -0.127 20 0 BBADLO CC[N@@H+](CC(=O)N(C)C)[C@@H]1CCCNC1=O ZINC000677885027 487551057 /nfs/dbraw/zinc/55/10/57/487551057.db2.gz WJTLUEPMLNRAOE-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CC[N@H+](CC(=O)N(C)C)[C@@H]1CCCNC1=O ZINC000677885027 487551055 /nfs/dbraw/zinc/55/10/55/487551055.db2.gz WJTLUEPMLNRAOE-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CC[N@@H+](CC(=O)N(C)C)[C@H]1CCCNC1=O ZINC000677885029 487551040 /nfs/dbraw/zinc/55/10/40/487551040.db2.gz WJTLUEPMLNRAOE-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO CC[N@H+](CC(=O)N(C)C)[C@H]1CCCNC1=O ZINC000677885029 487551038 /nfs/dbraw/zinc/55/10/38/487551038.db2.gz WJTLUEPMLNRAOE-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO CC[N@@H+](CC(=O)N(C)C)[C@@H]1CCN(C)C1=O ZINC000677885127 488147312 /nfs/dbraw/zinc/14/73/12/488147312.db2.gz XTRGVGMYFYJAEG-SECBINFHSA-N 1 2 227.308 -0.373 20 0 BBADLO CC[N@H+](CC(=O)N(C)C)[C@@H]1CCN(C)C1=O ZINC000677885127 488147308 /nfs/dbraw/zinc/14/73/08/488147308.db2.gz XTRGVGMYFYJAEG-SECBINFHSA-N 1 2 227.308 -0.373 20 0 BBADLO CC[N@@H+](CC(=O)N(C)C)[C@H]1CCN(C)C1=O ZINC000677885128 488146844 /nfs/dbraw/zinc/14/68/44/488146844.db2.gz XTRGVGMYFYJAEG-VIFPVBQESA-N 1 2 227.308 -0.373 20 0 BBADLO CC[N@H+](CC(=O)N(C)C)[C@H]1CCN(C)C1=O ZINC000677885128 488146840 /nfs/dbraw/zinc/14/68/40/488146840.db2.gz XTRGVGMYFYJAEG-VIFPVBQESA-N 1 2 227.308 -0.373 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)N(CCCO)C2CC2)C1 ZINC000677937983 487597233 /nfs/dbraw/zinc/59/72/33/487597233.db2.gz MHFSTTBTXYRVAB-LLVKDONJSA-N 1 2 242.319 -0.310 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)N(CCCO)C2CC2)C1 ZINC000677937983 487597231 /nfs/dbraw/zinc/59/72/31/487597231.db2.gz MHFSTTBTXYRVAB-LLVKDONJSA-N 1 2 242.319 -0.310 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)N(CCCO)C2CC2)C1 ZINC000677937984 487597351 /nfs/dbraw/zinc/59/73/51/487597351.db2.gz MHFSTTBTXYRVAB-NSHDSACASA-N 1 2 242.319 -0.310 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)N(CCCO)C2CC2)C1 ZINC000677937984 487597347 /nfs/dbraw/zinc/59/73/47/487597347.db2.gz MHFSTTBTXYRVAB-NSHDSACASA-N 1 2 242.319 -0.310 20 0 BBADLO Cc1[nH]nc(C(=O)N2CC([NH+](C)C)C2)c1O ZINC000677942496 488162360 /nfs/dbraw/zinc/16/23/60/488162360.db2.gz HWVHVPUKHOCSGV-UHFFFAOYSA-N 1 2 224.264 -0.190 20 0 BBADLO C[N@@H+](CCN1C(=O)CCC1=O)Cc1ncc[nH]1 ZINC000678053857 488188380 /nfs/dbraw/zinc/18/83/80/488188380.db2.gz SOEGEZRYUQZRQA-UHFFFAOYSA-N 1 2 236.275 -0.010 20 0 BBADLO C[N@H+](CCN1C(=O)CCC1=O)Cc1ncc[nH]1 ZINC000678053857 488188379 /nfs/dbraw/zinc/18/83/79/488188379.db2.gz SOEGEZRYUQZRQA-UHFFFAOYSA-N 1 2 236.275 -0.010 20 0 BBADLO CN(CCN1C(=O)CCC1=O)Cc1[nH]cc[nH+]1 ZINC000678053857 488188377 /nfs/dbraw/zinc/18/83/77/488188377.db2.gz SOEGEZRYUQZRQA-UHFFFAOYSA-N 1 2 236.275 -0.010 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)NC2(CO)CCC2)C1 ZINC000678093693 488196198 /nfs/dbraw/zinc/19/61/98/488196198.db2.gz SDLIGHKMGCYFJC-SECBINFHSA-N 1 2 228.292 -0.652 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)NC2(CO)CCC2)C1 ZINC000678093693 488196195 /nfs/dbraw/zinc/19/61/95/488196195.db2.gz SDLIGHKMGCYFJC-SECBINFHSA-N 1 2 228.292 -0.652 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)NC2(CO)CCC2)C1 ZINC000678093695 488196220 /nfs/dbraw/zinc/19/62/20/488196220.db2.gz SDLIGHKMGCYFJC-VIFPVBQESA-N 1 2 228.292 -0.652 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)NC2(CO)CCC2)C1 ZINC000678093695 488196217 /nfs/dbraw/zinc/19/62/17/488196217.db2.gz SDLIGHKMGCYFJC-VIFPVBQESA-N 1 2 228.292 -0.652 20 0 BBADLO CNC(=O)CN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000678124745 488201935 /nfs/dbraw/zinc/20/19/35/488201935.db2.gz PKRFLWQPVBPVQU-UHFFFAOYSA-N 1 2 237.307 -0.727 20 0 BBADLO CNC(=O)C[NH+]1CCN(Cc2cn[nH]c2)CC1 ZINC000678124745 488201931 /nfs/dbraw/zinc/20/19/31/488201931.db2.gz PKRFLWQPVBPVQU-UHFFFAOYSA-N 1 2 237.307 -0.727 20 0 BBADLO NC(=O)C[NH+]1CCN(Cc2cn[nH]c2)CC1 ZINC000678128828 488202149 /nfs/dbraw/zinc/20/21/49/488202149.db2.gz RDNTWGZIOMKJDG-UHFFFAOYSA-N 1 2 223.280 -0.987 20 0 BBADLO NC(=O)CN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000678128828 488202146 /nfs/dbraw/zinc/20/21/46/488202146.db2.gz RDNTWGZIOMKJDG-UHFFFAOYSA-N 1 2 223.280 -0.987 20 0 BBADLO COCC(=O)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000678134220 488203359 /nfs/dbraw/zinc/20/33/59/488203359.db2.gz KOBWONJSEGEYET-UHFFFAOYSA-N 1 2 238.291 -0.300 20 0 BBADLO COCC[N@@H+](CC(=O)N(C)C)Cc1cn[nH]c1 ZINC000678170440 488211829 /nfs/dbraw/zinc/21/18/29/488211829.db2.gz CFXXHBRIHMODKZ-UHFFFAOYSA-N 1 2 240.307 -0.054 20 0 BBADLO COCC[N@H+](CC(=O)N(C)C)Cc1cn[nH]c1 ZINC000678170440 488211824 /nfs/dbraw/zinc/21/18/24/488211824.db2.gz CFXXHBRIHMODKZ-UHFFFAOYSA-N 1 2 240.307 -0.054 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1O ZINC000678171346 488211454 /nfs/dbraw/zinc/21/14/54/488211454.db2.gz BJZDSHYTASCPQC-HTQZYQBOSA-N 1 2 225.248 -0.074 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1O ZINC000678171346 488211452 /nfs/dbraw/zinc/21/14/52/488211452.db2.gz BJZDSHYTASCPQC-HTQZYQBOSA-N 1 2 225.248 -0.074 20 0 BBADLO C[C@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1O ZINC000678171348 488211849 /nfs/dbraw/zinc/21/18/49/488211849.db2.gz BJZDSHYTASCPQC-JGVFFNPUSA-N 1 2 225.248 -0.074 20 0 BBADLO C[C@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1O ZINC000678171348 488211844 /nfs/dbraw/zinc/21/18/44/488211844.db2.gz BJZDSHYTASCPQC-JGVFFNPUSA-N 1 2 225.248 -0.074 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@@H]1O ZINC000678171349 488211031 /nfs/dbraw/zinc/21/10/31/488211031.db2.gz BJZDSHYTASCPQC-SFYZADRCSA-N 1 2 225.248 -0.074 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@@H]1O ZINC000678171349 488211028 /nfs/dbraw/zinc/21/10/28/488211028.db2.gz BJZDSHYTASCPQC-SFYZADRCSA-N 1 2 225.248 -0.074 20 0 BBADLO C[C@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@@H]1O ZINC000678171350 488211702 /nfs/dbraw/zinc/21/17/02/488211702.db2.gz BJZDSHYTASCPQC-YUMQZZPRSA-N 1 2 225.248 -0.074 20 0 BBADLO C[C@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@@H]1O ZINC000678171350 488211699 /nfs/dbraw/zinc/21/16/99/488211699.db2.gz BJZDSHYTASCPQC-YUMQZZPRSA-N 1 2 225.248 -0.074 20 0 BBADLO COCCN1CC[N@H+]([C@@H]2CCCOC2)CC1=O ZINC000678171599 488211839 /nfs/dbraw/zinc/21/18/39/488211839.db2.gz WPPJUPZGMCNOHE-LLVKDONJSA-N 1 2 242.319 -0.044 20 0 BBADLO COCCN1CC[N@@H+]([C@@H]2CCCOC2)CC1=O ZINC000678171599 488211836 /nfs/dbraw/zinc/21/18/36/488211836.db2.gz WPPJUPZGMCNOHE-LLVKDONJSA-N 1 2 242.319 -0.044 20 0 BBADLO COCCN1CC[N@H+]([C@H]2CCCOC2)CC1=O ZINC000678171600 488211758 /nfs/dbraw/zinc/21/17/58/488211758.db2.gz WPPJUPZGMCNOHE-NSHDSACASA-N 1 2 242.319 -0.044 20 0 BBADLO COCCN1CC[N@@H+]([C@H]2CCCOC2)CC1=O ZINC000678171600 488211755 /nfs/dbraw/zinc/21/17/55/488211755.db2.gz WPPJUPZGMCNOHE-NSHDSACASA-N 1 2 242.319 -0.044 20 0 BBADLO C[N@@H+](CCN1C(=O)CNC1=O)Cc1ncc[nH]1 ZINC000678218469 488219247 /nfs/dbraw/zinc/21/92/47/488219247.db2.gz SUTQZRILSNXOEI-UHFFFAOYSA-N 1 2 237.263 -0.607 20 0 BBADLO C[N@H+](CCN1C(=O)CNC1=O)Cc1ncc[nH]1 ZINC000678218469 488219243 /nfs/dbraw/zinc/21/92/43/488219243.db2.gz SUTQZRILSNXOEI-UHFFFAOYSA-N 1 2 237.263 -0.607 20 0 BBADLO CN(CCN1C(=O)CNC1=O)Cc1[nH]cc[nH+]1 ZINC000678218469 488219239 /nfs/dbraw/zinc/21/92/39/488219239.db2.gz SUTQZRILSNXOEI-UHFFFAOYSA-N 1 2 237.263 -0.607 20 0 BBADLO COCC[N@@H+](Cc1cn[nH]c1)[C@H](C)C(N)=O ZINC000678241485 488224344 /nfs/dbraw/zinc/22/43/44/488224344.db2.gz UJEQSWAFVPTRAF-MRVPVSSYSA-N 1 2 226.280 -0.268 20 0 BBADLO COCC[N@H+](Cc1cn[nH]c1)[C@H](C)C(N)=O ZINC000678241485 488224342 /nfs/dbraw/zinc/22/43/42/488224342.db2.gz UJEQSWAFVPTRAF-MRVPVSSYSA-N 1 2 226.280 -0.268 20 0 BBADLO COCC[N@@H+](Cc1cn[nH]c1)[C@@H](C)C(N)=O ZINC000678241487 488225714 /nfs/dbraw/zinc/22/57/14/488225714.db2.gz UJEQSWAFVPTRAF-QMMMGPOBSA-N 1 2 226.280 -0.268 20 0 BBADLO COCC[N@H+](Cc1cn[nH]c1)[C@@H](C)C(N)=O ZINC000678241487 488225710 /nfs/dbraw/zinc/22/57/10/488225710.db2.gz UJEQSWAFVPTRAF-QMMMGPOBSA-N 1 2 226.280 -0.268 20 0 BBADLO C[C@H](C(N)=O)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000678267779 487785694 /nfs/dbraw/zinc/78/56/94/487785694.db2.gz VZFFVUQCRNUXIX-SECBINFHSA-N 1 2 237.307 -0.599 20 0 BBADLO C[C@H](C(N)=O)[NH+]1CCN(Cc2cn[nH]c2)CC1 ZINC000678267779 487785689 /nfs/dbraw/zinc/78/56/89/487785689.db2.gz VZFFVUQCRNUXIX-SECBINFHSA-N 1 2 237.307 -0.599 20 0 BBADLO C[C@@H](C(N)=O)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000678267783 487785857 /nfs/dbraw/zinc/78/58/57/487785857.db2.gz VZFFVUQCRNUXIX-VIFPVBQESA-N 1 2 237.307 -0.599 20 0 BBADLO C[C@@H](C(N)=O)[NH+]1CCN(Cc2cn[nH]c2)CC1 ZINC000678267783 487785853 /nfs/dbraw/zinc/78/58/53/487785853.db2.gz VZFFVUQCRNUXIX-VIFPVBQESA-N 1 2 237.307 -0.599 20 0 BBADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cn[nH]c2)C1 ZINC000678272673 488233443 /nfs/dbraw/zinc/23/34/43/488233443.db2.gz GSTSMDXNOVKGRC-SECBINFHSA-N 1 2 244.320 -0.467 20 0 BBADLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cn[nH]c2)C1 ZINC000678272673 488233441 /nfs/dbraw/zinc/23/34/41/488233441.db2.gz GSTSMDXNOVKGRC-SECBINFHSA-N 1 2 244.320 -0.467 20 0 BBADLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cn[nH]c2)C1 ZINC000678272674 488233917 /nfs/dbraw/zinc/23/39/17/488233917.db2.gz GSTSMDXNOVKGRC-VIFPVBQESA-N 1 2 244.320 -0.467 20 0 BBADLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2cn[nH]c2)C1 ZINC000678272674 488233915 /nfs/dbraw/zinc/23/39/15/488233915.db2.gz GSTSMDXNOVKGRC-VIFPVBQESA-N 1 2 244.320 -0.467 20 0 BBADLO CNC(=O)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000678281758 488236399 /nfs/dbraw/zinc/23/63/99/488236399.db2.gz CJRVLEFQTIVABG-UHFFFAOYSA-N 1 2 223.280 -0.133 20 0 BBADLO Cn1ccc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)n1 ZINC000678297805 488238610 /nfs/dbraw/zinc/23/86/10/488238610.db2.gz LSNLQSCYWNPRKU-AOOOYVTPSA-N 1 2 211.265 -0.652 20 0 BBADLO Cn1ccc(C[N@H+]2C[C@H](O)C[C@H](O)C2)n1 ZINC000678297805 488238608 /nfs/dbraw/zinc/23/86/08/488238608.db2.gz LSNLQSCYWNPRKU-AOOOYVTPSA-N 1 2 211.265 -0.652 20 0 BBADLO Cc1[nH]ncc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000678298934 488238483 /nfs/dbraw/zinc/23/84/83/488238483.db2.gz WNKCOUXSGQGYTR-AOOOYVTPSA-N 1 2 211.265 -0.354 20 0 BBADLO Cc1[nH]ncc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000678298934 488238482 /nfs/dbraw/zinc/23/84/82/488238482.db2.gz WNKCOUXSGQGYTR-AOOOYVTPSA-N 1 2 211.265 -0.354 20 0 BBADLO O=C1NC[C@@H]2C[N@@H+](Cc3cn[nH]c3)CCN12 ZINC000678334481 488241730 /nfs/dbraw/zinc/24/17/30/488241730.db2.gz JRWUKRVVDYOJFY-SECBINFHSA-N 1 2 221.264 -0.381 20 0 BBADLO O=C1NC[C@@H]2C[N@H+](Cc3cn[nH]c3)CCN12 ZINC000678334481 488241727 /nfs/dbraw/zinc/24/17/27/488241727.db2.gz JRWUKRVVDYOJFY-SECBINFHSA-N 1 2 221.264 -0.381 20 0 BBADLO O=C1NC[C@H]2C[N@@H+](Cc3cn[nH]c3)CCN12 ZINC000678334482 488241951 /nfs/dbraw/zinc/24/19/51/488241951.db2.gz JRWUKRVVDYOJFY-VIFPVBQESA-N 1 2 221.264 -0.381 20 0 BBADLO O=C1NC[C@H]2C[N@H+](Cc3cn[nH]c3)CCN12 ZINC000678334482 488241948 /nfs/dbraw/zinc/24/19/48/488241948.db2.gz JRWUKRVVDYOJFY-VIFPVBQESA-N 1 2 221.264 -0.381 20 0 BBADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cn[nH]c2)C1 ZINC000678341571 488242556 /nfs/dbraw/zinc/24/25/56/488242556.db2.gz ZLNKFFHUTIRBJK-SECBINFHSA-N 1 2 244.320 -0.467 20 0 BBADLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cn[nH]c2)C1 ZINC000678341571 488242553 /nfs/dbraw/zinc/24/25/53/488242553.db2.gz ZLNKFFHUTIRBJK-SECBINFHSA-N 1 2 244.320 -0.467 20 0 BBADLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cn[nH]c2)C1 ZINC000678341572 488242740 /nfs/dbraw/zinc/24/27/40/488242740.db2.gz ZLNKFFHUTIRBJK-VIFPVBQESA-N 1 2 244.320 -0.467 20 0 BBADLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cn[nH]c2)C1 ZINC000678341572 488242737 /nfs/dbraw/zinc/24/27/37/488242737.db2.gz ZLNKFFHUTIRBJK-VIFPVBQESA-N 1 2 244.320 -0.467 20 0 BBADLO CN(C[C@H](O)CO)C(=O)CCCn1cc[nH+]c1 ZINC000678346784 488244063 /nfs/dbraw/zinc/24/40/63/488244063.db2.gz QXOGCKWRYRCSLL-JTQLQIEISA-N 1 2 241.291 -0.525 20 0 BBADLO c1nc2cncc(NCC[NH+]3CCOCC3)n2n1 ZINC000678348385 488244521 /nfs/dbraw/zinc/24/45/21/488244521.db2.gz YTYRIXPBWKGLQS-UHFFFAOYSA-N 1 2 248.290 -0.132 20 0 BBADLO O=C1C[N@@H+](CCCNc2cccnn2)CCN1 ZINC000678480365 488260204 /nfs/dbraw/zinc/26/02/04/488260204.db2.gz MXQBRVHMSAJFOB-UHFFFAOYSA-N 1 2 235.291 -0.290 20 0 BBADLO O=C1C[N@H+](CCCNc2cccnn2)CCN1 ZINC000678480365 488260199 /nfs/dbraw/zinc/26/01/99/488260199.db2.gz MXQBRVHMSAJFOB-UHFFFAOYSA-N 1 2 235.291 -0.290 20 0 BBADLO Cc1[nH]c(C(=O)NCCc2nnnn2C)c[nH+]1 ZINC000678490022 488261665 /nfs/dbraw/zinc/26/16/65/488261665.db2.gz LHIRCQZHJQPBBQ-UHFFFAOYSA-N 1 2 235.251 -0.786 20 0 BBADLO Cc1nnc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)s1 ZINC000678624793 487632076 /nfs/dbraw/zinc/63/20/76/487632076.db2.gz QJPQDIZKXMWQND-OCAPTIKFSA-N 1 2 229.305 -0.226 20 0 BBADLO Cc1nnc(C[N@H+]2C[C@H](O)C[C@H](O)C2)s1 ZINC000678624793 487632073 /nfs/dbraw/zinc/63/20/73/487632073.db2.gz QJPQDIZKXMWQND-OCAPTIKFSA-N 1 2 229.305 -0.226 20 0 BBADLO Cn1cc[nH+]c1CNC(=O)N=c1nc[nH]n1C ZINC000678661199 488275846 /nfs/dbraw/zinc/27/58/46/488275846.db2.gz FINWSXYVHNKNRG-UHFFFAOYSA-N 1 2 235.251 -0.708 20 0 BBADLO Cn1[nH]cnc1=NC(=O)NCc1[nH]cc[nH+]1 ZINC000678661357 488275756 /nfs/dbraw/zinc/27/57/56/488275756.db2.gz JFCIPFYEHUIIMJ-UHFFFAOYSA-N 1 2 221.224 -0.718 20 0 BBADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)C(C)(C)CO ZINC000678716331 488277528 /nfs/dbraw/zinc/27/75/28/488277528.db2.gz QKUAOJIDAJDJST-UHFFFAOYSA-N 1 2 200.242 -0.287 20 0 BBADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)C(C)(C)CO ZINC000678716331 488277526 /nfs/dbraw/zinc/27/75/26/488277526.db2.gz QKUAOJIDAJDJST-UHFFFAOYSA-N 1 2 200.242 -0.287 20 0 BBADLO O=c1[nH]nc(C[N@H+](CCCO)C2CC2)[nH]1 ZINC000678716740 488277772 /nfs/dbraw/zinc/27/77/72/488277772.db2.gz ZTLJRWWJKSWGAV-UHFFFAOYSA-N 1 2 212.253 -0.143 20 0 BBADLO O=c1[nH]nc(C[N@@H+](CCCO)C2CC2)[nH]1 ZINC000678716740 488277770 /nfs/dbraw/zinc/27/77/70/488277770.db2.gz ZTLJRWWJKSWGAV-UHFFFAOYSA-N 1 2 212.253 -0.143 20 0 BBADLO CN(Cc1[nH+]ccn1C)C(=O)N=c1nc[nH]n1C ZINC000678765697 488281296 /nfs/dbraw/zinc/28/12/96/488281296.db2.gz YRBVHBBNTHTAME-UHFFFAOYSA-N 1 2 249.278 -0.366 20 0 BBADLO NC(=O)CN1CCN(c2cc[nH+]cc2F)CC1 ZINC000678787205 488282655 /nfs/dbraw/zinc/28/26/55/488282655.db2.gz CFWLTPOJLPPNJE-UHFFFAOYSA-N 1 2 238.266 -0.172 20 0 BBADLO NC(=O)[C@H]1CN(c2cc[nH+]cc2F)CCO1 ZINC000678787593 488282215 /nfs/dbraw/zinc/28/22/15/488282215.db2.gz UGUKDBYHAQAASZ-SECBINFHSA-N 1 2 225.223 -0.089 20 0 BBADLO NC(=O)[C@@H]1CN(c2cc[nH+]cc2F)CCO1 ZINC000678787595 488282040 /nfs/dbraw/zinc/28/20/40/488282040.db2.gz UGUKDBYHAQAASZ-VIFPVBQESA-N 1 2 225.223 -0.089 20 0 BBADLO CCN1CCOC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000678804829 488285599 /nfs/dbraw/zinc/28/55/99/488285599.db2.gz YCDZSJBCJNDKCP-JTQLQIEISA-N 1 2 238.291 -0.253 20 0 BBADLO CCN1CCOC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000678804830 488284428 /nfs/dbraw/zinc/28/44/28/488284428.db2.gz YCDZSJBCJNDKCP-SNVBAGLBSA-N 1 2 238.291 -0.253 20 0 BBADLO CCc1nn(C)cc1C[N@@H+](C)CC(N)=O ZINC000678811898 488285988 /nfs/dbraw/zinc/28/59/88/488285988.db2.gz HSDPOLUSFJUEPQ-UHFFFAOYSA-N 1 2 210.281 -0.100 20 0 BBADLO CCc1nn(C)cc1C[N@H+](C)CC(N)=O ZINC000678811898 488285987 /nfs/dbraw/zinc/28/59/87/488285987.db2.gz HSDPOLUSFJUEPQ-UHFFFAOYSA-N 1 2 210.281 -0.100 20 0 BBADLO COCc1cnc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)s1 ZINC000678832121 488289778 /nfs/dbraw/zinc/28/97/78/488289778.db2.gz XWZYIWUQBWDBRC-DTORHVGOSA-N 1 2 244.316 -0.173 20 0 BBADLO COCc1cnc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)s1 ZINC000678832121 488289776 /nfs/dbraw/zinc/28/97/76/488289776.db2.gz XWZYIWUQBWDBRC-DTORHVGOSA-N 1 2 244.316 -0.173 20 0 BBADLO Cc1nc(CN2CC[NH+](CCCO)CC2)n[nH]1 ZINC000678890472 488294067 /nfs/dbraw/zinc/29/40/67/488294067.db2.gz HWKRJTZPRKCSJM-UHFFFAOYSA-N 1 2 239.323 -0.387 20 0 BBADLO CCNC(=O)CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000679002322 488302154 /nfs/dbraw/zinc/30/21/54/488302154.db2.gz PFKRAKXPJBWZTR-UHFFFAOYSA-N 1 2 238.295 -0.206 20 0 BBADLO CCNC(=O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000679002322 488302151 /nfs/dbraw/zinc/30/21/51/488302151.db2.gz PFKRAKXPJBWZTR-UHFFFAOYSA-N 1 2 238.295 -0.206 20 0 BBADLO CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C)C1=O ZINC000679311346 488333874 /nfs/dbraw/zinc/33/38/74/488333874.db2.gz KYEBKGGNEJIPQY-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C)C1=O ZINC000679311346 488333871 /nfs/dbraw/zinc/33/38/71/488333871.db2.gz KYEBKGGNEJIPQY-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C)C1=O ZINC000679311349 488333963 /nfs/dbraw/zinc/33/39/63/488333963.db2.gz KYEBKGGNEJIPQY-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO CCNC(=O)C[N@H+](C)[C@H]1CCCN(C)C1=O ZINC000679311349 488333960 /nfs/dbraw/zinc/33/39/60/488333960.db2.gz KYEBKGGNEJIPQY-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO 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488352042 /nfs/dbraw/zinc/35/20/42/488352042.db2.gz YHJBHFUFDRWPNL-VIFPVBQESA-N 1 2 211.265 -0.172 20 0 BBADLO CN(C1CC1)S(=O)(=O)NCc1[nH+]ccn1C ZINC000679439397 488351783 /nfs/dbraw/zinc/35/17/83/488351783.db2.gz DXSJZPLQWKDOAQ-UHFFFAOYSA-N 1 2 244.320 -0.151 20 0 BBADLO CCc1cc(NCCN2CCNC(=O)C2)nc[nH+]1 ZINC000679710948 488365236 /nfs/dbraw/zinc/36/52/36/488365236.db2.gz SPLNOVXMNQVOMS-UHFFFAOYSA-N 1 2 249.318 -0.117 20 0 BBADLO CNC(=O)[C@H]1C[N@@H+](Cc2cn[nH]c2)CCO1 ZINC000679774929 488366108 /nfs/dbraw/zinc/36/61/08/488366108.db2.gz SIIXHHLBQBANHH-SECBINFHSA-N 1 2 224.264 -0.644 20 0 BBADLO CNC(=O)[C@H]1C[N@H+](Cc2cn[nH]c2)CCO1 ZINC000679774929 488366106 /nfs/dbraw/zinc/36/61/06/488366106.db2.gz SIIXHHLBQBANHH-SECBINFHSA-N 1 2 224.264 -0.644 20 0 BBADLO CNC(=O)[C@@H]1C[N@@H+](Cc2cn[nH]c2)CCO1 ZINC000679774932 488366097 /nfs/dbraw/zinc/36/60/97/488366097.db2.gz SIIXHHLBQBANHH-VIFPVBQESA-N 1 2 224.264 -0.644 20 0 BBADLO CNC(=O)[C@@H]1C[N@H+](Cc2cn[nH]c2)CCO1 ZINC000679774932 488366095 /nfs/dbraw/zinc/36/60/95/488366095.db2.gz SIIXHHLBQBANHH-VIFPVBQESA-N 1 2 224.264 -0.644 20 0 BBADLO NC(=O)c1cccc(C(=O)NCc2c[nH]c[nH+]2)n1 ZINC000679800723 488366129 /nfs/dbraw/zinc/36/61/29/488366129.db2.gz VXODRMZETCKHRN-UHFFFAOYSA-N 1 2 245.242 -0.166 20 0 BBADLO NC(=O)c1cccc(C(=O)NCc2c[nH+]c[nH]2)n1 ZINC000679800723 488366127 /nfs/dbraw/zinc/36/61/27/488366127.db2.gz VXODRMZETCKHRN-UHFFFAOYSA-N 1 2 245.242 -0.166 20 0 BBADLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)NC1CC1)CC2 ZINC000679844414 488368474 /nfs/dbraw/zinc/36/84/74/488368474.db2.gz PUHCKFSQNHOMTB-UHFFFAOYSA-N 1 2 248.286 -0.188 20 0 BBADLO Cc1cn2c([nH+]1)CN(c1nnnn1C)CC2 ZINC000679845981 488368452 /nfs/dbraw/zinc/36/84/52/488368452.db2.gz OJXFOYGULHWZGH-UHFFFAOYSA-N 1 2 219.252 -0.265 20 0 BBADLO Cc1nc(NCCn2ccnn2)nc(N(C)C)[nH+]1 ZINC000679849109 488368711 /nfs/dbraw/zinc/36/87/11/488368711.db2.gz VSCVOYHWEFSDJI-UHFFFAOYSA-N 1 2 248.294 -0.050 20 0 BBADLO Cc1nc(N(C)C)nc(NCCn2ccnn2)[nH+]1 ZINC000679849109 488368710 /nfs/dbraw/zinc/36/87/10/488368710.db2.gz VSCVOYHWEFSDJI-UHFFFAOYSA-N 1 2 248.294 -0.050 20 0 BBADLO Cc1cn2c([nH+]1)CN(S(=O)(=O)N(C)C)CC2 ZINC000679851948 488369025 /nfs/dbraw/zinc/36/90/25/488369025.db2.gz DPOLASIVSUTKHO-UHFFFAOYSA-N 1 2 244.320 -0.186 20 0 BBADLO Cc1cn2c([nH+]1)CN(S(C)(=O)=O)CC2 ZINC000679852597 487472837 /nfs/dbraw/zinc/47/28/37/487472837.db2.gz MVRPRMQSLWOKQT-UHFFFAOYSA-N 1 2 215.278 -0.033 20 0 BBADLO Cc1cn2c([nH+]1)CN([C@@H]1CCNC1=O)CC2 ZINC000679868586 487919857 /nfs/dbraw/zinc/91/98/57/487919857.db2.gz ABSUTTHQHABUKB-SECBINFHSA-N 1 2 220.276 -0.104 20 0 BBADLO Cc1cn2c([nH+]1)CN([C@H]1CCNC1=O)CC2 ZINC000679868593 487919677 /nfs/dbraw/zinc/91/96/77/487919677.db2.gz ABSUTTHQHABUKB-VIFPVBQESA-N 1 2 220.276 -0.104 20 0 BBADLO CNC(=O)CN1CCn2cc(C)[nH+]c2C1 ZINC000679869485 487477755 /nfs/dbraw/zinc/47/77/55/487477755.db2.gz YZHZESDBYBLDQK-UHFFFAOYSA-N 1 2 208.265 -0.247 20 0 BBADLO Cc1cn2c([nH+]1)CN([C@H](C)C(N)=O)CC2 ZINC000679869799 487477285 /nfs/dbraw/zinc/47/72/85/487477285.db2.gz COSJSBPZIFTQPD-MRVPVSSYSA-N 1 2 208.265 -0.119 20 0 BBADLO Cc1cn2c([nH+]1)CN([C@@H](C)C(N)=O)CC2 ZINC000679869800 487477130 /nfs/dbraw/zinc/47/71/30/487477130.db2.gz COSJSBPZIFTQPD-QMMMGPOBSA-N 1 2 208.265 -0.119 20 0 BBADLO Cc1cn2c([nH+]1)CN(Cc1nnnn1C)CC2 ZINC000679871418 487478686 /nfs/dbraw/zinc/47/86/86/487478686.db2.gz MBPJHEBZMHCOTI-UHFFFAOYSA-N 1 2 233.279 -0.269 20 0 BBADLO Cc1[nH]c(C(=O)NCCn2ccnn2)c[nH+]1 ZINC000679895322 487482944 /nfs/dbraw/zinc/48/29/44/487482944.db2.gz FBGCBJKWYOZZQO-UHFFFAOYSA-N 1 2 220.236 -0.260 20 0 BBADLO Cc1cn2c([nH+]1)CN(C(=O)c1nc[nH]n1)CC2 ZINC000679908700 487484087 /nfs/dbraw/zinc/48/40/87/487484087.db2.gz UBJSZMWZLHYMDB-UHFFFAOYSA-N 1 2 232.247 -0.034 20 0 BBADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H](C)O)CC2 ZINC000679909012 487484495 /nfs/dbraw/zinc/48/44/95/487484495.db2.gz PYSZPVCKDQHIAK-MRVPVSSYSA-N 1 2 209.249 -0.085 20 0 BBADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H](C)O)CC2 ZINC000679909013 487484130 /nfs/dbraw/zinc/48/41/30/487484130.db2.gz PYSZPVCKDQHIAK-QMMMGPOBSA-N 1 2 209.249 -0.085 20 0 BBADLO Cc1nc(NCc2cn(C)nn2)nc(N(C)C)[nH+]1 ZINC000679930679 487493589 /nfs/dbraw/zinc/49/35/89/487493589.db2.gz CNPVIIZWZOJQOW-UHFFFAOYSA-N 1 2 248.294 -0.013 20 0 BBADLO Cc1nc(N(C)C)nc(NCc2cn(C)nn2)[nH+]1 ZINC000679930679 487493584 /nfs/dbraw/zinc/49/35/84/487493584.db2.gz CNPVIIZWZOJQOW-UHFFFAOYSA-N 1 2 248.294 -0.013 20 0 BBADLO Cc1[nH]c(C(=O)NCc2cn(C)nn2)c[nH+]1 ZINC000679985787 487509114 /nfs/dbraw/zinc/50/91/14/487509114.db2.gz STIIQLXNWWNMKF-UHFFFAOYSA-N 1 2 220.236 -0.223 20 0 BBADLO O=C(Cn1cc[nH+]c1)NCC(=O)C1CC1 ZINC000680001614 487513711 /nfs/dbraw/zinc/51/37/11/487513711.db2.gz ODHSCROJVZUDKD-UHFFFAOYSA-N 1 2 207.233 -0.022 20 0 BBADLO Cc1cc(N2CCOC[C@@H]2C(N)=O)nc[nH+]1 ZINC000680060019 487529891 /nfs/dbraw/zinc/52/98/91/487529891.db2.gz ALSBGSMTEAYCJE-MRVPVSSYSA-N 1 2 222.248 -0.524 20 0 BBADLO Cc1cc(N2CCOC[C@H]2C(N)=O)nc[nH+]1 ZINC000680060020 487529976 /nfs/dbraw/zinc/52/99/76/487529976.db2.gz ALSBGSMTEAYCJE-QMMMGPOBSA-N 1 2 222.248 -0.524 20 0 BBADLO Cc1nc(N2CCOC[C@@H]2C(N)=O)cc[nH+]1 ZINC000680060882 487530032 /nfs/dbraw/zinc/53/00/32/487530032.db2.gz MXGHAOAMZCTZHB-MRVPVSSYSA-N 1 2 222.248 -0.524 20 0 BBADLO Cc1nc(N2CCOC[C@H]2C(N)=O)cc[nH+]1 ZINC000680060884 487529946 /nfs/dbraw/zinc/52/99/46/487529946.db2.gz MXGHAOAMZCTZHB-QMMMGPOBSA-N 1 2 222.248 -0.524 20 0 BBADLO COC[C@H]1CCC[N@H+]1Cc1nn(C)c(=O)[nH]1 ZINC000680375531 487577033 /nfs/dbraw/zinc/57/70/33/487577033.db2.gz PBDRUNWZXJGNRG-MRVPVSSYSA-N 1 2 226.280 -0.281 20 0 BBADLO COC[C@H]1CCC[N@@H+]1Cc1nn(C)c(=O)[nH]1 ZINC000680375531 487577026 /nfs/dbraw/zinc/57/70/26/487577026.db2.gz PBDRUNWZXJGNRG-MRVPVSSYSA-N 1 2 226.280 -0.281 20 0 BBADLO C[C@@H]1COCCC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000680376044 487578535 /nfs/dbraw/zinc/57/85/35/487578535.db2.gz HAWBXUGJQREPTN-MRVPVSSYSA-N 1 2 226.280 -0.281 20 0 BBADLO C[C@@H]1COCCC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000680376044 487578529 /nfs/dbraw/zinc/57/85/29/487578529.db2.gz HAWBXUGJQREPTN-MRVPVSSYSA-N 1 2 226.280 -0.281 20 0 BBADLO C[C@H]1COCCC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000680376045 487578969 /nfs/dbraw/zinc/57/89/69/487578969.db2.gz HAWBXUGJQREPTN-QMMMGPOBSA-N 1 2 226.280 -0.281 20 0 BBADLO C[C@H]1COCCC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000680376045 487578965 /nfs/dbraw/zinc/57/89/65/487578965.db2.gz HAWBXUGJQREPTN-QMMMGPOBSA-N 1 2 226.280 -0.281 20 0 BBADLO Cn1[nH]c(C[N@@H+](CCCO)C2CC2)nc1=O ZINC000680376388 488141076 /nfs/dbraw/zinc/14/10/76/488141076.db2.gz WCMASJKDDYMZGM-UHFFFAOYSA-N 1 2 226.280 -0.545 20 0 BBADLO Cn1[nH]c(C[N@H+](CCCO)C2CC2)nc1=O ZINC000680376388 488141070 /nfs/dbraw/zinc/14/10/70/488141070.db2.gz WCMASJKDDYMZGM-UHFFFAOYSA-N 1 2 226.280 -0.545 20 0 BBADLO COCC1([N@@H+](C)Cc2nc(=O)n(C)[nH]2)CC1 ZINC000680377323 487578396 /nfs/dbraw/zinc/57/83/96/487578396.db2.gz JOCQXMKDYCGRHC-UHFFFAOYSA-N 1 2 226.280 -0.281 20 0 BBADLO COCC1([N@H+](C)Cc2nc(=O)n(C)[nH]2)CC1 ZINC000680377323 487578391 /nfs/dbraw/zinc/57/83/91/487578391.db2.gz JOCQXMKDYCGRHC-UHFFFAOYSA-N 1 2 226.280 -0.281 20 0 BBADLO Cn1ccnc(NC(=O)NCc2[nH]cc[nH+]2)c1=O ZINC000680479992 487604066 /nfs/dbraw/zinc/60/40/66/487604066.db2.gz IDXDASACAGHISI-UHFFFAOYSA-N 1 2 248.246 -0.175 20 0 BBADLO CN1CN(C(=O)CCn2cc[nH+]c2)CC1=O ZINC000680508423 487608862 /nfs/dbraw/zinc/60/88/62/487608862.db2.gz RHFBGAKWMNSMOS-UHFFFAOYSA-N 1 2 222.248 -0.469 20 0 BBADLO CN(C)c1cc[nH+]cc1C(=O)NCc1nn[nH]n1 ZINC000680580520 487616773 /nfs/dbraw/zinc/61/67/73/487616773.db2.gz FKEOLACLWRTSOZ-UHFFFAOYSA-N 1 2 247.262 -0.409 20 0 BBADLO O=C1NC(=O)N2CC[N@@H+](Cc3cn[nH]c3)C[C@H]12 ZINC000680649581 487627900 /nfs/dbraw/zinc/62/79/00/487627900.db2.gz CCPYVVFMOBUZMJ-MRVPVSSYSA-N 1 2 235.247 -0.854 20 0 BBADLO O=C1NC(=O)N2CC[N@H+](Cc3cn[nH]c3)C[C@H]12 ZINC000680649581 487627892 /nfs/dbraw/zinc/62/78/92/487627892.db2.gz CCPYVVFMOBUZMJ-MRVPVSSYSA-N 1 2 235.247 -0.854 20 0 BBADLO O=C1NC(=O)N2CC[N@@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC000680649586 487530996 /nfs/dbraw/zinc/53/09/96/487530996.db2.gz CCPYVVFMOBUZMJ-QMMMGPOBSA-N 1 2 235.247 -0.854 20 0 BBADLO O=C1NC(=O)N2CC[N@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC000680649586 487530994 /nfs/dbraw/zinc/53/09/94/487530994.db2.gz CCPYVVFMOBUZMJ-QMMMGPOBSA-N 1 2 235.247 -0.854 20 0 BBADLO NC(=O)c1c[nH+]ccc1NCc1n[nH]c(=O)[nH]1 ZINC000680829431 487654506 /nfs/dbraw/zinc/65/45/06/487654506.db2.gz KGONUCJMEIVIRF-UHFFFAOYSA-N 1 2 234.219 -0.962 20 0 BBADLO Cc1nnnn1-c1cc(-n2cc[nH+]c2)ncn1 ZINC000680836512 487656380 /nfs/dbraw/zinc/65/63/80/487656380.db2.gz VFUUXOZJWCDLQP-UHFFFAOYSA-N 1 2 228.219 -0.054 20 0 BBADLO COC[C@](C)(CO)NC(=O)Cn1cc[nH+]c1 ZINC000681073745 487713532 /nfs/dbraw/zinc/71/35/32/487713532.db2.gz DXQAZWSLRIBURY-JTQLQIEISA-N 1 2 227.264 -0.603 20 0 BBADLO COC[C@@](C)(CO)NC(=O)Cn1cc[nH+]c1 ZINC000681073746 487713552 /nfs/dbraw/zinc/71/35/52/487713552.db2.gz DXQAZWSLRIBURY-SNVBAGLBSA-N 1 2 227.264 -0.603 20 0 BBADLO COC[C@](C)(CO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000681076724 487715370 /nfs/dbraw/zinc/71/53/70/487715370.db2.gz XOTNYKXTIYOTKQ-JTQLQIEISA-N 1 2 227.264 -0.155 20 0 BBADLO COC[C@@](C)(CO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000681076725 487715379 /nfs/dbraw/zinc/71/53/79/487715379.db2.gz XOTNYKXTIYOTKQ-SNVBAGLBSA-N 1 2 227.264 -0.155 20 0 BBADLO COC[C@@](C)(CO)NC(=O)CCn1cc[nH+]c1 ZINC000681080279 487716153 /nfs/dbraw/zinc/71/61/53/487716153.db2.gz VWUKQEXAWZTBPF-LLVKDONJSA-N 1 2 241.291 -0.213 20 0 BBADLO COC[C@](C)(CO)NC(=O)CCn1cc[nH+]c1 ZINC000681080280 487716218 /nfs/dbraw/zinc/71/62/18/487716218.db2.gz VWUKQEXAWZTBPF-NSHDSACASA-N 1 2 241.291 -0.213 20 0 BBADLO C[C@H]1C[C@@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000681097383 487721201 /nfs/dbraw/zinc/72/12/01/487721201.db2.gz BOMUYKPWDYQKFK-DCAQKATOSA-N 1 2 223.320 -0.242 20 0 BBADLO C[C@@H](CO)C[N@H+]1CCN2C(=O)N=NC2C1 ZINC000681220450 487749092 /nfs/dbraw/zinc/74/90/92/487749092.db2.gz CWTSHVNSLNOPEE-SSDOTTSWSA-N 1 2 212.253 -0.572 20 0 BBADLO C[C@@H](CO)C[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000681220450 487749091 /nfs/dbraw/zinc/74/90/91/487749091.db2.gz CWTSHVNSLNOPEE-SSDOTTSWSA-N 1 2 212.253 -0.572 20 0 BBADLO C[C@H](CO)C[N@H+]1CCN2C(=O)N=NC2C1 ZINC000681220451 487750261 /nfs/dbraw/zinc/75/02/61/487750261.db2.gz CWTSHVNSLNOPEE-ZETCQYMHSA-N 1 2 212.253 -0.572 20 0 BBADLO C[C@H](CO)C[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000681220451 487750257 /nfs/dbraw/zinc/75/02/57/487750257.db2.gz CWTSHVNSLNOPEE-ZETCQYMHSA-N 1 2 212.253 -0.572 20 0 BBADLO CN1CC[C@H](C(=O)NCCn2cc[nH+]c2)C1=O ZINC000681239767 487757130 /nfs/dbraw/zinc/75/71/30/487757130.db2.gz RJHAJIKYWYGCDP-SECBINFHSA-N 1 2 236.275 -0.522 20 0 BBADLO CN1CC[C@@H](C(=O)NCCn2cc[nH+]c2)C1=O ZINC000681239768 487756766 /nfs/dbraw/zinc/75/67/66/487756766.db2.gz RJHAJIKYWYGCDP-VIFPVBQESA-N 1 2 236.275 -0.522 20 0 BBADLO C[C@H]1C[N@@H+](CCNC(=O)C2(O)CCC2)CCO1 ZINC000681253523 487761182 /nfs/dbraw/zinc/76/11/82/487761182.db2.gz NXMQHANFHUCHJQ-JTQLQIEISA-N 1 2 242.319 -0.262 20 0 BBADLO C[C@H]1C[N@H+](CCNC(=O)C2(O)CCC2)CCO1 ZINC000681253523 487761178 /nfs/dbraw/zinc/76/11/78/487761178.db2.gz NXMQHANFHUCHJQ-JTQLQIEISA-N 1 2 242.319 -0.262 20 0 BBADLO C[C@@H]1C[N@@H+](CCNC(=O)C2(O)CCC2)CCO1 ZINC000681253524 487760546 /nfs/dbraw/zinc/76/05/46/487760546.db2.gz NXMQHANFHUCHJQ-SNVBAGLBSA-N 1 2 242.319 -0.262 20 0 BBADLO C[C@@H]1C[N@H+](CCNC(=O)C2(O)CCC2)CCO1 ZINC000681253524 487760541 /nfs/dbraw/zinc/76/05/41/487760541.db2.gz NXMQHANFHUCHJQ-SNVBAGLBSA-N 1 2 242.319 -0.262 20 0 BBADLO CNC(=O)CC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000681256414 487762192 /nfs/dbraw/zinc/76/21/92/487762192.db2.gz KSPGQXQWABOSRN-UHFFFAOYSA-N 1 2 249.270 -0.193 20 0 BBADLO CN1CC[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1=O ZINC000681274677 487767173 /nfs/dbraw/zinc/76/71/73/487767173.db2.gz WJEABCJNKCITSG-JTQLQIEISA-N 1 2 248.286 -0.255 20 0 BBADLO CN1CC[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1=O ZINC000681274678 490164127 /nfs/dbraw/zinc/16/41/27/490164127.db2.gz WJEABCJNKCITSG-SNVBAGLBSA-N 1 2 248.286 -0.255 20 0 BBADLO Cn1c[nH+]cc1CCNC(=O)C1(O)CCC1 ZINC000681343960 487780541 /nfs/dbraw/zinc/78/05/41/487780541.db2.gz BRQWRMBJSRPCHK-UHFFFAOYSA-N 1 2 223.276 -0.006 20 0 BBADLO C[C@H](CN(C)C(=O)[C@H](C)[NH+](C)C)c1nn[nH]n1 ZINC000681352587 487781878 /nfs/dbraw/zinc/78/18/78/487781878.db2.gz AMMPBBRLPSDTTO-SFYZADRCSA-N 1 2 240.311 -0.288 20 0 BBADLO C[C@@H](CN(C)C(=O)[C@H](C)[NH+](C)C)c1nn[nH]n1 ZINC000681352594 487781753 /nfs/dbraw/zinc/78/17/53/487781753.db2.gz AMMPBBRLPSDTTO-YUMQZZPRSA-N 1 2 240.311 -0.288 20 0 BBADLO CN(C)c1c[nH+]ccc1NC(=O)c1nc[nH]n1 ZINC000681357585 487783945 /nfs/dbraw/zinc/78/39/45/487783945.db2.gz DKFKNHSNVOXVGH-UHFFFAOYSA-N 1 2 232.247 -0.060 20 0 BBADLO CC(=O)NCC(=O)Nc1cc[nH+]cc1N(C)C ZINC000681362783 487784533 /nfs/dbraw/zinc/78/45/33/487784533.db2.gz LDPLEMDZROHCQP-UHFFFAOYSA-N 1 2 236.275 -0.356 20 0 BBADLO C[C@@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000681551800 487813969 /nfs/dbraw/zinc/81/39/69/487813969.db2.gz TZPFYOXJFQTWJV-BDAKNGLRSA-N 1 2 223.276 -0.058 20 0 BBADLO C[C@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000681551802 487814259 /nfs/dbraw/zinc/81/42/59/487814259.db2.gz TZPFYOXJFQTWJV-DTWKUNHWSA-N 1 2 223.276 -0.058 20 0 BBADLO C[C@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000681551804 487814344 /nfs/dbraw/zinc/81/43/44/487814344.db2.gz TZPFYOXJFQTWJV-IUCAKERBSA-N 1 2 223.276 -0.058 20 0 BBADLO C[C@@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000681551806 487812394 /nfs/dbraw/zinc/81/23/94/487812394.db2.gz TZPFYOXJFQTWJV-RKDXNWHRSA-N 1 2 223.276 -0.058 20 0 BBADLO O=C(NCCCO)[C@@H]1CCc2[nH+]ccn2C1 ZINC000681551888 487813836 /nfs/dbraw/zinc/81/38/36/487813836.db2.gz XKBBBSUEJHBMBR-SECBINFHSA-N 1 2 223.276 -0.056 20 0 BBADLO O=C(NCCCO)[C@H]1CCc2[nH+]ccn2C1 ZINC000681551893 487814331 /nfs/dbraw/zinc/81/43/31/487814331.db2.gz XKBBBSUEJHBMBR-VIFPVBQESA-N 1 2 223.276 -0.056 20 0 BBADLO Cc1nc(C(=O)N2CC[NH+](CCO)CC2)co1 ZINC000681580210 487817770 /nfs/dbraw/zinc/81/77/70/487817770.db2.gz FKPDGVTZGWXQCN-UHFFFAOYSA-N 1 2 239.275 -0.267 20 0 BBADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H](O)C1 ZINC000681581213 487817958 /nfs/dbraw/zinc/81/79/58/487817958.db2.gz YXMNMSXJKZYRCY-JTQLQIEISA-N 1 2 223.276 -0.054 20 0 BBADLO C[C@@H](CO)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000681584520 487818355 /nfs/dbraw/zinc/81/83/55/487818355.db2.gz BZJXZVJKPLUTLB-DTWKUNHWSA-N 1 2 223.276 -0.058 20 0 BBADLO C[C@@H](CO)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000681584522 487818666 /nfs/dbraw/zinc/81/86/66/487818666.db2.gz BZJXZVJKPLUTLB-IUCAKERBSA-N 1 2 223.276 -0.058 20 0 BBADLO C[C@@H](CO)CN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000681712325 487848309 /nfs/dbraw/zinc/84/83/09/487848309.db2.gz UISNKTJKERBCDI-GHMZBOCLSA-N 1 2 216.325 -0.387 20 0 BBADLO C[C@@H](CO)CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000681712325 487848306 /nfs/dbraw/zinc/84/83/06/487848306.db2.gz UISNKTJKERBCDI-GHMZBOCLSA-N 1 2 216.325 -0.387 20 0 BBADLO C[C@@H](CO)CN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000681712326 487847950 /nfs/dbraw/zinc/84/79/50/487847950.db2.gz UISNKTJKERBCDI-MNOVXSKESA-N 1 2 216.325 -0.387 20 0 BBADLO C[C@@H](CO)CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000681712326 487847946 /nfs/dbraw/zinc/84/79/46/487847946.db2.gz UISNKTJKERBCDI-MNOVXSKESA-N 1 2 216.325 -0.387 20 0 BBADLO C[C@H](CO)CN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000681712327 487848739 /nfs/dbraw/zinc/84/87/39/487848739.db2.gz UISNKTJKERBCDI-QWRGUYRKSA-N 1 2 216.325 -0.387 20 0 BBADLO C[C@H](CO)CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000681712327 487848733 /nfs/dbraw/zinc/84/87/33/487848733.db2.gz UISNKTJKERBCDI-QWRGUYRKSA-N 1 2 216.325 -0.387 20 0 BBADLO C[C@H](CO)CN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000681712328 487847969 /nfs/dbraw/zinc/84/79/69/487847969.db2.gz UISNKTJKERBCDI-WDEREUQCSA-N 1 2 216.325 -0.387 20 0 BBADLO C[C@H](CO)CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000681712328 487847964 /nfs/dbraw/zinc/84/79/64/487847964.db2.gz UISNKTJKERBCDI-WDEREUQCSA-N 1 2 216.325 -0.387 20 0 BBADLO C[C@@H]1CN(C(=O)c2cocn2)CC[N@H+]1CCO ZINC000681748450 487530264 /nfs/dbraw/zinc/53/02/64/487530264.db2.gz FNSGPNJNUNHADN-SECBINFHSA-N 1 2 239.275 -0.187 20 0 BBADLO C[C@@H]1CN(C(=O)c2cocn2)CC[N@@H+]1CCO ZINC000681748450 487530260 /nfs/dbraw/zinc/53/02/60/487530260.db2.gz FNSGPNJNUNHADN-SECBINFHSA-N 1 2 239.275 -0.187 20 0 BBADLO C[C@H]1CN(C(=O)c2cocn2)CC[N@H+]1CCO ZINC000681748453 487530319 /nfs/dbraw/zinc/53/03/19/487530319.db2.gz FNSGPNJNUNHADN-VIFPVBQESA-N 1 2 239.275 -0.187 20 0 BBADLO C[C@H]1CN(C(=O)c2cocn2)CC[N@@H+]1CCO ZINC000681748453 487530315 /nfs/dbraw/zinc/53/03/15/487530315.db2.gz FNSGPNJNUNHADN-VIFPVBQESA-N 1 2 239.275 -0.187 20 0 BBADLO C[C@@H]1C(=O)N(C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000681759253 487543046 /nfs/dbraw/zinc/54/30/46/487543046.db2.gz TWLHIDOCZKRYGL-SECBINFHSA-N 1 2 236.275 -0.428 20 0 BBADLO C[C@H]1C(=O)N(C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000681759254 487542791 /nfs/dbraw/zinc/54/27/91/487542791.db2.gz TWLHIDOCZKRYGL-VIFPVBQESA-N 1 2 236.275 -0.428 20 0 BBADLO C[C@@H]1CN(C(=O)c2cnco2)CC[N@H+]1CCO ZINC000681761612 487859180 /nfs/dbraw/zinc/85/91/80/487859180.db2.gz KCONDOUYLMCDTF-SECBINFHSA-N 1 2 239.275 -0.187 20 0 BBADLO C[C@@H]1CN(C(=O)c2cnco2)CC[N@@H+]1CCO ZINC000681761612 487859175 /nfs/dbraw/zinc/85/91/75/487859175.db2.gz KCONDOUYLMCDTF-SECBINFHSA-N 1 2 239.275 -0.187 20 0 BBADLO C[C@H]1CN(C(=O)c2cnco2)CC[N@H+]1CCO ZINC000681761613 487858780 /nfs/dbraw/zinc/85/87/80/487858780.db2.gz KCONDOUYLMCDTF-VIFPVBQESA-N 1 2 239.275 -0.187 20 0 BBADLO C[C@H]1CN(C(=O)c2cnco2)CC[N@@H+]1CCO ZINC000681761613 487858776 /nfs/dbraw/zinc/85/87/76/487858776.db2.gz KCONDOUYLMCDTF-VIFPVBQESA-N 1 2 239.275 -0.187 20 0 BBADLO CNC(=O)CC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000682032599 487885393 /nfs/dbraw/zinc/88/53/93/487885393.db2.gz NULBPCMJLMDYHE-SSDOTTSWSA-N 1 2 222.235 -0.176 20 0 BBADLO CNC(=O)CC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000682032599 487885386 /nfs/dbraw/zinc/88/53/86/487885386.db2.gz NULBPCMJLMDYHE-SSDOTTSWSA-N 1 2 222.235 -0.176 20 0 BBADLO CNC(=O)CC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000682032600 487885571 /nfs/dbraw/zinc/88/55/71/487885571.db2.gz NULBPCMJLMDYHE-ZETCQYMHSA-N 1 2 222.235 -0.176 20 0 BBADLO CNC(=O)CC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000682032600 487885567 /nfs/dbraw/zinc/88/55/67/487885567.db2.gz NULBPCMJLMDYHE-ZETCQYMHSA-N 1 2 222.235 -0.176 20 0 BBADLO NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cn[nH]c2)C1 ZINC000682407156 487950621 /nfs/dbraw/zinc/95/06/21/487950621.db2.gz YEHGWVGZCRROTE-SECBINFHSA-N 1 2 244.320 -0.337 20 0 BBADLO NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cn[nH]c2)C1 ZINC000682407156 487950617 /nfs/dbraw/zinc/95/06/17/487950617.db2.gz YEHGWVGZCRROTE-SECBINFHSA-N 1 2 244.320 -0.337 20 0 BBADLO NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cn[nH]c2)C1 ZINC000682407157 487950331 /nfs/dbraw/zinc/95/03/31/487950331.db2.gz YEHGWVGZCRROTE-VIFPVBQESA-N 1 2 244.320 -0.337 20 0 BBADLO NS(=O)(=O)[C@H]1CCC[N@H+](Cc2cn[nH]c2)C1 ZINC000682407157 487950328 /nfs/dbraw/zinc/95/03/28/487950328.db2.gz YEHGWVGZCRROTE-VIFPVBQESA-N 1 2 244.320 -0.337 20 0 BBADLO C[C@H](CO)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682453873 488045716 /nfs/dbraw/zinc/04/57/16/488045716.db2.gz BZJXZVJKPLUTLB-BDAKNGLRSA-N 1 2 223.276 -0.058 20 0 BBADLO C[C@H](CO)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682453874 488045683 /nfs/dbraw/zinc/04/56/83/488045683.db2.gz BZJXZVJKPLUTLB-RKDXNWHRSA-N 1 2 223.276 -0.058 20 0 BBADLO CN(CCO)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682454656 487967316 /nfs/dbraw/zinc/96/73/16/487967316.db2.gz PSPHUCJDHRBXHX-SECBINFHSA-N 1 2 223.276 -0.104 20 0 BBADLO CN(CCO)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682454657 487967012 /nfs/dbraw/zinc/96/70/12/487967012.db2.gz PSPHUCJDHRBXHX-VIFPVBQESA-N 1 2 223.276 -0.104 20 0 BBADLO CN(CC(N)=O)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682458849 487968193 /nfs/dbraw/zinc/96/81/93/487968193.db2.gz FULBEOWQJUJVLV-MRVPVSSYSA-N 1 2 236.275 -0.611 20 0 BBADLO CN(CC(N)=O)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682458850 487968255 /nfs/dbraw/zinc/96/82/55/487968255.db2.gz FULBEOWQJUJVLV-QMMMGPOBSA-N 1 2 236.275 -0.611 20 0 BBADLO O=C(NC1=NCC(=O)N1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682499480 487972077 /nfs/dbraw/zinc/97/20/77/487972077.db2.gz LLSVTZNCULZNRP-SSDOTTSWSA-N 1 2 247.258 -0.953 20 0 BBADLO O=C(NC1=NCC(=O)N1)[C@H]1CCc2[nH+]ccn2C1 ZINC000682499488 487971877 /nfs/dbraw/zinc/97/18/77/487971877.db2.gz LLSVTZNCULZNRP-ZETCQYMHSA-N 1 2 247.258 -0.953 20 0 BBADLO C[C@@H](C(=O)N1CCc2[nH]nnc2C1)[NH+](C)C ZINC000682504867 487971649 /nfs/dbraw/zinc/97/16/49/487971649.db2.gz BDIPFNWTQMUSAO-ZETCQYMHSA-N 1 2 223.280 -0.361 20 0 BBADLO CN1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1=O ZINC000682524918 487976258 /nfs/dbraw/zinc/97/62/58/487976258.db2.gz CUPOYCUDJLHYMY-SECBINFHSA-N 1 2 248.286 -0.296 20 0 BBADLO CN1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1=O ZINC000682524920 487976733 /nfs/dbraw/zinc/97/67/33/487976733.db2.gz CUPOYCUDJLHYMY-VIFPVBQESA-N 1 2 248.286 -0.296 20 0 BBADLO O=C(N[C@@H]1CNC(=O)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682526140 487975914 /nfs/dbraw/zinc/97/59/14/487975914.db2.gz OZHUJJPYKRJTRA-BDAKNGLRSA-N 1 2 248.286 -0.550 20 0 BBADLO O=C(N[C@H]1CNC(=O)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000682526142 487976137 /nfs/dbraw/zinc/97/61/37/487976137.db2.gz OZHUJJPYKRJTRA-DTWKUNHWSA-N 1 2 248.286 -0.550 20 0 BBADLO O=C(N[C@@H]1CNC(=O)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000682526144 487976461 /nfs/dbraw/zinc/97/64/61/487976461.db2.gz OZHUJJPYKRJTRA-IUCAKERBSA-N 1 2 248.286 -0.550 20 0 BBADLO O=C(N[C@H]1CNC(=O)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682526145 487976450 /nfs/dbraw/zinc/97/64/50/487976450.db2.gz OZHUJJPYKRJTRA-RKDXNWHRSA-N 1 2 248.286 -0.550 20 0 BBADLO Cn1ncnc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000682539039 487981113 /nfs/dbraw/zinc/98/11/13/487981113.db2.gz UMMLGECCQOYMIK-ATZCPNFKSA-N 1 2 249.318 -0.099 20 0 BBADLO Cn1ncnc1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000682539039 487981108 /nfs/dbraw/zinc/98/11/08/487981108.db2.gz UMMLGECCQOYMIK-ATZCPNFKSA-N 1 2 249.318 -0.099 20 0 BBADLO Cn1ncnc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000682539044 488104998 /nfs/dbraw/zinc/10/49/98/488104998.db2.gz UMMLGECCQOYMIK-IQJOONFLSA-N 1 2 249.318 -0.099 20 0 BBADLO Cn1ncnc1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000682539044 488104993 /nfs/dbraw/zinc/10/49/93/488104993.db2.gz UMMLGECCQOYMIK-IQJOONFLSA-N 1 2 249.318 -0.099 20 0 BBADLO Cn1ncnc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000682539047 488105294 /nfs/dbraw/zinc/10/52/94/488105294.db2.gz UMMLGECCQOYMIK-NGZCFLSTSA-N 1 2 249.318 -0.099 20 0 BBADLO Cn1ncnc1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000682539047 488105289 /nfs/dbraw/zinc/10/52/89/488105289.db2.gz UMMLGECCQOYMIK-NGZCFLSTSA-N 1 2 249.318 -0.099 20 0 BBADLO Cn1ncnc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000682539051 488105107 /nfs/dbraw/zinc/10/51/07/488105107.db2.gz UMMLGECCQOYMIK-QXEWZRGKSA-N 1 2 249.318 -0.099 20 0 BBADLO Cn1ncnc1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000682539051 488105102 /nfs/dbraw/zinc/10/51/02/488105102.db2.gz UMMLGECCQOYMIK-QXEWZRGKSA-N 1 2 249.318 -0.099 20 0 BBADLO CNC(=O)CC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682548199 488117730 /nfs/dbraw/zinc/11/77/30/488117730.db2.gz LWJRAKIINWXUPV-SSDOTTSWSA-N 1 2 222.235 -0.176 20 0 BBADLO CNC(=O)CC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682548199 488117726 /nfs/dbraw/zinc/11/77/26/488117726.db2.gz LWJRAKIINWXUPV-SSDOTTSWSA-N 1 2 222.235 -0.176 20 0 BBADLO CNC(=O)CC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682548202 488117912 /nfs/dbraw/zinc/11/79/12/488117912.db2.gz LWJRAKIINWXUPV-ZETCQYMHSA-N 1 2 222.235 -0.176 20 0 BBADLO CNC(=O)CC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682548202 488117907 /nfs/dbraw/zinc/11/79/07/488117907.db2.gz LWJRAKIINWXUPV-ZETCQYMHSA-N 1 2 222.235 -0.176 20 0 BBADLO Cn1[nH]cnc1=NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682609888 488001631 /nfs/dbraw/zinc/00/16/31/488001631.db2.gz ZFEKKJKLEVZMRO-MRVPVSSYSA-N 1 2 246.274 -0.365 20 0 BBADLO Cn1[nH]cnc1=NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682609889 488001555 /nfs/dbraw/zinc/00/15/55/488001555.db2.gz ZFEKKJKLEVZMRO-QMMMGPOBSA-N 1 2 246.274 -0.365 20 0 BBADLO NC(=O)[C@@]1(O)CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000682663016 488008252 /nfs/dbraw/zinc/00/82/52/488008252.db2.gz BUJWZDIWTDRDGB-GFCCVEGCSA-N 1 2 248.286 -0.220 20 0 BBADLO NC(=O)[C@]1(O)CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000682663019 488008228 /nfs/dbraw/zinc/00/82/28/488008228.db2.gz BUJWZDIWTDRDGB-LBPRGKRZSA-N 1 2 248.286 -0.220 20 0 BBADLO CCN1OC[C@H]([NH+]2CCC(CO)CC2)C1=O ZINC000682675419 488010278 /nfs/dbraw/zinc/01/02/78/488010278.db2.gz HPEITARXBFQLGG-JTQLQIEISA-N 1 2 228.292 -0.147 20 0 BBADLO CCN1OC[C@@H]([NH+]2CCC(CO)CC2)C1=O ZINC000682675420 488010207 /nfs/dbraw/zinc/01/02/07/488010207.db2.gz HPEITARXBFQLGG-SNVBAGLBSA-N 1 2 228.292 -0.147 20 0 BBADLO CCN1OC[C@@H]([NH+]2CCC(O)CC2)C1=O ZINC000682675863 488012005 /nfs/dbraw/zinc/01/20/05/488012005.db2.gz OJJWLEIFAWEJEM-SECBINFHSA-N 1 2 214.265 -0.395 20 0 BBADLO CCN1OC[C@H]([NH+]2CCC(O)CC2)C1=O ZINC000682675866 488011654 /nfs/dbraw/zinc/01/16/54/488011654.db2.gz OJJWLEIFAWEJEM-VIFPVBQESA-N 1 2 214.265 -0.395 20 0 BBADLO CCN1OC[C@@H]([N@@H+](C)CCC(=O)NC)C1=O ZINC000682676915 488011508 /nfs/dbraw/zinc/01/15/08/488011508.db2.gz KUDCBHWIWDDGKR-MRVPVSSYSA-N 1 2 229.280 -0.783 20 0 BBADLO CCN1OC[C@@H]([N@H+](C)CCC(=O)NC)C1=O ZINC000682676915 488011505 /nfs/dbraw/zinc/01/15/05/488011505.db2.gz KUDCBHWIWDDGKR-MRVPVSSYSA-N 1 2 229.280 -0.783 20 0 BBADLO CCN1OC[C@H]([N@@H+](C)CCC(=O)NC)C1=O ZINC000682676919 488012351 /nfs/dbraw/zinc/01/23/51/488012351.db2.gz KUDCBHWIWDDGKR-QMMMGPOBSA-N 1 2 229.280 -0.783 20 0 BBADLO CCN1OC[C@H]([N@H+](C)CCC(=O)NC)C1=O ZINC000682676919 488012347 /nfs/dbraw/zinc/01/23/47/488012347.db2.gz KUDCBHWIWDDGKR-QMMMGPOBSA-N 1 2 229.280 -0.783 20 0 BBADLO CCN1OC[C@H]([N@@H+](C)CCn2cccn2)C1=O ZINC000682677748 488013082 /nfs/dbraw/zinc/01/30/82/488013082.db2.gz WHVYYIDOCKMASR-JTQLQIEISA-N 1 2 238.291 -0.023 20 0 BBADLO CCN1OC[C@H]([N@H+](C)CCn2cccn2)C1=O ZINC000682677748 488013080 /nfs/dbraw/zinc/01/30/80/488013080.db2.gz WHVYYIDOCKMASR-JTQLQIEISA-N 1 2 238.291 -0.023 20 0 BBADLO CCN1OC[C@@H]([N@@H+](C)CCn2cccn2)C1=O ZINC000682677749 487490930 /nfs/dbraw/zinc/49/09/30/487490930.db2.gz WHVYYIDOCKMASR-SNVBAGLBSA-N 1 2 238.291 -0.023 20 0 BBADLO CCN1OC[C@@H]([N@H+](C)CCn2cccn2)C1=O ZINC000682677749 487490922 /nfs/dbraw/zinc/49/09/22/487490922.db2.gz WHVYYIDOCKMASR-SNVBAGLBSA-N 1 2 238.291 -0.023 20 0 BBADLO CCN1OC[C@H]([N@@H+](C)CC[C@@H](C)O)C1=O ZINC000682678201 488013183 /nfs/dbraw/zinc/01/31/83/488013183.db2.gz MROFDHOGUQXMLH-BDAKNGLRSA-N 1 2 216.281 -0.149 20 0 BBADLO CCN1OC[C@H]([N@H+](C)CC[C@@H](C)O)C1=O ZINC000682678201 488013180 /nfs/dbraw/zinc/01/31/80/488013180.db2.gz MROFDHOGUQXMLH-BDAKNGLRSA-N 1 2 216.281 -0.149 20 0 BBADLO CCN1OC[C@@H]([N@@H+](C)CC[C@H](C)O)C1=O ZINC000682678202 488013265 /nfs/dbraw/zinc/01/32/65/488013265.db2.gz MROFDHOGUQXMLH-DTWKUNHWSA-N 1 2 216.281 -0.149 20 0 BBADLO CCN1OC[C@@H]([N@H+](C)CC[C@H](C)O)C1=O ZINC000682678202 488013258 /nfs/dbraw/zinc/01/32/58/488013258.db2.gz MROFDHOGUQXMLH-DTWKUNHWSA-N 1 2 216.281 -0.149 20 0 BBADLO CCN1OC[C@H]([N@@H+](C)CC[C@H](C)O)C1=O ZINC000682678203 488004561 /nfs/dbraw/zinc/00/45/61/488004561.db2.gz MROFDHOGUQXMLH-IUCAKERBSA-N 1 2 216.281 -0.149 20 0 BBADLO CCN1OC[C@H]([N@H+](C)CC[C@H](C)O)C1=O ZINC000682678203 488004556 /nfs/dbraw/zinc/00/45/56/488004556.db2.gz MROFDHOGUQXMLH-IUCAKERBSA-N 1 2 216.281 -0.149 20 0 BBADLO CCN1OC[C@@H]([N@@H+](C)CC[C@@H](C)O)C1=O ZINC000682678204 488004981 /nfs/dbraw/zinc/00/49/81/488004981.db2.gz MROFDHOGUQXMLH-RKDXNWHRSA-N 1 2 216.281 -0.149 20 0 BBADLO CCN1OC[C@@H]([N@H+](C)CC[C@@H](C)O)C1=O ZINC000682678204 488004978 /nfs/dbraw/zinc/00/49/78/488004978.db2.gz MROFDHOGUQXMLH-RKDXNWHRSA-N 1 2 216.281 -0.149 20 0 BBADLO CCN1OC[C@@H]([N@@H+](C)CC(C)(CO)CO)C1=O ZINC000682678457 488012970 /nfs/dbraw/zinc/01/29/70/488012970.db2.gz UDSHJMFXCSTOHD-SECBINFHSA-N 1 2 246.307 -0.929 20 0 BBADLO CCN1OC[C@@H]([N@H+](C)CC(C)(CO)CO)C1=O ZINC000682678457 488012963 /nfs/dbraw/zinc/01/29/63/488012963.db2.gz UDSHJMFXCSTOHD-SECBINFHSA-N 1 2 246.307 -0.929 20 0 BBADLO CCN1OC[C@H]([N@@H+](C)CC(C)(CO)CO)C1=O ZINC000682678463 488013641 /nfs/dbraw/zinc/01/36/41/488013641.db2.gz UDSHJMFXCSTOHD-VIFPVBQESA-N 1 2 246.307 -0.929 20 0 BBADLO CCN1OC[C@H]([N@H+](C)CC(C)(CO)CO)C1=O 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488080497 /nfs/dbraw/zinc/08/04/97/488080497.db2.gz LJOWKOOYJHXEJV-LLVKDONJSA-N 1 2 223.276 -0.054 20 0 BBADLO Cn1c[nH+]cc1CC(=O)N1CC[C@](C)(O)C1 ZINC000682993606 488080607 /nfs/dbraw/zinc/08/06/07/488080607.db2.gz LJOWKOOYJHXEJV-NSHDSACASA-N 1 2 223.276 -0.054 20 0 BBADLO Cc1ccnc(C[NH+]2CCN(CC(N)=O)CC2)c1 ZINC000683003152 488084760 /nfs/dbraw/zinc/08/47/60/488084760.db2.gz LOXIBXVXGMJWDQ-UHFFFAOYSA-N 1 2 248.330 -0.007 20 0 BBADLO CC[N@H+]1CCN(S(=O)(=O)C2COC2)C[C@H]1C ZINC000683143898 488119123 /nfs/dbraw/zinc/11/91/23/488119123.db2.gz CLLJZHGVWQLBCT-SECBINFHSA-N 1 2 248.348 -0.259 20 0 BBADLO CC[N@@H+]1CCN(S(=O)(=O)C2COC2)C[C@H]1C ZINC000683143898 488119119 /nfs/dbraw/zinc/11/91/19/488119119.db2.gz CLLJZHGVWQLBCT-SECBINFHSA-N 1 2 248.348 -0.259 20 0 BBADLO CC[N@H+]1CCN(S(=O)(=O)C2COC2)C[C@@H]1C ZINC000683143899 488119335 /nfs/dbraw/zinc/11/93/35/488119335.db2.gz CLLJZHGVWQLBCT-VIFPVBQESA-N 1 2 248.348 -0.259 20 0 BBADLO CC[N@@H+]1CCN(S(=O)(=O)C2COC2)C[C@@H]1C ZINC000683143899 488119328 /nfs/dbraw/zinc/11/93/28/488119328.db2.gz CLLJZHGVWQLBCT-VIFPVBQESA-N 1 2 248.348 -0.259 20 0 BBADLO CN(Cc1[nH]cc[nH+]1)c1nccn2nnnc12 ZINC000683190306 488126349 /nfs/dbraw/zinc/12/63/49/488126349.db2.gz MQQMPLGWJBAAJJ-UHFFFAOYSA-N 1 2 230.235 -0.121 20 0 BBADLO CC(C)(C(N)=O)C(=O)NCCCn1cc[nH+]c1 ZINC000683461344 488167825 /nfs/dbraw/zinc/16/78/25/488167825.db2.gz XYBQVFAWGKMEQT-UHFFFAOYSA-N 1 2 238.291 -0.099 20 0 BBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)C(N)=O ZINC000683468505 488169985 /nfs/dbraw/zinc/16/99/85/488169985.db2.gz RKCYFVJAHNFGCW-MRVPVSSYSA-N 1 2 238.291 -0.101 20 0 BBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)C(N)=O ZINC000683468506 488169747 /nfs/dbraw/zinc/16/97/47/488169747.db2.gz RKCYFVJAHNFGCW-QMMMGPOBSA-N 1 2 238.291 -0.101 20 0 BBADLO CC(C)(C(N)=O)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000683482286 488173615 /nfs/dbraw/zinc/17/36/15/488173615.db2.gz FWJQKYIVOSTIAK-UHFFFAOYSA-N 1 2 236.275 -0.222 20 0 BBADLO CCOC[C@@H](O)C[NH+]1CC(OCCOC)C1 ZINC000683658090 488205704 /nfs/dbraw/zinc/20/57/04/488205704.db2.gz DEHXVIQHIDWLPU-JTQLQIEISA-N 1 2 233.308 -0.269 20 0 BBADLO CCOC[C@H](O)C[NH+]1CC(OCCOC)C1 ZINC000683658091 488205463 /nfs/dbraw/zinc/20/54/63/488205463.db2.gz DEHXVIQHIDWLPU-SNVBAGLBSA-N 1 2 233.308 -0.269 20 0 BBADLO CCn1ncnc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000683779483 488220169 /nfs/dbraw/zinc/22/01/69/488220169.db2.gz XUXPDOIXQVHISK-SECBINFHSA-N 1 2 237.307 -0.005 20 0 BBADLO CCn1ncnc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000683779483 488220164 /nfs/dbraw/zinc/22/01/64/488220164.db2.gz XUXPDOIXQVHISK-SECBINFHSA-N 1 2 237.307 -0.005 20 0 BBADLO CCn1ncnc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000683779484 488220311 /nfs/dbraw/zinc/22/03/11/488220311.db2.gz XUXPDOIXQVHISK-VIFPVBQESA-N 1 2 237.307 -0.005 20 0 BBADLO CCn1ncnc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000683779484 488220306 /nfs/dbraw/zinc/22/03/06/488220306.db2.gz XUXPDOIXQVHISK-VIFPVBQESA-N 1 2 237.307 -0.005 20 0 BBADLO O=C(NCc1nn[nH]n1)[C@H]1CCC[N@H+]1C1CC1 ZINC000683850048 488231546 /nfs/dbraw/zinc/23/15/46/488231546.db2.gz OZPYQCNDAMVZFB-MRVPVSSYSA-N 1 2 236.279 -0.557 20 0 BBADLO O=C(NCc1nn[nH]n1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000683850048 488231545 /nfs/dbraw/zinc/23/15/45/488231545.db2.gz OZPYQCNDAMVZFB-MRVPVSSYSA-N 1 2 236.279 -0.557 20 0 BBADLO O=C(NCc1nn[nH]n1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000683850049 488231726 /nfs/dbraw/zinc/23/17/26/488231726.db2.gz OZPYQCNDAMVZFB-QMMMGPOBSA-N 1 2 236.279 -0.557 20 0 BBADLO O=C(NCc1nn[nH]n1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000683850049 488231724 /nfs/dbraw/zinc/23/17/24/488231724.db2.gz OZPYQCNDAMVZFB-QMMMGPOBSA-N 1 2 236.279 -0.557 20 0 BBADLO C[C@@H]1C(=O)NCCN1Cc1cn(C)c[nH+]1 ZINC000683898111 488240206 /nfs/dbraw/zinc/24/02/06/488240206.db2.gz LMQXUVLKJMWGIK-MRVPVSSYSA-N 1 2 208.265 -0.260 20 0 BBADLO C[C@H]1C(=O)NCCN1Cc1cn(C)c[nH+]1 ZINC000683898112 488234369 /nfs/dbraw/zinc/23/43/69/488234369.db2.gz LMQXUVLKJMWGIK-QMMMGPOBSA-N 1 2 208.265 -0.260 20 0 BBADLO Cn1cnc(C[N@@H+](C)CC(C)(CO)CO)c1 ZINC000683898319 488240561 /nfs/dbraw/zinc/24/05/61/488240561.db2.gz MMHZRDDQZGBJKI-UHFFFAOYSA-N 1 2 227.308 -0.157 20 0 BBADLO Cn1cnc(C[N@H+](C)CC(C)(CO)CO)c1 ZINC000683898319 488240558 /nfs/dbraw/zinc/24/05/58/488240558.db2.gz MMHZRDDQZGBJKI-UHFFFAOYSA-N 1 2 227.308 -0.157 20 0 BBADLO Cn1c[nH+]c(CN2CCN3C(=O)NC[C@H]3C2)c1 ZINC000683898877 488241381 /nfs/dbraw/zinc/24/13/81/488241381.db2.gz UKAKYZLXCPJMGD-JTQLQIEISA-N 1 2 235.291 -0.371 20 0 BBADLO Cn1c[nH+]c(CN2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000683898878 488241279 /nfs/dbraw/zinc/24/12/79/488241279.db2.gz UKAKYZLXCPJMGD-SNVBAGLBSA-N 1 2 235.291 -0.371 20 0 BBADLO Cn1c[nH+]c(CN2CCN(CC(N)=O)CC2)c1 ZINC000683898887 488241268 /nfs/dbraw/zinc/24/12/68/488241268.db2.gz UOBBQFICEUQXLV-UHFFFAOYSA-N 1 2 237.307 -0.977 20 0 BBADLO CN(C)C(=O)CN(C)Cc1cn(C)c[nH+]1 ZINC000683898932 488241176 /nfs/dbraw/zinc/24/11/76/488241176.db2.gz QXJGETMRWIRIPJ-UHFFFAOYSA-N 1 2 210.281 -0.060 20 0 BBADLO Cn1c[nH+]c(CN2CCN(C(=O)CO)CC2)c1 ZINC000683899800 488241828 /nfs/dbraw/zinc/24/18/28/488241828.db2.gz KQMAIZMDYIPFOS-UHFFFAOYSA-N 1 2 238.291 -0.943 20 0 BBADLO CNC(=O)[C@@H]1CN(Cc2cn(C)c[nH+]2)CCO1 ZINC000683900007 488238279 /nfs/dbraw/zinc/23/82/79/488238279.db2.gz OGMCLXWUQXCFCX-JTQLQIEISA-N 1 2 238.291 -0.633 20 0 BBADLO CNC(=O)[C@H]1CN(Cc2cn(C)c[nH+]2)CCO1 ZINC000683900009 488238235 /nfs/dbraw/zinc/23/82/35/488238235.db2.gz OGMCLXWUQXCFCX-SNVBAGLBSA-N 1 2 238.291 -0.633 20 0 BBADLO O=C(CO)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000683900318 488241938 /nfs/dbraw/zinc/24/19/38/488241938.db2.gz SXDVJDZAFAQEKX-UHFFFAOYSA-N 1 2 224.264 -0.954 20 0 BBADLO CCNC(=O)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000683917744 488244253 /nfs/dbraw/zinc/24/42/53/488244253.db2.gz LYGKWCFYBNHQDM-UHFFFAOYSA-N 1 2 238.291 -0.060 20 0 BBADLO Cc1nc(=NC(=O)CCc2c[nH+]cn2C)n(C)[nH]1 ZINC000683919668 488244652 /nfs/dbraw/zinc/24/46/52/488244652.db2.gz VJFQBCAAIIDSDA-UHFFFAOYSA-N 1 2 248.290 -0.150 20 0 BBADLO CN(C)C(=O)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000683919699 488244859 /nfs/dbraw/zinc/24/48/59/488244859.db2.gz XXTWFAAPZRQKPN-UHFFFAOYSA-N 1 2 238.291 -0.108 20 0 BBADLO CC(C)n1ncnc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000683995549 488254001 /nfs/dbraw/zinc/25/40/01/488254001.db2.gz VWFGLDORTIWMIE-AOOOYVTPSA-N 1 2 240.307 -0.214 20 0 BBADLO CC(C)n1ncnc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000683995549 488254000 /nfs/dbraw/zinc/25/40/00/488254000.db2.gz VWFGLDORTIWMIE-AOOOYVTPSA-N 1 2 240.307 -0.214 20 0 BBADLO CCCn1ncnc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000684093092 488266031 /nfs/dbraw/zinc/26/60/31/488266031.db2.gz KAVWONALOWGWQF-AOOOYVTPSA-N 1 2 240.307 -0.384 20 0 BBADLO CCCn1ncnc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000684093092 488266027 /nfs/dbraw/zinc/26/60/27/488266027.db2.gz KAVWONALOWGWQF-AOOOYVTPSA-N 1 2 240.307 -0.384 20 0 BBADLO O=C1C[N@@H+](C[C@H]2CNc3ccnn3C2)CCN1 ZINC000684194954 488274333 /nfs/dbraw/zinc/27/43/33/488274333.db2.gz JSXPVNDNYLADSC-SECBINFHSA-N 1 2 235.291 -0.643 20 0 BBADLO O=C1C[N@H+](C[C@H]2CNc3ccnn3C2)CCN1 ZINC000684194954 488274331 /nfs/dbraw/zinc/27/43/31/488274331.db2.gz JSXPVNDNYLADSC-SECBINFHSA-N 1 2 235.291 -0.643 20 0 BBADLO O=C1C[N@@H+](C[C@@H]2CNc3ccnn3C2)CCN1 ZINC000684194955 488274088 /nfs/dbraw/zinc/27/40/88/488274088.db2.gz JSXPVNDNYLADSC-VIFPVBQESA-N 1 2 235.291 -0.643 20 0 BBADLO O=C1C[N@H+](C[C@@H]2CNc3ccnn3C2)CCN1 ZINC000684194955 488274086 /nfs/dbraw/zinc/27/40/86/488274086.db2.gz JSXPVNDNYLADSC-VIFPVBQESA-N 1 2 235.291 -0.643 20 0 BBADLO CC(C)(O)CC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000684291831 488287145 /nfs/dbraw/zinc/28/71/45/488287145.db2.gz BJMGZHWRAMVQIN-JTQLQIEISA-N 1 2 241.335 -0.737 20 0 BBADLO CC(C)(O)CC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000684291832 488287264 /nfs/dbraw/zinc/28/72/64/488287264.db2.gz BJMGZHWRAMVQIN-SNVBAGLBSA-N 1 2 241.335 -0.737 20 0 BBADLO CCNC(=O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000684399997 488306390 /nfs/dbraw/zinc/30/63/90/488306390.db2.gz ZQZBIJMMZNESPJ-UHFFFAOYSA-N 1 2 238.291 -0.063 20 0 BBADLO CCNC(=O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000684399997 488306389 /nfs/dbraw/zinc/30/63/89/488306389.db2.gz ZQZBIJMMZNESPJ-UHFFFAOYSA-N 1 2 238.291 -0.063 20 0 BBADLO CN1CC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1=O ZINC000684486451 488320844 /nfs/dbraw/zinc/32/08/44/488320844.db2.gz CXCGBOWMJGHRCU-SECBINFHSA-N 1 2 236.275 -0.380 20 0 BBADLO CN1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1=O ZINC000684486453 488320784 /nfs/dbraw/zinc/32/07/84/488320784.db2.gz CXCGBOWMJGHRCU-VIFPVBQESA-N 1 2 236.275 -0.380 20 0 BBADLO C[C@@H](C(=O)NCC1(S(C)(=O)=O)CC1)[NH+](C)C ZINC000684498733 487930594 /nfs/dbraw/zinc/93/05/94/487930594.db2.gz IPHIKYXRRYXMKC-QMMMGPOBSA-N 1 2 248.348 -0.370 20 0 BBADLO COC[C@@H](CO)NC(=O)CCCn1cc[nH+]c1 ZINC000684504570 488322986 /nfs/dbraw/zinc/32/29/86/488322986.db2.gz XTMGZHUWHBRHIU-SNVBAGLBSA-N 1 2 241.291 -0.213 20 0 BBADLO CN(CCNS(C)(=O)=O)Cc1c[nH]c[nH+]1 ZINC000684617528 488332770 /nfs/dbraw/zinc/33/27/70/488332770.db2.gz MZPKEECLYHCGQM-UHFFFAOYSA-N 1 2 232.309 -0.609 20 0 BBADLO CN(CCNS(C)(=O)=O)Cc1c[nH+]c[nH]1 ZINC000684617528 488332769 /nfs/dbraw/zinc/33/27/69/488332769.db2.gz MZPKEECLYHCGQM-UHFFFAOYSA-N 1 2 232.309 -0.609 20 0 BBADLO Cc1nccc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)n1 ZINC000684618551 488333378 /nfs/dbraw/zinc/33/33/78/488333378.db2.gz RHZARXNSNFAJLG-LLVKDONJSA-N 1 2 247.302 -0.006 20 0 BBADLO Cc1nccc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)n1 ZINC000684618551 488333375 /nfs/dbraw/zinc/33/33/75/488333375.db2.gz RHZARXNSNFAJLG-LLVKDONJSA-N 1 2 247.302 -0.006 20 0 BBADLO Cc1nccc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)n1 ZINC000684618552 488333085 /nfs/dbraw/zinc/33/30/85/488333085.db2.gz RHZARXNSNFAJLG-NSHDSACASA-N 1 2 247.302 -0.006 20 0 BBADLO Cc1nccc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)n1 ZINC000684618552 488333084 /nfs/dbraw/zinc/33/30/84/488333084.db2.gz RHZARXNSNFAJLG-NSHDSACASA-N 1 2 247.302 -0.006 20 0 BBADLO Cn1cnc(C[N@H+]2CCNC(=O)CC2)c1 ZINC000684835660 488347724 /nfs/dbraw/zinc/34/77/24/488347724.db2.gz GYFAIBSPBDJERH-UHFFFAOYSA-N 1 2 208.265 -0.258 20 0 BBADLO Cn1cnc(C[N@@H+]2CCNC(=O)CC2)c1 ZINC000684835660 488347721 /nfs/dbraw/zinc/34/77/21/488347721.db2.gz GYFAIBSPBDJERH-UHFFFAOYSA-N 1 2 208.265 -0.258 20 0 BBADLO Cn1c[nH+]c(CN2CCNC(=O)CC2)c1 ZINC000684835660 488347720 /nfs/dbraw/zinc/34/77/20/488347720.db2.gz GYFAIBSPBDJERH-UHFFFAOYSA-N 1 2 208.265 -0.258 20 0 BBADLO O=C(Cn1cnnn1)Nc1ccn2cc[nH+]c2c1 ZINC000684852802 488349464 /nfs/dbraw/zinc/34/94/64/488349464.db2.gz COXLXHAGVLRIQI-UHFFFAOYSA-N 1 2 243.230 -0.041 20 0 BBADLO CN(C)c1c[nH+]ccc1NC(=O)CNC(N)=O ZINC000684880410 488349943 /nfs/dbraw/zinc/34/99/43/488349943.db2.gz FUETYIGYHJSDFD-UHFFFAOYSA-N 1 2 237.263 -0.824 20 0 BBADLO CN(C)c1c[nH+]ccc1NC(=O)c1cnnn1C ZINC000684928398 488353559 /nfs/dbraw/zinc/35/35/59/488353559.db2.gz XNQCVTZUYMHVQE-UHFFFAOYSA-N 1 2 246.274 -0.050 20 0 BBADLO Cn1nnc(C[N@@H+](CCO)CC2CC2)n1 ZINC000685035051 487493877 /nfs/dbraw/zinc/49/38/77/487493877.db2.gz VLLGICDSXWSCJO-UHFFFAOYSA-N 1 2 211.269 -0.586 20 0 BBADLO Cn1nnc(C[N@H+](CCO)CC2CC2)n1 ZINC000685035051 487493876 /nfs/dbraw/zinc/49/38/76/487493876.db2.gz VLLGICDSXWSCJO-UHFFFAOYSA-N 1 2 211.269 -0.586 20 0 BBADLO COC[C@H]1CCC[N@H+]1Cc1nnn(C)n1 ZINC000685036786 487493492 /nfs/dbraw/zinc/49/34/92/487493492.db2.gz MOTSDGQRUWTCIQ-MRVPVSSYSA-N 1 2 211.269 -0.179 20 0 BBADLO COC[C@H]1CCC[N@@H+]1Cc1nnn(C)n1 ZINC000685036786 487493488 /nfs/dbraw/zinc/49/34/88/487493488.db2.gz MOTSDGQRUWTCIQ-MRVPVSSYSA-N 1 2 211.269 -0.179 20 0 BBADLO COC[C@@H]1CCC[N@H+]1Cc1nnn(C)n1 ZINC000685036789 487493752 /nfs/dbraw/zinc/49/37/52/487493752.db2.gz MOTSDGQRUWTCIQ-QMMMGPOBSA-N 1 2 211.269 -0.179 20 0 BBADLO COC[C@@H]1CCC[N@@H+]1Cc1nnn(C)n1 ZINC000685036789 487493746 /nfs/dbraw/zinc/49/37/46/487493746.db2.gz MOTSDGQRUWTCIQ-QMMMGPOBSA-N 1 2 211.269 -0.179 20 0 BBADLO Cc1cn2c([nH+]1)CN(Cc1nnn(C)n1)CC2 ZINC000685037242 487494002 /nfs/dbraw/zinc/49/40/02/487494002.db2.gz AVKFUBILFTXRNH-UHFFFAOYSA-N 1 2 233.279 -0.269 20 0 BBADLO Cn1nnc(C[N@H+]2CCc3c[nH]nc3C2)n1 ZINC000685037706 487494494 /nfs/dbraw/zinc/49/44/94/487494494.db2.gz IRCIMMGLIGIWQO-UHFFFAOYSA-N 1 2 219.252 -0.509 20 0 BBADLO Cn1nnc(C[N@@H+]2CCc3c[nH]nc3C2)n1 ZINC000685037706 487494493 /nfs/dbraw/zinc/49/44/93/487494493.db2.gz IRCIMMGLIGIWQO-UHFFFAOYSA-N 1 2 219.252 -0.509 20 0 BBADLO Cn1nnc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)n1 ZINC000685038659 487494467 /nfs/dbraw/zinc/49/44/67/487494467.db2.gz IQBHSXPFVCDXEB-KYZUINATSA-N 1 2 225.296 -0.055 20 0 BBADLO Cn1nnc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)n1 ZINC000685038659 487494465 /nfs/dbraw/zinc/49/44/65/487494465.db2.gz IQBHSXPFVCDXEB-KYZUINATSA-N 1 2 225.296 -0.055 20 0 BBADLO Cn1nnc(C[N@H+]2CCC23CCOCC3)n1 ZINC000685038675 487494454 /nfs/dbraw/zinc/49/44/54/487494454.db2.gz LERPABQTYZJRCQ-UHFFFAOYSA-N 1 2 223.280 -0.035 20 0 BBADLO Cn1nnc(C[N@@H+]2CCC23CCOCC3)n1 ZINC000685038675 487494452 /nfs/dbraw/zinc/49/44/52/487494452.db2.gz LERPABQTYZJRCQ-UHFFFAOYSA-N 1 2 223.280 -0.035 20 0 BBADLO CCO[C@H]1COCC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC000685039572 487494508 /nfs/dbraw/zinc/49/45/08/487494508.db2.gz VXCKWQXJHZUTHC-BDAKNGLRSA-N 1 2 241.295 -0.506 20 0 BBADLO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC000685039574 487494572 /nfs/dbraw/zinc/49/45/72/487494572.db2.gz VXCKWQXJHZUTHC-DTWKUNHWSA-N 1 2 241.295 -0.506 20 0 BBADLO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC000685039575 487495003 /nfs/dbraw/zinc/49/50/03/487495003.db2.gz VXCKWQXJHZUTHC-IUCAKERBSA-N 1 2 241.295 -0.506 20 0 BBADLO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC000685039577 487494612 /nfs/dbraw/zinc/49/46/12/487494612.db2.gz VXCKWQXJHZUTHC-RKDXNWHRSA-N 1 2 241.295 -0.506 20 0 BBADLO CC(C)n1cc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)nn1 ZINC000685419933 487519715 /nfs/dbraw/zinc/51/97/15/487519715.db2.gz OFFWODLXKDZMMA-PHIMTYICSA-N 1 2 240.307 -0.214 20 0 BBADLO CC(C)n1cc(C[N@H+]2C[C@H](O)C[C@H](O)C2)nn1 ZINC000685419933 487519714 /nfs/dbraw/zinc/51/97/14/487519714.db2.gz OFFWODLXKDZMMA-PHIMTYICSA-N 1 2 240.307 -0.214 20 0 BBADLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1cnnn1C ZINC000685468908 487524330 /nfs/dbraw/zinc/52/43/30/487524330.db2.gz HBTNPXCIDBJADP-MRVPVSSYSA-N 1 2 223.280 -0.475 20 0 BBADLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1cnnn1C ZINC000685468908 487524326 /nfs/dbraw/zinc/52/43/26/487524326.db2.gz HBTNPXCIDBJADP-MRVPVSSYSA-N 1 2 223.280 -0.475 20 0 BBADLO C[C@H]1CC(=O)NCC[N@H+]1Cc1cnnn1C ZINC000685468909 487524342 /nfs/dbraw/zinc/52/43/42/487524342.db2.gz HBTNPXCIDBJADP-QMMMGPOBSA-N 1 2 223.280 -0.475 20 0 BBADLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1cnnn1C ZINC000685468909 487524339 /nfs/dbraw/zinc/52/43/39/487524339.db2.gz HBTNPXCIDBJADP-QMMMGPOBSA-N 1 2 223.280 -0.475 20 0 BBADLO Nc1cc(Cn2nnn(C3CC3)c2=O)cc[nH+]1 ZINC000685572780 487554376 /nfs/dbraw/zinc/55/43/76/487554376.db2.gz JCXQFLZGBWHPDS-UHFFFAOYSA-N 1 2 232.247 -0.200 20 0 BBADLO C[C@@H](O)C[N@@H+](CCO)CC(=O)Nc1ccon1 ZINC000685589703 487560743 /nfs/dbraw/zinc/56/07/43/487560743.db2.gz INNCFTFQLKJGEJ-MRVPVSSYSA-N 1 2 243.263 -0.712 20 0 BBADLO C[C@@H](O)C[N@H+](CCO)CC(=O)Nc1ccon1 ZINC000685589703 487560738 /nfs/dbraw/zinc/56/07/38/487560738.db2.gz INNCFTFQLKJGEJ-MRVPVSSYSA-N 1 2 243.263 -0.712 20 0 BBADLO C[C@H](O)C[N@@H+](CCO)CC(=O)Nc1ccon1 ZINC000685589704 487560125 /nfs/dbraw/zinc/56/01/25/487560125.db2.gz INNCFTFQLKJGEJ-QMMMGPOBSA-N 1 2 243.263 -0.712 20 0 BBADLO C[C@H](O)C[N@H+](CCO)CC(=O)Nc1ccon1 ZINC000685589704 487560119 /nfs/dbraw/zinc/56/01/19/487560119.db2.gz INNCFTFQLKJGEJ-QMMMGPOBSA-N 1 2 243.263 -0.712 20 0 BBADLO Cn1[nH]cnc1=NC(=O)N1CCn2c[nH+]cc2C1 ZINC000685640129 487568520 /nfs/dbraw/zinc/56/85/20/487568520.db2.gz YVUZEOXLPDULRG-UHFFFAOYSA-N 1 2 247.262 -0.519 20 0 BBADLO Cc1cn[nH]c1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000685838712 487583355 /nfs/dbraw/zinc/58/33/55/487583355.db2.gz KDZUYNUWBLKODO-DTORHVGOSA-N 1 2 211.265 -0.354 20 0 BBADLO Cc1cn[nH]c1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000685838712 487583353 /nfs/dbraw/zinc/58/33/53/487583353.db2.gz KDZUYNUWBLKODO-DTORHVGOSA-N 1 2 211.265 -0.354 20 0 BBADLO Cc1c[nH]nc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000685838712 487583349 /nfs/dbraw/zinc/58/33/49/487583349.db2.gz KDZUYNUWBLKODO-DTORHVGOSA-N 1 2 211.265 -0.354 20 0 BBADLO Cc1c[nH]nc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000685838712 487583346 /nfs/dbraw/zinc/58/33/46/487583346.db2.gz KDZUYNUWBLKODO-DTORHVGOSA-N 1 2 211.265 -0.354 20 0 BBADLO Cn1cnc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)n1 ZINC000685854058 487589097 /nfs/dbraw/zinc/58/90/97/487589097.db2.gz PVRCXZIQMJITTQ-MRVPVSSYSA-N 1 2 246.274 -0.244 20 0 BBADLO Cn1cnc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)n1 ZINC000685854060 487589762 /nfs/dbraw/zinc/58/97/62/487589762.db2.gz PVRCXZIQMJITTQ-QMMMGPOBSA-N 1 2 246.274 -0.244 20 0 BBADLO Cc1cn(C)nc1C[NH+](CCO)CCO ZINC000685947461 538889343 /nfs/dbraw/zinc/88/93/43/538889343.db2.gz VVCSLOFVIUUOOY-UHFFFAOYSA-N 1 2 213.281 -0.485 20 0 BBADLO Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)[nH]n1 ZINC000700589876 711998856 /nfs/dbraw/zinc/99/88/56/711998856.db2.gz CUOYROJHJXZUMI-SECBINFHSA-N 1 2 238.291 -0.533 20 0 BBADLO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)[nH]n1 ZINC000700589876 711998855 /nfs/dbraw/zinc/99/88/55/711998855.db2.gz CUOYROJHJXZUMI-SECBINFHSA-N 1 2 238.291 -0.533 20 0 BBADLO Cc1cc(C(=O)N2CC[N@H+](C)C[C@H]2CO)[nH]n1 ZINC000700589879 711998900 /nfs/dbraw/zinc/99/89/00/711998900.db2.gz CUOYROJHJXZUMI-VIFPVBQESA-N 1 2 238.291 -0.533 20 0 BBADLO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2CO)[nH]n1 ZINC000700589879 711998899 /nfs/dbraw/zinc/99/88/99/711998899.db2.gz CUOYROJHJXZUMI-VIFPVBQESA-N 1 2 238.291 -0.533 20 0 BBADLO CN1C[C@H](C(=O)NCc2ccc(N)[nH+]c2)CC1=O ZINC000701011695 712011607 /nfs/dbraw/zinc/01/16/07/712011607.db2.gz BTXIHNTWMNIUPS-SECBINFHSA-N 1 2 248.286 -0.242 20 0 BBADLO CN1C[C@@H](C(=O)NCc2ccc(N)[nH+]c2)CC1=O ZINC000701011698 712011553 /nfs/dbraw/zinc/01/15/53/712011553.db2.gz BTXIHNTWMNIUPS-VIFPVBQESA-N 1 2 248.286 -0.242 20 0 BBADLO CC[NH+]1CC(NC(=O)c2nccnc2N)C1 ZINC000701171678 712017931 /nfs/dbraw/zinc/01/79/31/712017931.db2.gz CDOAEHBZZKQDGN-UHFFFAOYSA-N 1 2 221.264 -0.507 20 0 BBADLO CCC[NH+]1CC(NC(=O)c2nccnc2N)C1 ZINC000701177223 712017883 /nfs/dbraw/zinc/01/78/83/712017883.db2.gz ZTZLKUOLJJDSTC-UHFFFAOYSA-N 1 2 235.291 -0.117 20 0 BBADLO O=C(c1cccnn1)N1CC[NH+](CCO)CC1 ZINC000701790885 712029223 /nfs/dbraw/zinc/02/92/23/712029223.db2.gz MMCPVDDAGYISJA-UHFFFAOYSA-N 1 2 236.275 -0.773 20 0 BBADLO O=C(Cn1cc[nH+]c1)N1CCOC[C@@H]1CCO ZINC000702212395 712041115 /nfs/dbraw/zinc/04/11/15/712041115.db2.gz OOUHHNRCGVCVEY-JTQLQIEISA-N 1 2 239.275 -0.507 20 0 BBADLO O=C(Cn1cc[nH+]c1)N1CCOC[C@H]1CCO ZINC000702212396 712040698 /nfs/dbraw/zinc/04/06/98/712040698.db2.gz OOUHHNRCGVCVEY-SNVBAGLBSA-N 1 2 239.275 -0.507 20 0 BBADLO O=C1CCCN1CC[N@@H+]1CCOC[C@H]1CCO ZINC000702227406 712042918 /nfs/dbraw/zinc/04/29/18/712042918.db2.gz NHYNHHWQADPVEZ-LLVKDONJSA-N 1 2 242.319 -0.308 20 0 BBADLO O=C1CCCN1CC[N@H+]1CCOC[C@H]1CCO ZINC000702227406 712042917 /nfs/dbraw/zinc/04/29/17/712042917.db2.gz NHYNHHWQADPVEZ-LLVKDONJSA-N 1 2 242.319 -0.308 20 0 BBADLO O=C1CCCN1CC[N@@H+]1CCOC[C@@H]1CCO ZINC000702227410 712042956 /nfs/dbraw/zinc/04/29/56/712042956.db2.gz NHYNHHWQADPVEZ-NSHDSACASA-N 1 2 242.319 -0.308 20 0 BBADLO O=C1CCCN1CC[N@H+]1CCOC[C@@H]1CCO ZINC000702227410 712042953 /nfs/dbraw/zinc/04/29/53/712042953.db2.gz NHYNHHWQADPVEZ-NSHDSACASA-N 1 2 242.319 -0.308 20 0 BBADLO CCCOCC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000703800287 712088470 /nfs/dbraw/zinc/08/84/70/712088470.db2.gz NJRMDTPERFWSGT-JTQLQIEISA-N 1 2 230.308 -0.452 20 0 BBADLO CCCOCC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000703800287 712088467 /nfs/dbraw/zinc/08/84/67/712088467.db2.gz NJRMDTPERFWSGT-JTQLQIEISA-N 1 2 230.308 -0.452 20 0 BBADLO CCCOCC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000703800289 712088512 /nfs/dbraw/zinc/08/85/12/712088512.db2.gz NJRMDTPERFWSGT-SNVBAGLBSA-N 1 2 230.308 -0.452 20 0 BBADLO CCCOCC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000703800289 712088508 /nfs/dbraw/zinc/08/85/08/712088508.db2.gz NJRMDTPERFWSGT-SNVBAGLBSA-N 1 2 230.308 -0.452 20 0 BBADLO C[N@H+]1CCN(c2nccnc2F)[C@@H](CO)C1 ZINC000703831969 712089712 /nfs/dbraw/zinc/08/97/12/712089712.db2.gz AOTQHIVQPWGSRT-MRVPVSSYSA-N 1 2 226.255 -0.272 20 0 BBADLO C[N@@H+]1CCN(c2nccnc2F)[C@@H](CO)C1 ZINC000703831969 712089710 /nfs/dbraw/zinc/08/97/10/712089710.db2.gz AOTQHIVQPWGSRT-MRVPVSSYSA-N 1 2 226.255 -0.272 20 0 BBADLO C[N@H+]1CCN(c2nccnc2F)[C@H](CO)C1 ZINC000703831970 712090026 /nfs/dbraw/zinc/09/00/26/712090026.db2.gz AOTQHIVQPWGSRT-QMMMGPOBSA-N 1 2 226.255 -0.272 20 0 BBADLO C[N@@H+]1CCN(c2nccnc2F)[C@H](CO)C1 ZINC000703831970 712090022 /nfs/dbraw/zinc/09/00/22/712090022.db2.gz AOTQHIVQPWGSRT-QMMMGPOBSA-N 1 2 226.255 -0.272 20 0 BBADLO C[N@H+]1CCN(C(=O)COC(C)(C)C)[C@H](CO)C1 ZINC000703917125 712093824 /nfs/dbraw/zinc/09/38/24/712093824.db2.gz OYKDVJXKELLIQM-JTQLQIEISA-N 1 2 244.335 -0.064 20 0 BBADLO C[N@@H+]1CCN(C(=O)COC(C)(C)C)[C@H](CO)C1 ZINC000703917125 712093822 /nfs/dbraw/zinc/09/38/22/712093822.db2.gz OYKDVJXKELLIQM-JTQLQIEISA-N 1 2 244.335 -0.064 20 0 BBADLO C[N@H+]1CCN(C(=O)COC(C)(C)C)[C@@H](CO)C1 ZINC000703917127 712094327 /nfs/dbraw/zinc/09/43/27/712094327.db2.gz OYKDVJXKELLIQM-SNVBAGLBSA-N 1 2 244.335 -0.064 20 0 BBADLO C[N@@H+]1CCN(C(=O)COC(C)(C)C)[C@@H](CO)C1 ZINC000703917127 712094326 /nfs/dbraw/zinc/09/43/26/712094326.db2.gz OYKDVJXKELLIQM-SNVBAGLBSA-N 1 2 244.335 -0.064 20 0 BBADLO Cn1cnc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)c1 ZINC000703917593 712094354 /nfs/dbraw/zinc/09/43/54/712094354.db2.gz PZSRZXJVZZGJGI-SECBINFHSA-N 1 2 238.291 -0.831 20 0 BBADLO Cn1cnc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)c1 ZINC000703917593 712094353 /nfs/dbraw/zinc/09/43/53/712094353.db2.gz PZSRZXJVZZGJGI-SECBINFHSA-N 1 2 238.291 -0.831 20 0 BBADLO Cn1cnc(C(=O)N2CC[N@@H+](C)C[C@H]2CO)c1 ZINC000703917595 712094316 /nfs/dbraw/zinc/09/43/16/712094316.db2.gz PZSRZXJVZZGJGI-VIFPVBQESA-N 1 2 238.291 -0.831 20 0 BBADLO Cn1cnc(C(=O)N2CC[N@H+](C)C[C@H]2CO)c1 ZINC000703917595 712094315 /nfs/dbraw/zinc/09/43/15/712094315.db2.gz PZSRZXJVZZGJGI-VIFPVBQESA-N 1 2 238.291 -0.831 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNc1cc(=O)[nH]cn1 ZINC000703936179 712095127 /nfs/dbraw/zinc/09/51/27/712095127.db2.gz YHGLACZVUWLNAK-MRVPVSSYSA-N 1 2 224.264 -0.075 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNc1cc(=O)[nH]cn1 ZINC000703936179 712095126 /nfs/dbraw/zinc/09/51/26/712095126.db2.gz YHGLACZVUWLNAK-MRVPVSSYSA-N 1 2 224.264 -0.075 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNc1cc(=O)[nH]cn1 ZINC000703936180 712094977 /nfs/dbraw/zinc/09/49/77/712094977.db2.gz YHGLACZVUWLNAK-QMMMGPOBSA-N 1 2 224.264 -0.075 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNc1cc(=O)[nH]cn1 ZINC000703936180 712094976 /nfs/dbraw/zinc/09/49/76/712094976.db2.gz YHGLACZVUWLNAK-QMMMGPOBSA-N 1 2 224.264 -0.075 20 0 BBADLO NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(N)nn1 ZINC000703947716 712092725 /nfs/dbraw/zinc/09/27/25/712092725.db2.gz OXNXSUDYLTYZDO-SECBINFHSA-N 1 2 235.291 -0.101 20 0 BBADLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N)nn1 ZINC000703947716 712092724 /nfs/dbraw/zinc/09/27/24/712092724.db2.gz OXNXSUDYLTYZDO-SECBINFHSA-N 1 2 235.291 -0.101 20 0 BBADLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(N)nn1 ZINC000703947887 712092659 /nfs/dbraw/zinc/09/26/59/712092659.db2.gz OXNXSUDYLTYZDO-VIFPVBQESA-N 1 2 235.291 -0.101 20 0 BBADLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N)nn1 ZINC000703947887 712092658 /nfs/dbraw/zinc/09/26/58/712092658.db2.gz OXNXSUDYLTYZDO-VIFPVBQESA-N 1 2 235.291 -0.101 20 0 BBADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(N)nn1 ZINC000703947983 712092730 /nfs/dbraw/zinc/09/27/30/712092730.db2.gz SGFBKTRRIKOWBC-SECBINFHSA-N 1 2 235.291 -0.231 20 0 BBADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N)nn1 ZINC000703947983 712092729 /nfs/dbraw/zinc/09/27/29/712092729.db2.gz SGFBKTRRIKOWBC-SECBINFHSA-N 1 2 235.291 -0.231 20 0 BBADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N)nn1 ZINC000703947986 712093003 /nfs/dbraw/zinc/09/30/03/712093003.db2.gz SGFBKTRRIKOWBC-VIFPVBQESA-N 1 2 235.291 -0.231 20 0 BBADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N)nn1 ZINC000703947986 712093000 /nfs/dbraw/zinc/09/30/00/712093000.db2.gz SGFBKTRRIKOWBC-VIFPVBQESA-N 1 2 235.291 -0.231 20 0 BBADLO CN1CC[N@@H+](Cc2ccc(N)nn2)CCC1=O ZINC000703948034 712092804 /nfs/dbraw/zinc/09/28/04/712092804.db2.gz UIUBGUCVGDRJIT-UHFFFAOYSA-N 1 2 235.291 -0.277 20 0 BBADLO CN1CC[N@H+](Cc2ccc(N)nn2)CCC1=O ZINC000703948034 712092803 /nfs/dbraw/zinc/09/28/03/712092803.db2.gz UIUBGUCVGDRJIT-UHFFFAOYSA-N 1 2 235.291 -0.277 20 0 BBADLO CC(C)[N@@H+](CC(N)=O)Cc1ccc(N)nn1 ZINC000703963415 712096600 /nfs/dbraw/zinc/09/66/00/712096600.db2.gz HLDLFLGSGRCJAU-UHFFFAOYSA-N 1 2 223.280 -0.246 20 0 BBADLO CC(C)[N@H+](CC(N)=O)Cc1ccc(N)nn1 ZINC000703963415 712096597 /nfs/dbraw/zinc/09/65/97/712096597.db2.gz HLDLFLGSGRCJAU-UHFFFAOYSA-N 1 2 223.280 -0.246 20 0 BBADLO CC[N@@H+](CC(=O)NC)Cc1ccc(N)nn1 ZINC000703963431 712096656 /nfs/dbraw/zinc/09/66/56/712096656.db2.gz IVYYWIQFGIOAGC-UHFFFAOYSA-N 1 2 223.280 -0.373 20 0 BBADLO CC[N@H+](CC(=O)NC)Cc1ccc(N)nn1 ZINC000703963431 712096653 /nfs/dbraw/zinc/09/66/53/712096653.db2.gz IVYYWIQFGIOAGC-UHFFFAOYSA-N 1 2 223.280 -0.373 20 0 BBADLO CC[N@@H+](CC(=O)N(C)C)Cc1ccc(N)nn1 ZINC000703980965 712098383 /nfs/dbraw/zinc/09/83/83/712098383.db2.gz DKSUWTZRXDYTKM-UHFFFAOYSA-N 1 2 237.307 -0.031 20 0 BBADLO CC[N@H+](CC(=O)N(C)C)Cc1ccc(N)nn1 ZINC000703980965 712098380 /nfs/dbraw/zinc/09/83/80/712098380.db2.gz DKSUWTZRXDYTKM-UHFFFAOYSA-N 1 2 237.307 -0.031 20 0 BBADLO COC[C@@H](C)OC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000704339927 712104514 /nfs/dbraw/zinc/10/45/14/712104514.db2.gz RZTVNYFENSERDX-NXEZZACHSA-N 1 2 246.307 -0.234 20 0 BBADLO COC[C@@H](C)OC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000704339927 712104513 /nfs/dbraw/zinc/10/45/13/712104513.db2.gz RZTVNYFENSERDX-NXEZZACHSA-N 1 2 246.307 -0.234 20 0 BBADLO COC[C@H](C)OC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000704339929 712104377 /nfs/dbraw/zinc/10/43/77/712104377.db2.gz RZTVNYFENSERDX-UWVGGRQHSA-N 1 2 246.307 -0.234 20 0 BBADLO COC[C@H](C)OC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000704339929 712104374 /nfs/dbraw/zinc/10/43/74/712104374.db2.gz RZTVNYFENSERDX-UWVGGRQHSA-N 1 2 246.307 -0.234 20 0 BBADLO COC[C@H](C)OC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000704339932 712104411 /nfs/dbraw/zinc/10/44/11/712104411.db2.gz RZTVNYFENSERDX-VHSXEESVSA-N 1 2 246.307 -0.234 20 0 BBADLO COC[C@H](C)OC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000704339932 712104409 /nfs/dbraw/zinc/10/44/09/712104409.db2.gz RZTVNYFENSERDX-VHSXEESVSA-N 1 2 246.307 -0.234 20 0 BBADLO COC[C@@H](C)OC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000704339934 712104305 /nfs/dbraw/zinc/10/43/05/712104305.db2.gz RZTVNYFENSERDX-ZJUUUORDSA-N 1 2 246.307 -0.234 20 0 BBADLO COC[C@@H](C)OC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000704339934 712104302 /nfs/dbraw/zinc/10/43/02/712104302.db2.gz RZTVNYFENSERDX-ZJUUUORDSA-N 1 2 246.307 -0.234 20 0 BBADLO CCCCOC(=O)C[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000704475738 712108690 /nfs/dbraw/zinc/10/86/90/712108690.db2.gz XVDQIDQOSTVSDQ-QWRGUYRKSA-N 1 2 245.319 -0.138 20 0 BBADLO CCCCOC(=O)C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000704508835 712111356 /nfs/dbraw/zinc/11/13/56/712111356.db2.gz XVDQIDQOSTVSDQ-PHIMTYICSA-N 1 2 245.319 -0.138 20 0 BBADLO CCCCOC(=O)C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000704508835 712111353 /nfs/dbraw/zinc/11/13/53/712111353.db2.gz XVDQIDQOSTVSDQ-PHIMTYICSA-N 1 2 245.319 -0.138 20 0 BBADLO Cc1nonc1C[N@H+]1C[C@H](O)C[C@]1(C)CO ZINC000704614002 712112062 /nfs/dbraw/zinc/11/20/62/712112062.db2.gz WNLVJBGBHCPGGL-PSASIEDQSA-N 1 2 227.264 -0.304 20 0 BBADLO Cc1nonc1C[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC000704614002 712112061 /nfs/dbraw/zinc/11/20/61/712112061.db2.gz WNLVJBGBHCPGGL-PSASIEDQSA-N 1 2 227.264 -0.304 20 0 BBADLO Cc1nonc1C[N@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000704614009 712112002 /nfs/dbraw/zinc/11/20/02/712112002.db2.gz WNLVJBGBHCPGGL-SCZZXKLOSA-N 1 2 227.264 -0.304 20 0 BBADLO Cc1nonc1C[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000704614009 712112000 /nfs/dbraw/zinc/11/20/00/712112000.db2.gz WNLVJBGBHCPGGL-SCZZXKLOSA-N 1 2 227.264 -0.304 20 0 BBADLO Cc1nonc1C[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000704614012 712112083 /nfs/dbraw/zinc/11/20/83/712112083.db2.gz WNLVJBGBHCPGGL-WCBMZHEXSA-N 1 2 227.264 -0.304 20 0 BBADLO Cc1nonc1C[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000704614012 712112082 /nfs/dbraw/zinc/11/20/82/712112082.db2.gz WNLVJBGBHCPGGL-WCBMZHEXSA-N 1 2 227.264 -0.304 20 0 BBADLO Cc1nonc1C[N@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000704614014 712112241 /nfs/dbraw/zinc/11/22/41/712112241.db2.gz WNLVJBGBHCPGGL-WPRPVWTQSA-N 1 2 227.264 -0.304 20 0 BBADLO Cc1nonc1C[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000704614014 712112239 /nfs/dbraw/zinc/11/22/39/712112239.db2.gz WNLVJBGBHCPGGL-WPRPVWTQSA-N 1 2 227.264 -0.304 20 0 BBADLO CNc1cc(N2C[C@H](O)C[C@H]2CO)[nH+]cn1 ZINC000704709019 712113118 /nfs/dbraw/zinc/11/31/18/712113118.db2.gz QGNJHOUXFLQSOA-JGVFFNPUSA-N 1 2 224.264 -0.550 20 0 BBADLO CNc1cc(N2C[C@H](O)C[C@H]2CO)nc[nH+]1 ZINC000704709019 712113116 /nfs/dbraw/zinc/11/31/16/712113116.db2.gz QGNJHOUXFLQSOA-JGVFFNPUSA-N 1 2 224.264 -0.550 20 0 BBADLO CNc1cc(N2C[C@H](CO)[C@H](CO)C2)[nH+]cn1 ZINC000704781066 712116516 /nfs/dbraw/zinc/11/65/16/712116516.db2.gz LTKPUGDIQZZVRC-DTORHVGOSA-N 1 2 238.291 -0.445 20 0 BBADLO CNc1cc(N2C[C@H](CO)[C@H](CO)C2)nc[nH+]1 ZINC000704781066 712116514 /nfs/dbraw/zinc/11/65/14/712116514.db2.gz LTKPUGDIQZZVRC-DTORHVGOSA-N 1 2 238.291 -0.445 20 0 BBADLO CNc1cc(N2C[C@@H](CO)[C@H](CO)C2)[nH+]cn1 ZINC000704781068 712116080 /nfs/dbraw/zinc/11/60/80/712116080.db2.gz LTKPUGDIQZZVRC-IUCAKERBSA-N 1 2 238.291 -0.445 20 0 BBADLO CNc1cc(N2C[C@@H](CO)[C@H](CO)C2)nc[nH+]1 ZINC000704781068 712116079 /nfs/dbraw/zinc/11/60/79/712116079.db2.gz LTKPUGDIQZZVRC-IUCAKERBSA-N 1 2 238.291 -0.445 20 0 BBADLO C[N@H+]1CCN(C(=O)c2ccsn2)[C@@H](CO)C1 ZINC000705340515 712129365 /nfs/dbraw/zinc/12/93/65/712129365.db2.gz MYQBZZGBTFTBKY-MRVPVSSYSA-N 1 2 241.316 -0.108 20 0 BBADLO C[N@@H+]1CCN(C(=O)c2ccsn2)[C@@H](CO)C1 ZINC000705340515 712129364 /nfs/dbraw/zinc/12/93/64/712129364.db2.gz MYQBZZGBTFTBKY-MRVPVSSYSA-N 1 2 241.316 -0.108 20 0 BBADLO C[N@H+]1CCN(C(=O)c2ccsn2)[C@H](CO)C1 ZINC000705340516 712129458 /nfs/dbraw/zinc/12/94/58/712129458.db2.gz MYQBZZGBTFTBKY-QMMMGPOBSA-N 1 2 241.316 -0.108 20 0 BBADLO C[N@@H+]1CCN(C(=O)c2ccsn2)[C@H](CO)C1 ZINC000705340516 712129457 /nfs/dbraw/zinc/12/94/57/712129457.db2.gz MYQBZZGBTFTBKY-QMMMGPOBSA-N 1 2 241.316 -0.108 20 0 BBADLO O=C(CN1CC[NH2+]CC1=O)NCCC1CCC1 ZINC000705978593 712139380 /nfs/dbraw/zinc/13/93/80/712139380.db2.gz GNWOZZIASCHZRR-UHFFFAOYSA-N 1 2 239.319 -0.275 20 0 BBADLO CC(C)C1(O)C[NH+]([C@@H]2CCCNC2=O)C1 ZINC000706533570 712149269 /nfs/dbraw/zinc/14/92/69/712149269.db2.gz LXPLUDPSPJNSMW-SECBINFHSA-N 1 2 212.293 -0.032 20 0 BBADLO CC(C)C1(O)C[NH+]([C@H]2CCCNC2=O)C1 ZINC000706533572 712149220 /nfs/dbraw/zinc/14/92/20/712149220.db2.gz LXPLUDPSPJNSMW-VIFPVBQESA-N 1 2 212.293 -0.032 20 0 BBADLO C[C@H](C(=O)N[C@@H]1C=CCC1)N1CC[NH2+]CC1=O ZINC000706637941 712151843 /nfs/dbraw/zinc/15/18/43/712151843.db2.gz ZNLPECMAPUKUCG-NXEZZACHSA-N 1 2 237.303 -0.359 20 0 BBADLO C[C@@H](C(=O)N[C@H]1C=CCC1)N1CC[NH2+]CC1=O ZINC000706637943 712151999 /nfs/dbraw/zinc/15/19/99/712151999.db2.gz ZNLPECMAPUKUCG-UWVGGRQHSA-N 1 2 237.303 -0.359 20 0 BBADLO C[C@@H](C(=O)N[C@@H]1C=CCC1)N1CC[NH2+]CC1=O ZINC000706637945 712152161 /nfs/dbraw/zinc/15/21/61/712152161.db2.gz ZNLPECMAPUKUCG-VHSXEESVSA-N 1 2 237.303 -0.359 20 0 BBADLO C[C@H](C(=O)N[C@H]1C=CCC1)N1CC[NH2+]CC1=O ZINC000706637946 712152115 /nfs/dbraw/zinc/15/21/15/712152115.db2.gz ZNLPECMAPUKUCG-ZJUUUORDSA-N 1 2 237.303 -0.359 20 0 BBADLO O=C(CN1CC[NH2+]CC1=O)N[C@@H]1C=CCC1 ZINC000706642953 712150545 /nfs/dbraw/zinc/15/05/45/712150545.db2.gz JGUVMNSHZJMALX-SECBINFHSA-N 1 2 223.276 -0.747 20 0 BBADLO O=C(CN1CC[NH2+]CC1=O)N[C@H]1C=CCC1 ZINC000706642954 712150507 /nfs/dbraw/zinc/15/05/07/712150507.db2.gz JGUVMNSHZJMALX-VIFPVBQESA-N 1 2 223.276 -0.747 20 0 BBADLO Cn1nc(C[NH+](CCO)CCO)cc1Cl ZINC000707135693 712165581 /nfs/dbraw/zinc/16/55/81/712165581.db2.gz FTXQTTIXVVXVAK-UHFFFAOYSA-N 1 2 233.699 -0.140 20 0 BBADLO COC(OC)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000707429789 712169811 /nfs/dbraw/zinc/16/98/11/712169811.db2.gz GULYDYSHCMUJHW-UHFFFAOYSA-N 1 2 225.248 -0.115 20 0 BBADLO CNc1cc(N(C)[C@@H]2COC[C@H]2O)[nH+]cn1 ZINC000708044835 712175491 /nfs/dbraw/zinc/17/54/91/712175491.db2.gz BTFMLZTYRCLZSZ-HTQZYQBOSA-N 1 2 224.264 -0.286 20 0 BBADLO CNc1cc(N(C)[C@@H]2COC[C@H]2O)nc[nH+]1 ZINC000708044835 712175489 /nfs/dbraw/zinc/17/54/89/712175489.db2.gz BTFMLZTYRCLZSZ-HTQZYQBOSA-N 1 2 224.264 -0.286 20 0 BBADLO CC(C)(CNS(C)(=O)=O)[NH2+]Cc1c[nH]cn1 ZINC000708334516 712188168 /nfs/dbraw/zinc/18/81/68/712188168.db2.gz IFMGSOQENMLCDM-UHFFFAOYSA-N 1 2 246.336 -0.173 20 0 BBADLO CN1CC(C(=O)N2CC[NH2+]C(C)(C)C2)=NC1=O ZINC000708408207 712192452 /nfs/dbraw/zinc/19/24/52/712192452.db2.gz XOUSRYPQYHGUSH-UHFFFAOYSA-N 1 2 238.291 -0.050 20 0 BBADLO COc1cc(C[N@@H+](C)[C@@H]2COC[C@H]2O)on1 ZINC000708747131 712198171 /nfs/dbraw/zinc/19/81/71/712198171.db2.gz YZADOLWAICEYJM-RKDXNWHRSA-N 1 2 228.248 -0.125 20 0 BBADLO COc1cc(C[N@H+](C)[C@@H]2COC[C@H]2O)on1 ZINC000708747131 712198169 /nfs/dbraw/zinc/19/81/69/712198169.db2.gz YZADOLWAICEYJM-RKDXNWHRSA-N 1 2 228.248 -0.125 20 0 BBADLO Cc1cnc(C[N@H+](C)[C@@H]2COC[C@H]2O)cn1 ZINC000708748986 712198205 /nfs/dbraw/zinc/19/82/05/712198205.db2.gz MCVXDSCFSGSDRL-GHMZBOCLSA-N 1 2 223.276 -0.023 20 0 BBADLO Cc1cnc(C[N@@H+](C)[C@@H]2COC[C@H]2O)cn1 ZINC000708748986 712198204 /nfs/dbraw/zinc/19/82/04/712198204.db2.gz MCVXDSCFSGSDRL-GHMZBOCLSA-N 1 2 223.276 -0.023 20 0 BBADLO Cc1nonc1C[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709866236 712229929 /nfs/dbraw/zinc/22/99/29/712229929.db2.gz HEUQLKZNMWRPID-GXSJLCMTSA-N 1 2 241.291 -0.057 20 0 BBADLO Cc1nonc1C[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709866236 712229926 /nfs/dbraw/zinc/22/99/26/712229926.db2.gz HEUQLKZNMWRPID-GXSJLCMTSA-N 1 2 241.291 -0.057 20 0 BBADLO C[N@@H+](CCO)C[C@H]1CCCS1(=O)=O ZINC000709905936 712232186 /nfs/dbraw/zinc/23/21/86/712232186.db2.gz NGWRWTNADAYOSU-MRVPVSSYSA-N 1 2 207.295 -0.512 20 0 BBADLO C[N@H+](CCO)C[C@H]1CCCS1(=O)=O ZINC000709905936 712232182 /nfs/dbraw/zinc/23/21/82/712232182.db2.gz NGWRWTNADAYOSU-MRVPVSSYSA-N 1 2 207.295 -0.512 20 0 BBADLO C[N@@H+](CCO)C[C@@H]1CCCS1(=O)=O ZINC000709905937 712231992 /nfs/dbraw/zinc/23/19/92/712231992.db2.gz NGWRWTNADAYOSU-QMMMGPOBSA-N 1 2 207.295 -0.512 20 0 BBADLO C[N@H+](CCO)C[C@@H]1CCCS1(=O)=O ZINC000709905937 712231990 /nfs/dbraw/zinc/23/19/90/712231990.db2.gz NGWRWTNADAYOSU-QMMMGPOBSA-N 1 2 207.295 -0.512 20 0 BBADLO Cn1ccc(CC(=O)NOCC[NH+](C)C)n1 ZINC000710101969 712244801 /nfs/dbraw/zinc/24/48/01/712244801.db2.gz IQFRCPPCSWTCFW-UHFFFAOYSA-N 1 2 226.280 -0.428 20 0 BBADLO CCOC(=O)C[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000710121620 712245730 /nfs/dbraw/zinc/24/57/30/712245730.db2.gz CZALXAJOKKUJNT-VHSXEESVSA-N 1 2 231.292 -0.385 20 0 BBADLO CCOC(=O)C[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000710121620 712245728 /nfs/dbraw/zinc/24/57/28/712245728.db2.gz CZALXAJOKKUJNT-VHSXEESVSA-N 1 2 231.292 -0.385 20 0 BBADLO COC(=O)C[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000710128231 712245615 /nfs/dbraw/zinc/24/56/15/712245615.db2.gz PWSDTHYGRHEFMH-DTWKUNHWSA-N 1 2 217.265 -0.775 20 0 BBADLO COC(=O)C[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000710128231 712245613 /nfs/dbraw/zinc/24/56/13/712245613.db2.gz PWSDTHYGRHEFMH-DTWKUNHWSA-N 1 2 217.265 -0.775 20 0 BBADLO O[C@H](CNOCC1CC1)C[NH+]1CCOCC1 ZINC000711221178 712289994 /nfs/dbraw/zinc/28/99/94/712289994.db2.gz XBDQEWQHPIGMTP-LLVKDONJSA-N 1 2 230.308 -0.389 20 0 BBADLO O[C@@H](CNOCC1CC1)C[NH+]1CCOCC1 ZINC000711221180 712290005 /nfs/dbraw/zinc/29/00/05/712290005.db2.gz XBDQEWQHPIGMTP-NSHDSACASA-N 1 2 230.308 -0.389 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCOC1CC1 ZINC000711757949 712326034 /nfs/dbraw/zinc/32/60/34/712326034.db2.gz FMPFUOKQHQNDNB-PSASIEDQSA-N 1 2 229.276 -0.226 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCOC1CC1 ZINC000711757949 712326032 /nfs/dbraw/zinc/32/60/32/712326032.db2.gz FMPFUOKQHQNDNB-PSASIEDQSA-N 1 2 229.276 -0.226 20 0 BBADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCOC1CC1 ZINC000711757951 712325557 /nfs/dbraw/zinc/32/55/57/712325557.db2.gz FMPFUOKQHQNDNB-SCZZXKLOSA-N 1 2 229.276 -0.226 20 0 BBADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCOC1CC1 ZINC000711757951 712325553 /nfs/dbraw/zinc/32/55/53/712325553.db2.gz FMPFUOKQHQNDNB-SCZZXKLOSA-N 1 2 229.276 -0.226 20 0 BBADLO COC(=O)[C@H]1CCCC[N@H+]1CCn1cnnn1 ZINC000711808274 712329130 /nfs/dbraw/zinc/32/91/30/712329130.db2.gz DZJGGPJOPNAHKL-SECBINFHSA-N 1 2 239.279 -0.299 20 0 BBADLO COC(=O)[C@H]1CCCC[N@@H+]1CCn1cnnn1 ZINC000711808274 712329127 /nfs/dbraw/zinc/32/91/27/712329127.db2.gz DZJGGPJOPNAHKL-SECBINFHSA-N 1 2 239.279 -0.299 20 0 BBADLO CCOC(=O)C[N@@H+](CCn1cnnn1)C(C)C ZINC000711808877 712329475 /nfs/dbraw/zinc/32/94/75/712329475.db2.gz IRVGFGABNFLPMA-UHFFFAOYSA-N 1 2 241.295 -0.053 20 0 BBADLO CCOC(=O)C[N@H+](CCn1cnnn1)C(C)C ZINC000711808877 712329474 /nfs/dbraw/zinc/32/94/74/712329474.db2.gz IRVGFGABNFLPMA-UHFFFAOYSA-N 1 2 241.295 -0.053 20 0 BBADLO COC(=O)C[N@@H+](CCn1cnnn1)C(C)C ZINC000711809666 712329642 /nfs/dbraw/zinc/32/96/42/712329642.db2.gz LSXAZWNZAPZTDK-UHFFFAOYSA-N 1 2 227.268 -0.444 20 0 BBADLO COC(=O)C[N@H+](CCn1cnnn1)C(C)C ZINC000711809666 712329640 /nfs/dbraw/zinc/32/96/40/712329640.db2.gz LSXAZWNZAPZTDK-UHFFFAOYSA-N 1 2 227.268 -0.444 20 0 BBADLO CCC[N@@H+](CCn1cnnn1)CC(=O)OC ZINC000711810544 712329589 /nfs/dbraw/zinc/32/95/89/712329589.db2.gz OUZYDAWNJOZEKU-UHFFFAOYSA-N 1 2 227.268 -0.442 20 0 BBADLO CCC[N@H+](CCn1cnnn1)CC(=O)OC ZINC000711810544 712329587 /nfs/dbraw/zinc/32/95/87/712329587.db2.gz OUZYDAWNJOZEKU-UHFFFAOYSA-N 1 2 227.268 -0.442 20 0 BBADLO CCOC(=O)[C@H]1CCC[N@H+]1CCn1cnnn1 ZINC000711810646 712329140 /nfs/dbraw/zinc/32/91/40/712329140.db2.gz QOLQSONMXVXNGA-SECBINFHSA-N 1 2 239.279 -0.299 20 0 BBADLO CCOC(=O)[C@H]1CCC[N@@H+]1CCn1cnnn1 ZINC000711810646 712329137 /nfs/dbraw/zinc/32/91/37/712329137.db2.gz QOLQSONMXVXNGA-SECBINFHSA-N 1 2 239.279 -0.299 20 0 BBADLO COC(=O)[C@H]1CCC[N@H+]1CCn1cnnn1 ZINC000711811905 712329463 /nfs/dbraw/zinc/32/94/63/712329463.db2.gz XCHQEQTYTFQZFH-MRVPVSSYSA-N 1 2 225.252 -0.690 20 0 BBADLO COC(=O)[C@H]1CCC[N@@H+]1CCn1cnnn1 ZINC000711811905 712329462 /nfs/dbraw/zinc/32/94/62/712329462.db2.gz XCHQEQTYTFQZFH-MRVPVSSYSA-N 1 2 225.252 -0.690 20 0 BBADLO COC(=O)[C@@H]1CCC[N@H+]1CCn1cnnn1 ZINC000711811907 712329542 /nfs/dbraw/zinc/32/95/42/712329542.db2.gz XCHQEQTYTFQZFH-QMMMGPOBSA-N 1 2 225.252 -0.690 20 0 BBADLO COC(=O)[C@@H]1CCC[N@@H+]1CCn1cnnn1 ZINC000711811907 712329541 /nfs/dbraw/zinc/32/95/41/712329541.db2.gz XCHQEQTYTFQZFH-QMMMGPOBSA-N 1 2 225.252 -0.690 20 0 BBADLO CCC[N@@H+](CCn1cnnn1)CC(=O)OCC ZINC000711811917 712329433 /nfs/dbraw/zinc/32/94/33/712329433.db2.gz XLBFFOFDWJTORK-UHFFFAOYSA-N 1 2 241.295 -0.052 20 0 BBADLO CCC[N@H+](CCn1cnnn1)CC(=O)OCC ZINC000711811917 712329432 /nfs/dbraw/zinc/32/94/32/712329432.db2.gz XLBFFOFDWJTORK-UHFFFAOYSA-N 1 2 241.295 -0.052 20 0 BBADLO C[C@@H]1C[NH+](CCn2cnnn2)C[C@@H](C)C1=O ZINC000711830953 712333438 /nfs/dbraw/zinc/33/34/38/712333438.db2.gz LXJYFQGKCOZEAU-RKDXNWHRSA-N 1 2 223.280 -0.170 20 0 BBADLO C[C@@H]1C[N@@H+](CCn2cnnn2)CCC1=O ZINC000711831398 712333364 /nfs/dbraw/zinc/33/33/64/712333364.db2.gz MGWYUFJHFJJRMD-MRVPVSSYSA-N 1 2 209.253 -0.416 20 0 BBADLO C[C@@H]1C[N@H+](CCn2cnnn2)CCC1=O ZINC000711831398 712333363 /nfs/dbraw/zinc/33/33/63/712333363.db2.gz MGWYUFJHFJJRMD-MRVPVSSYSA-N 1 2 209.253 -0.416 20 0 BBADLO C[C@H]1C[N@@H+](CCn2cnnn2)CCC1=O ZINC000711831401 712333428 /nfs/dbraw/zinc/33/34/28/712333428.db2.gz MGWYUFJHFJJRMD-QMMMGPOBSA-N 1 2 209.253 -0.416 20 0 BBADLO C[C@H]1C[N@H+](CCn2cnnn2)CCC1=O ZINC000711831401 712333427 /nfs/dbraw/zinc/33/34/27/712333427.db2.gz MGWYUFJHFJJRMD-QMMMGPOBSA-N 1 2 209.253 -0.416 20 0 BBADLO C[C@H]([NH2+]CCn1cnnn1)c1csnn1 ZINC000711931336 712339187 /nfs/dbraw/zinc/33/91/87/712339187.db2.gz QOUUFELDZJJTFU-LURJTMIESA-N 1 2 225.281 -0.125 20 0 BBADLO C[C@@H]([NH2+]CCn1cnnn1)c1csnn1 ZINC000711931339 712339163 /nfs/dbraw/zinc/33/91/63/712339163.db2.gz QOUUFELDZJJTFU-ZCFIWIBFSA-N 1 2 225.281 -0.125 20 0 BBADLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1c[nH]cn1 ZINC000712296724 712394841 /nfs/dbraw/zinc/39/48/41/712394841.db2.gz DOLGCGPOEVQFCF-SSDOTTSWSA-N 1 2 230.293 -0.608 20 0 BBADLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1c[nH]cn1 ZINC000712296724 712394840 /nfs/dbraw/zinc/39/48/40/712394840.db2.gz DOLGCGPOEVQFCF-SSDOTTSWSA-N 1 2 230.293 -0.608 20 0 BBADLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1c[nH]cn1 ZINC000712296725 712395567 /nfs/dbraw/zinc/39/55/67/712395567.db2.gz DOLGCGPOEVQFCF-ZETCQYMHSA-N 1 2 230.293 -0.608 20 0 BBADLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1c[nH]cn1 ZINC000712296725 712395566 /nfs/dbraw/zinc/39/55/66/712395566.db2.gz DOLGCGPOEVQFCF-ZETCQYMHSA-N 1 2 230.293 -0.608 20 0 BBADLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1c[nH]cn1 ZINC000712296728 712395146 /nfs/dbraw/zinc/39/51/46/712395146.db2.gz DPKWOFGHVFFWKW-MRVPVSSYSA-N 1 2 244.320 -0.218 20 0 BBADLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1c[nH]cn1 ZINC000712296728 712395144 /nfs/dbraw/zinc/39/51/44/712395144.db2.gz DPKWOFGHVFFWKW-MRVPVSSYSA-N 1 2 244.320 -0.218 20 0 BBADLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1c[nH]cn1 ZINC000712296729 712394965 /nfs/dbraw/zinc/39/49/65/712394965.db2.gz DPKWOFGHVFFWKW-QMMMGPOBSA-N 1 2 244.320 -0.218 20 0 BBADLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1c[nH]cn1 ZINC000712296729 712394963 /nfs/dbraw/zinc/39/49/63/712394963.db2.gz DPKWOFGHVFFWKW-QMMMGPOBSA-N 1 2 244.320 -0.218 20 0 BBADLO CN(C)S(=O)(=O)NC[C@H]1CC[N@H+]1C ZINC000712297781 712395092 /nfs/dbraw/zinc/39/50/92/712395092.db2.gz ITUQMUCXURLDKZ-SSDOTTSWSA-N 1 2 207.299 -0.914 20 0 BBADLO CN(C)S(=O)(=O)NC[C@H]1CC[N@@H+]1C ZINC000712297781 712395091 /nfs/dbraw/zinc/39/50/91/712395091.db2.gz ITUQMUCXURLDKZ-SSDOTTSWSA-N 1 2 207.299 -0.914 20 0 BBADLO CN(C)S(=O)(=O)NC[C@@H]1CC[N@H+]1C ZINC000712297782 712395220 /nfs/dbraw/zinc/39/52/20/712395220.db2.gz ITUQMUCXURLDKZ-ZETCQYMHSA-N 1 2 207.299 -0.914 20 0 BBADLO CN(C)S(=O)(=O)NC[C@@H]1CC[N@@H+]1C ZINC000712297782 712395219 /nfs/dbraw/zinc/39/52/19/712395219.db2.gz ITUQMUCXURLDKZ-ZETCQYMHSA-N 1 2 207.299 -0.914 20 0 BBADLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ncc[nH]1 ZINC000712299517 712395556 /nfs/dbraw/zinc/39/55/56/712395556.db2.gz NTYSADYCTCHTFJ-SSDOTTSWSA-N 1 2 230.293 -0.608 20 0 BBADLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ncc[nH]1 ZINC000712299517 712395555 /nfs/dbraw/zinc/39/55/55/712395555.db2.gz NTYSADYCTCHTFJ-SSDOTTSWSA-N 1 2 230.293 -0.608 20 0 BBADLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1ncc[nH]1 ZINC000712299518 712395524 /nfs/dbraw/zinc/39/55/24/712395524.db2.gz NTYSADYCTCHTFJ-ZETCQYMHSA-N 1 2 230.293 -0.608 20 0 BBADLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ncc[nH]1 ZINC000712299518 712395523 /nfs/dbraw/zinc/39/55/23/712395523.db2.gz NTYSADYCTCHTFJ-ZETCQYMHSA-N 1 2 230.293 -0.608 20 0 BBADLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ncc[nH]1 ZINC000712300801 712395532 /nfs/dbraw/zinc/39/55/32/712395532.db2.gz UMEZMVMPKLBOGK-MRVPVSSYSA-N 1 2 244.320 -0.218 20 0 BBADLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ncc[nH]1 ZINC000712300801 712395531 /nfs/dbraw/zinc/39/55/31/712395531.db2.gz UMEZMVMPKLBOGK-MRVPVSSYSA-N 1 2 244.320 -0.218 20 0 BBADLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1ncc[nH]1 ZINC000712300804 712394947 /nfs/dbraw/zinc/39/49/47/712394947.db2.gz UMEZMVMPKLBOGK-QMMMGPOBSA-N 1 2 244.320 -0.218 20 0 BBADLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ncc[nH]1 ZINC000712300804 712394944 /nfs/dbraw/zinc/39/49/44/712394944.db2.gz UMEZMVMPKLBOGK-QMMMGPOBSA-N 1 2 244.320 -0.218 20 0 BBADLO Cc1n[nH]cc1S(=O)(=O)NC[C@H]1CC[N@@H+]1C ZINC000712302642 712394896 /nfs/dbraw/zinc/39/48/96/712394896.db2.gz YRNHDDZNRHAKJH-MRVPVSSYSA-N 1 2 244.320 -0.299 20 0 BBADLO Cc1n[nH]cc1S(=O)(=O)NC[C@H]1CC[N@H+]1C ZINC000712302642 712394894 /nfs/dbraw/zinc/39/48/94/712394894.db2.gz YRNHDDZNRHAKJH-MRVPVSSYSA-N 1 2 244.320 -0.299 20 0 BBADLO Cc1n[nH]cc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C ZINC000712302646 712395397 /nfs/dbraw/zinc/39/53/97/712395397.db2.gz YRNHDDZNRHAKJH-QMMMGPOBSA-N 1 2 244.320 -0.299 20 0 BBADLO Cc1n[nH]cc1S(=O)(=O)NC[C@@H]1CC[N@H+]1C ZINC000712302646 712395396 /nfs/dbraw/zinc/39/53/96/712395396.db2.gz YRNHDDZNRHAKJH-QMMMGPOBSA-N 1 2 244.320 -0.299 20 0 BBADLO CC[N@H+]1CC[C@@H]1CNC(=O)c1ncn[nH]1 ZINC000712309431 712395828 /nfs/dbraw/zinc/39/58/28/712395828.db2.gz DJXCJNMJKWSSRX-SSDOTTSWSA-N 1 2 209.253 -0.371 20 0 BBADLO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncn[nH]1 ZINC000712309431 712395827 /nfs/dbraw/zinc/39/58/27/712395827.db2.gz DJXCJNMJKWSSRX-SSDOTTSWSA-N 1 2 209.253 -0.371 20 0 BBADLO CC[N@H+]1CC[C@H]1CNC(=O)c1ncn[nH]1 ZINC000712309436 712396270 /nfs/dbraw/zinc/39/62/70/712396270.db2.gz DJXCJNMJKWSSRX-ZETCQYMHSA-N 1 2 209.253 -0.371 20 0 BBADLO CC[N@@H+]1CC[C@H]1CNC(=O)c1ncn[nH]1 ZINC000712309436 712396269 /nfs/dbraw/zinc/39/62/69/712396269.db2.gz DJXCJNMJKWSSRX-ZETCQYMHSA-N 1 2 209.253 -0.371 20 0 BBADLO CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn[nH]1 ZINC000712313622 712396084 /nfs/dbraw/zinc/39/60/84/712396084.db2.gz IZDSXLYXIHPTFJ-SSDOTTSWSA-N 1 2 209.253 -0.371 20 0 BBADLO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn[nH]1 ZINC000712313622 712396082 /nfs/dbraw/zinc/39/60/82/712396082.db2.gz IZDSXLYXIHPTFJ-SSDOTTSWSA-N 1 2 209.253 -0.371 20 0 BBADLO CC[N@H+]1CC[C@@H]1CNC(=O)c1cn[nH]n1 ZINC000712313622 712396080 /nfs/dbraw/zinc/39/60/80/712396080.db2.gz IZDSXLYXIHPTFJ-SSDOTTSWSA-N 1 2 209.253 -0.371 20 0 BBADLO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn[nH]n1 ZINC000712313622 712396078 /nfs/dbraw/zinc/39/60/78/712396078.db2.gz IZDSXLYXIHPTFJ-SSDOTTSWSA-N 1 2 209.253 -0.371 20 0 BBADLO CC[N@H+]1CC[C@H]1CNC(=O)c1cnn[nH]1 ZINC000712313625 712396251 /nfs/dbraw/zinc/39/62/51/712396251.db2.gz IZDSXLYXIHPTFJ-ZETCQYMHSA-N 1 2 209.253 -0.371 20 0 BBADLO CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn[nH]1 ZINC000712313625 712396250 /nfs/dbraw/zinc/39/62/50/712396250.db2.gz IZDSXLYXIHPTFJ-ZETCQYMHSA-N 1 2 209.253 -0.371 20 0 BBADLO CC[N@H+]1CC[C@H]1CNC(=O)c1cn[nH]n1 ZINC000712313625 712396249 /nfs/dbraw/zinc/39/62/49/712396249.db2.gz IZDSXLYXIHPTFJ-ZETCQYMHSA-N 1 2 209.253 -0.371 20 0 BBADLO CC[N@@H+]1CC[C@H]1CNC(=O)c1cn[nH]n1 ZINC000712313625 712396248 /nfs/dbraw/zinc/39/62/48/712396248.db2.gz IZDSXLYXIHPTFJ-ZETCQYMHSA-N 1 2 209.253 -0.371 20 0 BBADLO NS(=O)(=O)C1(CNc2cc[nH+]cc2F)CC1 ZINC000713974355 712475685 /nfs/dbraw/zinc/47/56/85/712475685.db2.gz HWAQQWNIKFYJKB-UHFFFAOYSA-N 1 2 245.279 -0.124 20 0 BBADLO Cn1ncc(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)n1 ZINC000714245614 712480383 /nfs/dbraw/zinc/48/03/83/712480383.db2.gz UCGJXVFWPMDHCU-XWEPSHTISA-N 1 2 244.320 -0.520 20 0 BBADLO COC(=O)C1(O)C[NH+](C[C@@]2(OC)CCOC2)C1 ZINC000714413039 712485452 /nfs/dbraw/zinc/48/54/52/712485452.db2.gz ZLCZWOOSTCYTQU-JTQLQIEISA-N 1 2 245.275 -0.988 20 0 BBADLO COC(=O)C1(O)C[NH+](C[C@]2(OC)CCOC2)C1 ZINC000714413046 712485690 /nfs/dbraw/zinc/48/56/90/712485690.db2.gz ZLCZWOOSTCYTQU-SNVBAGLBSA-N 1 2 245.275 -0.988 20 0 BBADLO CCCn1cc(C[NH2+][C@@]2(CO)CCOC2)nn1 ZINC000714413516 712485492 /nfs/dbraw/zinc/48/54/92/712485492.db2.gz AINZOEMWQZFAHN-LLVKDONJSA-N 1 2 240.307 -0.071 20 0 BBADLO CCCn1cc(C[NH2+][C@]2(CO)CCOC2)nn1 ZINC000714413518 712485623 /nfs/dbraw/zinc/48/56/23/712485623.db2.gz AINZOEMWQZFAHN-NSHDSACASA-N 1 2 240.307 -0.071 20 0 BBADLO COC(=O)C1(O)C[NH+](CC2(O)CCC2)C1 ZINC000714418970 712486146 /nfs/dbraw/zinc/48/61/46/712486146.db2.gz CCXAPWPXVGIUJL-UHFFFAOYSA-N 1 2 215.249 -0.879 20 0 BBADLO COC(=O)C1(O)C[NH+](CC2(O)CCCC2)C1 ZINC000714419356 712485943 /nfs/dbraw/zinc/48/59/43/712485943.db2.gz DTHACNFDGRFPGG-UHFFFAOYSA-N 1 2 229.276 -0.489 20 0 BBADLO COC(=O)C1(O)CN(c2cc[nH+]cc2F)C1 ZINC000714422217 712485953 /nfs/dbraw/zinc/48/59/53/712485953.db2.gz WHZNVYDNOZAWGO-UHFFFAOYSA-N 1 2 226.207 -0.055 20 0 BBADLO CCCn1cc(C[NH2+][C@@H]2COC[C@H]2O)nn1 ZINC000714427564 712486311 /nfs/dbraw/zinc/48/63/11/712486311.db2.gz KRIDZQSYBUGDLQ-NXEZZACHSA-N 1 2 226.280 -0.463 20 0 BBADLO CCCn1cc(C[NH2+][C@@H]2COC[C@@H]2O)nn1 ZINC000714427568 712486199 /nfs/dbraw/zinc/48/61/99/712486199.db2.gz KRIDZQSYBUGDLQ-ZJUUUORDSA-N 1 2 226.280 -0.463 20 0 BBADLO COC(=O)C1(O)C[NH+](C[C@H]2CCCOC2)C1 ZINC000714439752 711505866 /nfs/dbraw/zinc/50/58/66/711505866.db2.gz QTNPFLWJNDYIKE-SECBINFHSA-N 1 2 229.276 -0.367 20 0 BBADLO COC(=O)C1(O)C[NH+](C[C@@H]2CCCOC2)C1 ZINC000714439760 712488556 /nfs/dbraw/zinc/48/85/56/712488556.db2.gz QTNPFLWJNDYIKE-VIFPVBQESA-N 1 2 229.276 -0.367 20 0 BBADLO COC(=O)C1(O)CN(c2cc[nH+]c(C)n2)C1 ZINC000714440207 711505773 /nfs/dbraw/zinc/50/57/73/711505773.db2.gz DECAMHHNHACBDM-UHFFFAOYSA-N 1 2 223.232 -0.491 20 0 BBADLO CCCn1cc(C[NH2+][C@H](C)C(N)=O)nn1 ZINC000714448141 712489736 /nfs/dbraw/zinc/48/97/36/712489736.db2.gz RBWHZLKQEGLHGO-SSDOTTSWSA-N 1 2 211.269 -0.349 20 0 BBADLO CCn1c[nH+]cc1CN1CC(O)(C(=O)OC)C1 ZINC000714450377 712490296 /nfs/dbraw/zinc/49/02/96/712490296.db2.gz LUZDRISJNXRAFD-UHFFFAOYSA-N 1 2 239.275 -0.377 20 0 BBADLO COC(=O)C1(O)C[NH+](CC2(O)CCCCC2)C1 ZINC000714462805 712490631 /nfs/dbraw/zinc/49/06/31/712490631.db2.gz RCYFDHDDTJIVRG-UHFFFAOYSA-N 1 2 243.303 -0.099 20 0 BBADLO CCCn1cc(C[NH2+]CC(=O)N(C)C)nn1 ZINC000714489293 712492357 /nfs/dbraw/zinc/49/23/57/712492357.db2.gz SYAFMKXEWGQUOW-UHFFFAOYSA-N 1 2 225.296 -0.134 20 0 BBADLO COC(=O)C1(O)CN(Cc2c[nH+]cn2C)C1 ZINC000714494823 712492382 /nfs/dbraw/zinc/49/23/82/712492382.db2.gz VTWFFFJPNCLGQC-UHFFFAOYSA-N 1 2 225.248 -0.860 20 0 BBADLO CCCn1cc(C[NH2+]CC(=O)NCC)nn1 ZINC000714495397 712492233 /nfs/dbraw/zinc/49/22/33/712492233.db2.gz AKWAFTHYAZSQOL-UHFFFAOYSA-N 1 2 225.296 -0.086 20 0 BBADLO CCCn1cc(C[NH2+][C@@H](CO)COC)nn1 ZINC000714507090 712492851 /nfs/dbraw/zinc/49/28/51/712492851.db2.gz INDQDHGIIOUNHV-JTQLQIEISA-N 1 2 228.296 -0.215 20 0 BBADLO CCCn1cc(C[NH2+][C@H](CO)COC)nn1 ZINC000714507091 712492840 /nfs/dbraw/zinc/49/28/40/712492840.db2.gz INDQDHGIIOUNHV-SNVBAGLBSA-N 1 2 228.296 -0.215 20 0 BBADLO COCC(C)(C)C[NH+]1CC(O)(C(=O)OC)C1 ZINC000714507849 712493177 /nfs/dbraw/zinc/49/31/77/712493177.db2.gz RPGMCYLQXXAKSX-UHFFFAOYSA-N 1 2 231.292 -0.121 20 0 BBADLO COC(=O)C1(O)C[NH+](CC[C@@H]2CCOC2)C1 ZINC000714508106 712493058 /nfs/dbraw/zinc/49/30/58/712493058.db2.gz SMQSRJOPAYAURA-SECBINFHSA-N 1 2 229.276 -0.367 20 0 BBADLO COC(=O)C1(O)C[NH+](CC[C@H]2CCOC2)C1 ZINC000714508107 712492919 /nfs/dbraw/zinc/49/29/19/712492919.db2.gz SMQSRJOPAYAURA-VIFPVBQESA-N 1 2 229.276 -0.367 20 0 BBADLO COC(=O)C1(O)C[NH+](C[C@@H](OC)C2CC2)C1 ZINC000714515909 712493578 /nfs/dbraw/zinc/49/35/78/712493578.db2.gz YTNSDGPUWWDYDQ-SECBINFHSA-N 1 2 229.276 -0.369 20 0 BBADLO COC(=O)C1(O)C[NH+](C[C@H](OC)C2CC2)C1 ZINC000714515910 712493728 /nfs/dbraw/zinc/49/37/28/712493728.db2.gz YTNSDGPUWWDYDQ-VIFPVBQESA-N 1 2 229.276 -0.369 20 0 BBADLO CC[C@@H]([NH2+]Cc1cn(CC)nn1)C(=O)NC ZINC000714853241 712502019 /nfs/dbraw/zinc/50/20/19/712502019.db2.gz FUXAZXJSJOXWJZ-SECBINFHSA-N 1 2 225.296 -0.088 20 0 BBADLO CC[C@H]([NH2+]Cc1cn(CC)nn1)C(=O)NC ZINC000714853244 712501722 /nfs/dbraw/zinc/50/17/22/712501722.db2.gz FUXAZXJSJOXWJZ-VIFPVBQESA-N 1 2 225.296 -0.088 20 0 BBADLO CCn1cc(C[NH2+][C@@H]2CC(=O)N(C)C2)nn1 ZINC000714881569 712499125 /nfs/dbraw/zinc/49/91/25/712499125.db2.gz RRJCZRXFPPKPBS-MRVPVSSYSA-N 1 2 223.280 -0.382 20 0 BBADLO CCn1cc(C[NH2+][C@H]2CC(=O)N(C)C2)nn1 ZINC000714881571 712498810 /nfs/dbraw/zinc/49/88/10/712498810.db2.gz RRJCZRXFPPKPBS-QMMMGPOBSA-N 1 2 223.280 -0.382 20 0 BBADLO CCn1cc(C[NH2+]CC(=O)NCC(F)F)nn1 ZINC000714903263 712499008 /nfs/dbraw/zinc/49/90/08/712499008.db2.gz XMWRLPAFKLULHE-UHFFFAOYSA-N 1 2 247.249 -0.231 20 0 BBADLO Cc1cn[nH]c1CN1CC[N@H+](C)[C@H](CO)C1 ZINC000715380341 712521678 /nfs/dbraw/zinc/52/16/78/712521678.db2.gz CWTUFIWJVIGWOK-JTQLQIEISA-N 1 2 224.308 -0.174 20 0 BBADLO Cc1cn[nH]c1CN1CC[N@@H+](C)[C@H](CO)C1 ZINC000715380341 712521677 /nfs/dbraw/zinc/52/16/77/712521677.db2.gz CWTUFIWJVIGWOK-JTQLQIEISA-N 1 2 224.308 -0.174 20 0 BBADLO Cc1cn[nH]c1CN1CC[N@H+](C)[C@@H](CO)C1 ZINC000715380345 712521925 /nfs/dbraw/zinc/52/19/25/712521925.db2.gz CWTUFIWJVIGWOK-SNVBAGLBSA-N 1 2 224.308 -0.174 20 0 BBADLO Cc1cn[nH]c1CN1CC[N@@H+](C)[C@@H](CO)C1 ZINC000715380345 712521924 /nfs/dbraw/zinc/52/19/24/712521924.db2.gz CWTUFIWJVIGWOK-SNVBAGLBSA-N 1 2 224.308 -0.174 20 0 BBADLO CO[C@@H]1C[N@@H+](Cc2[nH]ncc2C)C[C@H]1O ZINC000715385245 712522279 /nfs/dbraw/zinc/52/22/79/712522279.db2.gz WMLZMMAOSYTWCN-NXEZZACHSA-N 1 2 211.265 -0.090 20 0 BBADLO CO[C@@H]1C[N@H+](Cc2[nH]ncc2C)C[C@H]1O ZINC000715385245 712522278 /nfs/dbraw/zinc/52/22/78/712522278.db2.gz WMLZMMAOSYTWCN-NXEZZACHSA-N 1 2 211.265 -0.090 20 0 BBADLO CO[C@@H]1C[N@@H+](Cc2n[nH]cc2C)C[C@H]1O ZINC000715385245 712522276 /nfs/dbraw/zinc/52/22/76/712522276.db2.gz WMLZMMAOSYTWCN-NXEZZACHSA-N 1 2 211.265 -0.090 20 0 BBADLO CO[C@@H]1C[N@H+](Cc2n[nH]cc2C)C[C@H]1O ZINC000715385245 712522275 /nfs/dbraw/zinc/52/22/75/712522275.db2.gz WMLZMMAOSYTWCN-NXEZZACHSA-N 1 2 211.265 -0.090 20 0 BBADLO Cc1cn[nH]c1C[N@H+](CCO)C[C@@H](C)O ZINC000715404147 712517272 /nfs/dbraw/zinc/51/72/72/712517272.db2.gz FFQBYAZDNYBWHN-SECBINFHSA-N 1 2 213.281 -0.107 20 0 BBADLO Cc1cn[nH]c1C[N@@H+](CCO)C[C@@H](C)O ZINC000715404147 712517270 /nfs/dbraw/zinc/51/72/70/712517270.db2.gz FFQBYAZDNYBWHN-SECBINFHSA-N 1 2 213.281 -0.107 20 0 BBADLO Cc1cn[nH]c1C[N@H+](CCO)C[C@H](C)O ZINC000715404149 712517302 /nfs/dbraw/zinc/51/73/02/712517302.db2.gz FFQBYAZDNYBWHN-VIFPVBQESA-N 1 2 213.281 -0.107 20 0 BBADLO Cc1cn[nH]c1C[N@@H+](CCO)C[C@H](C)O ZINC000715404149 712517300 /nfs/dbraw/zinc/51/73/00/712517300.db2.gz FFQBYAZDNYBWHN-VIFPVBQESA-N 1 2 213.281 -0.107 20 0 BBADLO O=C(NC12CC[NH+](CC1)C2)c1nc[nH]n1 ZINC000715575579 712529251 /nfs/dbraw/zinc/52/92/51/712529251.db2.gz LMHIFIGJFVRLEB-UHFFFAOYSA-N 1 2 207.237 -0.617 20 0 BBADLO O=C(NC12CC[NH+](CC1)C2)c1ncn[nH]1 ZINC000715575579 712529249 /nfs/dbraw/zinc/52/92/49/712529249.db2.gz LMHIFIGJFVRLEB-UHFFFAOYSA-N 1 2 207.237 -0.617 20 0 BBADLO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1cn(C)nn1 ZINC000715849683 712536062 /nfs/dbraw/zinc/53/60/62/712536062.db2.gz GMCOKEQOTRMTRI-MRVPVSSYSA-N 1 2 237.307 -0.008 20 0 BBADLO C[C@H]([NH2+]CC(=O)NCC1CC1)c1cn(C)nn1 ZINC000715849686 712535825 /nfs/dbraw/zinc/53/58/25/712535825.db2.gz GMCOKEQOTRMTRI-QMMMGPOBSA-N 1 2 237.307 -0.008 20 0 BBADLO CCN(C)C(=O)C[NH2+][C@H](C)c1cn(C)nn1 ZINC000715876189 712538695 /nfs/dbraw/zinc/53/86/95/712538695.db2.gz GJJMFNYDDHZKOK-MRVPVSSYSA-N 1 2 225.296 -0.056 20 0 BBADLO CCN(C)C(=O)C[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715876190 712538793 /nfs/dbraw/zinc/53/87/93/712538793.db2.gz GJJMFNYDDHZKOK-QMMMGPOBSA-N 1 2 225.296 -0.056 20 0 BBADLO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cn(C)nn1 ZINC000715877162 712538646 /nfs/dbraw/zinc/53/86/46/712538646.db2.gz MUHAZTOCLCELJR-HTQZYQBOSA-N 1 2 225.296 -0.010 20 0 BBADLO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715877164 712538844 /nfs/dbraw/zinc/53/88/44/712538844.db2.gz MUHAZTOCLCELJR-JGVFFNPUSA-N 1 2 225.296 -0.010 20 0 BBADLO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cn(C)nn1 ZINC000715877165 712538385 /nfs/dbraw/zinc/53/83/85/712538385.db2.gz MUHAZTOCLCELJR-SFYZADRCSA-N 1 2 225.296 -0.010 20 0 BBADLO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715877166 712538305 /nfs/dbraw/zinc/53/83/05/712538305.db2.gz MUHAZTOCLCELJR-YUMQZZPRSA-N 1 2 225.296 -0.010 20 0 BBADLO CCCNC(=O)C[NH2+][C@H](C)c1cn(C)nn1 ZINC000715879104 712539320 /nfs/dbraw/zinc/53/93/20/712539320.db2.gz SFOBMEPSPDYJMT-MRVPVSSYSA-N 1 2 225.296 -0.008 20 0 BBADLO CCCNC(=O)C[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715879107 712539342 /nfs/dbraw/zinc/53/93/42/712539342.db2.gz SFOBMEPSPDYJMT-QMMMGPOBSA-N 1 2 225.296 -0.008 20 0 BBADLO CC(C)NC(=O)C[NH2+][C@H](C)c1cn(C)nn1 ZINC000715881847 712539005 /nfs/dbraw/zinc/53/90/05/712539005.db2.gz YREPPYUCVGPJIE-MRVPVSSYSA-N 1 2 225.296 -0.010 20 0 BBADLO CC(C)NC(=O)C[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715881848 712539298 /nfs/dbraw/zinc/53/92/98/712539298.db2.gz YREPPYUCVGPJIE-QMMMGPOBSA-N 1 2 225.296 -0.010 20 0 BBADLO CC[C@@H]([NH2+][C@H](C)c1cn(C)nn1)C(=O)NC ZINC000715920877 712542480 /nfs/dbraw/zinc/54/24/80/712542480.db2.gz KAGUDIQDJBAVFQ-HTQZYQBOSA-N 1 2 225.296 -0.010 20 0 BBADLO CC[C@@H]([NH2+][C@@H](C)c1cn(C)nn1)C(=O)NC ZINC000715920879 712542839 /nfs/dbraw/zinc/54/28/39/712542839.db2.gz KAGUDIQDJBAVFQ-JGVFFNPUSA-N 1 2 225.296 -0.010 20 0 BBADLO CC[C@H]([NH2+][C@H](C)c1cn(C)nn1)C(=O)NC ZINC000715920880 712542758 /nfs/dbraw/zinc/54/27/58/712542758.db2.gz KAGUDIQDJBAVFQ-SFYZADRCSA-N 1 2 225.296 -0.010 20 0 BBADLO CC[C@H]([NH2+][C@@H](C)c1cn(C)nn1)C(=O)NC ZINC000715920883 712542719 /nfs/dbraw/zinc/54/27/19/712542719.db2.gz KAGUDIQDJBAVFQ-YUMQZZPRSA-N 1 2 225.296 -0.010 20 0 BBADLO CS(=O)(=O)C1CC([NH2+]Cc2cnn[nH]2)C1 ZINC000716075342 712549614 /nfs/dbraw/zinc/54/96/14/712549614.db2.gz IXCSEDKEZJHNEJ-UHFFFAOYSA-N 1 2 230.293 -0.530 20 0 BBADLO Cn1ncc(C[NH2+]C2CC(S(C)(=O)=O)C2)n1 ZINC000716123597 712550563 /nfs/dbraw/zinc/55/05/63/712550563.db2.gz UCGJXVFWPMDHCU-UHFFFAOYSA-N 1 2 244.320 -0.520 20 0 BBADLO Cn1ncc(C[NH2+]CC2OCCCO2)n1 ZINC000716380639 712557452 /nfs/dbraw/zinc/55/74/52/712557452.db2.gz TVQKVVNFPFBWKB-UHFFFAOYSA-N 1 2 212.253 -0.332 20 0 BBADLO Cn1ncnc1C[NH2+][C@H]1CC(=O)N(CC2CC2)C1 ZINC000716757826 712572544 /nfs/dbraw/zinc/57/25/44/712572544.db2.gz AUDGXCBPLYFYLO-JTQLQIEISA-N 1 2 249.318 -0.084 20 0 BBADLO Cn1ncnc1C[NH2+][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000716757833 712572618 /nfs/dbraw/zinc/57/26/18/712572618.db2.gz AUDGXCBPLYFYLO-SNVBAGLBSA-N 1 2 249.318 -0.084 20 0 BBADLO Cn1ncc(C[NH2+][C@H]2CC(=O)N(CC3CC3)C2)n1 ZINC000716804002 712575489 /nfs/dbraw/zinc/57/54/89/712575489.db2.gz HXFMFQHNGIJLHU-JTQLQIEISA-N 1 2 249.318 -0.084 20 0 BBADLO Cn1ncc(C[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)n1 ZINC000716804008 712575426 /nfs/dbraw/zinc/57/54/26/712575426.db2.gz HXFMFQHNGIJLHU-SNVBAGLBSA-N 1 2 249.318 -0.084 20 0 BBADLO COC[C@@](C)(CO)[NH2+]Cc1nonc1C ZINC000716856044 712578758 /nfs/dbraw/zinc/57/87/58/712578758.db2.gz ZGPYGNAJVGTHRF-SECBINFHSA-N 1 2 215.253 -0.135 20 0 BBADLO COC[C@](C)(CO)[NH2+]Cc1nonc1C ZINC000716856046 712578799 /nfs/dbraw/zinc/57/87/99/712578799.db2.gz ZGPYGNAJVGTHRF-VIFPVBQESA-N 1 2 215.253 -0.135 20 0 BBADLO Cc1cnc(C[NH2+]C[C@@H](O)[C@@H](C)O)o1 ZINC000717267490 712641849 /nfs/dbraw/zinc/64/18/49/712641849.db2.gz GSLRKKVQIUVLKJ-HTQZYQBOSA-N 1 2 200.238 -0.186 20 0 BBADLO Cc1cnc(C[NH2+]C[C@@H](O)[C@H](C)O)o1 ZINC000717267492 712641611 /nfs/dbraw/zinc/64/16/11/712641611.db2.gz GSLRKKVQIUVLKJ-JGVFFNPUSA-N 1 2 200.238 -0.186 20 0 BBADLO Cc1cnc(C[NH2+]C[C@H](O)[C@@H](C)O)o1 ZINC000717267493 712641683 /nfs/dbraw/zinc/64/16/83/712641683.db2.gz GSLRKKVQIUVLKJ-SFYZADRCSA-N 1 2 200.238 -0.186 20 0 BBADLO Cc1cnc(C[NH2+]C[C@H](O)[C@H](C)O)o1 ZINC000717267494 712641751 /nfs/dbraw/zinc/64/17/51/712641751.db2.gz GSLRKKVQIUVLKJ-YUMQZZPRSA-N 1 2 200.238 -0.186 20 0 BBADLO C[C@@H](O)[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC000717304922 712645963 /nfs/dbraw/zinc/64/59/63/712645963.db2.gz OBPYDOPWACARRG-BDAKNGLRSA-N 1 2 227.264 -0.869 20 0 BBADLO C[C@H](O)[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC000717304924 712645984 /nfs/dbraw/zinc/64/59/84/712645984.db2.gz OBPYDOPWACARRG-DTWKUNHWSA-N 1 2 227.264 -0.869 20 0 BBADLO C[C@H](O)[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC000717304925 712646034 /nfs/dbraw/zinc/64/60/34/712646034.db2.gz OBPYDOPWACARRG-IUCAKERBSA-N 1 2 227.264 -0.869 20 0 BBADLO C[C@@H](O)[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC000717304927 712645986 /nfs/dbraw/zinc/64/59/86/712645986.db2.gz OBPYDOPWACARRG-RKDXNWHRSA-N 1 2 227.264 -0.869 20 0 BBADLO CNc1cc(NC[C@H](O)[C@H](C)O)[nH+]cn1 ZINC000717318112 712646544 /nfs/dbraw/zinc/64/65/44/712646544.db2.gz PECZQLKPTHPTMK-BQBZGAKWSA-N 1 2 212.253 -0.328 20 0 BBADLO CNc1cc(NC[C@@H](O)[C@H](C)O)[nH+]cn1 ZINC000717318113 712646775 /nfs/dbraw/zinc/64/67/75/712646775.db2.gz PECZQLKPTHPTMK-NKWVEPMBSA-N 1 2 212.253 -0.328 20 0 BBADLO CNc1cc(NC[C@@H](O)[C@@H](C)O)[nH+]cn1 ZINC000717318114 712646724 /nfs/dbraw/zinc/64/67/24/712646724.db2.gz PECZQLKPTHPTMK-RNFRBKRXSA-N 1 2 212.253 -0.328 20 0 BBADLO CNc1cc(NC[C@H](O)[C@@H](C)O)[nH+]cn1 ZINC000717318115 712646677 /nfs/dbraw/zinc/64/66/77/712646677.db2.gz PECZQLKPTHPTMK-RQJHMYQMSA-N 1 2 212.253 -0.328 20 0 BBADLO CC1(CNC(=O)Cn2cc[nH+]c2)OCCO1 ZINC000717327196 712648976 /nfs/dbraw/zinc/64/89/76/712648976.db2.gz NQVGJOLQOQYBOL-UHFFFAOYSA-N 1 2 225.248 -0.238 20 0 BBADLO C[C@@H](O)[C@H](O)CNc1cc[nH+]cc1F ZINC000717330689 712649040 /nfs/dbraw/zinc/64/90/40/712649040.db2.gz JVDGRWCHTNFZJT-HZGVNTEJSA-N 1 2 200.213 -0.204 20 0 BBADLO C[C@H](O)[C@H](O)CNc1cc[nH+]cc1F ZINC000717330690 712648962 /nfs/dbraw/zinc/64/89/62/712648962.db2.gz JVDGRWCHTNFZJT-IMTBSYHQSA-N 1 2 200.213 -0.204 20 0 BBADLO C[C@@H](O)[C@@H](O)CNc1cc[nH+]cc1F ZINC000717330692 712648945 /nfs/dbraw/zinc/64/89/45/712648945.db2.gz JVDGRWCHTNFZJT-MUWHJKNJSA-N 1 2 200.213 -0.204 20 0 BBADLO C[C@H](O)[C@@H](O)CNc1cc[nH+]cc1F ZINC000717330694 712648872 /nfs/dbraw/zinc/64/88/72/712648872.db2.gz JVDGRWCHTNFZJT-RCOVLWMOSA-N 1 2 200.213 -0.204 20 0 BBADLO C[C@@H](O)[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC000717417140 712656617 /nfs/dbraw/zinc/65/66/17/712656617.db2.gz VFRZAZTVNVQLPB-HTRCEHHLSA-N 1 2 237.263 -0.483 20 0 BBADLO C[C@H](O)[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC000717417142 712656705 /nfs/dbraw/zinc/65/67/05/712656705.db2.gz VFRZAZTVNVQLPB-POYBYMJQSA-N 1 2 237.263 -0.483 20 0 BBADLO C[C@@H](O)[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC000717417143 712656791 /nfs/dbraw/zinc/65/67/91/712656791.db2.gz VFRZAZTVNVQLPB-SVRRBLITSA-N 1 2 237.263 -0.483 20 0 BBADLO C[C@H](O)[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC000717417144 712656881 /nfs/dbraw/zinc/65/68/81/712656881.db2.gz VFRZAZTVNVQLPB-XPUUQOCRSA-N 1 2 237.263 -0.483 20 0 BBADLO C[N@H+]1CCN(C(=O)COC2CC2)C[C@@H]1CO ZINC000717701483 711610165 /nfs/dbraw/zinc/61/01/65/711610165.db2.gz HMIGPXQGRBNSAP-SECBINFHSA-N 1 2 228.292 -0.700 20 0 BBADLO C[N@@H+]1CCN(C(=O)COC2CC2)C[C@@H]1CO ZINC000717701483 711610163 /nfs/dbraw/zinc/61/01/63/711610163.db2.gz HMIGPXQGRBNSAP-SECBINFHSA-N 1 2 228.292 -0.700 20 0 BBADLO C[N@H+]1CCN(C(=O)COC2CC2)[C@@H](CO)C1 ZINC000717725516 712667430 /nfs/dbraw/zinc/66/74/30/712667430.db2.gz XXYXDDSIWFKACR-SECBINFHSA-N 1 2 228.292 -0.700 20 0 BBADLO C[N@@H+]1CCN(C(=O)COC2CC2)[C@@H](CO)C1 ZINC000717725516 712667428 /nfs/dbraw/zinc/66/74/28/712667428.db2.gz XXYXDDSIWFKACR-SECBINFHSA-N 1 2 228.292 -0.700 20 0 BBADLO C[N@H+]1CCN(C(=O)COC2CC2)[C@H](CO)C1 ZINC000717725518 712667330 /nfs/dbraw/zinc/66/73/30/712667330.db2.gz XXYXDDSIWFKACR-VIFPVBQESA-N 1 2 228.292 -0.700 20 0 BBADLO C[N@@H+]1CCN(C(=O)COC2CC2)[C@H](CO)C1 ZINC000717725518 712667328 /nfs/dbraw/zinc/66/73/28/712667328.db2.gz XXYXDDSIWFKACR-VIFPVBQESA-N 1 2 228.292 -0.700 20 0 BBADLO C[C@H]1CO[C@@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000718403787 712758946 /nfs/dbraw/zinc/75/89/46/712758946.db2.gz KCURZXFCHQGWGZ-GHMZBOCLSA-N 1 2 242.319 -0.452 20 0 BBADLO C[C@H]1CO[C@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000718403789 712758864 /nfs/dbraw/zinc/75/88/64/712758864.db2.gz KCURZXFCHQGWGZ-MNOVXSKESA-N 1 2 242.319 -0.452 20 0 BBADLO C[C@@H]1CO[C@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000718403790 712759122 /nfs/dbraw/zinc/75/91/22/712759122.db2.gz KCURZXFCHQGWGZ-QWRGUYRKSA-N 1 2 242.319 -0.452 20 0 BBADLO C[C@@H]1CO[C@@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000718403792 712759067 /nfs/dbraw/zinc/75/90/67/712759067.db2.gz KCURZXFCHQGWGZ-WDEREUQCSA-N 1 2 242.319 -0.452 20 0 BBADLO C[N@H+]1CCN(C(=O)C2CSC2)C[C@@H]1CO ZINC000718431307 712761165 /nfs/dbraw/zinc/76/11/65/712761165.db2.gz JJYNXDVHWXCISF-SECBINFHSA-N 1 2 230.333 -0.516 20 0 BBADLO C[N@@H+]1CCN(C(=O)C2CSC2)C[C@@H]1CO ZINC000718431307 712761163 /nfs/dbraw/zinc/76/11/63/712761163.db2.gz JJYNXDVHWXCISF-SECBINFHSA-N 1 2 230.333 -0.516 20 0 BBADLO C[N@H+]1CCN(C(=O)C2CSC2)C[C@H]1CO ZINC000718431309 712760905 /nfs/dbraw/zinc/76/09/05/712760905.db2.gz JJYNXDVHWXCISF-VIFPVBQESA-N 1 2 230.333 -0.516 20 0 BBADLO C[N@@H+]1CCN(C(=O)C2CSC2)C[C@H]1CO ZINC000718431309 712760904 /nfs/dbraw/zinc/76/09/04/712760904.db2.gz JJYNXDVHWXCISF-VIFPVBQESA-N 1 2 230.333 -0.516 20 0 BBADLO C[C@@H]1CO[C@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)C1 ZINC000718453161 712763040 /nfs/dbraw/zinc/76/30/40/712763040.db2.gz BFPFKTACUADJQO-AXFHLTTASA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1CO[C@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)C1 ZINC000718453161 712763038 /nfs/dbraw/zinc/76/30/38/712763038.db2.gz BFPFKTACUADJQO-AXFHLTTASA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1CO[C@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)C1 ZINC000718453164 712763150 /nfs/dbraw/zinc/76/31/50/712763150.db2.gz BFPFKTACUADJQO-DCAQKATOSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1CO[C@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)C1 ZINC000718453164 712763148 /nfs/dbraw/zinc/76/31/48/712763148.db2.gz BFPFKTACUADJQO-DCAQKATOSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1CO[C@@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)C1 ZINC000718453168 712763273 /nfs/dbraw/zinc/76/32/73/712763273.db2.gz BFPFKTACUADJQO-GARJFASQSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1CO[C@@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)C1 ZINC000718453168 712763272 /nfs/dbraw/zinc/76/32/72/712763272.db2.gz BFPFKTACUADJQO-GARJFASQSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1CO[C@@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)C1 ZINC000718453169 712763192 /nfs/dbraw/zinc/76/31/92/712763192.db2.gz BFPFKTACUADJQO-HBNTYKKESA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1CO[C@@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)C1 ZINC000718453169 712763191 /nfs/dbraw/zinc/76/31/91/712763191.db2.gz BFPFKTACUADJQO-HBNTYKKESA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1CO[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2CO)C1 ZINC000718477728 712766332 /nfs/dbraw/zinc/76/63/32/712766332.db2.gz ZOACWGCDNQGBQF-AXFHLTTASA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1CO[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2CO)C1 ZINC000718477728 712766331 /nfs/dbraw/zinc/76/63/31/712766331.db2.gz ZOACWGCDNQGBQF-AXFHLTTASA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1CO[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2CO)C1 ZINC000718477734 712766550 /nfs/dbraw/zinc/76/65/50/712766550.db2.gz ZOACWGCDNQGBQF-DCAQKATOSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1CO[C@H](C(=O)N2CC[N@H+](C)C[C@H]2CO)C1 ZINC000718477734 712766549 /nfs/dbraw/zinc/76/65/49/712766549.db2.gz ZOACWGCDNQGBQF-DCAQKATOSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1CO[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2CO)C1 ZINC000718477738 712766672 /nfs/dbraw/zinc/76/66/72/712766672.db2.gz ZOACWGCDNQGBQF-GARJFASQSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1CO[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2CO)C1 ZINC000718477738 712766671 /nfs/dbraw/zinc/76/66/71/712766671.db2.gz ZOACWGCDNQGBQF-GARJFASQSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1CO[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2CO)C1 ZINC000718477744 712766472 /nfs/dbraw/zinc/76/64/72/712766472.db2.gz ZOACWGCDNQGBQF-HBNTYKKESA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1CO[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2CO)C1 ZINC000718477744 712766469 /nfs/dbraw/zinc/76/64/69/712766469.db2.gz ZOACWGCDNQGBQF-HBNTYKKESA-N 1 2 242.319 -0.454 20 0 BBADLO Cn1nnnc1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719000202 712792892 /nfs/dbraw/zinc/79/28/92/712792892.db2.gz JOOKANHEYLNFEX-MRVPVSSYSA-N 1 2 239.279 -0.595 20 0 BBADLO Cn1nnnc1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719000202 712792889 /nfs/dbraw/zinc/79/28/89/712792889.db2.gz JOOKANHEYLNFEX-MRVPVSSYSA-N 1 2 239.279 -0.595 20 0 BBADLO Cn1nnnc1C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000719000205 712792649 /nfs/dbraw/zinc/79/26/49/712792649.db2.gz JOOKANHEYLNFEX-QMMMGPOBSA-N 1 2 239.279 -0.595 20 0 BBADLO Cn1nnnc1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000719000205 712792648 /nfs/dbraw/zinc/79/26/48/712792648.db2.gz JOOKANHEYLNFEX-QMMMGPOBSA-N 1 2 239.279 -0.595 20 0 BBADLO C[C@H]1[C@@H](NC(=O)c2nc[nH]n2)CC[N@H+]1C ZINC000719342604 712805006 /nfs/dbraw/zinc/80/50/06/712805006.db2.gz ZNUFKENMNSAJNH-BQBZGAKWSA-N 1 2 209.253 -0.373 20 0 BBADLO C[C@H]1[C@@H](NC(=O)c2nc[nH]n2)CC[N@@H+]1C ZINC000719342604 712805004 /nfs/dbraw/zinc/80/50/04/712805004.db2.gz ZNUFKENMNSAJNH-BQBZGAKWSA-N 1 2 209.253 -0.373 20 0 BBADLO C[C@H]1[C@H](NC(=O)c2nc[nH]n2)CC[N@H+]1C ZINC000719342606 712804704 /nfs/dbraw/zinc/80/47/04/712804704.db2.gz ZNUFKENMNSAJNH-NKWVEPMBSA-N 1 2 209.253 -0.373 20 0 BBADLO C[C@H]1[C@H](NC(=O)c2nc[nH]n2)CC[N@@H+]1C ZINC000719342606 712804703 /nfs/dbraw/zinc/80/47/03/712804703.db2.gz ZNUFKENMNSAJNH-NKWVEPMBSA-N 1 2 209.253 -0.373 20 0 BBADLO C[C@@H]1[C@H](NC(=O)c2nc[nH]n2)CC[N@H+]1C ZINC000719342608 712804609 /nfs/dbraw/zinc/80/46/09/712804609.db2.gz ZNUFKENMNSAJNH-RNFRBKRXSA-N 1 2 209.253 -0.373 20 0 BBADLO C[C@@H]1[C@H](NC(=O)c2nc[nH]n2)CC[N@@H+]1C ZINC000719342608 712804608 /nfs/dbraw/zinc/80/46/08/712804608.db2.gz ZNUFKENMNSAJNH-RNFRBKRXSA-N 1 2 209.253 -0.373 20 0 BBADLO C[C@@H]1[C@@H](NC(=O)c2nc[nH]n2)CC[N@H+]1C ZINC000719342611 712804658 /nfs/dbraw/zinc/80/46/58/712804658.db2.gz ZNUFKENMNSAJNH-RQJHMYQMSA-N 1 2 209.253 -0.373 20 0 BBADLO C[C@@H]1[C@@H](NC(=O)c2nc[nH]n2)CC[N@@H+]1C ZINC000719342611 712804656 /nfs/dbraw/zinc/80/46/56/712804656.db2.gz ZNUFKENMNSAJNH-RQJHMYQMSA-N 1 2 209.253 -0.373 20 0 BBADLO C[C@@H]1[C@@H]([NH2+]Cc2ncnn2C)CCN1C ZINC000719601627 712815503 /nfs/dbraw/zinc/81/55/03/712815503.db2.gz PZNTTYDVUGCAJE-BDAKNGLRSA-N 1 2 209.297 -0.003 20 0 BBADLO C[C@H]1[C@H]([NH2+]Cc2ncnn2C)CCN1C ZINC000719601633 712815516 /nfs/dbraw/zinc/81/55/16/712815516.db2.gz PZNTTYDVUGCAJE-DTWKUNHWSA-N 1 2 209.297 -0.003 20 0 BBADLO C[C@H]1[C@@H]([NH2+]Cc2ncnn2C)CCN1C ZINC000719601639 712815524 /nfs/dbraw/zinc/81/55/24/712815524.db2.gz PZNTTYDVUGCAJE-IUCAKERBSA-N 1 2 209.297 -0.003 20 0 BBADLO C[C@@H]1[C@H]([NH2+]Cc2ncnn2C)CCN1C ZINC000719601667 712815587 /nfs/dbraw/zinc/81/55/87/712815587.db2.gz PZNTTYDVUGCAJE-RKDXNWHRSA-N 1 2 209.297 -0.003 20 0 BBADLO Cc1conc1C[NH+](CCO)CCO ZINC000720359571 712833789 /nfs/dbraw/zinc/83/37/89/712833789.db2.gz XLOHTOLTVJTDSM-UHFFFAOYSA-N 1 2 200.238 -0.230 20 0 BBADLO Cc1cc(C[NH2+]CCNS(C)(=O)=O)no1 ZINC000720413789 712840832 /nfs/dbraw/zinc/84/08/32/712840832.db2.gz UQKIXGVCUPBGEN-UHFFFAOYSA-N 1 2 233.293 -0.378 20 0 BBADLO Cc1conc1C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000720453379 712843836 /nfs/dbraw/zinc/84/38/36/712843836.db2.gz QJABSQQOLFSZFU-SECBINFHSA-N 1 2 239.275 -0.268 20 0 BBADLO Cc1conc1C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000720453379 712843834 /nfs/dbraw/zinc/84/38/34/712843834.db2.gz QJABSQQOLFSZFU-SECBINFHSA-N 1 2 239.275 -0.268 20 0 BBADLO Cc1conc1C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000720453380 712843965 /nfs/dbraw/zinc/84/39/65/712843965.db2.gz QJABSQQOLFSZFU-VIFPVBQESA-N 1 2 239.275 -0.268 20 0 BBADLO Cc1conc1C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000720453380 712843963 /nfs/dbraw/zinc/84/39/63/712843963.db2.gz QJABSQQOLFSZFU-VIFPVBQESA-N 1 2 239.275 -0.268 20 0 BBADLO CNC(=O)N1CC[NH+](CCC(C)=O)CC1 ZINC000722196414 711724742 /nfs/dbraw/zinc/72/47/42/711724742.db2.gz OLFUIGIQRPBFFL-UHFFFAOYSA-N 1 2 213.281 -0.078 20 0 BBADLO CNC(=O)N1CC[NH+](CC(OC)OC)CC1 ZINC000722202758 711727954 /nfs/dbraw/zinc/72/79/54/711727954.db2.gz ULYADHMGZCBPOU-UHFFFAOYSA-N 1 2 231.296 -0.438 20 0 BBADLO CCN1CCC[C@H]([NH2+]Cc2cn(C)nn2)C1=O ZINC000722356645 711745017 /nfs/dbraw/zinc/74/50/17/711745017.db2.gz KPTMWNCSYSHCCN-JTQLQIEISA-N 1 2 237.307 -0.084 20 0 BBADLO CCN1CCC[C@@H]([NH2+]Cc2cn(C)nn2)C1=O ZINC000722356646 711745308 /nfs/dbraw/zinc/74/53/08/711745308.db2.gz KPTMWNCSYSHCCN-SNVBAGLBSA-N 1 2 237.307 -0.084 20 0 BBADLO CCN1CCC[C@H]([NH2+]Cc2cnn(C)n2)C1=O ZINC000722359071 711746355 /nfs/dbraw/zinc/74/63/55/711746355.db2.gz ZDROLMMELSMTAT-JTQLQIEISA-N 1 2 237.307 -0.084 20 0 BBADLO CCN1CCC[C@@H]([NH2+]Cc2cnn(C)n2)C1=O ZINC000722359074 711746535 /nfs/dbraw/zinc/74/65/35/711746535.db2.gz ZDROLMMELSMTAT-SNVBAGLBSA-N 1 2 237.307 -0.084 20 0 BBADLO Cc1cn(C)nc1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000723934079 710733888 /nfs/dbraw/zinc/73/38/88/710733888.db2.gz YMNLEAMXNMXCBU-AOOOYVTPSA-N 1 2 211.265 -0.734 20 0 BBADLO Cc1cn(C)nc1C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000723934079 710733885 /nfs/dbraw/zinc/73/38/85/710733885.db2.gz YMNLEAMXNMXCBU-AOOOYVTPSA-N 1 2 211.265 -0.734 20 0 BBADLO CO[C@@H]1C[N@@H+](Cc2nn(C)cc2C)C[C@H]1O ZINC000724012067 711555633 /nfs/dbraw/zinc/55/56/33/711555633.db2.gz MWVJPLUVZFELEL-GHMZBOCLSA-N 1 2 225.292 -0.080 20 0 BBADLO CO[C@@H]1C[N@H+](Cc2nn(C)cc2C)C[C@H]1O ZINC000724012067 711555632 /nfs/dbraw/zinc/55/56/32/711555632.db2.gz MWVJPLUVZFELEL-GHMZBOCLSA-N 1 2 225.292 -0.080 20 0 BBADLO COC(=O)C[N@@H+](C)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724670087 711607610 /nfs/dbraw/zinc/60/76/10/711607610.db2.gz QGJJMXIPFXBIJC-UTLUCORTSA-N 1 2 229.276 -0.105 20 0 BBADLO COC(=O)C[N@H+](C)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724670087 711607609 /nfs/dbraw/zinc/60/76/09/711607609.db2.gz QGJJMXIPFXBIJC-UTLUCORTSA-N 1 2 229.276 -0.105 20 0 BBADLO COC(=O)C[N@@H+](C)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724671392 711607694 /nfs/dbraw/zinc/60/76/94/711607694.db2.gz QGJJMXIPFXBIJC-GUBZILKMSA-N 1 2 229.276 -0.105 20 0 BBADLO COC(=O)C[N@H+](C)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724671392 711607692 /nfs/dbraw/zinc/60/76/92/711607692.db2.gz QGJJMXIPFXBIJC-GUBZILKMSA-N 1 2 229.276 -0.105 20 0 BBADLO COC(=O)C[N@@H+](C)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724671394 711607641 /nfs/dbraw/zinc/60/76/41/711607641.db2.gz QGJJMXIPFXBIJC-KXUCPTDWSA-N 1 2 229.276 -0.105 20 0 BBADLO COC(=O)C[N@H+](C)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724671394 711607640 /nfs/dbraw/zinc/60/76/40/711607640.db2.gz QGJJMXIPFXBIJC-KXUCPTDWSA-N 1 2 229.276 -0.105 20 0 BBADLO COC(=O)C[N@@H+](C)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724671395 711607626 /nfs/dbraw/zinc/60/76/26/711607626.db2.gz QGJJMXIPFXBIJC-LPEHRKFASA-N 1 2 229.276 -0.105 20 0 BBADLO COC(=O)C[N@H+](C)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724671395 711607625 /nfs/dbraw/zinc/60/76/25/711607625.db2.gz QGJJMXIPFXBIJC-LPEHRKFASA-N 1 2 229.276 -0.105 20 0 BBADLO CCNC(=O)[C@H](C)NC(=O)C[C@@H]([NH3+])C(F)F ZINC000724698380 710746351 /nfs/dbraw/zinc/74/63/51/710746351.db2.gz DPQWAIGXECDQDM-NTSWFWBYSA-N 1 2 237.250 -0.390 20 0 BBADLO CCNC(=O)[C@@H](C)NC(=O)C[C@@H]([NH3+])C(F)F ZINC000724698381 710745966 /nfs/dbraw/zinc/74/59/66/710745966.db2.gz DPQWAIGXECDQDM-PHDIDXHHSA-N 1 2 237.250 -0.390 20 0 BBADLO CCNC(=O)[C@@H](C)NC(=O)C[C@H]([NH3+])C(F)F ZINC000724698382 710746743 /nfs/dbraw/zinc/74/67/43/710746743.db2.gz DPQWAIGXECDQDM-RITPCOANSA-N 1 2 237.250 -0.390 20 0 BBADLO CCNC(=O)[C@H](C)NC(=O)C[C@H]([NH3+])C(F)F ZINC000724698383 710746552 /nfs/dbraw/zinc/74/65/52/710746552.db2.gz DPQWAIGXECDQDM-WDSKDSINSA-N 1 2 237.250 -0.390 20 0 BBADLO CC(C)NC(=O)CNC(=O)C[C@@H]([NH3+])C(F)F ZINC000724699804 711739564 /nfs/dbraw/zinc/73/95/64/711739564.db2.gz JPXOBWKDSPFXRM-ZCFIWIBFSA-N 1 2 237.250 -0.390 20 0 BBADLO COC(=O)CNC(=O)C[C@H]([NH3+])C(F)F ZINC000724726284 711609770 /nfs/dbraw/zinc/60/97/70/711609770.db2.gz BLOMKCPUSXISJW-BYPYZUCNSA-N 1 2 210.180 -0.742 20 0 BBADLO COC(=O)CNC(=O)C[C@@H]([NH3+])C(F)F ZINC000724726285 711609956 /nfs/dbraw/zinc/60/99/56/711609956.db2.gz BLOMKCPUSXISJW-SCSAIBSYSA-N 1 2 210.180 -0.742 20 0 BBADLO [NH3+][C@@H](CC(=O)N1CCOCC1)C(F)F ZINC000724727183 711609712 /nfs/dbraw/zinc/60/97/12/711609712.db2.gz JUHXAGFXKXURTD-LURJTMIESA-N 1 2 208.208 -0.172 20 0 BBADLO [NH3+][C@H](CC(=O)N1CCOCC1)C(F)F ZINC000724727184 711609676 /nfs/dbraw/zinc/60/96/76/711609676.db2.gz JUHXAGFXKXURTD-ZCFIWIBFSA-N 1 2 208.208 -0.172 20 0 BBADLO COC(=O)[C@H](C)NC(=O)C[C@@H]([NH3+])C(F)F ZINC000724734144 710745723 /nfs/dbraw/zinc/74/57/23/710745723.db2.gz MAJVJOMIWALGDB-CRCLSJGQSA-N 1 2 224.207 -0.353 20 0 BBADLO COC(=O)[C@@H](C)NC(=O)C[C@@H]([NH3+])C(F)F ZINC000724734145 710745875 /nfs/dbraw/zinc/74/58/75/710745875.db2.gz MAJVJOMIWALGDB-RFZPGFLSSA-N 1 2 224.207 -0.353 20 0 BBADLO COC(=O)[C@@H](C)NC(=O)C[C@H]([NH3+])C(F)F ZINC000724734147 710746649 /nfs/dbraw/zinc/74/66/49/710746649.db2.gz MAJVJOMIWALGDB-UHNVWZDZSA-N 1 2 224.207 -0.353 20 0 BBADLO COC(=O)[C@H](C)NC(=O)C[C@H]([NH3+])C(F)F ZINC000724734148 710746856 /nfs/dbraw/zinc/74/68/56/710746856.db2.gz MAJVJOMIWALGDB-WHFBIAKZSA-N 1 2 224.207 -0.353 20 0 BBADLO CCOC(=O)CNC(=O)C[C@@H]([NH3+])C(F)F ZINC000724734608 711610155 /nfs/dbraw/zinc/61/01/55/711610155.db2.gz NKZAJGIVJXDNCP-RXMQYKEDSA-N 1 2 224.207 -0.352 20 0 BBADLO CCOC(=O)CNC(=O)C[C@H]([NH3+])C(F)F ZINC000724734609 711609926 /nfs/dbraw/zinc/60/99/26/711609926.db2.gz NKZAJGIVJXDNCP-YFKPBYRVSA-N 1 2 224.207 -0.352 20 0 BBADLO COC(=O)CCNC(=O)C[C@@H]([NH3+])C(F)F ZINC000724736046 711609686 /nfs/dbraw/zinc/60/96/86/711609686.db2.gz WLNGKAJVWHJWMC-RXMQYKEDSA-N 1 2 224.207 -0.352 20 0 BBADLO COC(=O)CCNC(=O)C[C@H]([NH3+])C(F)F ZINC000724736047 711609698 /nfs/dbraw/zinc/60/96/98/711609698.db2.gz WLNGKAJVWHJWMC-YFKPBYRVSA-N 1 2 224.207 -0.352 20 0 BBADLO [NH3+][C@@H](CC(=O)NCC(=O)NC1CC1)C(F)F ZINC000724750770 711610751 /nfs/dbraw/zinc/61/07/51/711610751.db2.gz FNEUGBZNRZJFRX-LURJTMIESA-N 1 2 235.234 -0.636 20 0 BBADLO [NH3+][C@H](CC(=O)NCC(=O)NC1CC1)C(F)F ZINC000724750771 711610706 /nfs/dbraw/zinc/61/07/06/711610706.db2.gz FNEUGBZNRZJFRX-ZCFIWIBFSA-N 1 2 235.234 -0.636 20 0 BBADLO [NH3+][C@@H](CC(=O)N[C@H]1CCCCNC1=O)C(F)F ZINC000724760540 711610792 /nfs/dbraw/zinc/61/07/92/711610792.db2.gz YNEBLYVLKWAMLL-BQBZGAKWSA-N 1 2 249.261 -0.246 20 0 BBADLO [NH3+][C@@H](CC(=O)N[C@@H]1CCCCNC1=O)C(F)F ZINC000724760543 711610848 /nfs/dbraw/zinc/61/08/48/711610848.db2.gz YNEBLYVLKWAMLL-NKWVEPMBSA-N 1 2 249.261 -0.246 20 0 BBADLO [NH3+][C@H](CC(=O)N[C@@H]1CCCCNC1=O)C(F)F ZINC000724760546 711610498 /nfs/dbraw/zinc/61/04/98/711610498.db2.gz YNEBLYVLKWAMLL-RNFRBKRXSA-N 1 2 249.261 -0.246 20 0 BBADLO [NH3+][C@H](CC(=O)N[C@H]1CCCCNC1=O)C(F)F ZINC000724760547 711610569 /nfs/dbraw/zinc/61/05/69/711610569.db2.gz YNEBLYVLKWAMLL-RQJHMYQMSA-N 1 2 249.261 -0.246 20 0 BBADLO CN(CC(=O)NC1CC1)C(=O)C[C@@H]([NH3+])C(F)F ZINC000724760555 711610461 /nfs/dbraw/zinc/61/04/61/711610461.db2.gz YPGGYVLWCOOHSB-SSDOTTSWSA-N 1 2 249.261 -0.294 20 0 BBADLO CN(CC(=O)NC1CC1)C(=O)C[C@H]([NH3+])C(F)F ZINC000724760558 711610838 /nfs/dbraw/zinc/61/08/38/711610838.db2.gz YPGGYVLWCOOHSB-ZETCQYMHSA-N 1 2 249.261 -0.294 20 0 BBADLO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cnn(C)n1 ZINC000724878372 711623262 /nfs/dbraw/zinc/62/32/62/711623262.db2.gz QEIKJPIGTPDYRM-NXEZZACHSA-N 1 2 226.280 -0.291 20 0 BBADLO CO[C@@H]1CCOC[C@H]1Nc1nc(N)nc(C)[nH+]1 ZINC000725033553 711645452 /nfs/dbraw/zinc/64/54/52/711645452.db2.gz VXHZPTNCJBFKKA-HTQZYQBOSA-N 1 2 239.279 -0.022 20 0 BBADLO CO[C@@H]1CCOC[C@H]1Nc1nc(C)[nH+]c(N)n1 ZINC000725033553 711645450 /nfs/dbraw/zinc/64/54/50/711645450.db2.gz VXHZPTNCJBFKKA-HTQZYQBOSA-N 1 2 239.279 -0.022 20 0 BBADLO Cn1nc(C(=O)N2CC[NH+](C3CC3)CC2)cc1N ZINC000725144256 711655697 /nfs/dbraw/zinc/65/56/97/711655697.db2.gz ZROFUDXSCGCXTE-UHFFFAOYSA-N 1 2 249.318 -0.078 20 0 BBADLO CCN(CC(=O)NC)C(=O)CCn1cc[nH+]c1 ZINC000725886003 633863395 /nfs/dbraw/zinc/86/33/95/633863395.db2.gz YJNXLAWZWARYED-UHFFFAOYSA-N 1 2 238.291 -0.132 20 0 BBADLO COCCNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726253291 583343820 /nfs/dbraw/zinc/34/38/20/583343820.db2.gz APWBKXSIQUDJON-JTQLQIEISA-N 1 2 245.323 -0.347 20 0 BBADLO COCCNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726253291 583343818 /nfs/dbraw/zinc/34/38/18/583343818.db2.gz APWBKXSIQUDJON-JTQLQIEISA-N 1 2 245.323 -0.347 20 0 BBADLO COCCNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726253294 583343716 /nfs/dbraw/zinc/34/37/16/583343716.db2.gz APWBKXSIQUDJON-SNVBAGLBSA-N 1 2 245.323 -0.347 20 0 BBADLO COCCNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726253294 583343714 /nfs/dbraw/zinc/34/37/14/583343714.db2.gz APWBKXSIQUDJON-SNVBAGLBSA-N 1 2 245.323 -0.347 20 0 BBADLO C[C@H]1C[N@@H+](CCNC(=O)NCCCO)CCO1 ZINC000726260698 583343385 /nfs/dbraw/zinc/34/33/85/583343385.db2.gz NOCYVMUEOSWTCL-JTQLQIEISA-N 1 2 245.323 -0.611 20 0 BBADLO 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/nfs/dbraw/zinc/78/66/81/583786681.db2.gz NOHFBLIZSGCPHG-SECBINFHSA-N 1 2 248.348 -0.369 20 0 BBADLO CCS(=O)(=O)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000727860603 583786701 /nfs/dbraw/zinc/78/67/01/583786701.db2.gz NOHFBLIZSGCPHG-VIFPVBQESA-N 1 2 248.348 -0.369 20 0 BBADLO CCS(=O)(=O)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000727860603 583786700 /nfs/dbraw/zinc/78/67/00/583786700.db2.gz NOHFBLIZSGCPHG-VIFPVBQESA-N 1 2 248.348 -0.369 20 0 BBADLO CN(CCS(C)(=O)=O)C(=O)C[NH+](C)C ZINC000728025668 583845559 /nfs/dbraw/zinc/84/55/59/583845559.db2.gz QRKGHYZWMUJRPY-UHFFFAOYSA-N 1 2 222.310 -0.949 20 0 BBADLO CC[N@@H+](CCCS(C)(=O)=O)CC(=O)NC ZINC000728688821 583904553 /nfs/dbraw/zinc/90/45/53/583904553.db2.gz ZSVULWBGRYLWKZ-UHFFFAOYSA-N 1 2 236.337 -0.511 20 0 BBADLO CC[N@H+](CCCS(C)(=O)=O)CC(=O)NC ZINC000728688821 583904552 /nfs/dbraw/zinc/90/45/52/583904552.db2.gz ZSVULWBGRYLWKZ-UHFFFAOYSA-N 1 2 236.337 -0.511 20 0 BBADLO Cc1nnc(NC(=O)CC[NH+]2CCOCC2)[nH]1 ZINC000728703037 583905302 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PMVBSIISVHEBGM-SECBINFHSA-N 1 2 241.291 -0.351 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1CCCN1CCOC1=O ZINC000729473148 584015107 /nfs/dbraw/zinc/01/51/07/584015107.db2.gz PMVBSIISVHEBGM-SECBINFHSA-N 1 2 241.291 -0.351 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1CCCN1CCOC1=O ZINC000729473149 584015236 /nfs/dbraw/zinc/01/52/36/584015236.db2.gz PMVBSIISVHEBGM-VIFPVBQESA-N 1 2 241.291 -0.351 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1CCCN1CCOC1=O ZINC000729473149 584015235 /nfs/dbraw/zinc/01/52/35/584015235.db2.gz PMVBSIISVHEBGM-VIFPVBQESA-N 1 2 241.291 -0.351 20 0 BBADLO NC(=O)C[N@H+]1CCCN(c2ncccn2)CC1 ZINC000730106780 584123854 /nfs/dbraw/zinc/12/38/54/584123854.db2.gz JAUUSKSYBHPFAX-UHFFFAOYSA-N 1 2 235.291 -0.526 20 0 BBADLO NC(=O)C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000730106780 584123852 /nfs/dbraw/zinc/12/38/52/584123852.db2.gz JAUUSKSYBHPFAX-UHFFFAOYSA-N 1 2 235.291 -0.526 20 0 BBADLO COC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000730228013 584894238 /nfs/dbraw/zinc/89/42/38/584894238.db2.gz VKBLRBBAGTWSBP-SECBINFHSA-N 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/nfs/dbraw/zinc/89/73/08/584897308.db2.gz VSZCPHBHWQUISF-QMMMGPOBSA-N 1 2 240.263 -0.257 20 0 BBADLO COC(=O)c1ncn(C[N@H+](C)[C@H]2CCOC2)n1 ZINC000730260832 584897307 /nfs/dbraw/zinc/89/73/07/584897307.db2.gz VSZCPHBHWQUISF-QMMMGPOBSA-N 1 2 240.263 -0.257 20 0 BBADLO CONC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000730272212 584898062 /nfs/dbraw/zinc/89/80/62/584898062.db2.gz GVWRRKRRQHPPDO-SECBINFHSA-N 1 2 230.312 -0.517 20 0 BBADLO CONC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000730272213 584898138 /nfs/dbraw/zinc/89/81/38/584898138.db2.gz GVWRRKRRQHPPDO-VIFPVBQESA-N 1 2 230.312 -0.517 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1CCN1CCOC1=O ZINC000731103785 584922046 /nfs/dbraw/zinc/92/20/46/584922046.db2.gz IEDMEWXCXASWLX-MRVPVSSYSA-N 1 2 227.264 -0.741 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1CCN1CCOC1=O ZINC000731103785 584922045 /nfs/dbraw/zinc/92/20/45/584922045.db2.gz IEDMEWXCXASWLX-MRVPVSSYSA-N 1 2 227.264 -0.741 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1CCN1CCOC1=O ZINC000731103786 584922150 /nfs/dbraw/zinc/92/21/50/584922150.db2.gz IEDMEWXCXASWLX-QMMMGPOBSA-N 1 2 227.264 -0.741 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1CCN1CCOC1=O ZINC000731103786 584922149 /nfs/dbraw/zinc/92/21/49/584922149.db2.gz IEDMEWXCXASWLX-QMMMGPOBSA-N 1 2 227.264 -0.741 20 0 BBADLO CNC(=O)C[N@@H+](C)CCN1CCOC1=O ZINC000731104570 584922390 /nfs/dbraw/zinc/92/23/90/584922390.db2.gz PVKUYOXIEFVARE-UHFFFAOYSA-N 1 2 215.253 -0.884 20 0 BBADLO CNC(=O)C[N@H+](C)CCN1CCOC1=O ZINC000731104570 584922389 /nfs/dbraw/zinc/92/23/89/584922389.db2.gz PVKUYOXIEFVARE-UHFFFAOYSA-N 1 2 215.253 -0.884 20 0 BBADLO C=CC(=O)NCCNC(=O)CCn1cc[nH+]c1 ZINC000732097627 584933714 /nfs/dbraw/zinc/93/37/14/584933714.db2.gz GRVRCAHKAATZLX-UHFFFAOYSA-N 1 2 236.275 -0.308 20 0 BBADLO CO[C@H](C)CC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000732149223 584934207 /nfs/dbraw/zinc/93/42/07/584934207.db2.gz FBIKUZXUTNBXGQ-GHMZBOCLSA-N 1 2 243.351 -0.227 20 0 BBADLO CO[C@H](C)CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000732149223 584934206 /nfs/dbraw/zinc/93/42/06/584934206.db2.gz FBIKUZXUTNBXGQ-GHMZBOCLSA-N 1 2 243.351 -0.227 20 0 BBADLO CO[C@H](C)CC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000732149224 584934227 /nfs/dbraw/zinc/93/42/27/584934227.db2.gz FBIKUZXUTNBXGQ-MNOVXSKESA-N 1 2 243.351 -0.227 20 0 BBADLO CO[C@H](C)CC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000732149224 584934226 /nfs/dbraw/zinc/93/42/26/584934226.db2.gz FBIKUZXUTNBXGQ-MNOVXSKESA-N 1 2 243.351 -0.227 20 0 BBADLO CO[C@@H](C)CC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000732149225 584934222 /nfs/dbraw/zinc/93/42/22/584934222.db2.gz FBIKUZXUTNBXGQ-QWRGUYRKSA-N 1 2 243.351 -0.227 20 0 BBADLO CO[C@@H](C)CC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000732149225 584934221 /nfs/dbraw/zinc/93/42/21/584934221.db2.gz FBIKUZXUTNBXGQ-QWRGUYRKSA-N 1 2 243.351 -0.227 20 0 BBADLO CO[C@@H](C)CC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000732149226 584934502 /nfs/dbraw/zinc/93/45/02/584934502.db2.gz FBIKUZXUTNBXGQ-WDEREUQCSA-N 1 2 243.351 -0.227 20 0 BBADLO CO[C@@H](C)CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000732149226 584934501 /nfs/dbraw/zinc/93/45/01/584934501.db2.gz FBIKUZXUTNBXGQ-WDEREUQCSA-N 1 2 243.351 -0.227 20 0 BBADLO O=C1OCCN1CCC[NH+]1CCS(=O)CC1 ZINC000732200913 584934718 /nfs/dbraw/zinc/93/47/18/584934718.db2.gz TXHAMJVJXQLXAB-UHFFFAOYSA-N 1 2 246.332 -0.107 20 0 BBADLO CN(CC[NH+]1CCOCC1)[C@H]1CCOC1=O ZINC000732868995 584941565 /nfs/dbraw/zinc/94/15/65/584941565.db2.gz CEECXVJTCQDZJN-JTQLQIEISA-N 1 2 228.292 -0.434 20 0 BBADLO C[N@@H+](CCN1CCOCC1)[C@H]1CCOC1=O ZINC000732868995 584941564 /nfs/dbraw/zinc/94/15/64/584941564.db2.gz CEECXVJTCQDZJN-JTQLQIEISA-N 1 2 228.292 -0.434 20 0 BBADLO C[N@H+](CCN1CCOCC1)[C@H]1CCOC1=O ZINC000732868995 584941563 /nfs/dbraw/zinc/94/15/63/584941563.db2.gz CEECXVJTCQDZJN-JTQLQIEISA-N 1 2 228.292 -0.434 20 0 BBADLO CN(CC[NH+]1CCOCC1)[C@@H]1CCOC1=O ZINC000732868998 584941585 /nfs/dbraw/zinc/94/15/85/584941585.db2.gz CEECXVJTCQDZJN-SNVBAGLBSA-N 1 2 228.292 -0.434 20 0 BBADLO C[N@@H+](CCN1CCOCC1)[C@@H]1CCOC1=O ZINC000732868998 584941584 /nfs/dbraw/zinc/94/15/84/584941584.db2.gz CEECXVJTCQDZJN-SNVBAGLBSA-N 1 2 228.292 -0.434 20 0 BBADLO C[N@H+](CCN1CCOCC1)[C@@H]1CCOC1=O ZINC000732868998 584941583 /nfs/dbraw/zinc/94/15/83/584941583.db2.gz CEECXVJTCQDZJN-SNVBAGLBSA-N 1 2 228.292 -0.434 20 0 BBADLO C[C@@H]1CC(=O)N(C[N@H+]2CCNC(=O)CC2)C1 ZINC000733295160 584946263 /nfs/dbraw/zinc/94/62/63/584946263.db2.gz WNPPKBZOAUWVJQ-SECBINFHSA-N 1 2 225.292 -0.366 20 0 BBADLO C[C@@H]1CC(=O)N(C[N@@H+]2CCNC(=O)CC2)C1 ZINC000733295160 584946262 /nfs/dbraw/zinc/94/62/62/584946262.db2.gz WNPPKBZOAUWVJQ-SECBINFHSA-N 1 2 225.292 -0.366 20 0 BBADLO C[C@H]1CC(=O)N(C[N@H+]2CCNC(=O)CC2)C1 ZINC000733295161 584946298 /nfs/dbraw/zinc/94/62/98/584946298.db2.gz WNPPKBZOAUWVJQ-VIFPVBQESA-N 1 2 225.292 -0.366 20 0 BBADLO C[C@H]1CC(=O)N(C[N@@H+]2CCNC(=O)CC2)C1 ZINC000733295161 584946297 /nfs/dbraw/zinc/94/62/97/584946297.db2.gz WNPPKBZOAUWVJQ-VIFPVBQESA-N 1 2 225.292 -0.366 20 0 BBADLO CC[N@@H+](CC(=O)NC)CC(=O)N(C)CC1CC1 ZINC000733610819 584951246 /nfs/dbraw/zinc/95/12/46/584951246.db2.gz YKXGXIYQRGLIMR-UHFFFAOYSA-N 1 2 241.335 -0.077 20 0 BBADLO CC[N@H+](CC(=O)NC)CC(=O)N(C)CC1CC1 ZINC000733610819 584951245 /nfs/dbraw/zinc/95/12/45/584951245.db2.gz YKXGXIYQRGLIMR-UHFFFAOYSA-N 1 2 241.335 -0.077 20 0 BBADLO CC[S@@](=O)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000733966695 584955766 /nfs/dbraw/zinc/95/57/66/584955766.db2.gz SMWXHPNRRBSXLE-BJOHPYRUSA-N 1 2 232.349 -0.035 20 0 BBADLO CC[S@@](=O)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000733966695 584955765 /nfs/dbraw/zinc/95/57/65/584955765.db2.gz SMWXHPNRRBSXLE-BJOHPYRUSA-N 1 2 232.349 -0.035 20 0 BBADLO CC[S@](=O)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC000733966696 584955826 /nfs/dbraw/zinc/95/58/26/584955826.db2.gz SMWXHPNRRBSXLE-PSLIRLAXSA-N 1 2 232.349 -0.035 20 0 BBADLO CC[S@](=O)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000733966696 584955825 /nfs/dbraw/zinc/95/58/25/584955825.db2.gz SMWXHPNRRBSXLE-PSLIRLAXSA-N 1 2 232.349 -0.035 20 0 BBADLO CC[S@@](=O)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC000733966697 584955797 /nfs/dbraw/zinc/95/57/97/584955797.db2.gz SMWXHPNRRBSXLE-RFAUZJTJSA-N 1 2 232.349 -0.035 20 0 BBADLO CC[S@@](=O)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000733966697 584955796 /nfs/dbraw/zinc/95/57/96/584955796.db2.gz SMWXHPNRRBSXLE-RFAUZJTJSA-N 1 2 232.349 -0.035 20 0 BBADLO CC[S@](=O)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000733966698 584955910 /nfs/dbraw/zinc/95/59/10/584955910.db2.gz SMWXHPNRRBSXLE-VFZGTOFNSA-N 1 2 232.349 -0.035 20 0 BBADLO CC[S@](=O)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000733966698 584955909 /nfs/dbraw/zinc/95/59/09/584955909.db2.gz SMWXHPNRRBSXLE-VFZGTOFNSA-N 1 2 232.349 -0.035 20 0 BBADLO CNC(=O)C1([NH2+]Cc2nnnn2C)CCCC1 ZINC000734000151 584956224 /nfs/dbraw/zinc/95/62/24/584956224.db2.gz YYJAYNGHMDUWPH-UHFFFAOYSA-N 1 2 238.295 -0.642 20 0 BBADLO C[N@H+]1CCO[C@@H](CNC(=O)C2=COCC2)C1 ZINC000734124510 643489794 /nfs/dbraw/zinc/48/97/94/643489794.db2.gz GUJDBYLJLDUOFG-JTQLQIEISA-N 1 2 226.276 -0.263 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNC(=O)C2=COCC2)C1 ZINC000734124510 643489789 /nfs/dbraw/zinc/48/97/89/643489789.db2.gz GUJDBYLJLDUOFG-JTQLQIEISA-N 1 2 226.276 -0.263 20 0 BBADLO C[N@H+]1CCO[C@H](CNC(=O)C2=COCC2)C1 ZINC000734124511 643490404 /nfs/dbraw/zinc/49/04/04/643490404.db2.gz GUJDBYLJLDUOFG-SNVBAGLBSA-N 1 2 226.276 -0.263 20 0 BBADLO C[N@@H+]1CCO[C@H](CNC(=O)C2=COCC2)C1 ZINC000734124511 643490401 /nfs/dbraw/zinc/49/04/01/643490401.db2.gz GUJDBYLJLDUOFG-SNVBAGLBSA-N 1 2 226.276 -0.263 20 0 BBADLO CNC(=O)CC[N@@H+](C)Cc1nonc1C ZINC000734148783 584957811 /nfs/dbraw/zinc/95/78/11/584957811.db2.gz LPIBRXLSUFMOIT-UHFFFAOYSA-N 1 2 212.253 -0.054 20 0 BBADLO CNC(=O)CC[N@H+](C)Cc1nonc1C ZINC000734148783 584957810 /nfs/dbraw/zinc/95/78/10/584957810.db2.gz LPIBRXLSUFMOIT-UHFFFAOYSA-N 1 2 212.253 -0.054 20 0 BBADLO CC1(C)C(=O)NCC[N@@H+]1CCN1CCOC1=O ZINC000734262963 584959693 /nfs/dbraw/zinc/95/96/93/584959693.db2.gz UJPKONQHJOWALJ-UHFFFAOYSA-N 1 2 241.291 -0.351 20 0 BBADLO CC1(C)C(=O)NCC[N@H+]1CCN1CCOC1=O ZINC000734262963 584959692 /nfs/dbraw/zinc/95/96/92/584959692.db2.gz UJPKONQHJOWALJ-UHFFFAOYSA-N 1 2 241.291 -0.351 20 0 BBADLO CNC(=O)[C@@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000734759901 584967772 /nfs/dbraw/zinc/96/77/72/584967772.db2.gz CLBQVWGDZKBVKN-MRVPVSSYSA-N 1 2 223.280 -0.237 20 0 BBADLO CNC(=O)[C@@H]1CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000734759901 584967771 /nfs/dbraw/zinc/96/77/71/584967771.db2.gz CLBQVWGDZKBVKN-MRVPVSSYSA-N 1 2 223.280 -0.237 20 0 BBADLO CNC(=O)[C@@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000734759901 584967770 /nfs/dbraw/zinc/96/77/70/584967770.db2.gz CLBQVWGDZKBVKN-MRVPVSSYSA-N 1 2 223.280 -0.237 20 0 BBADLO CNC(=O)[C@@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000734759901 584967769 /nfs/dbraw/zinc/96/77/69/584967769.db2.gz CLBQVWGDZKBVKN-MRVPVSSYSA-N 1 2 223.280 -0.237 20 0 BBADLO CNC(=O)[C@@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000734759901 584967768 /nfs/dbraw/zinc/96/77/68/584967768.db2.gz CLBQVWGDZKBVKN-MRVPVSSYSA-N 1 2 223.280 -0.237 20 0 BBADLO CNC(=O)[C@@H]1CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000734759901 584967767 /nfs/dbraw/zinc/96/77/67/584967767.db2.gz CLBQVWGDZKBVKN-MRVPVSSYSA-N 1 2 223.280 -0.237 20 0 BBADLO CNC(=O)[C@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000734759903 584967880 /nfs/dbraw/zinc/96/78/80/584967880.db2.gz CLBQVWGDZKBVKN-QMMMGPOBSA-N 1 2 223.280 -0.237 20 0 BBADLO CNC(=O)[C@H]1CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000734759903 584967879 /nfs/dbraw/zinc/96/78/79/584967879.db2.gz CLBQVWGDZKBVKN-QMMMGPOBSA-N 1 2 223.280 -0.237 20 0 BBADLO CNC(=O)[C@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000734759903 584967878 /nfs/dbraw/zinc/96/78/78/584967878.db2.gz CLBQVWGDZKBVKN-QMMMGPOBSA-N 1 2 223.280 -0.237 20 0 BBADLO CNC(=O)[C@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000734759903 584967877 /nfs/dbraw/zinc/96/78/77/584967877.db2.gz CLBQVWGDZKBVKN-QMMMGPOBSA-N 1 2 223.280 -0.237 20 0 BBADLO CNC(=O)[C@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000734759903 584967876 /nfs/dbraw/zinc/96/78/76/584967876.db2.gz CLBQVWGDZKBVKN-QMMMGPOBSA-N 1 2 223.280 -0.237 20 0 BBADLO CNC(=O)[C@H]1CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000734759903 584967875 /nfs/dbraw/zinc/96/78/75/584967875.db2.gz CLBQVWGDZKBVKN-QMMMGPOBSA-N 1 2 223.280 -0.237 20 0 BBADLO C[N@H+]1CCC[C@@H]1C(=O)NCC[S@](C)=O ZINC000735045359 584971435 /nfs/dbraw/zinc/97/14/35/584971435.db2.gz DRUDWCAGSKFLOW-CLAHSXSESA-N 1 2 218.322 -0.425 20 0 BBADLO C[N@@H+]1CCC[C@@H]1C(=O)NCC[S@](C)=O ZINC000735045359 584971434 /nfs/dbraw/zinc/97/14/34/584971434.db2.gz DRUDWCAGSKFLOW-CLAHSXSESA-N 1 2 218.322 -0.425 20 0 BBADLO C[N@H+]1CCC[C@H]1C(=O)NCC[S@@](C)=O ZINC000735045360 584971327 /nfs/dbraw/zinc/97/13/27/584971327.db2.gz DRUDWCAGSKFLOW-RMLUDKJBSA-N 1 2 218.322 -0.425 20 0 BBADLO C[N@@H+]1CCC[C@H]1C(=O)NCC[S@@](C)=O ZINC000735045360 584971326 /nfs/dbraw/zinc/97/13/26/584971326.db2.gz DRUDWCAGSKFLOW-RMLUDKJBSA-N 1 2 218.322 -0.425 20 0 BBADLO C[N@H+]1CCC[C@H]1C(=O)NCC[S@](C)=O ZINC000735045361 584971456 /nfs/dbraw/zinc/97/14/56/584971456.db2.gz DRUDWCAGSKFLOW-RTHLEPHNSA-N 1 2 218.322 -0.425 20 0 BBADLO C[N@@H+]1CCC[C@H]1C(=O)NCC[S@](C)=O ZINC000735045361 584971455 /nfs/dbraw/zinc/97/14/55/584971455.db2.gz DRUDWCAGSKFLOW-RTHLEPHNSA-N 1 2 218.322 -0.425 20 0 BBADLO C[N@H+]1CCC[C@@H]1C(=O)NCC[S@@](C)=O ZINC000735045362 584971502 /nfs/dbraw/zinc/97/15/02/584971502.db2.gz DRUDWCAGSKFLOW-XLKFXECMSA-N 1 2 218.322 -0.425 20 0 BBADLO C[N@@H+]1CCC[C@@H]1C(=O)NCC[S@@](C)=O ZINC000735045362 584971501 /nfs/dbraw/zinc/97/15/01/584971501.db2.gz DRUDWCAGSKFLOW-XLKFXECMSA-N 1 2 218.322 -0.425 20 0 BBADLO C[N@H+]1CCCC[C@H]1C(=O)NCC[S@@](C)=O ZINC000735115890 643524545 /nfs/dbraw/zinc/52/45/45/643524545.db2.gz SIJUUNJLHUWQGK-BJOHPYRUSA-N 1 2 232.349 -0.035 20 0 BBADLO C[N@@H+]1CCCC[C@H]1C(=O)NCC[S@@](C)=O ZINC000735115890 643524540 /nfs/dbraw/zinc/52/45/40/643524540.db2.gz SIJUUNJLHUWQGK-BJOHPYRUSA-N 1 2 232.349 -0.035 20 0 BBADLO C[N@H+]1CCCC[C@@H]1C(=O)NCC[S@](C)=O ZINC000735115891 643522960 /nfs/dbraw/zinc/52/29/60/643522960.db2.gz SIJUUNJLHUWQGK-PSLIRLAXSA-N 1 2 232.349 -0.035 20 0 BBADLO C[N@@H+]1CCCC[C@@H]1C(=O)NCC[S@](C)=O ZINC000735115891 643522950 /nfs/dbraw/zinc/52/29/50/643522950.db2.gz SIJUUNJLHUWQGK-PSLIRLAXSA-N 1 2 232.349 -0.035 20 0 BBADLO C[N@H+]1CCCC[C@@H]1C(=O)NCC[S@@](C)=O ZINC000735115892 643523633 /nfs/dbraw/zinc/52/36/33/643523633.db2.gz SIJUUNJLHUWQGK-RFAUZJTJSA-N 1 2 232.349 -0.035 20 0 BBADLO C[N@@H+]1CCCC[C@@H]1C(=O)NCC[S@@](C)=O ZINC000735115892 643523628 /nfs/dbraw/zinc/52/36/28/643523628.db2.gz SIJUUNJLHUWQGK-RFAUZJTJSA-N 1 2 232.349 -0.035 20 0 BBADLO C[N@H+]1CCCC[C@H]1C(=O)NCC[S@](C)=O ZINC000735115893 643525100 /nfs/dbraw/zinc/52/51/00/643525100.db2.gz SIJUUNJLHUWQGK-VFZGTOFNSA-N 1 2 232.349 -0.035 20 0 BBADLO C[N@@H+]1CCCC[C@H]1C(=O)NCC[S@](C)=O ZINC000735115893 643525097 /nfs/dbraw/zinc/52/50/97/643525097.db2.gz SIJUUNJLHUWQGK-VFZGTOFNSA-N 1 2 232.349 -0.035 20 0 BBADLO NC(=O)NCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000735810682 584981743 /nfs/dbraw/zinc/98/17/43/584981743.db2.gz WCUJCKNJLCAPNG-UHFFFAOYSA-N 1 2 247.258 -0.268 20 0 BBADLO C[N@@H+](CCS(N)(=O)=O)Cc1ccco1 ZINC000735883346 584983362 /nfs/dbraw/zinc/98/33/62/584983362.db2.gz HMRNDCUJIDXMFY-UHFFFAOYSA-N 1 2 218.278 0.000 20 0 BBADLO C[N@H+](CCS(N)(=O)=O)Cc1ccco1 ZINC000735883346 584983361 /nfs/dbraw/zinc/98/33/61/584983361.db2.gz HMRNDCUJIDXMFY-UHFFFAOYSA-N 1 2 218.278 0.000 20 0 BBADLO C[C@@H]1C[N@@H+](CCS(N)(=O)=O)[C@H](C)CO1 ZINC000735883396 584983387 /nfs/dbraw/zinc/98/33/87/584983387.db2.gz IKEAYLXDYYGWIJ-HTQZYQBOSA-N 1 2 222.310 -0.616 20 0 BBADLO C[C@@H]1C[N@H+](CCS(N)(=O)=O)[C@H](C)CO1 ZINC000735883396 584983386 /nfs/dbraw/zinc/98/33/86/584983386.db2.gz IKEAYLXDYYGWIJ-HTQZYQBOSA-N 1 2 222.310 -0.616 20 0 BBADLO C[C@@H]1C[N@@H+](CCS(N)(=O)=O)[C@@H](C)CO1 ZINC000735883397 584983514 /nfs/dbraw/zinc/98/35/14/584983514.db2.gz IKEAYLXDYYGWIJ-JGVFFNPUSA-N 1 2 222.310 -0.616 20 0 BBADLO C[C@@H]1C[N@H+](CCS(N)(=O)=O)[C@@H](C)CO1 ZINC000735883397 584983513 /nfs/dbraw/zinc/98/35/13/584983513.db2.gz IKEAYLXDYYGWIJ-JGVFFNPUSA-N 1 2 222.310 -0.616 20 0 BBADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCS(N)(=O)=O ZINC000735883398 584983392 /nfs/dbraw/zinc/98/33/92/584983392.db2.gz IKEAYLXDYYGWIJ-SFYZADRCSA-N 1 2 222.310 -0.616 20 0 BBADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCS(N)(=O)=O ZINC000735883398 584983391 /nfs/dbraw/zinc/98/33/91/584983391.db2.gz IKEAYLXDYYGWIJ-SFYZADRCSA-N 1 2 222.310 -0.616 20 0 BBADLO C[C@H]1C[N@@H+](CCS(N)(=O)=O)[C@@H](C)CO1 ZINC000735883399 584983639 /nfs/dbraw/zinc/98/36/39/584983639.db2.gz IKEAYLXDYYGWIJ-YUMQZZPRSA-N 1 2 222.310 -0.616 20 0 BBADLO C[C@H]1C[N@H+](CCS(N)(=O)=O)[C@@H](C)CO1 ZINC000735883399 584983638 /nfs/dbraw/zinc/98/36/38/584983638.db2.gz IKEAYLXDYYGWIJ-YUMQZZPRSA-N 1 2 222.310 -0.616 20 0 BBADLO CC1(C)C[N@@H+](CCS(N)(=O)=O)CCO1 ZINC000735884347 584983012 /nfs/dbraw/zinc/98/30/12/584983012.db2.gz XZCYUQBATLFMSB-UHFFFAOYSA-N 1 2 222.310 -0.614 20 0 BBADLO CC1(C)C[N@H+](CCS(N)(=O)=O)CCO1 ZINC000735884347 584983011 /nfs/dbraw/zinc/98/30/11/584983011.db2.gz XZCYUQBATLFMSB-UHFFFAOYSA-N 1 2 222.310 -0.614 20 0 BBADLO Cn1cc(C[N@@H+](C)CCS(N)(=O)=O)cn1 ZINC000735884373 584983199 /nfs/dbraw/zinc/98/31/99/584983199.db2.gz ZCEKRBPXKCQUIC-UHFFFAOYSA-N 1 2 232.309 -0.860 20 0 BBADLO Cn1cc(C[N@H+](C)CCS(N)(=O)=O)cn1 ZINC000735884373 584983198 /nfs/dbraw/zinc/98/31/98/584983198.db2.gz ZCEKRBPXKCQUIC-UHFFFAOYSA-N 1 2 232.309 -0.860 20 0 BBADLO C[C@@H]1C[N@@H+](CCS(N)(=O)=O)CC(C)(C)O1 ZINC000735920129 584984412 /nfs/dbraw/zinc/98/44/12/584984412.db2.gz OBBBEAXWBIUGNE-MRVPVSSYSA-N 1 2 236.337 -0.226 20 0 BBADLO C[C@@H]1C[N@H+](CCS(N)(=O)=O)CC(C)(C)O1 ZINC000735920129 584984411 /nfs/dbraw/zinc/98/44/11/584984411.db2.gz OBBBEAXWBIUGNE-MRVPVSSYSA-N 1 2 236.337 -0.226 20 0 BBADLO C[C@H]1C[N@@H+](CCS(N)(=O)=O)CC(C)(C)O1 ZINC000735920131 584984467 /nfs/dbraw/zinc/98/44/67/584984467.db2.gz OBBBEAXWBIUGNE-QMMMGPOBSA-N 1 2 236.337 -0.226 20 0 BBADLO C[C@H]1C[N@H+](CCS(N)(=O)=O)CC(C)(C)O1 ZINC000735920131 584984466 /nfs/dbraw/zinc/98/44/66/584984466.db2.gz OBBBEAXWBIUGNE-QMMMGPOBSA-N 1 2 236.337 -0.226 20 0 BBADLO CCN1C(=O)CN(C[N@H+]2CCCOCC2)C1=O ZINC000736275230 584995355 /nfs/dbraw/zinc/99/53/55/584995355.db2.gz CUKIKKIYJUEMQS-UHFFFAOYSA-N 1 2 241.291 -0.050 20 0 BBADLO CCN1C(=O)CN(C[N@@H+]2CCCOCC2)C1=O ZINC000736275230 584995354 /nfs/dbraw/zinc/99/53/54/584995354.db2.gz CUKIKKIYJUEMQS-UHFFFAOYSA-N 1 2 241.291 -0.050 20 0 BBADLO CCN1C(=O)CN(C[N@@H+](C)CCOC)C1=O ZINC000736275861 584995593 /nfs/dbraw/zinc/99/55/93/584995593.db2.gz MLJUTLADMAOOLB-UHFFFAOYSA-N 1 2 229.280 -0.194 20 0 BBADLO CCN1C(=O)CN(C[N@H+](C)CCOC)C1=O ZINC000736275861 584995592 /nfs/dbraw/zinc/99/55/92/584995592.db2.gz MLJUTLADMAOOLB-UHFFFAOYSA-N 1 2 229.280 -0.194 20 0 BBADLO CC[N@H+]1CCCC[C@@H]1C(=O)NCc1nn[nH]n1 ZINC000736568443 585005822 /nfs/dbraw/zinc/00/58/22/585005822.db2.gz BTFZSJDHHOMQLZ-MRVPVSSYSA-N 1 2 238.295 -0.310 20 0 BBADLO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1nn[nH]n1 ZINC000736568443 585005821 /nfs/dbraw/zinc/00/58/21/585005821.db2.gz BTFZSJDHHOMQLZ-MRVPVSSYSA-N 1 2 238.295 -0.310 20 0 BBADLO CC[N@H+]1CCCC[C@H]1C(=O)NCc1nn[nH]n1 ZINC000736568445 585005894 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CC[N@H+]1CCO[C@H](C(=O)NCC[S@](C)=O)C1 ZINC000742251652 585124380 /nfs/dbraw/zinc/12/43/80/585124380.db2.gz OOMIMVUMBNWAFW-FVMDXXJSSA-N 1 2 248.348 -0.798 20 0 BBADLO CC[N@@H+]1CCO[C@H](C(=O)NCC[S@](C)=O)C1 ZINC000742251652 585124379 /nfs/dbraw/zinc/12/43/79/585124379.db2.gz OOMIMVUMBNWAFW-FVMDXXJSSA-N 1 2 248.348 -0.798 20 0 BBADLO CC[N@H+]1CCO[C@@H](C(=O)NCC[S@@](C)=O)C1 ZINC000742251654 585124521 /nfs/dbraw/zinc/12/45/21/585124521.db2.gz OOMIMVUMBNWAFW-JDNHERCYSA-N 1 2 248.348 -0.798 20 0 BBADLO CC[N@@H+]1CCO[C@@H](C(=O)NCC[S@@](C)=O)C1 ZINC000742251654 585124520 /nfs/dbraw/zinc/12/45/20/585124520.db2.gz OOMIMVUMBNWAFW-JDNHERCYSA-N 1 2 248.348 -0.798 20 0 BBADLO CC[N@H+]1CCO[C@H](C(=O)NCC[S@@](C)=O)C1 ZINC000742251655 585124496 /nfs/dbraw/zinc/12/44/96/585124496.db2.gz OOMIMVUMBNWAFW-XXFAHNHDSA-N 1 2 248.348 -0.798 20 0 BBADLO CC[N@@H+]1CCO[C@H](C(=O)NCC[S@@](C)=O)C1 ZINC000742251655 585124495 /nfs/dbraw/zinc/12/44/95/585124495.db2.gz OOMIMVUMBNWAFW-XXFAHNHDSA-N 1 2 248.348 -0.798 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C[N@@H+]1CCO[C@@H](CNC(=O)c2ncccn2)C1 ZINC000743326532 585135318 /nfs/dbraw/zinc/13/53/18/585135318.db2.gz ZGEYMLDVMOCSEX-VIFPVBQESA-N 1 2 236.275 -0.463 20 0 BBADLO O=C1CC[N@@H+](Cn2cc[nH]c2=S)CCN1 ZINC000743361607 585136130 /nfs/dbraw/zinc/13/61/30/585136130.db2.gz QQRBSXDYCAYGFT-UHFFFAOYSA-N 1 2 226.305 -0.049 20 0 BBADLO O=C1CC[N@H+](Cn2cc[nH]c2=S)CCN1 ZINC000743361607 585136129 /nfs/dbraw/zinc/13/61/29/585136129.db2.gz QQRBSXDYCAYGFT-UHFFFAOYSA-N 1 2 226.305 -0.049 20 0 BBADLO Cc1[nH]c(C(=O)NC[C@H](O)c2cnn(C)c2)c[nH+]1 ZINC000743645419 585138507 /nfs/dbraw/zinc/13/85/07/585138507.db2.gz JWLQBNQWHWPAJE-JTQLQIEISA-N 1 2 249.274 -0.085 20 0 BBADLO Cc1[nH]c(C(=O)NC[C@@H](O)c2cnn(C)c2)c[nH+]1 ZINC000743645425 585138410 /nfs/dbraw/zinc/13/84/10/585138410.db2.gz JWLQBNQWHWPAJE-SNVBAGLBSA-N 1 2 249.274 -0.085 20 0 BBADLO O=C1CN(CCC[NH+]2CCOCC2)CCCN1 ZINC000743844214 585140472 /nfs/dbraw/zinc/14/04/72/585140472.db2.gz LXRKISPEMXYKSV-UHFFFAOYSA-N 1 2 241.335 -0.469 20 0 BBADLO C[N@@H+](CC(=O)NCCS(C)(=O)=O)C1CCC1 ZINC000744410259 585149897 /nfs/dbraw/zinc/14/98/97/585149897.db2.gz XXPFIPXNAZQJQJ-UHFFFAOYSA-N 1 2 248.348 -0.369 20 0 BBADLO C[N@H+](CC(=O)NCCS(C)(=O)=O)C1CCC1 ZINC000744410259 585149896 /nfs/dbraw/zinc/14/98/96/585149896.db2.gz XXPFIPXNAZQJQJ-UHFFFAOYSA-N 1 2 248.348 -0.369 20 0 BBADLO Cn1nnnc1COC(=O)[C@H]1CCCC[N@H+]1C ZINC000745078120 583022405 /nfs/dbraw/zinc/02/24/05/583022405.db2.gz AVMBAXADAILNAL-MRVPVSSYSA-N 1 2 239.279 -0.262 20 0 BBADLO Cn1nnnc1COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745078120 583022403 /nfs/dbraw/zinc/02/24/03/583022403.db2.gz AVMBAXADAILNAL-MRVPVSSYSA-N 1 2 239.279 -0.262 20 0 BBADLO Cn1nnnc1COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745078186 583023175 /nfs/dbraw/zinc/02/31/75/583023175.db2.gz AVMBAXADAILNAL-QMMMGPOBSA-N 1 2 239.279 -0.262 20 0 BBADLO Cn1nnnc1COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745078186 583023174 /nfs/dbraw/zinc/02/31/74/583023174.db2.gz AVMBAXADAILNAL-QMMMGPOBSA-N 1 2 239.279 -0.262 20 0 BBADLO 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20 0 BBADLO C[C@H](OC(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC000745087680 585156468 /nfs/dbraw/zinc/15/64/68/585156468.db2.gz YTVSRPBBFPSLBN-YUMQZZPRSA-N 1 2 214.265 -0.112 20 0 BBADLO C[C@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC000745087680 585156467 /nfs/dbraw/zinc/15/64/67/585156467.db2.gz YTVSRPBBFPSLBN-YUMQZZPRSA-N 1 2 214.265 -0.112 20 0 BBADLO C[NH+]1CCN(C(=O)NCC[S@](C)=O)CC1 ZINC000745844832 585161144 /nfs/dbraw/zinc/16/11/44/585161144.db2.gz KPBNYNTVODBHSR-HNNXBMFYSA-N 1 2 233.337 -0.678 20 0 BBADLO C[NH+]1CCN(C(=O)NCC[S@@](C)=O)CC1 ZINC000745844833 585161092 /nfs/dbraw/zinc/16/10/92/585161092.db2.gz KPBNYNTVODBHSR-OAHLLOKOSA-N 1 2 233.337 -0.678 20 0 BBADLO CC[NH+]1CCN(C(=O)NCC[S@](C)=O)CC1 ZINC000745846916 585161209 /nfs/dbraw/zinc/16/12/09/585161209.db2.gz CKZKMVRMUIWCEK-INIZCTEOSA-N 1 2 247.364 -0.288 20 0 BBADLO CC[NH+]1CCN(C(=O)NCC[S@@](C)=O)CC1 ZINC000745846919 585161098 /nfs/dbraw/zinc/16/10/98/585161098.db2.gz CKZKMVRMUIWCEK-MRXNPFEDSA-N 1 2 247.364 -0.288 20 0 BBADLO 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CC[S@](=O)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000746242681 585166297 /nfs/dbraw/zinc/16/62/97/585166297.db2.gz KDLUVYYYJPLYHY-FVMDXXJSSA-N 1 2 248.348 -0.798 20 0 BBADLO CC[S@@](=O)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000746242682 585166250 /nfs/dbraw/zinc/16/62/50/585166250.db2.gz KDLUVYYYJPLYHY-JDNHERCYSA-N 1 2 248.348 -0.798 20 0 BBADLO CC[S@@](=O)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000746242682 585166249 /nfs/dbraw/zinc/16/62/49/585166249.db2.gz KDLUVYYYJPLYHY-JDNHERCYSA-N 1 2 248.348 -0.798 20 0 BBADLO CC[S@@](=O)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000746242683 585165445 /nfs/dbraw/zinc/16/54/45/585165445.db2.gz KDLUVYYYJPLYHY-XXFAHNHDSA-N 1 2 248.348 -0.798 20 0 BBADLO CC[S@@](=O)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000746242683 585165444 /nfs/dbraw/zinc/16/54/44/585165444.db2.gz KDLUVYYYJPLYHY-XXFAHNHDSA-N 1 2 248.348 -0.798 20 0 BBADLO CCN(CC(=O)NC)C(=O)Cn1cc[nH+]c1 ZINC000746259087 585166697 /nfs/dbraw/zinc/16/66/97/585166697.db2.gz PFJMVVAXVKHHCG-UHFFFAOYSA-N 1 2 224.264 -0.522 20 0 BBADLO NC(=O)C1(NC(=O)Cn2cc[nH+]c2)CCCC1 ZINC000746266024 585166528 /nfs/dbraw/zinc/16/65/28/585166528.db2.gz PRNAAWLKPGLTMG-UHFFFAOYSA-N 1 2 236.275 -0.203 20 0 BBADLO Cc1nonc1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000746275289 585166869 /nfs/dbraw/zinc/16/68/69/585166869.db2.gz DYYQQINRQRFQSC-SECBINFHSA-N 1 2 240.263 -0.675 20 0 BBADLO Cc1nonc1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000746275289 585166868 /nfs/dbraw/zinc/16/68/68/585166868.db2.gz DYYQQINRQRFQSC-SECBINFHSA-N 1 2 240.263 -0.675 20 0 BBADLO Cc1nonc1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000746275290 585166896 /nfs/dbraw/zinc/16/68/96/585166896.db2.gz DYYQQINRQRFQSC-VIFPVBQESA-N 1 2 240.263 -0.675 20 0 BBADLO Cc1nonc1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000746275290 585166895 /nfs/dbraw/zinc/16/68/95/585166895.db2.gz DYYQQINRQRFQSC-VIFPVBQESA-N 1 2 240.263 -0.675 20 0 BBADLO Cc1nonc1CNC(=O)Cn1cc[nH+]c1 ZINC000746275321 585166956 /nfs/dbraw/zinc/16/69/56/585166956.db2.gz FKLXTHWWLSQJIS-UHFFFAOYSA-N 1 2 221.220 -0.109 20 0 BBADLO Cc1nn(C)cc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000746294035 585167177 /nfs/dbraw/zinc/16/71/77/585167177.db2.gz YFYKTHQKZZHZIW-JTQLQIEISA-N 1 2 238.291 -0.002 20 0 BBADLO Cc1nn(C)cc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000746294035 585167176 /nfs/dbraw/zinc/16/71/76/585167176.db2.gz YFYKTHQKZZHZIW-JTQLQIEISA-N 1 2 238.291 -0.002 20 0 BBADLO Cc1nn(C)cc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000746294037 585167214 /nfs/dbraw/zinc/16/72/14/585167214.db2.gz YFYKTHQKZZHZIW-SNVBAGLBSA-N 1 2 238.291 -0.002 20 0 BBADLO Cc1nn(C)cc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000746294037 585167213 /nfs/dbraw/zinc/16/72/13/585167213.db2.gz YFYKTHQKZZHZIW-SNVBAGLBSA-N 1 2 238.291 -0.002 20 0 BBADLO CS(=O)(=O)CC[N@H+]1CCCOCC1 ZINC000746386583 644583361 /nfs/dbraw/zinc/58/33/61/644583361.db2.gz UUJASZDVJRPMDO-UHFFFAOYSA-N 1 2 207.295 -0.247 20 0 BBADLO CS(=O)(=O)CC[N@@H+]1CCCOCC1 ZINC000746386583 644583358 /nfs/dbraw/zinc/58/33/58/644583358.db2.gz UUJASZDVJRPMDO-UHFFFAOYSA-N 1 2 207.295 -0.247 20 0 BBADLO CON(C)C(=O)C[N@H+]1CCOC[C@H]1C ZINC000746498936 584775331 /nfs/dbraw/zinc/77/53/31/584775331.db2.gz DRZPKLMEQLZCOV-MRVPVSSYSA-N 1 2 202.254 -0.273 20 0 BBADLO CON(C)C(=O)C[N@@H+]1CCOC[C@H]1C ZINC000746498936 584775330 /nfs/dbraw/zinc/77/53/30/584775330.db2.gz DRZPKLMEQLZCOV-MRVPVSSYSA-N 1 2 202.254 -0.273 20 0 BBADLO CON(C)C(=O)C[N@H+]1CCOC[C@@H]1C ZINC000746498941 584775214 /nfs/dbraw/zinc/77/52/14/584775214.db2.gz DRZPKLMEQLZCOV-QMMMGPOBSA-N 1 2 202.254 -0.273 20 0 BBADLO CON(C)C(=O)C[N@@H+]1CCOC[C@@H]1C ZINC000746498941 584775213 /nfs/dbraw/zinc/77/52/13/584775213.db2.gz DRZPKLMEQLZCOV-QMMMGPOBSA-N 1 2 202.254 -0.273 20 0 BBADLO O=C(C[NH+]1CCN(CCF)CC1)NC1CC1 ZINC000746498999 584779537 /nfs/dbraw/zinc/77/95/37/584779537.db2.gz BTIVMWHYFIQADJ-UHFFFAOYSA-N 1 2 229.299 -0.148 20 0 BBADLO CON(C)C(=O)C[N@H+]1CCO[C@H](C)C1 ZINC000746499316 585168869 /nfs/dbraw/zinc/16/88/69/585168869.db2.gz HTWASDCAUYOGBQ-MRVPVSSYSA-N 1 2 202.254 -0.273 20 0 BBADLO CON(C)C(=O)C[N@@H+]1CCO[C@H](C)C1 ZINC000746499316 585168868 /nfs/dbraw/zinc/16/88/68/585168868.db2.gz HTWASDCAUYOGBQ-MRVPVSSYSA-N 1 2 202.254 -0.273 20 0 BBADLO CON(C)C(=O)C[N@H+]1CCO[C@@H](C)C1 ZINC000746499317 585168629 /nfs/dbraw/zinc/16/86/29/585168629.db2.gz HTWASDCAUYOGBQ-QMMMGPOBSA-N 1 2 202.254 -0.273 20 0 BBADLO CON(C)C(=O)C[N@@H+]1CCO[C@@H](C)C1 ZINC000746499317 585168628 /nfs/dbraw/zinc/16/86/28/585168628.db2.gz HTWASDCAUYOGBQ-QMMMGPOBSA-N 1 2 202.254 -0.273 20 0 BBADLO CON(C)C(=O)C[N@H+]1CCCN(C(C)=O)CC1 ZINC000746499331 637372400 /nfs/dbraw/zinc/37/24/00/637372400.db2.gz IHZSXFHZVWZNLJ-UHFFFAOYSA-N 1 2 243.307 -0.440 20 0 BBADLO CON(C)C(=O)C[N@@H+]1CCCN(C(C)=O)CC1 ZINC000746499331 637372396 /nfs/dbraw/zinc/37/23/96/637372396.db2.gz IHZSXFHZVWZNLJ-UHFFFAOYSA-N 1 2 243.307 -0.440 20 0 BBADLO CS(=O)(=O)N1CCC[N@@H+](CCF)CC1 ZINC000746500164 585168635 /nfs/dbraw/zinc/16/86/35/585168635.db2.gz SNWZDBVKPSDBHB-UHFFFAOYSA-N 1 2 224.301 -0.077 20 0 BBADLO CS(=O)(=O)N1CCC[N@H+](CCF)CC1 ZINC000746500164 585168634 /nfs/dbraw/zinc/16/86/34/585168634.db2.gz SNWZDBVKPSDBHB-UHFFFAOYSA-N 1 2 224.301 -0.077 20 0 BBADLO CON(C)C(=O)C[N@H+](CC(N)=O)CC(C)C ZINC000746500210 585168872 /nfs/dbraw/zinc/16/88/72/585168872.db2.gz UKONBFYEASKVOH-UHFFFAOYSA-N 1 2 231.296 -0.551 20 0 BBADLO CON(C)C(=O)C[N@@H+](CC(N)=O)CC(C)C ZINC000746500210 585168871 /nfs/dbraw/zinc/16/88/71/585168871.db2.gz UKONBFYEASKVOH-UHFFFAOYSA-N 1 2 231.296 -0.551 20 0 BBADLO CON(C)C(=O)C[N@@H+](CC(N)=O)C(C)C ZINC000746501026 585169199 /nfs/dbraw/zinc/16/91/99/585169199.db2.gz ZBGYESHLHDWJFH-UHFFFAOYSA-N 1 2 217.269 -0.798 20 0 BBADLO CON(C)C(=O)C[N@H+](CC(N)=O)C(C)C ZINC000746501026 585169198 /nfs/dbraw/zinc/16/91/98/585169198.db2.gz ZBGYESHLHDWJFH-UHFFFAOYSA-N 1 2 217.269 -0.798 20 0 BBADLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)N(C)OC ZINC000746502121 585169053 /nfs/dbraw/zinc/16/90/53/585169053.db2.gz DAQIQSVJYOJOII-MRVPVSSYSA-N 1 2 229.280 -0.783 20 0 BBADLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)N(C)OC ZINC000746502121 585169052 /nfs/dbraw/zinc/16/90/52/585169052.db2.gz DAQIQSVJYOJOII-MRVPVSSYSA-N 1 2 229.280 -0.783 20 0 BBADLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)N(C)OC ZINC000746502122 585169328 /nfs/dbraw/zinc/16/93/28/585169328.db2.gz DAQIQSVJYOJOII-QMMMGPOBSA-N 1 2 229.280 -0.783 20 0 BBADLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N(C)OC ZINC000746502122 585169327 /nfs/dbraw/zinc/16/93/27/585169327.db2.gz DAQIQSVJYOJOII-QMMMGPOBSA-N 1 2 229.280 -0.783 20 0 BBADLO CCCC[N@@H+](CC(N)=O)CC(=O)N(C)OC ZINC000746503484 585169075 /nfs/dbraw/zinc/16/90/75/585169075.db2.gz SAQVVHKKPKNSHA-UHFFFAOYSA-N 1 2 231.296 -0.406 20 0 BBADLO CCCC[N@H+](CC(N)=O)CC(=O)N(C)OC ZINC000746503484 585169074 /nfs/dbraw/zinc/16/90/74/585169074.db2.gz SAQVVHKKPKNSHA-UHFFFAOYSA-N 1 2 231.296 -0.406 20 0 BBADLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000746503497 585168406 /nfs/dbraw/zinc/16/84/06/585168406.db2.gz STRXOIBHVUXSCB-MRVPVSSYSA-N 1 2 224.301 -0.031 20 0 BBADLO CS(=O)(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000746503497 585168405 /nfs/dbraw/zinc/16/84/05/585168405.db2.gz STRXOIBHVUXSCB-MRVPVSSYSA-N 1 2 224.301 -0.031 20 0 BBADLO CS(=O)(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000746503504 585168488 /nfs/dbraw/zinc/16/84/88/585168488.db2.gz STRXOIBHVUXSCB-QMMMGPOBSA-N 1 2 224.301 -0.031 20 0 BBADLO CS(=O)(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000746503504 585168487 /nfs/dbraw/zinc/16/84/87/585168487.db2.gz STRXOIBHVUXSCB-QMMMGPOBSA-N 1 2 224.301 -0.031 20 0 BBADLO C[N@@H+](CCF)CC(=O)N1CCOCC1 ZINC000746506453 585169682 /nfs/dbraw/zinc/16/96/82/585169682.db2.gz VNULTYKFNAWRNF-UHFFFAOYSA-N 1 2 204.245 -0.254 20 0 BBADLO C[N@H+](CCF)CC(=O)N1CCOCC1 ZINC000746506453 585169681 /nfs/dbraw/zinc/16/96/81/585169681.db2.gz VNULTYKFNAWRNF-UHFFFAOYSA-N 1 2 204.245 -0.254 20 0 BBADLO CCN(C)C(=O)C[N@@H+](CC)CC(=O)NC ZINC000746650763 585171515 /nfs/dbraw/zinc/17/15/15/585171515.db2.gz IIOYMYAJUSVYHV-UHFFFAOYSA-N 1 2 215.297 -0.467 20 0 BBADLO CCN(C)C(=O)C[N@H+](CC)CC(=O)NC ZINC000746650763 585171514 /nfs/dbraw/zinc/17/15/14/585171514.db2.gz IIOYMYAJUSVYHV-UHFFFAOYSA-N 1 2 215.297 -0.467 20 0 BBADLO Cn1ccnc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000746685706 585172306 /nfs/dbraw/zinc/17/23/06/585172306.db2.gz QGYOOXQZQBLLDD-JTQLQIEISA-N 1 2 249.318 -0.850 20 0 BBADLO Cn1ccnc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000746685707 585172252 /nfs/dbraw/zinc/17/22/52/585172252.db2.gz QGYOOXQZQBLLDD-SNVBAGLBSA-N 1 2 249.318 -0.850 20 0 BBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ncccn1 ZINC000747117248 583338943 /nfs/dbraw/zinc/33/89/43/583338943.db2.gz YEIAIRUUHJFVJQ-JTQLQIEISA-N 1 2 247.302 -0.794 20 0 BBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ncccn1 ZINC000747117251 583338163 /nfs/dbraw/zinc/33/81/63/583338163.db2.gz YEIAIRUUHJFVJQ-SNVBAGLBSA-N 1 2 247.302 -0.794 20 0 BBADLO CC(C)N1CC[C@H]([N@H+]2CCCNC(=O)C2)C1=O ZINC000747530327 585180415 /nfs/dbraw/zinc/18/04/15/585180415.db2.gz XZXMZSXEJBFYDI-JTQLQIEISA-N 1 2 239.319 -0.182 20 0 BBADLO CC(C)N1CC[C@H]([N@@H+]2CCCNC(=O)C2)C1=O ZINC000747530327 585180414 /nfs/dbraw/zinc/18/04/14/585180414.db2.gz XZXMZSXEJBFYDI-JTQLQIEISA-N 1 2 239.319 -0.182 20 0 BBADLO CC(C)N1CC[C@@H]([N@H+]2CCCNC(=O)C2)C1=O ZINC000747530328 585180383 /nfs/dbraw/zinc/18/03/83/585180383.db2.gz XZXMZSXEJBFYDI-SNVBAGLBSA-N 1 2 239.319 -0.182 20 0 BBADLO CC(C)N1CC[C@@H]([N@@H+]2CCCNC(=O)C2)C1=O ZINC000747530328 585180382 /nfs/dbraw/zinc/18/03/82/585180382.db2.gz XZXMZSXEJBFYDI-SNVBAGLBSA-N 1 2 239.319 -0.182 20 0 BBADLO CCN(CC(=O)NC)c1[nH+]cnc2c1cnn2C ZINC000747620931 644586118 /nfs/dbraw/zinc/58/61/18/644586118.db2.gz HTOLRDNJUDRHPH-UHFFFAOYSA-N 1 2 248.290 -0.064 20 0 BBADLO NC(=O)CCNC(=O)c1cccc2[nH+]ccn21 ZINC000747650071 585181920 /nfs/dbraw/zinc/18/19/20/585181920.db2.gz DWTUXVZINYHPTN-UHFFFAOYSA-N 1 2 232.243 -0.061 20 0 BBADLO Cn1nccc1C(=O)OCC[NH+]1CCOCC1 ZINC000747692334 585182498 /nfs/dbraw/zinc/18/24/98/585182498.db2.gz DBZKMRXAMDSNGX-UHFFFAOYSA-N 1 2 239.275 -0.091 20 0 BBADLO O=C(OCC[NH+]1CCOCC1)[C@H]1CCOC1 ZINC000747693971 585182587 /nfs/dbraw/zinc/18/25/87/585182587.db2.gz PFUATSFBAIIKKW-JTQLQIEISA-N 1 2 229.276 -0.102 20 0 BBADLO O=C(OCC[NH+]1CCOCC1)[C@@H]1CCOC1 ZINC000747693972 585182406 /nfs/dbraw/zinc/18/24/06/585182406.db2.gz PFUATSFBAIIKKW-SNVBAGLBSA-N 1 2 229.276 -0.102 20 0 BBADLO O=C(OCC[NH+]1CCOCC1)C1(O)CCC1 ZINC000747696465 585182395 /nfs/dbraw/zinc/18/23/95/585182395.db2.gz YJNNLCYBLABLHT-UHFFFAOYSA-N 1 2 229.276 -0.223 20 0 BBADLO O=C(OCC[NH+]1CCOCC1)[C@@H](O)C1CC1 ZINC000747699822 585182505 /nfs/dbraw/zinc/18/25/05/585182505.db2.gz HAICPNASPCAUJV-JTQLQIEISA-N 1 2 229.276 -0.367 20 0 BBADLO O=C(OCC[NH+]1CCOCC1)[C@H](O)C1CC1 ZINC000747699835 585182594 /nfs/dbraw/zinc/18/25/94/585182594.db2.gz HAICPNASPCAUJV-SNVBAGLBSA-N 1 2 229.276 -0.367 20 0 BBADLO COCCC(=O)OCC[NH+]1CCOCC1 ZINC000747700607 585182500 /nfs/dbraw/zinc/18/25/00/585182500.db2.gz USASWNNOJCQNSV-UHFFFAOYSA-N 1 2 217.265 -0.102 20 0 BBADLO NC(=O)C1(C(=O)OCC[NH+]2CCOCC2)CC1 ZINC000747700951 585182408 /nfs/dbraw/zinc/18/24/08/585182408.db2.gz KRTOWKQQOXKZKD-UHFFFAOYSA-N 1 2 242.275 -0.873 20 0 BBADLO CC(C)(O)C(=O)OCC[NH+]1CCOCC1 ZINC000747700953 585182446 /nfs/dbraw/zinc/18/24/46/585182446.db2.gz WSIIVOCSDKCVBA-UHFFFAOYSA-N 1 2 217.265 -0.367 20 0 BBADLO COC[C@@](C)(O)C(=O)OCC[NH+]1CCOCC1 ZINC000747708778 585182748 /nfs/dbraw/zinc/18/27/48/585182748.db2.gz FAFDEXFKHKARJA-LLVKDONJSA-N 1 2 247.291 -0.741 20 0 BBADLO COC[C@](C)(O)C(=O)OCC[NH+]1CCOCC1 ZINC000747708779 585182755 /nfs/dbraw/zinc/18/27/55/585182755.db2.gz FAFDEXFKHKARJA-NSHDSACASA-N 1 2 247.291 -0.741 20 0 BBADLO NC(CN1CCOCC1)=[NH+]OC[C@H]1CCOC1 ZINC000747835502 585184911 /nfs/dbraw/zinc/18/49/11/585184911.db2.gz HHHFCXRTBCXUMZ-JTQLQIEISA-N 1 2 243.307 -0.146 20 0 BBADLO NC(CN1CCOCC1)=[NH+]OC[C@@H]1CCOC1 ZINC000747835503 585185034 /nfs/dbraw/zinc/18/50/34/585185034.db2.gz HHHFCXRTBCXUMZ-SNVBAGLBSA-N 1 2 243.307 -0.146 20 0 BBADLO C/C=C\C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000747920741 585185985 /nfs/dbraw/zinc/18/59/85/585185985.db2.gz DODORPVOKHUKBO-PLNGDYQASA-N 1 2 239.319 -0.029 20 0 BBADLO C/C=C/C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000747920742 585185796 /nfs/dbraw/zinc/18/57/96/585185796.db2.gz DODORPVOKHUKBO-SNAWJCMRSA-N 1 2 239.319 -0.029 20 0 BBADLO COC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000747920809 585186001 /nfs/dbraw/zinc/18/60/01/585186001.db2.gz GHDCPLMVGFADPI-UHFFFAOYSA-N 1 2 229.280 -0.366 20 0 BBADLO C[C@@H]1C[NH+]=C(N2CCN(CC(N)=O)CC2)S1 ZINC000748046883 585186759 /nfs/dbraw/zinc/18/67/59/585186759.db2.gz VFBNRBVGDPEZSQ-MRVPVSSYSA-N 1 2 242.348 -0.419 20 0 BBADLO C[C@H]1C[NH+]=C(N2CCN(CC(N)=O)CC2)S1 ZINC000748046884 585186783 /nfs/dbraw/zinc/18/67/83/585186783.db2.gz VFBNRBVGDPEZSQ-QMMMGPOBSA-N 1 2 242.348 -0.419 20 0 BBADLO COC(=O)c1ncn(C[N@H+]2CCCOCC2)n1 ZINC000748070718 585186881 /nfs/dbraw/zinc/18/68/81/585186881.db2.gz WZRKSVZGSUBBTA-UHFFFAOYSA-N 1 2 240.263 -0.256 20 0 BBADLO COC(=O)c1ncn(C[N@@H+]2CCCOCC2)n1 ZINC000748070718 585186880 /nfs/dbraw/zinc/18/68/80/585186880.db2.gz WZRKSVZGSUBBTA-UHFFFAOYSA-N 1 2 240.263 -0.256 20 0 BBADLO COC(=O)c1cn(C[N@H+]2CCCOCC2)nn1 ZINC000748070926 585186862 /nfs/dbraw/zinc/18/68/62/585186862.db2.gz YLRVCNRRXXIPGQ-UHFFFAOYSA-N 1 2 240.263 -0.256 20 0 BBADLO COC(=O)c1cn(C[N@@H+]2CCCOCC2)nn1 ZINC000748070926 585186861 /nfs/dbraw/zinc/18/68/61/585186861.db2.gz YLRVCNRRXXIPGQ-UHFFFAOYSA-N 1 2 240.263 -0.256 20 0 BBADLO COC(=O)N(C)CC(=O)NCc1c[nH]c[nH+]1 ZINC000748321531 585190871 /nfs/dbraw/zinc/19/08/71/585190871.db2.gz FESPUBUYVRLQAA-UHFFFAOYSA-N 1 2 226.236 -0.276 20 0 BBADLO COC(=O)N(C)CC(=O)NCc1c[nH+]c[nH]1 ZINC000748321531 585190870 /nfs/dbraw/zinc/19/08/70/585190870.db2.gz FESPUBUYVRLQAA-UHFFFAOYSA-N 1 2 226.236 -0.276 20 0 BBADLO CCOC(=O)NCC(=O)NCc1c[nH]c[nH+]1 ZINC000748321625 585190751 /nfs/dbraw/zinc/19/07/51/585190751.db2.gz GYHVVHSCFSMBEP-UHFFFAOYSA-N 1 2 226.236 -0.228 20 0 BBADLO CCOC(=O)NCC(=O)NCc1c[nH+]c[nH]1 ZINC000748321625 585190750 /nfs/dbraw/zinc/19/07/50/585190750.db2.gz GYHVVHSCFSMBEP-UHFFFAOYSA-N 1 2 226.236 -0.228 20 0 BBADLO O=C(CCN1CCOC1=O)NCc1c[nH]c[nH+]1 ZINC000748322079 585190665 /nfs/dbraw/zinc/19/06/65/585190665.db2.gz JAVARNTUHANGMB-UHFFFAOYSA-N 1 2 238.247 -0.132 20 0 BBADLO O=C(CCN1CCOC1=O)NCc1c[nH+]c[nH]1 ZINC000748322079 585190664 /nfs/dbraw/zinc/19/06/64/585190664.db2.gz JAVARNTUHANGMB-UHFFFAOYSA-N 1 2 238.247 -0.132 20 0 BBADLO C[C@@H]1CN(C(=O)CCS(C)(=O)=O)CC[N@H+]1C ZINC000748345143 585191049 /nfs/dbraw/zinc/19/10/49/585191049.db2.gz KBWJZXPAPZCPBV-SECBINFHSA-N 1 2 248.348 -0.416 20 0 BBADLO C[C@@H]1CN(C(=O)CCS(C)(=O)=O)CC[N@@H+]1C ZINC000748345143 585191048 /nfs/dbraw/zinc/19/10/48/585191048.db2.gz KBWJZXPAPZCPBV-SECBINFHSA-N 1 2 248.348 -0.416 20 0 BBADLO C[C@H]1CN(C(=O)CCS(C)(=O)=O)CC[N@H+]1C ZINC000748345144 585190931 /nfs/dbraw/zinc/19/09/31/585190931.db2.gz KBWJZXPAPZCPBV-VIFPVBQESA-N 1 2 248.348 -0.416 20 0 BBADLO C[C@H]1CN(C(=O)CCS(C)(=O)=O)CC[N@@H+]1C ZINC000748345144 585190930 /nfs/dbraw/zinc/19/09/30/585190930.db2.gz KBWJZXPAPZCPBV-VIFPVBQESA-N 1 2 248.348 -0.416 20 0 BBADLO O=C(CC[NH+]1CCOCC1)NCc1c[nH]nn1 ZINC000748415821 585192778 /nfs/dbraw/zinc/19/27/78/585192778.db2.gz CYUIIIIZHMVQQZ-UHFFFAOYSA-N 1 2 239.279 -0.857 20 0 BBADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N(C)C)C1 ZINC000748454020 585193107 /nfs/dbraw/zinc/19/31/07/585193107.db2.gz BMHFBMGETVPXBQ-SECBINFHSA-N 1 2 244.291 -0.662 20 0 BBADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N(C)C)C1 ZINC000748454020 585193106 /nfs/dbraw/zinc/19/31/06/585193106.db2.gz BMHFBMGETVPXBQ-SECBINFHSA-N 1 2 244.291 -0.662 20 0 BBADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N(C)C)C1 ZINC000748454027 585192915 /nfs/dbraw/zinc/19/29/15/585192915.db2.gz BMHFBMGETVPXBQ-VIFPVBQESA-N 1 2 244.291 -0.662 20 0 BBADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N(C)C)C1 ZINC000748454027 585192914 /nfs/dbraw/zinc/19/29/14/585192914.db2.gz BMHFBMGETVPXBQ-VIFPVBQESA-N 1 2 244.291 -0.662 20 0 BBADLO CCNC(=O)COC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000748454068 585192932 /nfs/dbraw/zinc/19/29/32/585192932.db2.gz BPWSZMOSCOUWOZ-SECBINFHSA-N 1 2 244.291 -0.614 20 0 BBADLO CCNC(=O)COC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000748454068 585192931 /nfs/dbraw/zinc/19/29/31/585192931.db2.gz BPWSZMOSCOUWOZ-SECBINFHSA-N 1 2 244.291 -0.614 20 0 BBADLO CCNC(=O)COC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000748454074 585193073 /nfs/dbraw/zinc/19/30/73/585193073.db2.gz BPWSZMOSCOUWOZ-VIFPVBQESA-N 1 2 244.291 -0.614 20 0 BBADLO CCNC(=O)COC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000748454074 585193072 /nfs/dbraw/zinc/19/30/72/585193072.db2.gz BPWSZMOSCOUWOZ-VIFPVBQESA-N 1 2 244.291 -0.614 20 0 BBADLO CC[N@H+]1CCO[C@@H](C(=O)OCCOC)C1 ZINC000748455603 585192980 /nfs/dbraw/zinc/19/29/80/585192980.db2.gz FUZKYXQWHLOMNI-SECBINFHSA-N 1 2 217.265 -0.103 20 0 BBADLO CC[N@@H+]1CCO[C@@H](C(=O)OCCOC)C1 ZINC000748455603 585192979 /nfs/dbraw/zinc/19/29/79/585192979.db2.gz FUZKYXQWHLOMNI-SECBINFHSA-N 1 2 217.265 -0.103 20 0 BBADLO CC[N@H+]1CCO[C@H](C(=O)OCCOC)C1 ZINC000748455606 585192992 /nfs/dbraw/zinc/19/29/92/585192992.db2.gz FUZKYXQWHLOMNI-VIFPVBQESA-N 1 2 217.265 -0.103 20 0 BBADLO CC[N@@H+]1CCO[C@H](C(=O)OCCOC)C1 ZINC000748455606 585192991 /nfs/dbraw/zinc/19/29/91/585192991.db2.gz FUZKYXQWHLOMNI-VIFPVBQESA-N 1 2 217.265 -0.103 20 0 BBADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(C)=O)C1 ZINC000748455972 585193056 /nfs/dbraw/zinc/19/30/56/585193056.db2.gz ICQZZYHJZIRDCG-SECBINFHSA-N 1 2 215.249 -0.161 20 0 BBADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(C)=O)C1 ZINC000748455972 585193055 /nfs/dbraw/zinc/19/30/55/585193055.db2.gz ICQZZYHJZIRDCG-SECBINFHSA-N 1 2 215.249 -0.161 20 0 BBADLO CC[N@H+]1CCO[C@H](C(=O)OCC(C)=O)C1 ZINC000748455974 585192926 /nfs/dbraw/zinc/19/29/26/585192926.db2.gz ICQZZYHJZIRDCG-VIFPVBQESA-N 1 2 215.249 -0.161 20 0 BBADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(C)=O)C1 ZINC000748455974 585192925 /nfs/dbraw/zinc/19/29/25/585192925.db2.gz ICQZZYHJZIRDCG-VIFPVBQESA-N 1 2 215.249 -0.161 20 0 BBADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H](C)C(N)=O)C1 ZINC000748456006 585193021 /nfs/dbraw/zinc/19/30/21/585193021.db2.gz IFTSVLNBTZLSDL-HTQZYQBOSA-N 1 2 230.264 -0.876 20 0 BBADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H](C)C(N)=O)C1 ZINC000748456006 585193020 /nfs/dbraw/zinc/19/30/20/585193020.db2.gz IFTSVLNBTZLSDL-HTQZYQBOSA-N 1 2 230.264 -0.876 20 0 BBADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(N)=O)C1 ZINC000748456008 585192871 /nfs/dbraw/zinc/19/28/71/585192871.db2.gz IFTSVLNBTZLSDL-JGVFFNPUSA-N 1 2 230.264 -0.876 20 0 BBADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(N)=O)C1 ZINC000748456008 585192870 /nfs/dbraw/zinc/19/28/70/585192870.db2.gz IFTSVLNBTZLSDL-JGVFFNPUSA-N 1 2 230.264 -0.876 20 0 BBADLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C)C(N)=O)C1 ZINC000748456492 585193081 /nfs/dbraw/zinc/19/30/81/585193081.db2.gz IFTSVLNBTZLSDL-SFYZADRCSA-N 1 2 230.264 -0.876 20 0 BBADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C)C(N)=O)C1 ZINC000748456492 585193080 /nfs/dbraw/zinc/19/30/80/585193080.db2.gz IFTSVLNBTZLSDL-SFYZADRCSA-N 1 2 230.264 -0.876 20 0 BBADLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C)C(N)=O)C1 ZINC000748456493 585192897 /nfs/dbraw/zinc/19/28/97/585192897.db2.gz IFTSVLNBTZLSDL-YUMQZZPRSA-N 1 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234.321 -0.759 20 0 BBADLO C[N@@H+]1CCC[C@@H]1C(=O)NCCS(C)(=O)=O ZINC000748564641 585193960 /nfs/dbraw/zinc/19/39/60/585193960.db2.gz SEBMYFUHWKFBDP-MRVPVSSYSA-N 1 2 234.321 -0.759 20 0 BBADLO C[N@H+]1CCC[C@H]1C(=O)NCCS(C)(=O)=O ZINC000748564646 585193956 /nfs/dbraw/zinc/19/39/56/585193956.db2.gz SEBMYFUHWKFBDP-QMMMGPOBSA-N 1 2 234.321 -0.759 20 0 BBADLO C[N@@H+]1CCC[C@H]1C(=O)NCCS(C)(=O)=O ZINC000748564646 585193955 /nfs/dbraw/zinc/19/39/55/585193955.db2.gz SEBMYFUHWKFBDP-QMMMGPOBSA-N 1 2 234.321 -0.759 20 0 BBADLO CC[NH+]1CCN(CC(=O)NOCCOC)CC1 ZINC000748771459 585195472 /nfs/dbraw/zinc/19/54/72/585195472.db2.gz MHRZTYKZEHMQAZ-UHFFFAOYSA-N 1 2 245.323 -0.682 20 0 BBADLO COCCONC(=O)CC[NH+]1CCOCC1 ZINC000748773576 585195585 /nfs/dbraw/zinc/19/55/85/585195585.db2.gz FJIZKMWGUMXDNQ-UHFFFAOYSA-N 1 2 232.280 -0.597 20 0 BBADLO COC(=O)/C(C)=C\C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000748814770 585196712 /nfs/dbraw/zinc/19/67/12/585196712.db2.gz GECCOSXZZVLWII-CHDHTGKKSA-N 1 2 242.275 -0.708 20 0 BBADLO COC(=O)/C(C)=C\C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000748814770 585196711 /nfs/dbraw/zinc/19/67/11/585196711.db2.gz GECCOSXZZVLWII-CHDHTGKKSA-N 1 2 242.275 -0.708 20 0 BBADLO COC(=O)/C(C)=C/C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000748814771 585196747 /nfs/dbraw/zinc/19/67/47/585196747.db2.gz GECCOSXZZVLWII-IPQKIJNHSA-N 1 2 242.275 -0.708 20 0 BBADLO COC(=O)/C(C)=C/C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000748814771 585196746 /nfs/dbraw/zinc/19/67/46/585196746.db2.gz GECCOSXZZVLWII-IPQKIJNHSA-N 1 2 242.275 -0.708 20 0 BBADLO COC(=O)/C(C)=C\C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000748814772 585196830 /nfs/dbraw/zinc/19/68/30/585196830.db2.gz GECCOSXZZVLWII-PTDYZRSTSA-N 1 2 242.275 -0.708 20 0 BBADLO COC(=O)/C(C)=C\C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000748814772 585196829 /nfs/dbraw/zinc/19/68/29/585196829.db2.gz GECCOSXZZVLWII-PTDYZRSTSA-N 1 2 242.275 -0.708 20 0 BBADLO COC(=O)/C(C)=C/C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000748814773 585196631 /nfs/dbraw/zinc/19/66/31/585196631.db2.gz GECCOSXZZVLWII-QZGLAHODSA-N 1 2 242.275 -0.708 20 0 BBADLO COC(=O)/C(C)=C/C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000748814773 585196630 /nfs/dbraw/zinc/19/66/30/585196630.db2.gz GECCOSXZZVLWII-QZGLAHODSA-N 1 2 242.275 -0.708 20 0 BBADLO COCCONC(=O)NCC[NH+]1CCOCC1 ZINC000748995466 585197832 /nfs/dbraw/zinc/19/78/32/585197832.db2.gz UNASIVXFTNDGOE-UHFFFAOYSA-N 1 2 247.295 -0.804 20 0 BBADLO C/C=C\C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000749397955 644593103 /nfs/dbraw/zinc/59/31/03/644593103.db2.gz VTMMQKXKXVIPTD-IHWYPQMZSA-N 1 2 249.318 -0.002 20 0 BBADLO C/C=C/C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000749397956 644592795 /nfs/dbraw/zinc/59/27/95/644592795.db2.gz VTMMQKXKXVIPTD-NSCUHMNNSA-N 1 2 249.318 -0.002 20 0 BBADLO NC(=O)C1([NH2+]Cc2nccc(N)n2)CCCC1 ZINC000749522641 585203555 /nfs/dbraw/zinc/20/35/55/585203555.db2.gz DVDILUUIUMWYLX-UHFFFAOYSA-N 1 2 235.291 -0.054 20 0 BBADLO NS(=O)(=O)CC[N@H+]1CCOCC12CCC2 ZINC000749543410 585203752 /nfs/dbraw/zinc/20/37/52/585203752.db2.gz BNCJNXHLNJLOMH-UHFFFAOYSA-N 1 2 234.321 -0.470 20 0 BBADLO NS(=O)(=O)CC[N@@H+]1CCOCC12CCC2 ZINC000749543410 585203751 /nfs/dbraw/zinc/20/37/51/585203751.db2.gz BNCJNXHLNJLOMH-UHFFFAOYSA-N 1 2 234.321 -0.470 20 0 BBADLO CNC(=O)C1([NH2+]Cc2ncnn2C)CCCC1 ZINC000750045298 585209606 /nfs/dbraw/zinc/20/96/06/585209606.db2.gz OYPLGTSLRCUKGG-UHFFFAOYSA-N 1 2 237.307 -0.037 20 0 BBADLO CCS(=O)(=O)CCNC(=O)[C@H](C)[NH+](C)C ZINC000750194429 585212172 /nfs/dbraw/zinc/21/21/72/585212172.db2.gz COLSZJNRPKPXMS-QMMMGPOBSA-N 1 2 236.337 -0.513 20 0 BBADLO C[C@@H](C(=O)N(C)CCS(C)(=O)=O)[NH+](C)C ZINC000750611566 585217763 /nfs/dbraw/zinc/21/77/63/585217763.db2.gz FMHYWKAVROBEGZ-QMMMGPOBSA-N 1 2 236.337 -0.561 20 0 BBADLO CCN1CC[NH+](CCC(=O)NOC)CC1 ZINC000750665974 585218259 /nfs/dbraw/zinc/21/82/59/585218259.db2.gz NFWMKJRLCNBMNR-UHFFFAOYSA-N 1 2 215.297 -0.308 20 0 BBADLO CCCCOC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000750838127 585220373 /nfs/dbraw/zinc/22/03/73/585220373.db2.gz 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585220460 /nfs/dbraw/zinc/22/04/60/585220460.db2.gz USWYBNBDKTXBHR-XHNCKOQMSA-N 1 2 217.265 -0.635 20 0 BBADLO CCCOC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000750838954 585220459 /nfs/dbraw/zinc/22/04/59/585220459.db2.gz USWYBNBDKTXBHR-XHNCKOQMSA-N 1 2 217.265 -0.635 20 0 BBADLO O=C(CC[NH+]1CCOCC1)NC1=NCCS1 ZINC000750863379 585220821 /nfs/dbraw/zinc/22/08/21/585220821.db2.gz ATLLUEPCYIIIMQ-UHFFFAOYSA-N 1 2 243.332 -0.072 20 0 BBADLO CCONC(=O)CC[NH+]1CCOCC1 ZINC000750866176 585220771 /nfs/dbraw/zinc/22/07/71/585220771.db2.gz UMHOLRLMFLFGIP-UHFFFAOYSA-N 1 2 202.254 -0.224 20 0 BBADLO CCOCCNC(=S)NN1CC[NH+](C)CC1 ZINC000750976315 585223111 /nfs/dbraw/zinc/22/31/11/585223111.db2.gz VANBJEHFXHTAOO-UHFFFAOYSA-N 1 2 246.380 -0.351 20 0 BBADLO CNC(=S)NCC[N@H+]1CCO[C@H](C)C1 ZINC000751017013 585223327 /nfs/dbraw/zinc/22/33/27/585223327.db2.gz UNMZTIXDYXNCIC-MRVPVSSYSA-N 1 2 217.338 -0.199 20 0 BBADLO CNC(=S)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000751017013 585223326 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ZINC000752955522 585251821 /nfs/dbraw/zinc/25/18/21/585251821.db2.gz QYAHQTJYASWRDU-JTQLQIEISA-N 1 2 241.316 -0.096 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)[C@@]1(O)CCSC1 ZINC000752955533 585251858 /nfs/dbraw/zinc/25/18/58/585251858.db2.gz QYAHQTJYASWRDU-SNVBAGLBSA-N 1 2 241.316 -0.096 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CSC(=O)N1 ZINC000752955716 585251792 /nfs/dbraw/zinc/25/17/92/585251792.db2.gz SXEADRDLWASBAQ-SSDOTTSWSA-N 1 2 240.288 -0.139 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CSC(=O)N1 ZINC000752955728 585251803 /nfs/dbraw/zinc/25/18/03/585251803.db2.gz SXEADRDLWASBAQ-ZETCQYMHSA-N 1 2 240.288 -0.139 20 0 BBADLO CC(=O)OC1CC[NH+](Cc2nnnn2C)CC1 ZINC000753188017 585255026 /nfs/dbraw/zinc/25/50/26/585255026.db2.gz LGUKUBVWZSZOIT-UHFFFAOYSA-N 1 2 239.279 -0.262 20 0 BBADLO CC[N@@H+](CCS(C)(=O)=O)[C@@H]1CCCNC1=O ZINC000753203554 585255250 /nfs/dbraw/zinc/25/52/50/585255250.db2.gz LQTFIIMECNCPTL-SECBINFHSA-N 1 2 248.348 -0.369 20 0 BBADLO CC[N@H+](CCS(C)(=O)=O)[C@@H]1CCCNC1=O ZINC000753203554 585255249 /nfs/dbraw/zinc/25/52/49/585255249.db2.gz LQTFIIMECNCPTL-SECBINFHSA-N 1 2 248.348 -0.369 20 0 BBADLO CC[N@@H+](CCS(C)(=O)=O)[C@H]1CCCNC1=O ZINC000753203557 585255232 /nfs/dbraw/zinc/25/52/32/585255232.db2.gz LQTFIIMECNCPTL-VIFPVBQESA-N 1 2 248.348 -0.369 20 0 BBADLO CC[N@H+](CCS(C)(=O)=O)[C@H]1CCCNC1=O ZINC000753203557 585255231 /nfs/dbraw/zinc/25/52/31/585255231.db2.gz LQTFIIMECNCPTL-VIFPVBQESA-N 1 2 248.348 -0.369 20 0 BBADLO CC[N@@H+](CCn1cncn1)CCS(C)(=O)=O ZINC000753204487 585255380 /nfs/dbraw/zinc/25/53/80/585255380.db2.gz SKVKJZUZKVFPHB-UHFFFAOYSA-N 1 2 246.336 -0.355 20 0 BBADLO CC[N@H+](CCn1cncn1)CCS(C)(=O)=O ZINC000753204487 585255379 /nfs/dbraw/zinc/25/53/79/585255379.db2.gz SKVKJZUZKVFPHB-UHFFFAOYSA-N 1 2 246.336 -0.355 20 0 BBADLO CCOCCNC(=O)C[N@@H+](CC)CC(=O)NC ZINC000753407406 583993117 /nfs/dbraw/zinc/99/31/17/583993117.db2.gz FUNOZZMKRJMVRN-UHFFFAOYSA-N 1 2 245.323 -0.793 20 0 BBADLO CCOCCNC(=O)C[N@H+](CC)CC(=O)NC ZINC000753407406 583993115 /nfs/dbraw/zinc/99/31/15/583993115.db2.gz FUNOZZMKRJMVRN-UHFFFAOYSA-N 1 2 245.323 -0.793 20 0 BBADLO CON(C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000753452404 585259169 /nfs/dbraw/zinc/25/91/69/585259169.db2.gz LUZCDXBFOOSMLO-SECBINFHSA-N 1 2 231.296 -0.090 20 0 BBADLO CON(C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000753452404 585259168 /nfs/dbraw/zinc/25/91/68/585259168.db2.gz LUZCDXBFOOSMLO-SECBINFHSA-N 1 2 231.296 -0.090 20 0 BBADLO CON(C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000753452406 585259033 /nfs/dbraw/zinc/25/90/33/585259033.db2.gz LUZCDXBFOOSMLO-VIFPVBQESA-N 1 2 231.296 -0.090 20 0 BBADLO CON(C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000753452406 585259032 /nfs/dbraw/zinc/25/90/32/585259032.db2.gz LUZCDXBFOOSMLO-VIFPVBQESA-N 1 2 231.296 -0.090 20 0 BBADLO CCONC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000753800082 585269331 /nfs/dbraw/zinc/26/93/31/585269331.db2.gz ATXNAODFWWTGBR-SECBINFHSA-N 1 2 231.296 -0.042 20 0 BBADLO CCONC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000753800082 585269330 /nfs/dbraw/zinc/26/93/30/585269330.db2.gz ATXNAODFWWTGBR-SECBINFHSA-N 1 2 231.296 -0.042 20 0 BBADLO CCONC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000753800095 585269499 /nfs/dbraw/zinc/26/94/99/585269499.db2.gz ATXNAODFWWTGBR-VIFPVBQESA-N 1 2 231.296 -0.042 20 0 BBADLO CCONC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000753800095 585269498 /nfs/dbraw/zinc/26/94/98/585269498.db2.gz ATXNAODFWWTGBR-VIFPVBQESA-N 1 2 231.296 -0.042 20 0 BBADLO CO[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@@H]1OC ZINC000753808164 585269872 /nfs/dbraw/zinc/26/98/72/585269872.db2.gz MBCCWPARZJNADA-DTORHVGOSA-N 1 2 237.321 -0.623 20 0 BBADLO CO[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@@H]1OC ZINC000753808164 585269871 /nfs/dbraw/zinc/26/98/71/585269871.db2.gz MBCCWPARZJNADA-DTORHVGOSA-N 1 2 237.321 -0.623 20 0 BBADLO CO[C@@H]1C[N@H+]([C@@H]2CCOC2=O)C[C@@H]1OC ZINC000753808237 585269966 /nfs/dbraw/zinc/26/99/66/585269966.db2.gz ZLWUFFBRVWBMHM-HLTSFMKQSA-N 1 2 215.249 -0.353 20 0 BBADLO CO[C@@H]1C[N@@H+]([C@@H]2CCOC2=O)C[C@@H]1OC ZINC000753808237 585269965 /nfs/dbraw/zinc/26/99/65/585269965.db2.gz ZLWUFFBRVWBMHM-HLTSFMKQSA-N 1 2 215.249 -0.353 20 0 BBADLO CO[C@@H]1C[N@H+]([C@H]2CCOC2=O)C[C@@H]1OC ZINC000753808242 585269920 /nfs/dbraw/zinc/26/99/20/585269920.db2.gz ZLWUFFBRVWBMHM-XHNCKOQMSA-N 1 2 215.249 -0.353 20 0 BBADLO CO[C@@H]1C[N@@H+]([C@H]2CCOC2=O)C[C@@H]1OC ZINC000753808242 585269919 /nfs/dbraw/zinc/26/99/19/585269919.db2.gz ZLWUFFBRVWBMHM-XHNCKOQMSA-N 1 2 215.249 -0.353 20 0 BBADLO CONC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000753825263 585270576 /nfs/dbraw/zinc/27/05/76/585270576.db2.gz PKVNXSXBVOTZAA-MRVPVSSYSA-N 1 2 217.269 -0.432 20 0 BBADLO CONC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000753825263 585270575 /nfs/dbraw/zinc/27/05/75/585270575.db2.gz PKVNXSXBVOTZAA-MRVPVSSYSA-N 1 2 217.269 -0.432 20 0 BBADLO CONC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000753825264 585270744 /nfs/dbraw/zinc/27/07/44/585270744.db2.gz PKVNXSXBVOTZAA-QMMMGPOBSA-N 1 2 217.269 -0.432 20 0 BBADLO CONC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000753825264 585270743 /nfs/dbraw/zinc/27/07/43/585270743.db2.gz PKVNXSXBVOTZAA-QMMMGPOBSA-N 1 2 217.269 -0.432 20 0 BBADLO CONC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000753826325 585270513 /nfs/dbraw/zinc/27/05/13/585270513.db2.gz PUZFYRLOETXGSO-UHFFFAOYSA-N 1 2 231.296 -0.042 20 0 BBADLO CONC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000753826325 585270512 /nfs/dbraw/zinc/27/05/12/585270512.db2.gz PUZFYRLOETXGSO-UHFFFAOYSA-N 1 2 231.296 -0.042 20 0 BBADLO C[C@H]1COC(C)(C)C[N@H+]1CCS(N)(=O)=O ZINC000753847872 585270923 /nfs/dbraw/zinc/27/09/23/585270923.db2.gz XDJSEMXMWNRMAA-QMMMGPOBSA-N 1 2 236.337 -0.226 20 0 BBADLO C[C@H]1COC(C)(C)C[N@@H+]1CCS(N)(=O)=O ZINC000753847872 585270922 /nfs/dbraw/zinc/27/09/22/585270922.db2.gz XDJSEMXMWNRMAA-QMMMGPOBSA-N 1 2 236.337 -0.226 20 0 BBADLO COC[C@@](C)([NH2+]CCCNC(C)=O)C(=O)OC ZINC000754086610 585277808 /nfs/dbraw/zinc/27/78/08/585277808.db2.gz BYKGDXZGYSKKPP-LLVKDONJSA-N 1 2 246.307 -0.320 20 0 BBADLO COC[C@](C)([NH2+]CCCNC(C)=O)C(=O)OC ZINC000754086611 585277701 /nfs/dbraw/zinc/27/77/01/585277701.db2.gz BYKGDXZGYSKKPP-NSHDSACASA-N 1 2 246.307 -0.320 20 0 BBADLO C[C@@H]1CCOCC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000754166830 585279615 /nfs/dbraw/zinc/27/96/15/585279615.db2.gz OFYNDIDZJKYVHS-MRVPVSSYSA-N 1 2 226.280 -0.281 20 0 BBADLO C[C@@H]1CCOCC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000754166830 585279614 /nfs/dbraw/zinc/27/96/14/585279614.db2.gz OFYNDIDZJKYVHS-MRVPVSSYSA-N 1 2 226.280 -0.281 20 0 BBADLO C[C@H]1CCOCC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000754166841 585279798 /nfs/dbraw/zinc/27/97/98/585279798.db2.gz OFYNDIDZJKYVHS-QMMMGPOBSA-N 1 2 226.280 -0.281 20 0 BBADLO C[C@H]1CCOCC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000754166841 585279797 /nfs/dbraw/zinc/27/97/97/585279797.db2.gz OFYNDIDZJKYVHS-QMMMGPOBSA-N 1 2 226.280 -0.281 20 0 BBADLO O=C(OCC[NH+]1CCOCC1)[C@H]1CCC(=O)O1 ZINC000754260646 585281591 /nfs/dbraw/zinc/28/15/91/585281591.db2.gz MMMWWRMMERBXGL-SECBINFHSA-N 1 2 243.259 -0.433 20 0 BBADLO CC(C)(O)CCO[NH+]=C(N)CN1CCOCC1 ZINC000754292675 585282398 /nfs/dbraw/zinc/28/23/98/585282398.db2.gz OSHKYXNSLDZCHB-UHFFFAOYSA-N 1 2 245.323 -0.022 20 0 BBADLO CO[C@H](C)C(N)=[NH+]OCC(=O)N1CCOCC1 ZINC000754295832 585282304 /nfs/dbraw/zinc/28/23/04/585282304.db2.gz FSMXJVQLQYPXTR-MRVPVSSYSA-N 1 2 245.279 -0.621 20 0 BBADLO CO[C@@H](C)C(N)=[NH+]OCC(=O)N1CCOCC1 ZINC000754295833 585282233 /nfs/dbraw/zinc/28/22/33/585282233.db2.gz FSMXJVQLQYPXTR-QMMMGPOBSA-N 1 2 245.279 -0.621 20 0 BBADLO CCOCCNC(=O)CO[NH+]=C(N)[C@@H](C)OC ZINC000754296056 585282337 /nfs/dbraw/zinc/28/23/37/585282337.db2.gz HTFCESXNORJWEW-MRVPVSSYSA-N 1 2 247.295 -0.328 20 0 BBADLO CCOCCNC(=O)CO[NH+]=C(N)[C@H](C)OC ZINC000754296057 585282345 /nfs/dbraw/zinc/28/23/45/585282345.db2.gz HTFCESXNORJWEW-QMMMGPOBSA-N 1 2 247.295 -0.328 20 0 BBADLO CO[C@@H](C)C(N)=[NH+]OCc1ncnn1C ZINC000754296105 585282272 /nfs/dbraw/zinc/28/22/72/585282272.db2.gz LJVJPRPTAOPULF-LURJTMIESA-N 1 2 213.241 -0.152 20 0 BBADLO CO[C@H](C)C(N)=[NH+]OCc1ncnn1C ZINC000754296106 585282184 /nfs/dbraw/zinc/28/21/84/585282184.db2.gz LJVJPRPTAOPULF-ZCFIWIBFSA-N 1 2 213.241 -0.152 20 0 BBADLO CN(C)C(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000754296800 585282420 /nfs/dbraw/zinc/28/24/20/585282420.db2.gz BXVJEAJTSKZNPJ-INIZCTEOSA-N 1 2 247.364 -0.336 20 0 BBADLO CN(C)C(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000754296801 585282145 /nfs/dbraw/zinc/28/21/45/585282145.db2.gz BXVJEAJTSKZNPJ-MRXNPFEDSA-N 1 2 247.364 -0.336 20 0 BBADLO COC(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000754305671 585282314 /nfs/dbraw/zinc/28/23/14/585282314.db2.gz XQYWPTAEWXDLTB-HNNXBMFYSA-N 1 2 234.321 -0.251 20 0 BBADLO COC(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000754305683 585282104 /nfs/dbraw/zinc/28/21/04/585282104.db2.gz XQYWPTAEWXDLTB-OAHLLOKOSA-N 1 2 234.321 -0.251 20 0 BBADLO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)c1cn[nH]c1 ZINC000754338969 585282818 /nfs/dbraw/zinc/28/28/18/585282818.db2.gz VSYLIIGLFURINP-SECBINFHSA-N 1 2 224.264 -0.297 20 0 BBADLO CN(C(=O)[C@H]1C[N@H+](C)CCO1)c1cn[nH]c1 ZINC000754338969 585282817 /nfs/dbraw/zinc/28/28/17/585282817.db2.gz VSYLIIGLFURINP-SECBINFHSA-N 1 2 224.264 -0.297 20 0 BBADLO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)c1cn[nH]c1 ZINC000754338970 585282803 /nfs/dbraw/zinc/28/28/03/585282803.db2.gz VSYLIIGLFURINP-VIFPVBQESA-N 1 2 224.264 -0.297 20 0 BBADLO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)c1cn[nH]c1 ZINC000754338970 585282802 /nfs/dbraw/zinc/28/28/02/585282802.db2.gz VSYLIIGLFURINP-VIFPVBQESA-N 1 2 224.264 -0.297 20 0 BBADLO COC(=O)C[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000754535766 585285523 /nfs/dbraw/zinc/28/55/23/585285523.db2.gz BJRZWTCIFMAWRV-SSDOTTSWSA-N 1 2 240.263 -0.058 20 0 BBADLO COC(=O)C[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000754535770 585285448 /nfs/dbraw/zinc/28/54/48/585285448.db2.gz BJRZWTCIFMAWRV-ZETCQYMHSA-N 1 2 240.263 -0.058 20 0 BBADLO C[N@@H+](CCS(N)(=O)=O)Cc1cn[nH]c1 ZINC000754658769 585288900 /nfs/dbraw/zinc/28/89/00/585288900.db2.gz JXBBIQOPDPDLLV-UHFFFAOYSA-N 1 2 218.282 -0.870 20 0 BBADLO C[N@H+](CCS(N)(=O)=O)Cc1cn[nH]c1 ZINC000754658769 585288899 /nfs/dbraw/zinc/28/88/99/585288899.db2.gz JXBBIQOPDPDLLV-UHFFFAOYSA-N 1 2 218.282 -0.870 20 0 BBADLO CC(=O)N(C)CC(=O)OCc1c[nH+]cn1C ZINC000754688142 585289545 /nfs/dbraw/zinc/28/95/45/585289545.db2.gz VJLQHZSIEVLTOI-UHFFFAOYSA-N 1 2 225.248 -0.058 20 0 BBADLO CC(CO)(CO)C(=O)OCCn1cc[nH+]c1 ZINC000754864106 644612785 /nfs/dbraw/zinc/61/27/85/644612785.db2.gz ODLQVDDYAQJTRB-UHFFFAOYSA-N 1 2 228.248 -0.583 20 0 BBADLO CC(C)(C)C(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000755138218 585295379 /nfs/dbraw/zinc/29/53/79/585295379.db2.gz CTZHFMHAUGKJRT-UHFFFAOYSA-N 1 2 242.319 -0.262 20 0 BBADLO CS(=O)(=O)CC[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000755207490 585296116 /nfs/dbraw/zinc/29/61/16/585296116.db2.gz GIKSAIFCUPLSPF-JTQLQIEISA-N 1 2 248.348 -0.953 20 0 BBADLO CS(=O)(=O)CC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000755207490 585296115 /nfs/dbraw/zinc/29/61/15/585296115.db2.gz GIKSAIFCUPLSPF-JTQLQIEISA-N 1 2 248.348 -0.953 20 0 BBADLO CS(=O)(=O)CC[N@H+]1CCN2CCOC[C@H]2C1 ZINC000755207496 585296243 /nfs/dbraw/zinc/29/62/43/585296243.db2.gz GIKSAIFCUPLSPF-SNVBAGLBSA-N 1 2 248.348 -0.953 20 0 BBADLO CS(=O)(=O)CC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000755207496 585296242 /nfs/dbraw/zinc/29/62/42/585296242.db2.gz GIKSAIFCUPLSPF-SNVBAGLBSA-N 1 2 248.348 -0.953 20 0 BBADLO C(C1OCCO1)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000755215233 585296323 /nfs/dbraw/zinc/29/63/23/585296323.db2.gz TYIBTKNXCKYVAF-JTQLQIEISA-N 1 2 228.292 -0.624 20 0 BBADLO C(C1OCCO1)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000755215233 585296322 /nfs/dbraw/zinc/29/63/22/585296322.db2.gz TYIBTKNXCKYVAF-JTQLQIEISA-N 1 2 228.292 -0.624 20 0 BBADLO C(C1OCCO1)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000755215235 585296446 /nfs/dbraw/zinc/29/64/46/585296446.db2.gz TYIBTKNXCKYVAF-SNVBAGLBSA-N 1 2 228.292 -0.624 20 0 BBADLO C(C1OCCO1)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000755215235 585296445 /nfs/dbraw/zinc/29/64/45/585296445.db2.gz TYIBTKNXCKYVAF-SNVBAGLBSA-N 1 2 228.292 -0.624 20 0 BBADLO CON(C)C(=O)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000755215263 585296466 /nfs/dbraw/zinc/29/64/66/585296466.db2.gz VJEAEDRDFYAHCT-JTQLQIEISA-N 1 2 243.307 -0.977 20 0 BBADLO CON(C)C(=O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000755215263 585296465 /nfs/dbraw/zinc/29/64/65/585296465.db2.gz VJEAEDRDFYAHCT-JTQLQIEISA-N 1 2 243.307 -0.977 20 0 BBADLO CON(C)C(=O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000755215267 585296501 /nfs/dbraw/zinc/29/65/01/585296501.db2.gz VJEAEDRDFYAHCT-SNVBAGLBSA-N 1 2 243.307 -0.977 20 0 BBADLO CON(C)C(=O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000755215267 585296500 /nfs/dbraw/zinc/29/65/00/585296500.db2.gz VJEAEDRDFYAHCT-SNVBAGLBSA-N 1 2 243.307 -0.977 20 0 BBADLO CON(C)C(=O)C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000755254240 585296985 /nfs/dbraw/zinc/29/69/85/585296985.db2.gz WAQIJFLSTFDPAP-LLVKDONJSA-N 1 2 243.307 -0.264 20 0 BBADLO CON(C)C(=O)C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000755254240 585296984 /nfs/dbraw/zinc/29/69/84/585296984.db2.gz WAQIJFLSTFDPAP-LLVKDONJSA-N 1 2 243.307 -0.264 20 0 BBADLO CON(C)C(=O)C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000755254241 585297025 /nfs/dbraw/zinc/29/70/25/585297025.db2.gz WAQIJFLSTFDPAP-NSHDSACASA-N 1 2 243.307 -0.264 20 0 BBADLO CON(C)C(=O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000755254241 585297024 /nfs/dbraw/zinc/29/70/24/585297024.db2.gz WAQIJFLSTFDPAP-NSHDSACASA-N 1 2 243.307 -0.264 20 0 BBADLO Cc1[nH]c(C(=O)NCCNC(N)=O)c[nH+]1 ZINC000755256299 585296922 /nfs/dbraw/zinc/29/69/22/585296922.db2.gz GOISLDMTJJHIJR-UHFFFAOYSA-N 1 2 211.225 -0.884 20 0 BBADLO CCC1(C(=O)NC[C@H]2C[N@@H+](C)CCO2)COC1 ZINC000755261907 585296837 /nfs/dbraw/zinc/29/68/37/585296837.db2.gz UVVURLMAFWIVED-JTQLQIEISA-N 1 2 242.319 -0.140 20 0 BBADLO CCC1(C(=O)NC[C@H]2C[N@H+](C)CCO2)COC1 ZINC000755261907 585296836 /nfs/dbraw/zinc/29/68/36/585296836.db2.gz UVVURLMAFWIVED-JTQLQIEISA-N 1 2 242.319 -0.140 20 0 BBADLO CCC1(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)COC1 ZINC000755261931 585296875 /nfs/dbraw/zinc/29/68/75/585296875.db2.gz UVVURLMAFWIVED-SNVBAGLBSA-N 1 2 242.319 -0.140 20 0 BBADLO CCC1(C(=O)NC[C@@H]2C[N@H+](C)CCO2)COC1 ZINC000755261931 585296874 /nfs/dbraw/zinc/29/68/74/585296874.db2.gz UVVURLMAFWIVED-SNVBAGLBSA-N 1 2 242.319 -0.140 20 0 BBADLO O=C(NC(CO)CO)c1cccc2[nH+]ccn21 ZINC000755696095 644617285 /nfs/dbraw/zinc/61/72/85/644617285.db2.gz JFPHDWCQCCSVMR-UHFFFAOYSA-N 1 2 235.243 -0.583 20 0 BBADLO O=C(N[C@H]1CNC(=O)C1)c1cccc2[nH+]ccn21 ZINC000755928285 585310660 /nfs/dbraw/zinc/31/06/60/585310660.db2.gz YLKINGCIEITDBE-MRVPVSSYSA-N 1 2 244.254 -0.047 20 0 BBADLO O=C(N[C@@H]1CNC(=O)C1)c1cccc2[nH+]ccn21 ZINC000755928286 585310640 /nfs/dbraw/zinc/31/06/40/585310640.db2.gz YLKINGCIEITDBE-QMMMGPOBSA-N 1 2 244.254 -0.047 20 0 BBADLO NC(=O)CONC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000756675296 585322251 /nfs/dbraw/zinc/32/22/51/585322251.db2.gz ARBDEAAPOSLAKC-UHFFFAOYSA-N 1 2 249.230 -0.127 20 0 BBADLO C/C=C\C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000757108581 585328322 /nfs/dbraw/zinc/32/83/22/585328322.db2.gz GGJJLQHZAIERLA-IHWYPQMZSA-N 1 2 242.319 -0.284 20 0 BBADLO C/C=C/C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000757108582 585328435 /nfs/dbraw/zinc/32/84/35/585328435.db2.gz GGJJLQHZAIERLA-NSCUHMNNSA-N 1 2 242.319 -0.284 20 0 BBADLO NC(CN1CCOCC1)=[NH+]OCC1OCCO1 ZINC000757717975 584903675 /nfs/dbraw/zinc/90/36/75/584903675.db2.gz LXQKQHIZEUBRCE-UHFFFAOYSA-N 1 2 245.279 -0.810 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)NOCC(N)=O ZINC000757808013 585345667 /nfs/dbraw/zinc/34/56/67/585345667.db2.gz OVYSUTIGIQMESJ-UHFFFAOYSA-N 1 2 224.220 -0.650 20 0 BBADLO Cc1cc(NC(=O)NOCC(N)=O)cc[nH+]1 ZINC000757808368 585345579 /nfs/dbraw/zinc/34/55/79/585345579.db2.gz VEYHJTRIZWUMTD-UHFFFAOYSA-N 1 2 224.220 -0.650 20 0 BBADLO Cc1cc(NC(=O)NOCC(N)=O)c(C)c[nH+]1 ZINC000757811433 585345575 /nfs/dbraw/zinc/34/55/75/585345575.db2.gz VIOKAIKERRCEER-UHFFFAOYSA-N 1 2 238.247 -0.341 20 0 BBADLO C[C@H](C[N@H+]1CCCNC(=O)C1)CS(C)(=O)=O ZINC000757839248 585345964 /nfs/dbraw/zinc/34/59/64/585345964.db2.gz GFMYIWORHPBQDA-SECBINFHSA-N 1 2 248.348 -0.511 20 0 BBADLO C[C@H](C[N@@H+]1CCCNC(=O)C1)CS(C)(=O)=O ZINC000757839248 585345963 /nfs/dbraw/zinc/34/59/63/585345963.db2.gz GFMYIWORHPBQDA-SECBINFHSA-N 1 2 248.348 -0.511 20 0 BBADLO C[C@@H](C[N@H+]1CCCNC(=O)C1)CS(C)(=O)=O ZINC000757839252 585345902 /nfs/dbraw/zinc/34/59/02/585345902.db2.gz GFMYIWORHPBQDA-VIFPVBQESA-N 1 2 248.348 -0.511 20 0 BBADLO C[C@@H](C[N@@H+]1CCCNC(=O)C1)CS(C)(=O)=O ZINC000757839252 585345901 /nfs/dbraw/zinc/34/59/01/585345901.db2.gz GFMYIWORHPBQDA-VIFPVBQESA-N 1 2 248.348 -0.511 20 0 BBADLO Cc1cncc(N2CCC[N@@H+](CC(N)=O)CC2)n1 ZINC000757842065 585345836 /nfs/dbraw/zinc/34/58/36/585345836.db2.gz LIKGQOBUTBVTRT-UHFFFAOYSA-N 1 2 249.318 -0.218 20 0 BBADLO Cc1cncc(N2CCC[N@H+](CC(N)=O)CC2)n1 ZINC000757842065 585345835 /nfs/dbraw/zinc/34/58/35/585345835.db2.gz LIKGQOBUTBVTRT-UHFFFAOYSA-N 1 2 249.318 -0.218 20 0 BBADLO CNC(=O)[C@H](O)CNc1cc[nH+]c(C2CC2)n1 ZINC000758112091 585349296 /nfs/dbraw/zinc/34/92/96/585349296.db2.gz AYDRNDNAEBKJTE-MRVPVSSYSA-N 1 2 236.275 -0.127 20 0 BBADLO CNC(=O)[C@@H](O)CNc1cc[nH+]c(C2CC2)n1 ZINC000758112092 585349224 /nfs/dbraw/zinc/34/92/24/585349224.db2.gz AYDRNDNAEBKJTE-QMMMGPOBSA-N 1 2 236.275 -0.127 20 0 BBADLO CNC(=O)[C@H](O)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000758127767 585349968 /nfs/dbraw/zinc/34/99/68/585349968.db2.gz XPYJWHPJGFSBNG-MRVPVSSYSA-N 1 2 249.274 -0.215 20 0 BBADLO CNC(=O)[C@@H](O)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000758127771 585349867 /nfs/dbraw/zinc/34/98/67/585349867.db2.gz XPYJWHPJGFSBNG-QMMMGPOBSA-N 1 2 249.274 -0.215 20 0 BBADLO O=c1n2ccncc2nn1C[NH+]1CCCC1 ZINC000758289449 585353484 /nfs/dbraw/zinc/35/34/84/585353484.db2.gz STPHAQZOJCMGEP-UHFFFAOYSA-N 1 2 219.248 -0.056 20 0 BBADLO CC[N@@H+](C[C@@H]1CCOC1)Cn1ncn(C)c1=O ZINC000758322569 585353672 /nfs/dbraw/zinc/35/36/72/585353672.db2.gz AZJUCYYONGWOSX-JTQLQIEISA-N 1 2 240.307 -0.102 20 0 BBADLO CC[N@H+](C[C@@H]1CCOC1)Cn1ncn(C)c1=O ZINC000758322569 585353671 /nfs/dbraw/zinc/35/36/71/585353671.db2.gz AZJUCYYONGWOSX-JTQLQIEISA-N 1 2 240.307 -0.102 20 0 BBADLO CC[N@@H+](C[C@H]1CCOC1)Cn1ncn(C)c1=O ZINC000758322573 585353756 /nfs/dbraw/zinc/35/37/56/585353756.db2.gz AZJUCYYONGWOSX-SNVBAGLBSA-N 1 2 240.307 -0.102 20 0 BBADLO CC[N@H+](C[C@H]1CCOC1)Cn1ncn(C)c1=O ZINC000758322573 585353755 /nfs/dbraw/zinc/35/37/55/585353755.db2.gz AZJUCYYONGWOSX-SNVBAGLBSA-N 1 2 240.307 -0.102 20 0 BBADLO COC[C@@H]1CC[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000758333554 585354118 /nfs/dbraw/zinc/35/41/18/585354118.db2.gz WATKWCWQLOIKQN-SECBINFHSA-N 1 2 226.280 -0.492 20 0 BBADLO COC[C@@H]1CC[N@H+](Cn2ncn(C)c2=O)C1 ZINC000758333554 585354117 /nfs/dbraw/zinc/35/41/17/585354117.db2.gz WATKWCWQLOIKQN-SECBINFHSA-N 1 2 226.280 -0.492 20 0 BBADLO COC[C@H]1CC[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000758333556 585353918 /nfs/dbraw/zinc/35/39/18/585353918.db2.gz WATKWCWQLOIKQN-VIFPVBQESA-N 1 2 226.280 -0.492 20 0 BBADLO COC[C@H]1CC[N@H+](Cn2ncn(C)c2=O)C1 ZINC000758333556 585353917 /nfs/dbraw/zinc/35/39/17/585353917.db2.gz WATKWCWQLOIKQN-VIFPVBQESA-N 1 2 226.280 -0.492 20 0 BBADLO Cn1cnn(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1=O ZINC000758348928 585354243 /nfs/dbraw/zinc/35/42/43/585354243.db2.gz VTQLEYAHGVICAR-DTORHVGOSA-N 1 2 224.264 -0.598 20 0 BBADLO Cn1cnn(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1=O ZINC000758348928 585354242 /nfs/dbraw/zinc/35/42/42/585354242.db2.gz VTQLEYAHGVICAR-DTORHVGOSA-N 1 2 224.264 -0.598 20 0 BBADLO CCOC[C@H]1CC[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000758358153 585354617 /nfs/dbraw/zinc/35/46/17/585354617.db2.gz XOLRPSPJDCIGNO-JTQLQIEISA-N 1 2 240.307 -0.102 20 0 BBADLO CCOC[C@H]1CC[N@H+](Cn2ncn(C)c2=O)C1 ZINC000758358153 585354616 /nfs/dbraw/zinc/35/46/16/585354616.db2.gz XOLRPSPJDCIGNO-JTQLQIEISA-N 1 2 240.307 -0.102 20 0 BBADLO CCOC[C@@H]1CC[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000758358154 585354014 /nfs/dbraw/zinc/35/40/14/585354014.db2.gz XOLRPSPJDCIGNO-SNVBAGLBSA-N 1 2 240.307 -0.102 20 0 BBADLO CCOC[C@@H]1CC[N@H+](Cn2ncn(C)c2=O)C1 ZINC000758358154 585354013 /nfs/dbraw/zinc/35/40/13/585354013.db2.gz XOLRPSPJDCIGNO-SNVBAGLBSA-N 1 2 240.307 -0.102 20 0 BBADLO C[C@@H](O)C[C@H]1CCC[N@H+]1Cn1ncn(C)c1=O ZINC000758358858 585354493 /nfs/dbraw/zinc/35/44/93/585354493.db2.gz XSXZUKFCKRFKKV-NXEZZACHSA-N 1 2 240.307 -0.225 20 0 BBADLO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cn1ncn(C)c1=O ZINC000758358858 585354492 /nfs/dbraw/zinc/35/44/92/585354492.db2.gz XSXZUKFCKRFKKV-NXEZZACHSA-N 1 2 240.307 -0.225 20 0 BBADLO C[C@H](O)C[C@@H]1CCC[N@H+]1Cn1ncn(C)c1=O ZINC000758358861 585354533 /nfs/dbraw/zinc/35/45/33/585354533.db2.gz XSXZUKFCKRFKKV-UWVGGRQHSA-N 1 2 240.307 -0.225 20 0 BBADLO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cn1ncn(C)c1=O ZINC000758358861 585354532 /nfs/dbraw/zinc/35/45/32/585354532.db2.gz XSXZUKFCKRFKKV-UWVGGRQHSA-N 1 2 240.307 -0.225 20 0 BBADLO C[C@H](O)C[C@H]1CCC[N@H+]1Cn1ncn(C)c1=O ZINC000758358862 585354536 /nfs/dbraw/zinc/35/45/36/585354536.db2.gz XSXZUKFCKRFKKV-VHSXEESVSA-N 1 2 240.307 -0.225 20 0 BBADLO C[C@H](O)C[C@H]1CCC[N@@H+]1Cn1ncn(C)c1=O ZINC000758358862 585354535 /nfs/dbraw/zinc/35/45/35/585354535.db2.gz XSXZUKFCKRFKKV-VHSXEESVSA-N 1 2 240.307 -0.225 20 0 BBADLO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cn1ncn(C)c1=O ZINC000758358863 585354583 /nfs/dbraw/zinc/35/45/83/585354583.db2.gz XSXZUKFCKRFKKV-ZJUUUORDSA-N 1 2 240.307 -0.225 20 0 BBADLO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cn1ncn(C)c1=O ZINC000758358863 585354582 /nfs/dbraw/zinc/35/45/82/585354582.db2.gz XSXZUKFCKRFKKV-ZJUUUORDSA-N 1 2 240.307 -0.225 20 0 BBADLO C[N@@H+](CN1C(=O)CC12CCC2)[C@@H]1CCNC1=O ZINC000758397144 585355730 /nfs/dbraw/zinc/35/57/30/585355730.db2.gz DSVZOBDNDJAPFT-SECBINFHSA-N 1 2 237.303 -0.081 20 0 BBADLO C[N@H+](CN1C(=O)CC12CCC2)[C@@H]1CCNC1=O ZINC000758397144 585355729 /nfs/dbraw/zinc/35/57/29/585355729.db2.gz DSVZOBDNDJAPFT-SECBINFHSA-N 1 2 237.303 -0.081 20 0 BBADLO C[N@@H+](CN1C(=O)CC12CCC2)[C@H]1CCNC1=O ZINC000758397146 585355677 /nfs/dbraw/zinc/35/56/77/585355677.db2.gz DSVZOBDNDJAPFT-VIFPVBQESA-N 1 2 237.303 -0.081 20 0 BBADLO C[N@H+](CN1C(=O)CC12CCC2)[C@H]1CCNC1=O ZINC000758397146 585355676 /nfs/dbraw/zinc/35/56/76/585355676.db2.gz DSVZOBDNDJAPFT-VIFPVBQESA-N 1 2 237.303 -0.081 20 0 BBADLO C[C@@H]1CC(=O)N(C[N@@H+](C)[C@H]2CCNC2=O)C1 ZINC000758408644 585355809 /nfs/dbraw/zinc/35/58/09/585355809.db2.gz PPQWIBSALUHEFE-BDAKNGLRSA-N 1 2 225.292 -0.367 20 0 BBADLO C[C@@H]1CC(=O)N(C[N@H+](C)[C@H]2CCNC2=O)C1 ZINC000758408644 585355808 /nfs/dbraw/zinc/35/58/08/585355808.db2.gz PPQWIBSALUHEFE-BDAKNGLRSA-N 1 2 225.292 -0.367 20 0 BBADLO C[C@H]1CC(=O)N(C[N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC000758408654 585355963 /nfs/dbraw/zinc/35/59/63/585355963.db2.gz PPQWIBSALUHEFE-DTWKUNHWSA-N 1 2 225.292 -0.367 20 0 BBADLO C[C@H]1CC(=O)N(C[N@H+](C)[C@@H]2CCNC2=O)C1 ZINC000758408654 585355962 /nfs/dbraw/zinc/35/59/62/585355962.db2.gz PPQWIBSALUHEFE-DTWKUNHWSA-N 1 2 225.292 -0.367 20 0 BBADLO C[C@H]1CC(=O)N(C[N@@H+](C)[C@H]2CCNC2=O)C1 ZINC000758408656 585355917 /nfs/dbraw/zinc/35/59/17/585355917.db2.gz PPQWIBSALUHEFE-IUCAKERBSA-N 1 2 225.292 -0.367 20 0 BBADLO C[C@H]1CC(=O)N(C[N@H+](C)[C@H]2CCNC2=O)C1 ZINC000758408656 585355916 /nfs/dbraw/zinc/35/59/16/585355916.db2.gz PPQWIBSALUHEFE-IUCAKERBSA-N 1 2 225.292 -0.367 20 0 BBADLO C[C@@H]1CC(=O)N(C[N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC000758408658 585355813 /nfs/dbraw/zinc/35/58/13/585355813.db2.gz PPQWIBSALUHEFE-RKDXNWHRSA-N 1 2 225.292 -0.367 20 0 BBADLO C[C@@H]1CC(=O)N(C[N@H+](C)[C@@H]2CCNC2=O)C1 ZINC000758408658 585355812 /nfs/dbraw/zinc/35/58/12/585355812.db2.gz PPQWIBSALUHEFE-RKDXNWHRSA-N 1 2 225.292 -0.367 20 0 BBADLO CCN(C)C(=O)CO[NH+]=C(N)[C@@H](C)OC ZINC000758762402 585359728 /nfs/dbraw/zinc/35/97/28/585359728.db2.gz ICQDACDMTKDHDN-SSDOTTSWSA-N 1 2 217.269 -0.002 20 0 BBADLO CCN(C)C(=O)CO[NH+]=C(N)[C@H](C)OC ZINC000758762406 585359764 /nfs/dbraw/zinc/35/97/64/585359764.db2.gz ICQDACDMTKDHDN-ZETCQYMHSA-N 1 2 217.269 -0.002 20 0 BBADLO CCNC(=O)C[NH+]1CCN(CCF)CC1 ZINC000759327008 585367657 /nfs/dbraw/zinc/36/76/57/585367657.db2.gz HYNOTCZTKNZKRR-UHFFFAOYSA-N 1 2 217.288 -0.290 20 0 BBADLO CN(C)C(=O)C[NH+]1CCN(CCF)CC1 ZINC000759331813 585367924 /nfs/dbraw/zinc/36/79/24/585367924.db2.gz GISVXEAAXKCCCJ-UHFFFAOYSA-N 1 2 217.288 -0.338 20 0 BBADLO COCC[N@@H+](CCF)CC(=O)N(C)C ZINC000759341061 585369253 /nfs/dbraw/zinc/36/92/53/585369253.db2.gz BFMCWOHFLRLVFV-UHFFFAOYSA-N 1 2 206.261 -0.008 20 0 BBADLO COCC[N@H+](CCF)CC(=O)N(C)C ZINC000759341061 585369252 /nfs/dbraw/zinc/36/92/52/585369252.db2.gz BFMCWOHFLRLVFV-UHFFFAOYSA-N 1 2 206.261 -0.008 20 0 BBADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CCF)C1 ZINC000759341076 585369014 /nfs/dbraw/zinc/36/90/14/585369014.db2.gz BZKLJGDQTOLJIE-MRVPVSSYSA-N 1 2 224.301 -0.031 20 0 BBADLO CNS(=O)(=O)[C@@H]1CCC[N@H+](CCF)C1 ZINC000759341076 585369013 /nfs/dbraw/zinc/36/90/13/585369013.db2.gz BZKLJGDQTOLJIE-MRVPVSSYSA-N 1 2 224.301 -0.031 20 0 BBADLO CNS(=O)(=O)[C@H]1CCC[N@@H+](CCF)C1 ZINC000759341077 585369173 /nfs/dbraw/zinc/36/91/73/585369173.db2.gz BZKLJGDQTOLJIE-QMMMGPOBSA-N 1 2 224.301 -0.031 20 0 BBADLO CNS(=O)(=O)[C@H]1CCC[N@H+](CCF)C1 ZINC000759341077 585369172 /nfs/dbraw/zinc/36/91/72/585369172.db2.gz BZKLJGDQTOLJIE-QMMMGPOBSA-N 1 2 224.301 -0.031 20 0 BBADLO CNS(=O)(=O)C1CC[NH+](CCF)CC1 ZINC000759343403 585369622 /nfs/dbraw/zinc/36/96/22/585369622.db2.gz USMBJYDSGMSAAT-UHFFFAOYSA-N 1 2 224.301 -0.031 20 0 BBADLO COC(=O)CN(CCF)CC[NH+]1CCOCC1 ZINC000759345390 585369992 /nfs/dbraw/zinc/36/99/92/585369992.db2.gz FMCIJRQIQBIGHT-UHFFFAOYSA-N 1 2 248.298 -0.237 20 0 BBADLO CN(CCF)C[C@H](O)C[NH+]1CCOCC1 ZINC000759346845 585370170 /nfs/dbraw/zinc/37/01/70/585370170.db2.gz POOBTNFNOYGOOY-JTQLQIEISA-N 1 2 220.288 -0.419 20 0 BBADLO CN(CCF)C[C@@H](O)C[NH+]1CCOCC1 ZINC000759346848 585369986 /nfs/dbraw/zinc/36/99/86/585369986.db2.gz POOBTNFNOYGOOY-SNVBAGLBSA-N 1 2 220.288 -0.419 20 0 BBADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCF ZINC000759347399 585370674 /nfs/dbraw/zinc/37/06/74/585370674.db2.gz UXADMCATAOSWMB-MRVPVSSYSA-N 1 2 224.301 -0.031 20 0 BBADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCF ZINC000759347399 585370673 /nfs/dbraw/zinc/37/06/73/585370673.db2.gz UXADMCATAOSWMB-MRVPVSSYSA-N 1 2 224.301 -0.031 20 0 BBADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CCF ZINC000759347400 585370406 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236.337 -0.224 20 0 BBADLO CCC[C@H]1C[N@@H+](CCS(N)(=O)=O)CCO1 ZINC000759423606 585372738 /nfs/dbraw/zinc/37/27/38/585372738.db2.gz ZFKUSBCXETUBEY-VIFPVBQESA-N 1 2 236.337 -0.224 20 0 BBADLO CCC[C@H]1C[N@H+](CCS(N)(=O)=O)CCO1 ZINC000759423606 585372737 /nfs/dbraw/zinc/37/27/37/585372737.db2.gz ZFKUSBCXETUBEY-VIFPVBQESA-N 1 2 236.337 -0.224 20 0 BBADLO CC(C)S(=O)(=O)CC[N@@H+](C)CCC(N)=O ZINC000759446163 585373235 /nfs/dbraw/zinc/37/32/35/585373235.db2.gz IYQGBWUVXHTKEB-UHFFFAOYSA-N 1 2 236.337 -0.383 20 0 BBADLO CC(C)S(=O)(=O)CC[N@H+](C)CCC(N)=O ZINC000759446163 585373234 /nfs/dbraw/zinc/37/32/34/585373234.db2.gz IYQGBWUVXHTKEB-UHFFFAOYSA-N 1 2 236.337 -0.383 20 0 BBADLO O=C1OCCN1CC[N@H+]1CCc2nn[nH]c2C1 ZINC000759533034 585374737 /nfs/dbraw/zinc/37/47/37/585374737.db2.gz VYCPGKFVEZGLSL-UHFFFAOYSA-N 1 2 237.263 -0.385 20 0 BBADLO O=C1OCCN1CC[N@@H+]1CCc2nn[nH]c2C1 ZINC000759533034 585374736 /nfs/dbraw/zinc/37/47/36/585374736.db2.gz VYCPGKFVEZGLSL-UHFFFAOYSA-N 1 2 237.263 -0.385 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)N[C@](C)(CO)C2CC2)C1 ZINC000759537814 585375039 /nfs/dbraw/zinc/37/50/39/585375039.db2.gz RTEKSFOYYSGSBM-CMPLNLGQSA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)N[C@](C)(CO)C2CC2)C1 ZINC000759537814 585375038 /nfs/dbraw/zinc/37/50/38/585375038.db2.gz RTEKSFOYYSGSBM-CMPLNLGQSA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)N[C@@](C)(CO)C2CC2)C1 ZINC000759537818 585374989 /nfs/dbraw/zinc/37/49/89/585374989.db2.gz RTEKSFOYYSGSBM-JQWIXIFHSA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@](C)(CO)C2CC2)C1 ZINC000759537818 585374988 /nfs/dbraw/zinc/37/49/88/585374988.db2.gz RTEKSFOYYSGSBM-JQWIXIFHSA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@](C)(CO)C2CC2)C1 ZINC000759537822 585375061 /nfs/dbraw/zinc/37/50/61/585375061.db2.gz RTEKSFOYYSGSBM-PWSUYJOCSA-N 1 2 242.319 -0.406 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@](C)(CO)C2CC2)C1 ZINC000759537822 585375060 /nfs/dbraw/zinc/37/50/60/585375060.db2.gz 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ZINC000761115594 584910405 /nfs/dbraw/zinc/91/04/05/584910405.db2.gz VNVLYLUPSZVDGI-ZJUUUORDSA-N 1 2 238.287 -0.001 20 0 BBADLO O=C1CCCN1[C@@H]1CC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000761115594 584910404 /nfs/dbraw/zinc/91/04/04/584910404.db2.gz VNVLYLUPSZVDGI-ZJUUUORDSA-N 1 2 238.287 -0.001 20 0 BBADLO C[N@H+]1CCO[C@H]2CN(C(=O)C3=COCC3)C[C@H]21 ZINC000761302585 585413452 /nfs/dbraw/zinc/41/34/52/585413452.db2.gz CDEHYZJTESNRPS-MNOVXSKESA-N 1 2 238.287 -0.168 20 0 BBADLO C[N@@H+]1CCO[C@H]2CN(C(=O)C3=COCC3)C[C@H]21 ZINC000761302585 585413451 /nfs/dbraw/zinc/41/34/51/585413451.db2.gz CDEHYZJTESNRPS-MNOVXSKESA-N 1 2 238.287 -0.168 20 0 BBADLO CO[C@@H](C)C(N)=[NH+]OCc1cn(C)nn1 ZINC000761312237 585413514 /nfs/dbraw/zinc/41/35/14/585413514.db2.gz GIKBJOVQNBKSPV-LURJTMIESA-N 1 2 213.241 -0.152 20 0 BBADLO CO[C@H](C)C(N)=[NH+]OCc1cn(C)nn1 ZINC000761312246 585413439 /nfs/dbraw/zinc/41/34/39/585413439.db2.gz GIKBJOVQNBKSPV-ZCFIWIBFSA-N 1 2 213.241 -0.152 20 0 BBADLO Cn1cc(C[N@@H+](C)CCN2CCOC2=O)nn1 ZINC000761672016 585418111 /nfs/dbraw/zinc/41/81/11/585418111.db2.gz QNQJKWHTOBQVMW-UHFFFAOYSA-N 1 2 239.279 -0.301 20 0 BBADLO Cn1cc(C[N@H+](C)CCN2CCOC2=O)nn1 ZINC000761672016 585418110 /nfs/dbraw/zinc/41/81/10/585418110.db2.gz QNQJKWHTOBQVMW-UHFFFAOYSA-N 1 2 239.279 -0.301 20 0 BBADLO CC(C)OCC(N)=[NH+]OCC1(CO)COC1 ZINC000761849226 585420082 /nfs/dbraw/zinc/42/00/82/585420082.db2.gz KOTVBLMBECKXLQ-UHFFFAOYSA-N 1 2 232.280 -0.081 20 0 BBADLO Cc1cc(=O)[nH]c(C[N@@H+]2C[C@H](O)C[C@H](O)C2)n1 ZINC000761888750 585422432 /nfs/dbraw/zinc/42/24/32/585422432.db2.gz YRBJZUNSWHEJNF-DTORHVGOSA-N 1 2 239.275 -0.582 20 0 BBADLO Cc1cc(=O)[nH]c(C[N@H+]2C[C@H](O)C[C@H](O)C2)n1 ZINC000761888750 585422431 /nfs/dbraw/zinc/42/24/31/585422431.db2.gz YRBJZUNSWHEJNF-DTORHVGOSA-N 1 2 239.275 -0.582 20 0 BBADLO CN(C)C(=O)[C@@H]1C[N@@H+](CCF)CCN1CCF ZINC000761915131 585422692 /nfs/dbraw/zinc/42/26/92/585422692.db2.gz KZBCUCBHMSOOGO-JTQLQIEISA-N 1 2 249.305 0.000 20 0 BBADLO CN(C)C(=O)[C@@H]1C[N@H+](CCF)CCN1CCF ZINC000761915131 585422691 /nfs/dbraw/zinc/42/26/91/585422691.db2.gz KZBCUCBHMSOOGO-JTQLQIEISA-N 1 2 249.305 0.000 20 0 BBADLO CN(C)C(=O)[C@H]1C[N@@H+](CCF)CCN1CCF ZINC000761915140 585422729 /nfs/dbraw/zinc/42/27/29/585422729.db2.gz KZBCUCBHMSOOGO-SNVBAGLBSA-N 1 2 249.305 0.000 20 0 BBADLO CN(C)C(=O)[C@H]1C[N@H+](CCF)CCN1CCF ZINC000761915140 585422728 /nfs/dbraw/zinc/42/27/28/585422728.db2.gz KZBCUCBHMSOOGO-SNVBAGLBSA-N 1 2 249.305 0.000 20 0 BBADLO Cn1[nH]cnc1=NC(=O)CCn1cc[nH+]c1 ZINC000762361618 585431304 /nfs/dbraw/zinc/43/13/04/585431304.db2.gz PLEWYWJWSFLLGJ-UHFFFAOYSA-N 1 2 220.236 -0.538 20 0 BBADLO Cc1nonc1C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000762926392 585439563 /nfs/dbraw/zinc/43/95/63/585439563.db2.gz SLLXJGVASSTHEN-SSDOTTSWSA-N 1 2 225.252 -0.379 20 0 BBADLO Cc1nonc1C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000762926392 585439562 /nfs/dbraw/zinc/43/95/62/585439562.db2.gz SLLXJGVASSTHEN-SSDOTTSWSA-N 1 2 225.252 -0.379 20 0 BBADLO Cc1nonc1C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000762926395 585439803 /nfs/dbraw/zinc/43/98/03/585439803.db2.gz SLLXJGVASSTHEN-ZETCQYMHSA-N 1 2 225.252 -0.379 20 0 BBADLO Cc1nonc1C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000762926395 585439802 /nfs/dbraw/zinc/43/98/02/585439802.db2.gz SLLXJGVASSTHEN-ZETCQYMHSA-N 1 2 225.252 -0.379 20 0 BBADLO NS(=O)(=O)CC[N@H+]1CCOCC12CCCC2 ZINC000762927293 585439522 /nfs/dbraw/zinc/43/95/22/585439522.db2.gz PAMMXHANFRFAJX-UHFFFAOYSA-N 1 2 248.348 -0.080 20 0 BBADLO NS(=O)(=O)CC[N@@H+]1CCOCC12CCCC2 ZINC000762927293 585439521 /nfs/dbraw/zinc/43/95/21/585439521.db2.gz PAMMXHANFRFAJX-UHFFFAOYSA-N 1 2 248.348 -0.080 20 0 BBADLO C[NH+](C)C1(C(=O)NCCS(C)(=O)=O)CCC1 ZINC000762975682 585440603 /nfs/dbraw/zinc/44/06/03/585440603.db2.gz WRTSFRZCLAHTJC-UHFFFAOYSA-N 1 2 248.348 -0.369 20 0 BBADLO C[NH+](C)C1(C(=O)Nc2nn[nH]n2)CCC1 ZINC000763050168 585442378 /nfs/dbraw/zinc/44/23/78/585442378.db2.gz JKUJIHQJRWRRCB-UHFFFAOYSA-N 1 2 210.241 -0.378 20 0 BBADLO C[NH+](C)C1(C(=O)NCc2n[nH]c(=O)[nH]2)CCC1 ZINC000763059453 644654925 /nfs/dbraw/zinc/65/49/25/644654925.db2.gz UENBYVYWRUIYAN-UHFFFAOYSA-N 1 2 239.279 -0.389 20 0 BBADLO O=C(OCCn1cc[nH+]c1)[C@H]1COCCO1 ZINC000763111591 585443385 /nfs/dbraw/zinc/44/33/85/585443385.db2.gz BACSEHCCHMLRKR-SECBINFHSA-N 1 2 226.232 -0.158 20 0 BBADLO O=C(OCCn1cc[nH+]c1)[C@@H]1COCCO1 ZINC000763111592 585443395 /nfs/dbraw/zinc/44/33/95/585443395.db2.gz BACSEHCCHMLRKR-VIFPVBQESA-N 1 2 226.232 -0.158 20 0 BBADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CCC(=O)NC1 ZINC000763118513 585443256 /nfs/dbraw/zinc/44/32/56/585443256.db2.gz MVVPUFUYAOUPAE-SECBINFHSA-N 1 2 237.259 -0.048 20 0 BBADLO O=C(OCCn1cc[nH+]c1)[C@H]1CCC(=O)NC1 ZINC000763119020 585443069 /nfs/dbraw/zinc/44/30/69/585443069.db2.gz MVVPUFUYAOUPAE-VIFPVBQESA-N 1 2 237.259 -0.048 20 0 BBADLO C[C@H](C(=O)Nc1c[nH]nn1)N1CC[NH+](C)CC1 ZINC000763193407 584920499 /nfs/dbraw/zinc/92/04/99/584920499.db2.gz HJQWBSSNNXNRPZ-MRVPVSSYSA-N 1 2 238.295 -0.621 20 0 BBADLO C[C@@H](C(=O)Nc1c[nH]nn1)N1CC[NH+](C)CC1 ZINC000763193418 584920650 /nfs/dbraw/zinc/92/06/50/584920650.db2.gz HJQWBSSNNXNRPZ-QMMMGPOBSA-N 1 2 238.295 -0.621 20 0 BBADLO C[C@H]1[N@@H+](CCS(N)(=O)=O)CCOC1(C)C ZINC000763416960 585448155 /nfs/dbraw/zinc/44/81/55/585448155.db2.gz WZKIKMIJRGCAJP-MRVPVSSYSA-N 1 2 236.337 -0.226 20 0 BBADLO C[C@H]1[N@H+](CCS(N)(=O)=O)CCOC1(C)C ZINC000763416960 585448154 /nfs/dbraw/zinc/44/81/54/585448154.db2.gz WZKIKMIJRGCAJP-MRVPVSSYSA-N 1 2 236.337 -0.226 20 0 BBADLO C[C@@H]1[N@@H+](CCS(N)(=O)=O)CCOC1(C)C ZINC000763416962 585448207 /nfs/dbraw/zinc/44/82/07/585448207.db2.gz WZKIKMIJRGCAJP-QMMMGPOBSA-N 1 2 236.337 -0.226 20 0 BBADLO C[C@@H]1[N@H+](CCS(N)(=O)=O)CCOC1(C)C ZINC000763416962 585448206 /nfs/dbraw/zinc/44/82/06/585448206.db2.gz WZKIKMIJRGCAJP-QMMMGPOBSA-N 1 2 236.337 -0.226 20 0 BBADLO CO[C@H](C)C(N)=[NH+]OCCOCCO ZINC000763420147 585448191 /nfs/dbraw/zinc/44/81/91/585448191.db2.gz MRVYEXUEQNSNRM-SSDOTTSWSA-N 1 2 206.242 -0.471 20 0 BBADLO CO[C@@H](C)C(N)=[NH+]OCCOCCO ZINC000763420166 585448090 /nfs/dbraw/zinc/44/80/90/585448090.db2.gz MRVYEXUEQNSNRM-ZETCQYMHSA-N 1 2 206.242 -0.471 20 0 BBADLO CC(C)OCC(N)=[NH+]OCCOCCO ZINC000763425896 585448387 /nfs/dbraw/zinc/44/83/87/585448387.db2.gz IGDSVEAKLWODQG-UHFFFAOYSA-N 1 2 220.269 -0.081 20 0 BBADLO CC(=O)NC(C)(C)C(N)=[NH+]OCCOCCO ZINC000763427959 585448493 /nfs/dbraw/zinc/44/84/93/585448493.db2.gz XSAGRIIVQWEYLR-UHFFFAOYSA-N 1 2 247.295 -0.592 20 0 BBADLO O=C1O[C@@H](C[N@H+]2CCNC(=O)C2)CC12CC2 ZINC000763649489 585451794 /nfs/dbraw/zinc/45/17/94/585451794.db2.gz KFUQEECSAVTRDD-MRVPVSSYSA-N 1 2 224.260 -0.486 20 0 BBADLO O=C1O[C@@H](C[N@@H+]2CCNC(=O)C2)CC12CC2 ZINC000763649489 585451793 /nfs/dbraw/zinc/45/17/93/585451793.db2.gz KFUQEECSAVTRDD-MRVPVSSYSA-N 1 2 224.260 -0.486 20 0 BBADLO O=C1O[C@H](C[N@H+]2CCNC(=O)C2)CC12CC2 ZINC000763649497 585451618 /nfs/dbraw/zinc/45/16/18/585451618.db2.gz KFUQEECSAVTRDD-QMMMGPOBSA-N 1 2 224.260 -0.486 20 0 BBADLO O=C1O[C@H](C[N@@H+]2CCNC(=O)C2)CC12CC2 ZINC000763649497 585451617 /nfs/dbraw/zinc/45/16/17/585451617.db2.gz KFUQEECSAVTRDD-QMMMGPOBSA-N 1 2 224.260 -0.486 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763673143 585451967 /nfs/dbraw/zinc/45/19/67/585451967.db2.gz DRGBYBYYPBTBAP-BDAKNGLRSA-N 1 2 238.287 -0.098 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763673143 585451966 /nfs/dbraw/zinc/45/19/66/585451966.db2.gz DRGBYBYYPBTBAP-BDAKNGLRSA-N 1 2 238.287 -0.098 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CC2(CC2)C(=O)O1 ZINC000763673160 585452172 /nfs/dbraw/zinc/45/21/72/585452172.db2.gz DRGBYBYYPBTBAP-DTWKUNHWSA-N 1 2 238.287 -0.098 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1C[C@H]1CC2(CC2)C(=O)O1 ZINC000763673160 585452171 /nfs/dbraw/zinc/45/21/71/585452171.db2.gz DRGBYBYYPBTBAP-DTWKUNHWSA-N 1 2 238.287 -0.098 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763673161 585452162 /nfs/dbraw/zinc/45/21/62/585452162.db2.gz DRGBYBYYPBTBAP-IUCAKERBSA-N 1 2 238.287 -0.098 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763673161 585452161 /nfs/dbraw/zinc/45/21/61/585452161.db2.gz DRGBYBYYPBTBAP-IUCAKERBSA-N 1 2 238.287 -0.098 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CC2(CC2)C(=O)O1 ZINC000763673162 585452063 /nfs/dbraw/zinc/45/20/63/585452063.db2.gz DRGBYBYYPBTBAP-RKDXNWHRSA-N 1 2 238.287 -0.098 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CC2(CC2)C(=O)O1 ZINC000763673162 585452062 /nfs/dbraw/zinc/45/20/62/585452062.db2.gz DRGBYBYYPBTBAP-RKDXNWHRSA-N 1 2 238.287 -0.098 20 0 BBADLO CN1CC[N@@H+](C[C@H]2CC3(CC3)C(=O)O2)CC1=O ZINC000763687449 585452343 /nfs/dbraw/zinc/45/23/43/585452343.db2.gz OEDZQARVEZINNQ-SECBINFHSA-N 1 2 238.287 -0.144 20 0 BBADLO CN1CC[N@H+](C[C@H]2CC3(CC3)C(=O)O2)CC1=O ZINC000763687449 585452342 /nfs/dbraw/zinc/45/23/42/585452342.db2.gz OEDZQARVEZINNQ-SECBINFHSA-N 1 2 238.287 -0.144 20 0 BBADLO CN1CC[N@@H+](C[C@@H]2CC3(CC3)C(=O)O2)CC1=O ZINC000763687451 585452466 /nfs/dbraw/zinc/45/24/66/585452466.db2.gz OEDZQARVEZINNQ-VIFPVBQESA-N 1 2 238.287 -0.144 20 0 BBADLO CN1CC[N@H+](C[C@@H]2CC3(CC3)C(=O)O2)CC1=O ZINC000763687451 585452465 /nfs/dbraw/zinc/45/24/65/585452465.db2.gz OEDZQARVEZINNQ-VIFPVBQESA-N 1 2 238.287 -0.144 20 0 BBADLO O=C1C[N@@H+](C[C@H](O)C(F)(F)F)CCCN1 ZINC000763831531 585455055 /nfs/dbraw/zinc/45/50/55/585455055.db2.gz ZRONXVOKGXPDOG-LURJTMIESA-N 1 2 226.198 -0.269 20 0 BBADLO O=C1C[N@H+](C[C@H](O)C(F)(F)F)CCCN1 ZINC000763831531 585455054 /nfs/dbraw/zinc/45/50/54/585455054.db2.gz ZRONXVOKGXPDOG-LURJTMIESA-N 1 2 226.198 -0.269 20 0 BBADLO O=C1C[N@@H+](C[C@@H](O)C(F)(F)F)CCCN1 ZINC000763831533 585455132 /nfs/dbraw/zinc/45/51/32/585455132.db2.gz ZRONXVOKGXPDOG-ZCFIWIBFSA-N 1 2 226.198 -0.269 20 0 BBADLO O=C1C[N@H+](C[C@@H](O)C(F)(F)F)CCCN1 ZINC000763831533 585455131 /nfs/dbraw/zinc/45/51/31/585455131.db2.gz ZRONXVOKGXPDOG-ZCFIWIBFSA-N 1 2 226.198 -0.269 20 0 BBADLO Cc1nonc1C[N@H+](C)[C@]1(CO)CCOC1 ZINC000763883192 585456294 /nfs/dbraw/zinc/45/62/94/585456294.db2.gz YVLMPHLQLBLWEK-JTQLQIEISA-N 1 2 227.264 -0.039 20 0 BBADLO Cc1nonc1C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000763883192 585456293 /nfs/dbraw/zinc/45/62/93/585456293.db2.gz YVLMPHLQLBLWEK-JTQLQIEISA-N 1 2 227.264 -0.039 20 0 BBADLO Cc1nonc1C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000763883195 585456126 /nfs/dbraw/zinc/45/61/26/585456126.db2.gz YVLMPHLQLBLWEK-SNVBAGLBSA-N 1 2 227.264 -0.039 20 0 BBADLO Cc1nonc1C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000763883195 585456125 /nfs/dbraw/zinc/45/61/25/585456125.db2.gz YVLMPHLQLBLWEK-SNVBAGLBSA-N 1 2 227.264 -0.039 20 0 BBADLO CON(C)C(=O)C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000763888093 585456112 /nfs/dbraw/zinc/45/61/12/585456112.db2.gz FYAFFIFMJNLTAB-JTQLQIEISA-N 1 2 232.280 -0.911 20 0 BBADLO CON(C)C(=O)C[N@H+](C)[C@]1(CO)CCOC1 ZINC000763888093 585456111 /nfs/dbraw/zinc/45/61/11/585456111.db2.gz FYAFFIFMJNLTAB-JTQLQIEISA-N 1 2 232.280 -0.911 20 0 BBADLO CON(C)C(=O)C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000763888096 585456233 /nfs/dbraw/zinc/45/62/33/585456233.db2.gz FYAFFIFMJNLTAB-SNVBAGLBSA-N 1 2 232.280 -0.911 20 0 BBADLO CON(C)C(=O)C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000763888096 585456232 /nfs/dbraw/zinc/45/62/32/585456232.db2.gz FYAFFIFMJNLTAB-SNVBAGLBSA-N 1 2 232.280 -0.911 20 0 BBADLO C[C@H](C(N)=O)[N@@H+](C)CC(=O)NCC(F)(F)F ZINC000764191467 585461234 /nfs/dbraw/zinc/46/12/34/585461234.db2.gz IGPCDGMKFNXZMF-RXMQYKEDSA-N 1 2 241.213 -0.530 20 0 BBADLO C[C@H](C(N)=O)[N@H+](C)CC(=O)NCC(F)(F)F ZINC000764191467 585461233 /nfs/dbraw/zinc/46/12/33/585461233.db2.gz IGPCDGMKFNXZMF-RXMQYKEDSA-N 1 2 241.213 -0.530 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+](C)CC(=O)NCC(F)(F)F ZINC000764191534 585461138 /nfs/dbraw/zinc/46/11/38/585461138.db2.gz IGPCDGMKFNXZMF-YFKPBYRVSA-N 1 2 241.213 -0.530 20 0 BBADLO C[C@@H](C(N)=O)[N@H+](C)CC(=O)NCC(F)(F)F ZINC000764191534 585461137 /nfs/dbraw/zinc/46/11/37/585461137.db2.gz IGPCDGMKFNXZMF-YFKPBYRVSA-N 1 2 241.213 -0.530 20 0 BBADLO CC[N@@H+](CC(=O)NC)[C@@H]1CCCNC1=O ZINC000764200880 585461135 /nfs/dbraw/zinc/46/11/35/585461135.db2.gz BNHUVPGCNJKORI-MRVPVSSYSA-N 1 2 213.281 -0.667 20 0 BBADLO CC[N@H+](CC(=O)NC)[C@@H]1CCCNC1=O ZINC000764200880 585461134 /nfs/dbraw/zinc/46/11/34/585461134.db2.gz BNHUVPGCNJKORI-MRVPVSSYSA-N 1 2 213.281 -0.667 20 0 BBADLO CC[N@@H+](CC(=O)NC)[C@H]1CCCNC1=O ZINC000764200882 585461299 /nfs/dbraw/zinc/46/12/99/585461299.db2.gz BNHUVPGCNJKORI-QMMMGPOBSA-N 1 2 213.281 -0.667 20 0 BBADLO CC[N@H+](CC(=O)NC)[C@H]1CCCNC1=O ZINC000764200882 585461298 /nfs/dbraw/zinc/46/12/98/585461298.db2.gz BNHUVPGCNJKORI-QMMMGPOBSA-N 1 2 213.281 -0.667 20 0 BBADLO CC[N@@H+](CC(=O)NC)[C@H](C)C(=O)NC1CC1 ZINC000764201234 585461092 /nfs/dbraw/zinc/46/10/92/585461092.db2.gz ICINRBODHTZAEV-MRVPVSSYSA-N 1 2 227.308 -0.279 20 0 BBADLO CC[N@H+](CC(=O)NC)[C@H](C)C(=O)NC1CC1 ZINC000764201234 585461091 /nfs/dbraw/zinc/46/10/91/585461091.db2.gz ICINRBODHTZAEV-MRVPVSSYSA-N 1 2 227.308 -0.279 20 0 BBADLO CC[N@@H+](CC(=O)NC)[C@@H](C)C(=O)NC1CC1 ZINC000764201235 585461403 /nfs/dbraw/zinc/46/14/03/585461403.db2.gz ICINRBODHTZAEV-QMMMGPOBSA-N 1 2 227.308 -0.279 20 0 BBADLO CC[N@H+](CC(=O)NC)[C@@H](C)C(=O)NC1CC1 ZINC000764201235 585461402 /nfs/dbraw/zinc/46/14/02/585461402.db2.gz ICINRBODHTZAEV-QMMMGPOBSA-N 1 2 227.308 -0.279 20 0 BBADLO CC[N@@H+](CC(=O)NC)[C@@H]1CCN(C)C1=O ZINC000764202292 585461237 /nfs/dbraw/zinc/46/12/37/585461237.db2.gz FYHOMNWMAKHERA-MRVPVSSYSA-N 1 2 213.281 -0.715 20 0 BBADLO CC[N@H+](CC(=O)NC)[C@@H]1CCN(C)C1=O ZINC000764202292 585461236 /nfs/dbraw/zinc/46/12/36/585461236.db2.gz FYHOMNWMAKHERA-MRVPVSSYSA-N 1 2 213.281 -0.715 20 0 BBADLO CC[N@@H+](CC(=O)NC)[C@H]1CCN(C)C1=O ZINC000764202295 585461340 /nfs/dbraw/zinc/46/13/40/585461340.db2.gz FYHOMNWMAKHERA-QMMMGPOBSA-N 1 2 213.281 -0.715 20 0 BBADLO CC[N@H+](CC(=O)NC)[C@H]1CCN(C)C1=O ZINC000764202295 585461339 /nfs/dbraw/zinc/46/13/39/585461339.db2.gz FYHOMNWMAKHERA-QMMMGPOBSA-N 1 2 213.281 -0.715 20 0 BBADLO CCCNC(=O)[C@@H](C)[N@@H+](CC)CC(=O)NC ZINC000764202496 585461608 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CC(C)NC(=O)CO[NH+]=C(N)CCO ZINC000768493416 585539289 /nfs/dbraw/zinc/53/92/89/585539289.db2.gz CVTNIESOXYCEAZ-UHFFFAOYSA-N 1 2 203.242 -0.608 20 0 BBADLO NC(CCO)=[NH+]OCC(=O)NC1CC1 ZINC000768493563 585539427 /nfs/dbraw/zinc/53/94/27/585539427.db2.gz JMLLHECHUAHAQH-UHFFFAOYSA-N 1 2 201.226 -0.854 20 0 BBADLO NC(CCO)=[NH+]OCC(=O)N1CCCC1 ZINC000768493664 585539291 /nfs/dbraw/zinc/53/92/91/585539291.db2.gz OQGXAZKORXNYFH-UHFFFAOYSA-N 1 2 215.253 -0.510 20 0 BBADLO NC(CCO)=[NH+]OCC(=O)NCC(F)(F)F ZINC000768493747 585539363 /nfs/dbraw/zinc/53/93/63/585539363.db2.gz WNFVCQQRFXENFP-UHFFFAOYSA-N 1 2 243.185 -0.454 20 0 BBADLO CC(C)(C)OCC(N)=[NH+]OCC(N)=O ZINC000768932607 585546218 /nfs/dbraw/zinc/54/62/18/585546218.db2.gz BUUVVCQXXIIHQQ-UHFFFAOYSA-N 1 2 203.242 -0.215 20 0 BBADLO C(C1OCCO1)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000769219327 585551284 /nfs/dbraw/zinc/55/12/84/585551284.db2.gz CPOACISCWZUBJT-LLVKDONJSA-N 1 2 229.276 -0.149 20 0 BBADLO C(C1OCCO1)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000769219327 585551283 /nfs/dbraw/zinc/55/12/83/585551283.db2.gz CPOACISCWZUBJT-LLVKDONJSA-N 1 2 229.276 -0.149 20 0 BBADLO C(C1OCCO1)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000769219328 585551108 /nfs/dbraw/zinc/55/11/08/585551108.db2.gz CPOACISCWZUBJT-NSHDSACASA-N 1 2 229.276 -0.149 20 0 BBADLO C(C1OCCO1)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000769219328 585551107 /nfs/dbraw/zinc/55/11/07/585551107.db2.gz CPOACISCWZUBJT-NSHDSACASA-N 1 2 229.276 -0.149 20 0 BBADLO CON(C)C(=O)C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000769223968 585551176 /nfs/dbraw/zinc/55/11/76/585551176.db2.gz YXOJKIKUTXDBET-LLVKDONJSA-N 1 2 244.291 -0.503 20 0 BBADLO CON(C)C(=O)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000769223968 585551175 /nfs/dbraw/zinc/55/11/75/585551175.db2.gz YXOJKIKUTXDBET-LLVKDONJSA-N 1 2 244.291 -0.503 20 0 BBADLO CON(C)C(=O)C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000769223978 585551389 /nfs/dbraw/zinc/55/13/89/585551389.db2.gz YXOJKIKUTXDBET-NSHDSACASA-N 1 2 244.291 -0.503 20 0 BBADLO CON(C)C(=O)C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000769223978 585551388 /nfs/dbraw/zinc/55/13/88/585551388.db2.gz YXOJKIKUTXDBET-NSHDSACASA-N 1 2 244.291 -0.503 20 0 BBADLO Cn1nncc1C[N@H+]1CCC2(C1)OCCO2 ZINC000769317934 585553719 /nfs/dbraw/zinc/55/37/19/585553719.db2.gz BHKKCUMLPVHCLO-UHFFFAOYSA-N 1 2 224.264 -0.236 20 0 BBADLO Cn1nncc1C[N@@H+]1CCC2(C1)OCCO2 ZINC000769317934 585553718 /nfs/dbraw/zinc/55/37/18/585553718.db2.gz BHKKCUMLPVHCLO-UHFFFAOYSA-N 1 2 224.264 -0.236 20 0 BBADLO CC(C)(C(N)=O)C(=O)OCCn1cc[nH+]c1 ZINC000769677307 585561531 /nfs/dbraw/zinc/56/15/31/585561531.db2.gz PTSTXDBMTYBAHA-UHFFFAOYSA-N 1 2 225.248 -0.062 20 0 BBADLO CC(C)(C(N)=O)C(=O)OCC[NH+]1CCOCC1 ZINC000769686038 585561770 /nfs/dbraw/zinc/56/17/70/585561770.db2.gz AGGFTSWNXIPREQ-UHFFFAOYSA-N 1 2 244.291 -0.627 20 0 BBADLO CNC(=S)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000769793285 585563581 /nfs/dbraw/zinc/56/35/81/585563581.db2.gz MBFPHQGCAJLOBM-HTQZYQBOSA-N 1 2 217.338 -0.201 20 0 BBADLO CNC(=S)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000769793285 585563580 /nfs/dbraw/zinc/56/35/80/585563580.db2.gz MBFPHQGCAJLOBM-HTQZYQBOSA-N 1 2 217.338 -0.201 20 0 BBADLO CNC(=S)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000769793311 585563739 /nfs/dbraw/zinc/56/37/39/585563739.db2.gz MBFPHQGCAJLOBM-JGVFFNPUSA-N 1 2 217.338 -0.201 20 0 BBADLO CNC(=S)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000769793311 585563738 /nfs/dbraw/zinc/56/37/38/585563738.db2.gz MBFPHQGCAJLOBM-JGVFFNPUSA-N 1 2 217.338 -0.201 20 0 BBADLO CNC(=S)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000769793313 585563709 /nfs/dbraw/zinc/56/37/09/585563709.db2.gz MBFPHQGCAJLOBM-SFYZADRCSA-N 1 2 217.338 -0.201 20 0 BBADLO CNC(=S)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000769793313 585563708 /nfs/dbraw/zinc/56/37/08/585563708.db2.gz MBFPHQGCAJLOBM-SFYZADRCSA-N 1 2 217.338 -0.201 20 0 BBADLO CNC(=S)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000769793315 585563595 /nfs/dbraw/zinc/56/35/95/585563595.db2.gz MBFPHQGCAJLOBM-YUMQZZPRSA-N 1 2 217.338 -0.201 20 0 BBADLO CNC(=S)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000769793315 585563594 /nfs/dbraw/zinc/56/35/94/585563594.db2.gz MBFPHQGCAJLOBM-YUMQZZPRSA-N 1 2 217.338 -0.201 20 0 BBADLO CC(C)OCC(N)=[NH+]O[C@@H]1CCNC1=O ZINC000769877486 585566036 /nfs/dbraw/zinc/56/60/36/585566036.db2.gz KGAFMTSNYCOWFC-SSDOTTSWSA-N 1 2 215.253 -0.202 20 0 BBADLO CO[C@@H](C)C(N)=[NH+]O[C@@H]1CCNC1=O ZINC000769879313 585565250 /nfs/dbraw/zinc/56/52/50/585565250.db2.gz SUWCROMILLSQBY-NTSWFWBYSA-N 1 2 201.226 -0.592 20 0 BBADLO CO[C@H](C)C(N)=[NH+]O[C@@H]1CCNC1=O ZINC000769879314 585565283 /nfs/dbraw/zinc/56/52/83/585565283.db2.gz SUWCROMILLSQBY-PHDIDXHHSA-N 1 2 201.226 -0.592 20 0 BBADLO CO[C@H](C)C(N)=[NH+]O[C@H]1CCNC1=O ZINC000769879315 585565114 /nfs/dbraw/zinc/56/51/14/585565114.db2.gz SUWCROMILLSQBY-RITPCOANSA-N 1 2 201.226 -0.592 20 0 BBADLO CO[C@@H](C)C(N)=[NH+]O[C@H]1CCNC1=O ZINC000769879316 585565490 /nfs/dbraw/zinc/56/54/90/585565490.db2.gz SUWCROMILLSQBY-WDSKDSINSA-N 1 2 201.226 -0.592 20 0 BBADLO O=C1O[C@@H](C[N@@H+]2CCOC[C@H]2CO)CC12CC2 ZINC000769902948 585566341 /nfs/dbraw/zinc/56/63/41/585566341.db2.gz FSTDJDGQCLWFLN-NXEZZACHSA-N 1 2 241.287 -0.225 20 0 BBADLO O=C1O[C@@H](C[N@H+]2CCOC[C@H]2CO)CC12CC2 ZINC000769902948 585566340 /nfs/dbraw/zinc/56/63/40/585566340.db2.gz FSTDJDGQCLWFLN-NXEZZACHSA-N 1 2 241.287 -0.225 20 0 BBADLO O=C1O[C@H](C[N@@H+]2CCOC[C@H]2CO)CC12CC2 ZINC000769902950 585566401 /nfs/dbraw/zinc/56/64/01/585566401.db2.gz FSTDJDGQCLWFLN-ZJUUUORDSA-N 1 2 241.287 -0.225 20 0 BBADLO O=C1O[C@H](C[N@H+]2CCOC[C@H]2CO)CC12CC2 ZINC000769902950 585566400 /nfs/dbraw/zinc/56/64/00/585566400.db2.gz FSTDJDGQCLWFLN-ZJUUUORDSA-N 1 2 241.287 -0.225 20 0 BBADLO O=C1OCC[C@H]1CC[N@@H+]1CCOC[C@H]1CO ZINC000769903165 585566311 /nfs/dbraw/zinc/56/63/11/585566311.db2.gz JAPCMMUIDPQNPK-NXEZZACHSA-N 1 2 229.276 -0.367 20 0 BBADLO O=C1OCC[C@H]1CC[N@H+]1CCOC[C@H]1CO ZINC000769903165 585566310 /nfs/dbraw/zinc/56/63/10/585566310.db2.gz JAPCMMUIDPQNPK-NXEZZACHSA-N 1 2 229.276 -0.367 20 0 BBADLO O=C1OCC[C@@H]1CC[N@@H+]1CCOC[C@H]1CO ZINC000769903167 585566328 /nfs/dbraw/zinc/56/63/28/585566328.db2.gz JAPCMMUIDPQNPK-VHSXEESVSA-N 1 2 229.276 -0.367 20 0 BBADLO O=C1OCC[C@@H]1CC[N@H+]1CCOC[C@H]1CO ZINC000769903167 585566327 /nfs/dbraw/zinc/56/63/27/585566327.db2.gz JAPCMMUIDPQNPK-VHSXEESVSA-N 1 2 229.276 -0.367 20 0 BBADLO OC1CN(CCF)CC[N@@H+](CCF)C1 ZINC000769923353 585566602 /nfs/dbraw/zinc/56/66/02/585566602.db2.gz LKHZOGMRHRVALT-UHFFFAOYSA-N 1 2 208.252 -0.096 20 0 BBADLO OC1CN(CCF)CC[N@H+](CCF)C1 ZINC000769923353 585566601 /nfs/dbraw/zinc/56/66/01/585566601.db2.gz LKHZOGMRHRVALT-UHFFFAOYSA-N 1 2 208.252 -0.096 20 0 BBADLO COC(=O)[C@@]1(F)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000769933692 585566566 /nfs/dbraw/zinc/56/65/66/585566566.db2.gz KWZBCIXEJUQITE-GMSGAONNSA-N 1 2 230.239 -0.538 20 0 BBADLO COC(=O)[C@@]1(F)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000769933692 585566565 /nfs/dbraw/zinc/56/65/65/585566565.db2.gz KWZBCIXEJUQITE-GMSGAONNSA-N 1 2 230.239 -0.538 20 0 BBADLO COC(=O)[C@@]1(F)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC000769933697 585566725 /nfs/dbraw/zinc/56/67/25/585566725.db2.gz KWZBCIXEJUQITE-OIBJUYFYSA-N 1 2 230.239 -0.538 20 0 BBADLO COC(=O)[C@@]1(F)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000769933697 585566724 /nfs/dbraw/zinc/56/67/24/585566724.db2.gz KWZBCIXEJUQITE-OIBJUYFYSA-N 1 2 230.239 -0.538 20 0 BBADLO COC(=O)[C@]1(F)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000769933699 585566536 /nfs/dbraw/zinc/56/65/36/585566536.db2.gz KWZBCIXEJUQITE-XCBNKYQSSA-N 1 2 230.239 -0.538 20 0 BBADLO COC(=O)[C@]1(F)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000769933699 585566535 /nfs/dbraw/zinc/56/65/35/585566535.db2.gz KWZBCIXEJUQITE-XCBNKYQSSA-N 1 2 230.239 -0.538 20 0 BBADLO COC(=O)[C@]1(F)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC000769933700 585566526 /nfs/dbraw/zinc/56/65/26/585566526.db2.gz KWZBCIXEJUQITE-XVKPBYJWSA-N 1 2 230.239 -0.538 20 0 BBADLO COC(=O)[C@]1(F)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000769933700 585566525 /nfs/dbraw/zinc/56/65/25/585566525.db2.gz KWZBCIXEJUQITE-XVKPBYJWSA-N 1 2 230.239 -0.538 20 0 BBADLO COC(=O)C1(O)CC[NH+](CCF)CC1 ZINC000769973192 585567862 /nfs/dbraw/zinc/56/78/62/585567862.db2.gz FXICYJUUUJGNEA-UHFFFAOYSA-N 1 2 205.229 -0.044 20 0 BBADLO C[N@H+]1CCCC[C@@H]1C(=O)O[C@H]1CCNC1=O ZINC000770020382 585569493 /nfs/dbraw/zinc/56/94/93/585569493.db2.gz FFDLQUCCIFFPOO-BDAKNGLRSA-N 1 2 226.276 -0.098 20 0 BBADLO C[N@@H+]1CCCC[C@@H]1C(=O)O[C@H]1CCNC1=O ZINC000770020382 585569492 /nfs/dbraw/zinc/56/94/92/585569492.db2.gz FFDLQUCCIFFPOO-BDAKNGLRSA-N 1 2 226.276 -0.098 20 0 BBADLO C[N@H+]1CCCC[C@H]1C(=O)O[C@@H]1CCNC1=O ZINC000770020383 585569589 /nfs/dbraw/zinc/56/95/89/585569589.db2.gz FFDLQUCCIFFPOO-DTWKUNHWSA-N 1 2 226.276 -0.098 20 0 BBADLO C[N@@H+]1CCCC[C@H]1C(=O)O[C@@H]1CCNC1=O ZINC000770020383 585569588 /nfs/dbraw/zinc/56/95/88/585569588.db2.gz FFDLQUCCIFFPOO-DTWKUNHWSA-N 1 2 226.276 -0.098 20 0 BBADLO C[N@H+]1CCCC[C@H]1C(=O)O[C@H]1CCNC1=O ZINC000770020384 585569460 /nfs/dbraw/zinc/56/94/60/585569460.db2.gz FFDLQUCCIFFPOO-IUCAKERBSA-N 1 2 226.276 -0.098 20 0 BBADLO C[N@@H+]1CCCC[C@H]1C(=O)O[C@H]1CCNC1=O ZINC000770020384 585569459 /nfs/dbraw/zinc/56/94/59/585569459.db2.gz FFDLQUCCIFFPOO-IUCAKERBSA-N 1 2 226.276 -0.098 20 0 BBADLO C[N@H+]1CCCC[C@@H]1C(=O)O[C@@H]1CCNC1=O ZINC000770020385 585569532 /nfs/dbraw/zinc/56/95/32/585569532.db2.gz FFDLQUCCIFFPOO-RKDXNWHRSA-N 1 2 226.276 -0.098 20 0 BBADLO C[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H]1CCNC1=O ZINC000770020385 585569531 /nfs/dbraw/zinc/56/95/31/585569531.db2.gz FFDLQUCCIFFPOO-RKDXNWHRSA-N 1 2 226.276 -0.098 20 0 BBADLO C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C(N)=O ZINC000770058011 585570367 /nfs/dbraw/zinc/57/03/67/585570367.db2.gz POYUCRWKYXZVPQ-SSDOTTSWSA-N 1 2 232.243 -0.062 20 0 BBADLO C[C@H](NC(=O)c1cccc2[nH+]ccn21)C(N)=O ZINC000770058012 585570429 /nfs/dbraw/zinc/57/04/29/585570429.db2.gz POYUCRWKYXZVPQ-ZETCQYMHSA-N 1 2 232.243 -0.062 20 0 BBADLO Cc1nonc1CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000770194960 585571266 /nfs/dbraw/zinc/57/12/66/585571266.db2.gz FVXABDMDAKSKEW-MNOVXSKESA-N 1 2 238.291 -0.107 20 0 BBADLO Cc1nonc1CN1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000770194960 585571265 /nfs/dbraw/zinc/57/12/65/585571265.db2.gz FVXABDMDAKSKEW-MNOVXSKESA-N 1 2 238.291 -0.107 20 0 BBADLO Cc1nonc1CN1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000770194961 585571288 /nfs/dbraw/zinc/57/12/88/585571288.db2.gz FVXABDMDAKSKEW-QWRGUYRKSA-N 1 2 238.291 -0.107 20 0 BBADLO Cc1nonc1CN1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000770194961 585571287 /nfs/dbraw/zinc/57/12/87/585571287.db2.gz FVXABDMDAKSKEW-QWRGUYRKSA-N 1 2 238.291 -0.107 20 0 BBADLO CN(C)C(=O)NCC[N@@H+](C)[C@@H]1CCOC1=O ZINC000770264108 585572094 /nfs/dbraw/zinc/57/20/94/585572094.db2.gz GFZKVPMFTRWEHK-MRVPVSSYSA-N 1 2 229.280 -0.495 20 0 BBADLO CN(C)C(=O)NCC[N@H+](C)[C@@H]1CCOC1=O ZINC000770264108 585572093 /nfs/dbraw/zinc/57/20/93/585572093.db2.gz GFZKVPMFTRWEHK-MRVPVSSYSA-N 1 2 229.280 -0.495 20 0 BBADLO CN(C)C(=O)NCC[N@@H+](C)[C@H]1CCOC1=O ZINC000770264116 585572254 /nfs/dbraw/zinc/57/22/54/585572254.db2.gz GFZKVPMFTRWEHK-QMMMGPOBSA-N 1 2 229.280 -0.495 20 0 BBADLO CN(C)C(=O)NCC[N@H+](C)[C@H]1CCOC1=O ZINC000770264116 585572253 /nfs/dbraw/zinc/57/22/53/585572253.db2.gz GFZKVPMFTRWEHK-QMMMGPOBSA-N 1 2 229.280 -0.495 20 0 BBADLO Cn1c(Cl)cnc1C[N@@H+](C)C[C@H](O)CO ZINC000770264921 585572418 /nfs/dbraw/zinc/57/24/18/585572418.db2.gz PCRRQFQOIMHEOC-ZETCQYMHSA-N 1 2 233.699 -0.142 20 0 BBADLO Cn1c(Cl)cnc1C[N@H+](C)C[C@H](O)CO ZINC000770264921 585572417 /nfs/dbraw/zinc/57/24/17/585572417.db2.gz PCRRQFQOIMHEOC-ZETCQYMHSA-N 1 2 233.699 -0.142 20 0 BBADLO Cc1cc(C[N@@H+](C)C[C@H](O)CO)no1 ZINC000770265745 585572390 /nfs/dbraw/zinc/57/23/90/585572390.db2.gz QLDIIHACZGZYAE-VIFPVBQESA-N 1 2 200.238 -0.232 20 0 BBADLO Cc1cc(C[N@H+](C)C[C@H](O)CO)no1 ZINC000770265745 585572389 /nfs/dbraw/zinc/57/23/89/585572389.db2.gz QLDIIHACZGZYAE-VIFPVBQESA-N 1 2 200.238 -0.232 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CO ZINC000770266489 585572562 /nfs/dbraw/zinc/57/25/62/585572562.db2.gz XPEZJNIKIMHYDI-YUMQZZPRSA-N 1 2 205.254 -0.777 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@H](O)CO ZINC000770266489 585572561 /nfs/dbraw/zinc/57/25/61/585572561.db2.gz XPEZJNIKIMHYDI-YUMQZZPRSA-N 1 2 205.254 -0.777 20 0 BBADLO O=C(Cn1cc[nH+]c1)N[C@H](CO)C1CC1 ZINC000771020360 585587464 /nfs/dbraw/zinc/58/74/64/585587464.db2.gz PIINYKIKJZFROK-SECBINFHSA-N 1 2 209.249 -0.230 20 0 BBADLO O=C(Cn1cc[nH+]c1)N[C@@H](CO)C1CC1 ZINC000771020361 585587457 /nfs/dbraw/zinc/58/74/57/585587457.db2.gz PIINYKIKJZFROK-VIFPVBQESA-N 1 2 209.249 -0.230 20 0 BBADLO NC(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000771260164 585591818 /nfs/dbraw/zinc/59/18/18/585591818.db2.gz JXYCOOYCNCYIGM-UHFFFAOYSA-N 1 2 208.221 -0.392 20 0 BBADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CCF)C1 ZINC000771467573 585594549 /nfs/dbraw/zinc/59/45/49/585594549.db2.gz UBXDZTVWTYMMGC-MRVPVSSYSA-N 1 2 224.301 -0.031 20 0 BBADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CCF)C1 ZINC000771467573 585594548 /nfs/dbraw/zinc/59/45/48/585594548.db2.gz UBXDZTVWTYMMGC-MRVPVSSYSA-N 1 2 224.301 -0.031 20 0 BBADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CCF)C1 ZINC000771467631 585594998 /nfs/dbraw/zinc/59/49/98/585594998.db2.gz UBXDZTVWTYMMGC-QMMMGPOBSA-N 1 2 224.301 -0.031 20 0 BBADLO CCNS(=O)(=O)[C@H]1CC[N@H+](CCF)C1 ZINC000771467631 585594997 /nfs/dbraw/zinc/59/49/97/585594997.db2.gz UBXDZTVWTYMMGC-QMMMGPOBSA-N 1 2 224.301 -0.031 20 0 BBADLO CCOCC[N@@H+](C)CN1C(=O)C(=O)N(C)C1=O ZINC000771634856 585598190 /nfs/dbraw/zinc/59/81/90/585598190.db2.gz DDVASGGHBSBKNX-UHFFFAOYSA-N 1 2 243.263 -0.667 20 0 BBADLO CCOCC[N@H+](C)CN1C(=O)C(=O)N(C)C1=O ZINC000771634856 585598189 /nfs/dbraw/zinc/59/81/89/585598189.db2.gz DDVASGGHBSBKNX-UHFFFAOYSA-N 1 2 243.263 -0.667 20 0 BBADLO O=C(OCCn1cc[nH+]c1)C1=NNC(=O)CC1 ZINC000771851098 585602603 /nfs/dbraw/zinc/60/26/03/585602603.db2.gz MNAVJUZTAAGBJD-UHFFFAOYSA-N 1 2 236.231 -0.308 20 0 BBADLO CC(=O)N(C)CC(=O)OCCn1cc[nH+]c1 ZINC000771902822 585604125 /nfs/dbraw/zinc/60/41/25/585604125.db2.gz FFCLUJNIZBOWAY-UHFFFAOYSA-N 1 2 225.248 -0.095 20 0 BBADLO O=C(CNC(=O)C1CC1)OCCn1cc[nH+]c1 ZINC000771914104 585604456 /nfs/dbraw/zinc/60/44/56/585604456.db2.gz ABVCUEPQPXXDSP-UHFFFAOYSA-N 1 2 237.259 -0.048 20 0 BBADLO C[C@H](C(=O)OCCn1cc[nH+]c1)S(C)(=O)=O ZINC000771919311 585604468 /nfs/dbraw/zinc/60/44/68/585604468.db2.gz PUEXTSTUURPHJA-MRVPVSSYSA-N 1 2 246.288 -0.141 20 0 BBADLO C[C@@H](C(=O)OCCn1cc[nH+]c1)S(C)(=O)=O ZINC000771919312 585604386 /nfs/dbraw/zinc/60/43/86/585604386.db2.gz PUEXTSTUURPHJA-QMMMGPOBSA-N 1 2 246.288 -0.141 20 0 BBADLO CCS(=O)(=O)CC(=O)OCCn1cc[nH+]c1 ZINC000771931128 585604584 /nfs/dbraw/zinc/60/45/84/585604584.db2.gz PEZXLABVMKZRNI-UHFFFAOYSA-N 1 2 246.288 -0.139 20 0 BBADLO NC(=O)C1(C(=O)OCCn2cc[nH+]c2)CC1 ZINC000771957415 585605586 /nfs/dbraw/zinc/60/55/86/585605586.db2.gz ICFMIOLJYSXVGU-UHFFFAOYSA-N 1 2 223.232 -0.308 20 0 BBADLO O=C(OCCn1cc[nH+]c1)[C@H]1CNC(=O)N1 ZINC000771958129 585605523 /nfs/dbraw/zinc/60/55/23/585605523.db2.gz LDIGGMCQCAXRIY-SSDOTTSWSA-N 1 2 224.220 -0.892 20 0 BBADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CNC(=O)N1 ZINC000771958130 585605626 /nfs/dbraw/zinc/60/56/26/585605626.db2.gz LDIGGMCQCAXRIY-ZETCQYMHSA-N 1 2 224.220 -0.892 20 0 BBADLO CNC(=O)C1(C(=O)OCCn2cc[nH+]c2)CC1 ZINC000771960028 585605621 /nfs/dbraw/zinc/60/56/21/585605621.db2.gz SRYUZYIZBDRINU-UHFFFAOYSA-N 1 2 237.259 -0.048 20 0 BBADLO COC[C@](C)(O)C(=O)OCCn1cc[nH+]c1 ZINC000771978313 585605980 /nfs/dbraw/zinc/60/59/80/585605980.db2.gz YGQXFQJZAQOJSO-JTQLQIEISA-N 1 2 228.248 -0.176 20 0 BBADLO COC[C@@](C)(O)C(=O)OCCn1cc[nH+]c1 ZINC000771978314 585606165 /nfs/dbraw/zinc/60/61/65/585606165.db2.gz YGQXFQJZAQOJSO-SNVBAGLBSA-N 1 2 228.248 -0.176 20 0 BBADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CCNC(=O)C1 ZINC000772005888 585606757 /nfs/dbraw/zinc/60/67/57/585606757.db2.gz WWODBXRNCNEDBG-SECBINFHSA-N 1 2 237.259 -0.048 20 0 BBADLO O=C(OCCn1cc[nH+]c1)[C@H]1CCNC(=O)C1 ZINC000772005890 585606783 /nfs/dbraw/zinc/60/67/83/585606783.db2.gz WWODBXRNCNEDBG-VIFPVBQESA-N 1 2 237.259 -0.048 20 0 BBADLO COC[C@@H](O)C(=O)OCCn1cc[nH+]c1 ZINC000772039659 585607510 /nfs/dbraw/zinc/60/75/10/585607510.db2.gz YICWYBQQTDKMIM-MRVPVSSYSA-N 1 2 214.221 -0.566 20 0 BBADLO COC[C@H](O)C(=O)OCCn1cc[nH+]c1 ZINC000772039660 585607531 /nfs/dbraw/zinc/60/75/31/585607531.db2.gz YICWYBQQTDKMIM-QMMMGPOBSA-N 1 2 214.221 -0.566 20 0 BBADLO CNC(=O)COC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000772048090 585607451 /nfs/dbraw/zinc/60/74/51/585607451.db2.gz KSSADEWSTUICLR-MRVPVSSYSA-N 1 2 246.332 -0.287 20 0 BBADLO CNC(=O)COC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000772048090 585607450 /nfs/dbraw/zinc/60/74/50/585607450.db2.gz KSSADEWSTUICLR-MRVPVSSYSA-N 1 2 246.332 -0.287 20 0 BBADLO CNC(=O)COC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000772048100 585607361 /nfs/dbraw/zinc/60/73/61/585607361.db2.gz KSSADEWSTUICLR-QMMMGPOBSA-N 1 2 246.332 -0.287 20 0 BBADLO CNC(=O)COC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000772048100 585607360 /nfs/dbraw/zinc/60/73/60/585607360.db2.gz KSSADEWSTUICLR-QMMMGPOBSA-N 1 2 246.332 -0.287 20 0 BBADLO C[C@@H](OC(=O)C[N@@H+](C)[C@H]1CCSC1)C(N)=O ZINC000772057545 585607671 /nfs/dbraw/zinc/60/76/71/585607671.db2.gz CSIXTZIBHPMJOO-SFYZADRCSA-N 1 2 246.332 -0.159 20 0 BBADLO C[C@@H](OC(=O)C[N@H+](C)[C@H]1CCSC1)C(N)=O ZINC000772057545 585607670 /nfs/dbraw/zinc/60/76/70/585607670.db2.gz CSIXTZIBHPMJOO-SFYZADRCSA-N 1 2 246.332 -0.159 20 0 BBADLO C[C@H](OC(=O)C[N@@H+](C)[C@H]1CCSC1)C(N)=O ZINC000772057563 585607664 /nfs/dbraw/zinc/60/76/64/585607664.db2.gz CSIXTZIBHPMJOO-YUMQZZPRSA-N 1 2 246.332 -0.159 20 0 BBADLO C[C@H](OC(=O)C[N@H+](C)[C@H]1CCSC1)C(N)=O ZINC000772057563 585607663 /nfs/dbraw/zinc/60/76/63/585607663.db2.gz CSIXTZIBHPMJOO-YUMQZZPRSA-N 1 2 246.332 -0.159 20 0 BBADLO CN1CC[C@@H](C(=O)OCCn2cc[nH+]c2)C1=O ZINC000772519677 585617477 /nfs/dbraw/zinc/61/74/77/585617477.db2.gz LJIRJUDCAATVPP-SECBINFHSA-N 1 2 237.259 -0.095 20 0 BBADLO CN1CC[C@H](C(=O)OCCn2cc[nH+]c2)C1=O ZINC000772519680 585617619 /nfs/dbraw/zinc/61/76/19/585617619.db2.gz LJIRJUDCAATVPP-VIFPVBQESA-N 1 2 237.259 -0.095 20 0 BBADLO NC(=O)CONC(=O)c1cccc2[nH+]ccn21 ZINC000772940807 585628109 /nfs/dbraw/zinc/62/81/09/585628109.db2.gz VAGAQYRGQYKCOX-UHFFFAOYSA-N 1 2 234.215 -0.519 20 0 BBADLO Cn1cc[nH+]c1CNS(=O)(=O)NC1CC1 ZINC000772943329 585627957 /nfs/dbraw/zinc/62/79/57/585627957.db2.gz PBORBBQVTMAQSU-UHFFFAOYSA-N 1 2 230.293 -0.494 20 0 BBADLO NC(=O)CONC(=O)c1ccc2[nH+]ccn2c1 ZINC000772948097 585627899 /nfs/dbraw/zinc/62/78/99/585627899.db2.gz FQIJNHNKILMVOV-UHFFFAOYSA-N 1 2 234.215 -0.519 20 0 BBADLO CON(C)CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000773179287 585633283 /nfs/dbraw/zinc/63/32/83/585633283.db2.gz DUHDXXWSMOKPQS-UHFFFAOYSA-N 1 2 212.253 -0.059 20 0 BBADLO CC(C)=CC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000773371132 585635424 /nfs/dbraw/zinc/63/54/24/585635424.db2.gz SEUVOSLRNZQWKY-LLVKDONJSA-N 1 2 242.319 -0.238 20 0 BBADLO CC(C)=CC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000773371134 585635385 /nfs/dbraw/zinc/63/53/85/585635385.db2.gz SEUVOSLRNZQWKY-NSHDSACASA-N 1 2 242.319 -0.238 20 0 BBADLO CC(=O)N(C)CC(=O)NOC1CC[NH+](C)CC1 ZINC000773550315 585639526 /nfs/dbraw/zinc/63/95/26/585639526.db2.gz BPCHGBGMXCJOET-UHFFFAOYSA-N 1 2 243.307 -0.393 20 0 BBADLO CC(=O)CC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000773572648 585640769 /nfs/dbraw/zinc/64/07/69/585640769.db2.gz KFYYQBMJYAIGGI-MRVPVSSYSA-N 1 2 216.306 -0.132 20 0 BBADLO CC(=O)CC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000773572648 585640768 /nfs/dbraw/zinc/64/07/68/585640768.db2.gz KFYYQBMJYAIGGI-MRVPVSSYSA-N 1 2 216.306 -0.132 20 0 BBADLO CC(=O)CC[N@H+]1CCSC[C@H]1C(N)=O ZINC000773572651 585640774 /nfs/dbraw/zinc/64/07/74/585640774.db2.gz KFYYQBMJYAIGGI-QMMMGPOBSA-N 1 2 216.306 -0.132 20 0 BBADLO CC(=O)CC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000773572651 585640773 /nfs/dbraw/zinc/64/07/73/585640773.db2.gz KFYYQBMJYAIGGI-QMMMGPOBSA-N 1 2 216.306 -0.132 20 0 BBADLO Cn1cc([C@H](O)C(=O)N2CC[NH+](C)CC2)cn1 ZINC000773690466 585642617 /nfs/dbraw/zinc/64/26/17/585642617.db2.gz YQPACFSIZGQAOO-JTQLQIEISA-N 1 2 238.291 -0.773 20 0 BBADLO Cn1cc([C@@H](O)C(=O)N2CC[NH+](C)CC2)cn1 ZINC000773690467 585642707 /nfs/dbraw/zinc/64/27/07/585642707.db2.gz YQPACFSIZGQAOO-SNVBAGLBSA-N 1 2 238.291 -0.773 20 0 BBADLO CC(CO)(CO)NC(=O)c1cccc2[nH+]ccn21 ZINC000773768817 585643607 /nfs/dbraw/zinc/64/36/07/585643607.db2.gz RRLPBNSZLKPCAF-UHFFFAOYSA-N 1 2 249.270 -0.193 20 0 BBADLO Cn1c[nH+]cc1CCNC(=O)C1=COCCO1 ZINC000773853359 585644977 /nfs/dbraw/zinc/64/49/77/585644977.db2.gz QLESHNOLBNXTEX-UHFFFAOYSA-N 1 2 237.259 -0.033 20 0 BBADLO CC(C)C1(O)C[NH+](CCNS(C)(=O)=O)C1 ZINC000773890403 585645851 /nfs/dbraw/zinc/64/58/51/585645851.db2.gz GXAIPQDQKXMRFU-UHFFFAOYSA-N 1 2 236.337 -0.762 20 0 BBADLO NC(=O)COC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000774003579 585648168 /nfs/dbraw/zinc/64/81/68/585648168.db2.gz WZSMODASJLLVIV-UHFFFAOYSA-N 1 2 246.226 -0.091 20 0 BBADLO Cn1c[nH+]cc1COC(=O)[C@@H]1CCN(C)C1=O ZINC000774140857 585651650 /nfs/dbraw/zinc/65/16/50/585651650.db2.gz VQFLEFQVAQYPKU-SECBINFHSA-N 1 2 237.259 -0.058 20 0 BBADLO Cn1c[nH+]cc1COC(=O)[C@H]1CCN(C)C1=O ZINC000774140859 585651449 /nfs/dbraw/zinc/65/14/49/585651449.db2.gz VQFLEFQVAQYPKU-VIFPVBQESA-N 1 2 237.259 -0.058 20 0 BBADLO C[C@H](O)CN(C)C(=O)NCC[NH+]1CCOCC1 ZINC000774143883 585651702 /nfs/dbraw/zinc/65/17/02/585651702.db2.gz BASRWCLAUFEYJH-JTQLQIEISA-N 1 2 245.323 -0.659 20 0 BBADLO C[C@@H](O)CN(C)C(=O)NCC[NH+]1CCOCC1 ZINC000774143885 585651721 /nfs/dbraw/zinc/65/17/21/585651721.db2.gz BASRWCLAUFEYJH-SNVBAGLBSA-N 1 2 245.323 -0.659 20 0 BBADLO O=C(CO)NCc1cccnc1-n1cc[nH+]c1 ZINC000774364859 585656939 /nfs/dbraw/zinc/65/69/39/585656939.db2.gz ZXACPKVRDPHBBZ-UHFFFAOYSA-N 1 2 232.243 -0.124 20 0 BBADLO O=C(CO)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000774388249 585657108 /nfs/dbraw/zinc/65/71/08/585657108.db2.gz LVZOCYDQKOGGCX-UHFFFAOYSA-N 1 2 232.243 -0.124 20 0 BBADLO CC[N@@H+](CC(=O)N(C)C)CC(=O)N(C)OC ZINC000774554725 585661316 /nfs/dbraw/zinc/66/13/16/585661316.db2.gz CROCBZLQFMJDLQ-UHFFFAOYSA-N 1 2 231.296 -0.584 20 0 BBADLO CC[N@H+](CC(=O)N(C)C)CC(=O)N(C)OC ZINC000774554725 585661315 /nfs/dbraw/zinc/66/13/15/585661315.db2.gz CROCBZLQFMJDLQ-UHFFFAOYSA-N 1 2 231.296 -0.584 20 0 BBADLO CC[N@@H+](CC(=O)NC)CC(=O)N(C)OC ZINC000774567271 585661234 /nfs/dbraw/zinc/66/12/34/585661234.db2.gz SSANZYNVOFSPIN-UHFFFAOYSA-N 1 2 217.269 -0.926 20 0 BBADLO CC[N@H+](CC(=O)NC)CC(=O)N(C)OC ZINC000774567271 585661233 /nfs/dbraw/zinc/66/12/33/585661233.db2.gz SSANZYNVOFSPIN-UHFFFAOYSA-N 1 2 217.269 -0.926 20 0 BBADLO CON(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000774622195 585662302 /nfs/dbraw/zinc/66/23/02/585662302.db2.gz GLGYBWKZKXCSGG-MRVPVSSYSA-N 1 2 229.280 -0.831 20 0 BBADLO CON(C)C(=O)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000774622195 585662301 /nfs/dbraw/zinc/66/23/01/585662301.db2.gz GLGYBWKZKXCSGG-MRVPVSSYSA-N 1 2 229.280 -0.831 20 0 BBADLO CON(C)C(=O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000774622200 585662338 /nfs/dbraw/zinc/66/23/38/585662338.db2.gz GLGYBWKZKXCSGG-QMMMGPOBSA-N 1 2 229.280 -0.831 20 0 BBADLO CON(C)C(=O)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000774622200 585662337 /nfs/dbraw/zinc/66/23/37/585662337.db2.gz GLGYBWKZKXCSGG-QMMMGPOBSA-N 1 2 229.280 -0.831 20 0 BBADLO CON(C)C(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000774639136 585662737 /nfs/dbraw/zinc/66/27/37/585662737.db2.gz HZQZITBFXICYQU-DTORHVGOSA-N 1 2 214.265 -0.131 20 0 BBADLO CON(C)C(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000774639136 585662736 /nfs/dbraw/zinc/66/27/36/585662736.db2.gz HZQZITBFXICYQU-DTORHVGOSA-N 1 2 214.265 -0.131 20 0 BBADLO CON(C)C(=O)C[N@H+]1CCN(C(C)=O)C[C@H]1C ZINC000774661754 585662793 /nfs/dbraw/zinc/66/27/93/585662793.db2.gz YRLYYBXWDULIPS-SECBINFHSA-N 1 2 243.307 -0.441 20 0 BBADLO CON(C)C(=O)C[N@@H+]1CCN(C(C)=O)C[C@H]1C ZINC000774661754 585662792 /nfs/dbraw/zinc/66/27/92/585662792.db2.gz YRLYYBXWDULIPS-SECBINFHSA-N 1 2 243.307 -0.441 20 0 BBADLO CON(C)C(=O)C[N@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000774661755 585662842 /nfs/dbraw/zinc/66/28/42/585662842.db2.gz YRLYYBXWDULIPS-VIFPVBQESA-N 1 2 243.307 -0.441 20 0 BBADLO CON(C)C(=O)C[N@@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000774661755 585662841 /nfs/dbraw/zinc/66/28/41/585662841.db2.gz YRLYYBXWDULIPS-VIFPVBQESA-N 1 2 243.307 -0.441 20 0 BBADLO CNC(=O)C1([NH2+]Cc2n[nH]c(=O)[nH]2)CCCC1 ZINC000774682107 585663127 /nfs/dbraw/zinc/66/31/27/585663127.db2.gz RWVKFRSUHNBEEJ-UHFFFAOYSA-N 1 2 239.279 -0.341 20 0 BBADLO CON(C)C(=O)C[N@@H+](C)Cc1cn[nH]c1 ZINC000774691358 585663308 /nfs/dbraw/zinc/66/33/08/585663308.db2.gz NUJKXUYGHYVIMR-UHFFFAOYSA-N 1 2 212.253 -0.139 20 0 BBADLO CON(C)C(=O)C[N@H+](C)Cc1cn[nH]c1 ZINC000774691358 585663307 /nfs/dbraw/zinc/66/33/07/585663307.db2.gz NUJKXUYGHYVIMR-UHFFFAOYSA-N 1 2 212.253 -0.139 20 0 BBADLO C[C@H]1COCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000774709718 585663891 /nfs/dbraw/zinc/66/38/91/585663891.db2.gz NKVDXDNJKFDNCB-SSDOTTSWSA-N 1 2 212.253 -0.021 20 0 BBADLO C[C@H]1COCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000774709718 585663890 /nfs/dbraw/zinc/66/38/90/585663890.db2.gz NKVDXDNJKFDNCB-SSDOTTSWSA-N 1 2 212.253 -0.021 20 0 BBADLO C[C@@H]1COCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000774709727 585663825 /nfs/dbraw/zinc/66/38/25/585663825.db2.gz NKVDXDNJKFDNCB-ZETCQYMHSA-N 1 2 212.253 -0.021 20 0 BBADLO C[C@@H]1COCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000774709727 585663824 /nfs/dbraw/zinc/66/38/24/585663824.db2.gz NKVDXDNJKFDNCB-ZETCQYMHSA-N 1 2 212.253 -0.021 20 0 BBADLO CON(C)C(=O)C[N@H+]1CCNC(=O)C[C@H]1C ZINC000774735781 585664413 /nfs/dbraw/zinc/66/44/13/585664413.db2.gz AGNXTJGBMGHFDW-MRVPVSSYSA-N 1 2 229.280 -0.783 20 0 BBADLO CON(C)C(=O)C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000774735781 585664412 /nfs/dbraw/zinc/66/44/12/585664412.db2.gz AGNXTJGBMGHFDW-MRVPVSSYSA-N 1 2 229.280 -0.783 20 0 BBADLO CON(C)C(=O)C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000774735783 585664481 /nfs/dbraw/zinc/66/44/81/585664481.db2.gz AGNXTJGBMGHFDW-QMMMGPOBSA-N 1 2 229.280 -0.783 20 0 BBADLO CON(C)C(=O)C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000774735783 585664480 /nfs/dbraw/zinc/66/44/80/585664480.db2.gz AGNXTJGBMGHFDW-QMMMGPOBSA-N 1 2 229.280 -0.783 20 0 BBADLO C[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)CC[N@H+]1C ZINC000774735801 585664369 /nfs/dbraw/zinc/66/43/69/585664369.db2.gz AJPRJEYRGWEYEP-SSDOTTSWSA-N 1 2 211.269 -0.354 20 0 BBADLO C[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)CC[N@@H+]1C ZINC000774735801 585664368 /nfs/dbraw/zinc/66/43/68/585664368.db2.gz AJPRJEYRGWEYEP-SSDOTTSWSA-N 1 2 211.269 -0.354 20 0 BBADLO C[C@H]1CN(Cc2n[nH]c(=O)[nH]2)CC[N@H+]1C ZINC000774735803 585664467 /nfs/dbraw/zinc/66/44/67/585664467.db2.gz AJPRJEYRGWEYEP-ZETCQYMHSA-N 1 2 211.269 -0.354 20 0 BBADLO C[C@H]1CN(Cc2n[nH]c(=O)[nH]2)CC[N@@H+]1C ZINC000774735803 585664466 /nfs/dbraw/zinc/66/44/66/585664466.db2.gz AJPRJEYRGWEYEP-ZETCQYMHSA-N 1 2 211.269 -0.354 20 0 BBADLO CON(C)C(=O)C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000774764357 585665254 /nfs/dbraw/zinc/66/52/54/585665254.db2.gz VERSTYGMQJXTSO-SECBINFHSA-N 1 2 241.291 -0.687 20 0 BBADLO CON(C)C(=O)C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000774764357 585665253 /nfs/dbraw/zinc/66/52/53/585665253.db2.gz VERSTYGMQJXTSO-SECBINFHSA-N 1 2 241.291 -0.687 20 0 BBADLO CON(C)C(=O)C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000774764359 585665486 /nfs/dbraw/zinc/66/54/86/585665486.db2.gz VERSTYGMQJXTSO-VIFPVBQESA-N 1 2 241.291 -0.687 20 0 BBADLO CON(C)C(=O)C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000774764359 585665485 /nfs/dbraw/zinc/66/54/85/585665485.db2.gz VERSTYGMQJXTSO-VIFPVBQESA-N 1 2 241.291 -0.687 20 0 BBADLO CON(C)C(=O)C[N@@H+](C)CCNC(=O)C(C)C ZINC000774766553 585665544 /nfs/dbraw/zinc/66/55/44/585665544.db2.gz SUMVHEMGYIAGGV-UHFFFAOYSA-N 1 2 245.323 -0.290 20 0 BBADLO CON(C)C(=O)C[N@H+](C)CCNC(=O)C(C)C ZINC000774766553 585665543 /nfs/dbraw/zinc/66/55/43/585665543.db2.gz SUMVHEMGYIAGGV-UHFFFAOYSA-N 1 2 245.323 -0.290 20 0 BBADLO CON(C)C(=O)C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000774771251 585665706 /nfs/dbraw/zinc/66/57/06/585665706.db2.gz VZJCGECZBFXAQL-LURJTMIESA-N 1 2 244.213 -0.139 20 0 BBADLO CON(C)C(=O)C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000774771251 585665705 /nfs/dbraw/zinc/66/57/05/585665705.db2.gz VZJCGECZBFXAQL-LURJTMIESA-N 1 2 244.213 -0.139 20 0 BBADLO CON(C)C(=O)C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000774771310 585665746 /nfs/dbraw/zinc/66/57/46/585665746.db2.gz VZJCGECZBFXAQL-ZCFIWIBFSA-N 1 2 244.213 -0.139 20 0 BBADLO CON(C)C(=O)C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000774771310 585665745 /nfs/dbraw/zinc/66/57/45/585665745.db2.gz VZJCGECZBFXAQL-ZCFIWIBFSA-N 1 2 244.213 -0.139 20 0 BBADLO CON(C)C(=O)C[N@@H+](C)CCc1cnccn1 ZINC000774775154 585665600 /nfs/dbraw/zinc/66/56/00/585665600.db2.gz JGWNJTNLTVTHPH-UHFFFAOYSA-N 1 2 238.291 -0.029 20 0 BBADLO CON(C)C(=O)C[N@H+](C)CCc1cnccn1 ZINC000774775154 585665599 /nfs/dbraw/zinc/66/55/99/585665599.db2.gz JGWNJTNLTVTHPH-UHFFFAOYSA-N 1 2 238.291 -0.029 20 0 BBADLO C[C@H](C(=O)OCCO)[NH+]1CCSCC1 ZINC000774976905 585036883 /nfs/dbraw/zinc/03/68/83/585036883.db2.gz AIJWGRBYHSJULF-MRVPVSSYSA-N 1 2 219.306 -0.041 20 0 BBADLO C[C@@H](C(=O)OCCO)[NH+]1CCSCC1 ZINC000774976913 585036960 /nfs/dbraw/zinc/03/69/60/585036960.db2.gz AIJWGRBYHSJULF-QMMMGPOBSA-N 1 2 219.306 -0.041 20 0 BBADLO CCOCCONC(=O)CC[NH+]1CCOCC1 ZINC000775239282 585673856 /nfs/dbraw/zinc/67/38/56/585673856.db2.gz XKXKWHZFIPRYOT-UHFFFAOYSA-N 1 2 246.307 -0.207 20 0 BBADLO C[C@@H]1CCOCC[N@H+]1Cc1nc(N)nc(N)n1 ZINC000775568911 585679834 /nfs/dbraw/zinc/67/98/34/585679834.db2.gz YGIDWMJJOFUUHV-SSDOTTSWSA-N 1 2 238.295 -0.353 20 0 BBADLO C[C@@H]1CCOCC[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000775568911 585679833 /nfs/dbraw/zinc/67/98/33/585679833.db2.gz YGIDWMJJOFUUHV-SSDOTTSWSA-N 1 2 238.295 -0.353 20 0 BBADLO C[C@H]1CCOCC[N@H+]1Cc1nc(N)nc(N)n1 ZINC000775569022 585679824 /nfs/dbraw/zinc/67/98/24/585679824.db2.gz YGIDWMJJOFUUHV-ZETCQYMHSA-N 1 2 238.295 -0.353 20 0 BBADLO C[C@H]1CCOCC[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000775569022 585679823 /nfs/dbraw/zinc/67/98/23/585679823.db2.gz YGIDWMJJOFUUHV-ZETCQYMHSA-N 1 2 238.295 -0.353 20 0 BBADLO CONC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000776129579 585690938 /nfs/dbraw/zinc/69/09/38/585690938.db2.gz PCJVWXWREFMSBK-MRVPVSSYSA-N 1 2 217.269 -0.432 20 0 BBADLO CONC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000776129579 585690937 /nfs/dbraw/zinc/69/09/37/585690937.db2.gz PCJVWXWREFMSBK-MRVPVSSYSA-N 1 2 217.269 -0.432 20 0 BBADLO CONC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000776129580 585691066 /nfs/dbraw/zinc/69/10/66/585691066.db2.gz PCJVWXWREFMSBK-QMMMGPOBSA-N 1 2 217.269 -0.432 20 0 BBADLO CONC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000776129580 585691065 /nfs/dbraw/zinc/69/10/65/585691065.db2.gz PCJVWXWREFMSBK-QMMMGPOBSA-N 1 2 217.269 -0.432 20 0 BBADLO CCONC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000776129594 585691016 /nfs/dbraw/zinc/69/10/16/585691016.db2.gz PUEAPDPSTNOJQU-SECBINFHSA-N 1 2 231.296 -0.042 20 0 BBADLO CCONC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000776129594 585691015 /nfs/dbraw/zinc/69/10/15/585691015.db2.gz PUEAPDPSTNOJQU-SECBINFHSA-N 1 2 231.296 -0.042 20 0 BBADLO CCONC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000776129595 585690978 /nfs/dbraw/zinc/69/09/78/585690978.db2.gz PUEAPDPSTNOJQU-VIFPVBQESA-N 1 2 231.296 -0.042 20 0 BBADLO CCONC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000776129595 585690977 /nfs/dbraw/zinc/69/09/77/585690977.db2.gz PUEAPDPSTNOJQU-VIFPVBQESA-N 1 2 231.296 -0.042 20 0 BBADLO CN1C(=O)CN(C[N@@H+](C)[C@@H]2CCOC2)C1=O ZINC000776201363 585692847 /nfs/dbraw/zinc/69/28/47/585692847.db2.gz TWAGCLTVQGJIGJ-MRVPVSSYSA-N 1 2 227.264 -0.441 20 0 BBADLO CN1C(=O)CN(C[N@H+](C)[C@@H]2CCOC2)C1=O ZINC000776201363 585692846 /nfs/dbraw/zinc/69/28/46/585692846.db2.gz TWAGCLTVQGJIGJ-MRVPVSSYSA-N 1 2 227.264 -0.441 20 0 BBADLO CN1C(=O)CN(C[N@@H+](C)[C@H]2CCOC2)C1=O ZINC000776201365 585692870 /nfs/dbraw/zinc/69/28/70/585692870.db2.gz TWAGCLTVQGJIGJ-QMMMGPOBSA-N 1 2 227.264 -0.441 20 0 BBADLO CN1C(=O)CN(C[N@H+](C)[C@H]2CCOC2)C1=O ZINC000776201365 585692869 /nfs/dbraw/zinc/69/28/69/585692869.db2.gz TWAGCLTVQGJIGJ-QMMMGPOBSA-N 1 2 227.264 -0.441 20 0 BBADLO COCC[N@@H+](C)CN1CC(=O)N(C)C1=O ZINC000776202165 585692862 /nfs/dbraw/zinc/69/28/62/585692862.db2.gz IASANKNUCDESEY-UHFFFAOYSA-N 1 2 215.253 -0.584 20 0 BBADLO COCC[N@H+](C)CN1CC(=O)N(C)C1=O ZINC000776202165 585692861 /nfs/dbraw/zinc/69/28/61/585692861.db2.gz IASANKNUCDESEY-UHFFFAOYSA-N 1 2 215.253 -0.584 20 0 BBADLO CN1C(=O)CN(C[N@H+]2CCCOCC2)C1=O ZINC000776202641 585693002 /nfs/dbraw/zinc/69/30/02/585693002.db2.gz NYEBDTHRQOVDNQ-UHFFFAOYSA-N 1 2 227.264 -0.440 20 0 BBADLO CN1C(=O)CN(C[N@@H+]2CCCOCC2)C1=O ZINC000776202641 585693001 /nfs/dbraw/zinc/69/30/01/585693001.db2.gz NYEBDTHRQOVDNQ-UHFFFAOYSA-N 1 2 227.264 -0.440 20 0 BBADLO Cc1cc(NC(=O)NOCCO)cc[nH+]1 ZINC000776307246 585695563 /nfs/dbraw/zinc/69/55/63/585695563.db2.gz WPXWAHAMWTVIOH-UHFFFAOYSA-N 1 2 211.221 -0.143 20 0 BBADLO CC(C)COC(=O)C[N@@H+](CCO)CCCO ZINC000776582292 585701178 /nfs/dbraw/zinc/70/11/78/585701178.db2.gz OIIVRMISGSKAGZ-UHFFFAOYSA-N 1 2 233.308 -0.138 20 0 BBADLO CC(C)COC(=O)C[N@H+](CCO)CCCO ZINC000776582292 585701177 /nfs/dbraw/zinc/70/11/77/585701177.db2.gz OIIVRMISGSKAGZ-UHFFFAOYSA-N 1 2 233.308 -0.138 20 0 BBADLO O=C(NOCCO)c1cccc2[nH+]ccn21 ZINC000776583472 585701652 /nfs/dbraw/zinc/70/16/52/585701652.db2.gz BLNHARHXFLPDLB-UHFFFAOYSA-N 1 2 221.216 -0.012 20 0 BBADLO CC(C)COC(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000776591951 585702258 /nfs/dbraw/zinc/70/22/58/585702258.db2.gz MFASYHOALAKDHF-DTORHVGOSA-N 1 2 217.265 -0.777 20 0 BBADLO CC(C)COC(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000776591951 585702257 /nfs/dbraw/zinc/70/22/57/585702257.db2.gz MFASYHOALAKDHF-DTORHVGOSA-N 1 2 217.265 -0.777 20 0 BBADLO CC(C)COC(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000776593055 585702427 /nfs/dbraw/zinc/70/24/27/585702427.db2.gz UUVMFKNNBUJDNH-AOOOYVTPSA-N 1 2 231.292 -0.387 20 0 BBADLO CC(C)COC(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000776593055 585702426 /nfs/dbraw/zinc/70/24/26/585702426.db2.gz UUVMFKNNBUJDNH-AOOOYVTPSA-N 1 2 231.292 -0.387 20 0 BBADLO CC(C)COC(=O)C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000776595775 585702212 /nfs/dbraw/zinc/70/22/12/585702212.db2.gz AHVKMKMTOJORLU-SECBINFHSA-N 1 2 243.307 -0.072 20 0 BBADLO CC(C)COC(=O)C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000776595775 585702211 /nfs/dbraw/zinc/70/22/11/585702211.db2.gz AHVKMKMTOJORLU-SECBINFHSA-N 1 2 243.307 -0.072 20 0 BBADLO CC(C)COC(=O)C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000776595776 585702462 /nfs/dbraw/zinc/70/24/62/585702462.db2.gz AHVKMKMTOJORLU-VIFPVBQESA-N 1 2 243.307 -0.072 20 0 BBADLO CC(C)COC(=O)C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000776595776 585702461 /nfs/dbraw/zinc/70/24/61/585702461.db2.gz AHVKMKMTOJORLU-VIFPVBQESA-N 1 2 243.307 -0.072 20 0 BBADLO CNC(=O)CNC(=O)c1cccc2[nH+]ccn21 ZINC000776748333 585703912 /nfs/dbraw/zinc/70/39/12/585703912.db2.gz BKANJKNJTLEIND-UHFFFAOYSA-N 1 2 232.243 -0.190 20 0 BBADLO c1nncn1C[NH+]1CCN(c2cnccn2)CC1 ZINC000776756698 585703942 /nfs/dbraw/zinc/70/39/42/585703942.db2.gz SDNPJIYXKJOVLY-UHFFFAOYSA-N 1 2 245.290 -0.152 20 0 BBADLO COC(=O)[C@@]1(F)CC[N@@H+](Cn2cnnc2)C1 ZINC000776760273 585704831 /nfs/dbraw/zinc/70/48/31/585704831.db2.gz NRTCGNCGLHXIPY-SECBINFHSA-N 1 2 228.227 -0.177 20 0 BBADLO COC(=O)[C@@]1(F)CC[N@H+](Cn2cnnc2)C1 ZINC000776760273 585704830 /nfs/dbraw/zinc/70/48/30/585704830.db2.gz NRTCGNCGLHXIPY-SECBINFHSA-N 1 2 228.227 -0.177 20 0 BBADLO COC(=O)[C@]1(F)CC[N@@H+](Cn2cnnc2)C1 ZINC000776760285 585704729 /nfs/dbraw/zinc/70/47/29/585704729.db2.gz NRTCGNCGLHXIPY-VIFPVBQESA-N 1 2 228.227 -0.177 20 0 BBADLO COC(=O)[C@]1(F)CC[N@H+](Cn2cnnc2)C1 ZINC000776760285 585704728 /nfs/dbraw/zinc/70/47/28/585704728.db2.gz NRTCGNCGLHXIPY-VIFPVBQESA-N 1 2 228.227 -0.177 20 0 BBADLO Cn1cc(N2CC[NH+](Cn3cnnc3)CC2)cn1 ZINC000776760847 585704922 /nfs/dbraw/zinc/70/49/22/585704922.db2.gz VFGPYZJXQPXZQL-UHFFFAOYSA-N 1 2 247.306 -0.209 20 0 BBADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cn1cnnc1 ZINC000776761672 585704840 /nfs/dbraw/zinc/70/48/40/585704840.db2.gz GGPIQMYVPPFYMA-SECBINFHSA-N 1 2 223.280 -0.164 20 0 BBADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cn1cnnc1 ZINC000776761672 585704839 /nfs/dbraw/zinc/70/48/39/585704839.db2.gz GGPIQMYVPPFYMA-SECBINFHSA-N 1 2 223.280 -0.164 20 0 BBADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cn1cnnc1 ZINC000776761673 585704739 /nfs/dbraw/zinc/70/47/39/585704739.db2.gz GGPIQMYVPPFYMA-VIFPVBQESA-N 1 2 223.280 -0.164 20 0 BBADLO CCC[C@H]1C(=O)NCC[N@H+]1Cn1cnnc1 ZINC000776761673 585704738 /nfs/dbraw/zinc/70/47/38/585704738.db2.gz GGPIQMYVPPFYMA-VIFPVBQESA-N 1 2 223.280 -0.164 20 0 BBADLO NC(=O)CNC(=O)c1cccc2[nH+]ccn21 ZINC000776793541 585705626 /nfs/dbraw/zinc/70/56/26/585705626.db2.gz XUBRBNZXTRKBEI-UHFFFAOYSA-N 1 2 218.216 -0.451 20 0 BBADLO C[N@H+](CC(=O)N1CCCC1)CC1OCCO1 ZINC000777531418 585714448 /nfs/dbraw/zinc/71/44/48/585714448.db2.gz LCKBIZVSWANUCX-UHFFFAOYSA-N 1 2 228.292 -0.087 20 0 BBADLO C[N@@H+](CC(=O)N1CCCC1)CC1OCCO1 ZINC000777531418 585714447 /nfs/dbraw/zinc/71/44/47/585714447.db2.gz LCKBIZVSWANUCX-UHFFFAOYSA-N 1 2 228.292 -0.087 20 0 BBADLO C[N@H+](CC(=O)NC1CC1)CC1OCCO1 ZINC000777547422 585714777 /nfs/dbraw/zinc/71/47/77/585714777.db2.gz DLLRTGLFWZZPMU-UHFFFAOYSA-N 1 2 214.265 -0.430 20 0 BBADLO C[N@@H+](CC(=O)NC1CC1)CC1OCCO1 ZINC000777547422 585714776 /nfs/dbraw/zinc/71/47/76/585714776.db2.gz DLLRTGLFWZZPMU-UHFFFAOYSA-N 1 2 214.265 -0.430 20 0 BBADLO CC[N@H+](CC(=O)N(C)C)CC1OCCO1 ZINC000777556067 585715315 /nfs/dbraw/zinc/71/53/15/585715315.db2.gz UPVAQIJLUCNFQT-UHFFFAOYSA-N 1 2 216.281 -0.231 20 0 BBADLO CC[N@@H+](CC(=O)N(C)C)CC1OCCO1 ZINC000777556067 585715314 /nfs/dbraw/zinc/71/53/14/585715314.db2.gz UPVAQIJLUCNFQT-UHFFFAOYSA-N 1 2 216.281 -0.231 20 0 BBADLO CCNC(=O)C[N@@H+](C)CC1OCCO1 ZINC000777559033 585715168 /nfs/dbraw/zinc/71/51/68/585715168.db2.gz QQOVLYRQGFZFPO-UHFFFAOYSA-N 1 2 202.254 -0.573 20 0 BBADLO CCNC(=O)C[N@H+](C)CC1OCCO1 ZINC000777559033 585715167 /nfs/dbraw/zinc/71/51/67/585715167.db2.gz QQOVLYRQGFZFPO-UHFFFAOYSA-N 1 2 202.254 -0.573 20 0 BBADLO CC[N@H+](CC(=O)NC)CC1OCCO1 ZINC000777559930 585715401 /nfs/dbraw/zinc/71/54/01/585715401.db2.gz LLDMGFNSTPJQGF-UHFFFAOYSA-N 1 2 202.254 -0.573 20 0 BBADLO CC[N@@H+](CC(=O)NC)CC1OCCO1 ZINC000777559930 585715400 /nfs/dbraw/zinc/71/54/00/585715400.db2.gz LLDMGFNSTPJQGF-UHFFFAOYSA-N 1 2 202.254 -0.573 20 0 BBADLO CNC(=O)[C@H]1CCCC[N@H+]1CC1OCCO1 ZINC000777569859 585715819 /nfs/dbraw/zinc/71/58/19/585715819.db2.gz FHNWOIUCXVYFOV-SECBINFHSA-N 1 2 228.292 -0.040 20 0 BBADLO CNC(=O)[C@H]1CCCC[N@@H+]1CC1OCCO1 ZINC000777569859 585715818 /nfs/dbraw/zinc/71/58/18/585715818.db2.gz FHNWOIUCXVYFOV-SECBINFHSA-N 1 2 228.292 -0.040 20 0 BBADLO CNC(=O)[C@@H]1CCCC[N@H+]1CC1OCCO1 ZINC000777569865 585715792 /nfs/dbraw/zinc/71/57/92/585715792.db2.gz FHNWOIUCXVYFOV-VIFPVBQESA-N 1 2 228.292 -0.040 20 0 BBADLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC1OCCO1 ZINC000777569865 585715791 /nfs/dbraw/zinc/71/57/91/585715791.db2.gz FHNWOIUCXVYFOV-VIFPVBQESA-N 1 2 228.292 -0.040 20 0 BBADLO O=C1C[N@@H+](CC2OCCO2)CCCN1 ZINC000777571326 585715625 /nfs/dbraw/zinc/71/56/25/585715625.db2.gz XOUZNVLDDABXKL-UHFFFAOYSA-N 1 2 200.238 -0.819 20 0 BBADLO O=C1C[N@H+](CC2OCCO2)CCCN1 ZINC000777571326 585715624 /nfs/dbraw/zinc/71/56/24/585715624.db2.gz XOUZNVLDDABXKL-UHFFFAOYSA-N 1 2 200.238 -0.819 20 0 BBADLO C[N@@H+](CC1OCCO1)[C@@H]1CCCCNC1=O ZINC000777577144 585715655 /nfs/dbraw/zinc/71/56/55/585715655.db2.gz CKMDZRQMVSBKIT-SECBINFHSA-N 1 2 228.292 -0.040 20 0 BBADLO C[N@H+](CC1OCCO1)[C@@H]1CCCCNC1=O ZINC000777577144 585715654 /nfs/dbraw/zinc/71/56/54/585715654.db2.gz CKMDZRQMVSBKIT-SECBINFHSA-N 1 2 228.292 -0.040 20 0 BBADLO C[N@@H+](CC1OCCO1)[C@H]1CCCCNC1=O ZINC000777577146 585715651 /nfs/dbraw/zinc/71/56/51/585715651.db2.gz CKMDZRQMVSBKIT-VIFPVBQESA-N 1 2 228.292 -0.040 20 0 BBADLO C[N@H+](CC1OCCO1)[C@H]1CCCCNC1=O ZINC000777577146 585715650 /nfs/dbraw/zinc/71/56/50/585715650.db2.gz CKMDZRQMVSBKIT-VIFPVBQESA-N 1 2 228.292 -0.040 20 0 BBADLO CC1(C)C(=O)NCC[N@@H+]1CC1OCCO1 ZINC000777586022 585716119 /nfs/dbraw/zinc/71/61/19/585716119.db2.gz MEORKZOJOONWQA-UHFFFAOYSA-N 1 2 214.265 -0.430 20 0 BBADLO CC1(C)C(=O)NCC[N@H+]1CC1OCCO1 ZINC000777586022 585716118 /nfs/dbraw/zinc/71/61/18/585716118.db2.gz MEORKZOJOONWQA-UHFFFAOYSA-N 1 2 214.265 -0.430 20 0 BBADLO CN1CC[C@@H]([N@@H+](C)CC2OCCO2)C1=O ZINC000777589103 585716357 /nfs/dbraw/zinc/71/63/57/585716357.db2.gz QHMAAOFAVQVROZ-MRVPVSSYSA-N 1 2 214.265 -0.478 20 0 BBADLO CN1CC[C@@H]([N@H+](C)CC2OCCO2)C1=O ZINC000777589103 585716356 /nfs/dbraw/zinc/71/63/56/585716356.db2.gz QHMAAOFAVQVROZ-MRVPVSSYSA-N 1 2 214.265 -0.478 20 0 BBADLO CN1CC[C@H]([N@@H+](C)CC2OCCO2)C1=O ZINC000777589108 585716312 /nfs/dbraw/zinc/71/63/12/585716312.db2.gz QHMAAOFAVQVROZ-QMMMGPOBSA-N 1 2 214.265 -0.478 20 0 BBADLO CN1CC[C@H]([N@H+](C)CC2OCCO2)C1=O ZINC000777589108 585716311 /nfs/dbraw/zinc/71/63/11/585716311.db2.gz QHMAAOFAVQVROZ-QMMMGPOBSA-N 1 2 214.265 -0.478 20 0 BBADLO COC(=O)[C@]1(F)CC[N@@H+](CC2OCCO2)C1 ZINC000777594460 585716335 /nfs/dbraw/zinc/71/63/35/585716335.db2.gz HBDJSBQENWPVKZ-JTQLQIEISA-N 1 2 233.239 -0.054 20 0 BBADLO COC(=O)[C@]1(F)CC[N@H+](CC2OCCO2)C1 ZINC000777594460 585716334 /nfs/dbraw/zinc/71/63/34/585716334.db2.gz HBDJSBQENWPVKZ-JTQLQIEISA-N 1 2 233.239 -0.054 20 0 BBADLO COC(=O)[C@@]1(F)CC[N@@H+](CC2OCCO2)C1 ZINC000777594461 585716455 /nfs/dbraw/zinc/71/64/55/585716455.db2.gz HBDJSBQENWPVKZ-SNVBAGLBSA-N 1 2 233.239 -0.054 20 0 BBADLO COC(=O)[C@@]1(F)CC[N@H+](CC2OCCO2)C1 ZINC000777594461 585716454 /nfs/dbraw/zinc/71/64/54/585716454.db2.gz HBDJSBQENWPVKZ-SNVBAGLBSA-N 1 2 233.239 -0.054 20 0 BBADLO O=C1NC[C@@H]2C[N@@H+](CC3OCCO3)CCN12 ZINC000777600056 585716688 /nfs/dbraw/zinc/71/66/88/585716688.db2.gz WWBSPFABFOKMDY-MRVPVSSYSA-N 1 2 227.264 -0.931 20 0 BBADLO O=C1NC[C@@H]2C[N@H+](CC3OCCO3)CCN12 ZINC000777600056 585716687 /nfs/dbraw/zinc/71/66/87/585716687.db2.gz WWBSPFABFOKMDY-MRVPVSSYSA-N 1 2 227.264 -0.931 20 0 BBADLO O=C1NC[C@H]2C[N@@H+](CC3OCCO3)CCN12 ZINC000777600063 585716998 /nfs/dbraw/zinc/71/69/98/585716998.db2.gz WWBSPFABFOKMDY-QMMMGPOBSA-N 1 2 227.264 -0.931 20 0 BBADLO O=C1NC[C@H]2C[N@H+](CC3OCCO3)CCN12 ZINC000777600063 585716997 /nfs/dbraw/zinc/71/69/97/585716997.db2.gz WWBSPFABFOKMDY-QMMMGPOBSA-N 1 2 227.264 -0.931 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@H+]1CC1OCCO1 ZINC000777600163 585716961 /nfs/dbraw/zinc/71/69/61/585716961.db2.gz QBRFCYSYHYJJLH-BDAKNGLRSA-N 1 2 217.265 -0.559 20 0 BBADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CC1OCCO1 ZINC000777600163 585716960 /nfs/dbraw/zinc/71/69/60/585716960.db2.gz QBRFCYSYHYJJLH-BDAKNGLRSA-N 1 2 217.265 -0.559 20 0 BBADLO C[C@H]1CO[C@@H](CO)C[N@H+]1CC1OCCO1 ZINC000777600164 585717015 /nfs/dbraw/zinc/71/70/15/585717015.db2.gz QBRFCYSYHYJJLH-DTWKUNHWSA-N 1 2 217.265 -0.559 20 0 BBADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CC1OCCO1 ZINC000777600164 585717014 /nfs/dbraw/zinc/71/70/14/585717014.db2.gz QBRFCYSYHYJJLH-DTWKUNHWSA-N 1 2 217.265 -0.559 20 0 BBADLO C[C@H]1CO[C@H](CO)C[N@H+]1CC1OCCO1 ZINC000777600165 585716650 /nfs/dbraw/zinc/71/66/50/585716650.db2.gz QBRFCYSYHYJJLH-IUCAKERBSA-N 1 2 217.265 -0.559 20 0 BBADLO C[C@H]1CO[C@H](CO)C[N@@H+]1CC1OCCO1 ZINC000777600165 585716649 /nfs/dbraw/zinc/71/66/49/585716649.db2.gz QBRFCYSYHYJJLH-IUCAKERBSA-N 1 2 217.265 -0.559 20 0 BBADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CC1OCCO1 ZINC000777600166 585716887 /nfs/dbraw/zinc/71/68/87/585716887.db2.gz QBRFCYSYHYJJLH-RKDXNWHRSA-N 1 2 217.265 -0.559 20 0 BBADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CC1OCCO1 ZINC000777600166 585716886 /nfs/dbraw/zinc/71/68/86/585716886.db2.gz QBRFCYSYHYJJLH-RKDXNWHRSA-N 1 2 217.265 -0.559 20 0 BBADLO CC(=O)N1CC[N@@H+](CC2OCCO2)[C@H](C)C1 ZINC000777601178 585716841 /nfs/dbraw/zinc/71/68/41/585716841.db2.gz WHJWKYLNJHAXFX-SECBINFHSA-N 1 2 228.292 -0.088 20 0 BBADLO CC(=O)N1CC[N@H+](CC2OCCO2)[C@H](C)C1 ZINC000777601178 585716840 /nfs/dbraw/zinc/71/68/40/585716840.db2.gz WHJWKYLNJHAXFX-SECBINFHSA-N 1 2 228.292 -0.088 20 0 BBADLO CC(=O)N1CC[N@@H+](CC2OCCO2)[C@@H](C)C1 ZINC000777601182 585716717 /nfs/dbraw/zinc/71/67/17/585716717.db2.gz WHJWKYLNJHAXFX-VIFPVBQESA-N 1 2 228.292 -0.088 20 0 BBADLO CC(=O)N1CC[N@H+](CC2OCCO2)[C@@H](C)C1 ZINC000777601182 585716716 /nfs/dbraw/zinc/71/67/16/585716716.db2.gz WHJWKYLNJHAXFX-VIFPVBQESA-N 1 2 228.292 -0.088 20 0 BBADLO C(C1OCCO1)[N@H+]1CCC2(C1)OCCO2 ZINC000777614081 585717087 /nfs/dbraw/zinc/71/70/87/585717087.db2.gz YKDAOOIRTSSXBV-UHFFFAOYSA-N 1 2 215.249 -0.192 20 0 BBADLO C(C1OCCO1)[N@@H+]1CCC2(C1)OCCO2 ZINC000777614081 585717086 /nfs/dbraw/zinc/71/70/86/585717086.db2.gz YKDAOOIRTSSXBV-UHFFFAOYSA-N 1 2 215.249 -0.192 20 0 BBADLO CNC(=O)N1CC[NH+](CC2OCCO2)CC1 ZINC000777615485 585717045 /nfs/dbraw/zinc/71/70/45/585717045.db2.gz BOIGWABFRXUQKC-UHFFFAOYSA-N 1 2 229.280 -0.684 20 0 BBADLO C[N@@H+](CC1OCCO1)[C@@H]1CCNC1=O ZINC000777713565 585719118 /nfs/dbraw/zinc/71/91/18/585719118.db2.gz JTMNEENCRYPCKT-SSDOTTSWSA-N 1 2 200.238 -0.820 20 0 BBADLO C[N@H+](CC1OCCO1)[C@@H]1CCNC1=O ZINC000777713565 585719117 /nfs/dbraw/zinc/71/91/17/585719117.db2.gz JTMNEENCRYPCKT-SSDOTTSWSA-N 1 2 200.238 -0.820 20 0 BBADLO C[N@@H+](CC1OCCO1)[C@H]1CCNC1=O ZINC000777713566 585718859 /nfs/dbraw/zinc/71/88/59/585718859.db2.gz JTMNEENCRYPCKT-ZETCQYMHSA-N 1 2 200.238 -0.820 20 0 BBADLO C[N@H+](CC1OCCO1)[C@H]1CCNC1=O ZINC000777713566 585718858 /nfs/dbraw/zinc/71/88/58/585718858.db2.gz JTMNEENCRYPCKT-ZETCQYMHSA-N 1 2 200.238 -0.820 20 0 BBADLO CON(C)C(=O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000777716411 585718895 /nfs/dbraw/zinc/71/88/95/585718895.db2.gz LUBZRFBMZHJBIH-UHFFFAOYSA-N 1 2 246.311 -0.791 20 0 BBADLO CON(C)C(=O)C[N@H+](C)CCNC(=O)N(C)C ZINC000777716411 585718894 /nfs/dbraw/zinc/71/88/94/585718894.db2.gz LUBZRFBMZHJBIH-UHFFFAOYSA-N 1 2 246.311 -0.791 20 0 BBADLO COC(=O)C1(O)CC[NH+](CC2OCCO2)CC1 ZINC000777717149 585719134 /nfs/dbraw/zinc/71/91/34/585719134.db2.gz USNBCNPHYPJWII-UHFFFAOYSA-N 1 2 245.275 -0.641 20 0 BBADLO O=C1CC[C@@H]2C[N@@H+](CC3OCCO3)CCN12 ZINC000777717220 585719047 /nfs/dbraw/zinc/71/90/47/585719047.db2.gz SELWHNCYWSDBAU-SECBINFHSA-N 1 2 226.276 -0.334 20 0 BBADLO O=C1CC[C@@H]2C[N@H+](CC3OCCO3)CCN12 ZINC000777717220 585719046 /nfs/dbraw/zinc/71/90/46/585719046.db2.gz SELWHNCYWSDBAU-SECBINFHSA-N 1 2 226.276 -0.334 20 0 BBADLO O=C1CC[C@H]2C[N@@H+](CC3OCCO3)CCN12 ZINC000777717221 585718931 /nfs/dbraw/zinc/71/89/31/585718931.db2.gz SELWHNCYWSDBAU-VIFPVBQESA-N 1 2 226.276 -0.334 20 0 BBADLO O=C1CC[C@H]2C[N@H+](CC3OCCO3)CCN12 ZINC000777717221 585718930 /nfs/dbraw/zinc/71/89/30/585718930.db2.gz SELWHNCYWSDBAU-VIFPVBQESA-N 1 2 226.276 -0.334 20 0 BBADLO O=C(NN1CN=NC1=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000777769179 585719776 /nfs/dbraw/zinc/71/97/76/585719776.db2.gz MFICIOBKONWCMX-SSDOTTSWSA-N 1 2 248.246 -0.487 20 0 BBADLO O=C(NN1CN=NC1=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000777769203 585719811 /nfs/dbraw/zinc/71/98/11/585719811.db2.gz MFICIOBKONWCMX-ZETCQYMHSA-N 1 2 248.246 -0.487 20 0 BBADLO O=C([C@H]1CCC=CO1)N1CC[NH+](CCO)CC1 ZINC000777847387 644708331 /nfs/dbraw/zinc/70/83/31/644708331.db2.gz VXPKLJVRXHMWLM-LLVKDONJSA-N 1 2 240.303 -0.184 20 0 BBADLO O=C([C@@H]1CCC=CO1)N1CC[NH+](CCO)CC1 ZINC000777847408 644708371 /nfs/dbraw/zinc/70/83/71/644708371.db2.gz VXPKLJVRXHMWLM-NSHDSACASA-N 1 2 240.303 -0.184 20 0 BBADLO C[C@@H]1CC[N@@H+](CCS(N)(=O)=O)C[C@H]1F ZINC000778240117 585728844 /nfs/dbraw/zinc/72/88/44/585728844.db2.gz YIOIYDUJIOWEKG-HTQZYQBOSA-N 1 2 224.301 -0.045 20 0 BBADLO C[C@@H]1CC[N@H+](CCS(N)(=O)=O)C[C@H]1F ZINC000778240117 585728843 /nfs/dbraw/zinc/72/88/43/585728843.db2.gz YIOIYDUJIOWEKG-HTQZYQBOSA-N 1 2 224.301 -0.045 20 0 BBADLO C[C@H]1CC[N@@H+](CCS(N)(=O)=O)C[C@H]1F ZINC000778240118 585728832 /nfs/dbraw/zinc/72/88/32/585728832.db2.gz YIOIYDUJIOWEKG-JGVFFNPUSA-N 1 2 224.301 -0.045 20 0 BBADLO C[C@H]1CC[N@H+](CCS(N)(=O)=O)C[C@H]1F ZINC000778240118 585728831 /nfs/dbraw/zinc/72/88/31/585728831.db2.gz YIOIYDUJIOWEKG-JGVFFNPUSA-N 1 2 224.301 -0.045 20 0 BBADLO C[C@@H]1CC[N@@H+](CCS(N)(=O)=O)C[C@@H]1F ZINC000778240119 585728841 /nfs/dbraw/zinc/72/88/41/585728841.db2.gz YIOIYDUJIOWEKG-SFYZADRCSA-N 1 2 224.301 -0.045 20 0 BBADLO C[C@@H]1CC[N@H+](CCS(N)(=O)=O)C[C@@H]1F ZINC000778240119 585728840 /nfs/dbraw/zinc/72/88/40/585728840.db2.gz YIOIYDUJIOWEKG-SFYZADRCSA-N 1 2 224.301 -0.045 20 0 BBADLO C[C@H]1CC[N@@H+](CCS(N)(=O)=O)C[C@@H]1F ZINC000778240120 585729494 /nfs/dbraw/zinc/72/94/94/585729494.db2.gz YIOIYDUJIOWEKG-YUMQZZPRSA-N 1 2 224.301 -0.045 20 0 BBADLO C[C@H]1CC[N@H+](CCS(N)(=O)=O)C[C@@H]1F ZINC000778240120 585729493 /nfs/dbraw/zinc/72/94/93/585729493.db2.gz YIOIYDUJIOWEKG-YUMQZZPRSA-N 1 2 224.301 -0.045 20 0 BBADLO CC(C)[C@H]1C[N@@H+](CCS(N)(=O)=O)CCO1 ZINC000778243074 585729145 /nfs/dbraw/zinc/72/91/45/585729145.db2.gz RMLGOVJFXCVHMH-SECBINFHSA-N 1 2 236.337 -0.368 20 0 BBADLO CC(C)[C@H]1C[N@H+](CCS(N)(=O)=O)CCO1 ZINC000778243074 585729144 /nfs/dbraw/zinc/72/91/44/585729144.db2.gz RMLGOVJFXCVHMH-SECBINFHSA-N 1 2 236.337 -0.368 20 0 BBADLO CC(C)[C@@H]1C[N@@H+](CCS(N)(=O)=O)CCO1 ZINC000778243076 585729303 /nfs/dbraw/zinc/72/93/03/585729303.db2.gz RMLGOVJFXCVHMH-VIFPVBQESA-N 1 2 236.337 -0.368 20 0 BBADLO CC(C)[C@@H]1C[N@H+](CCS(N)(=O)=O)CCO1 ZINC000778243076 585729302 /nfs/dbraw/zinc/72/93/02/585729302.db2.gz RMLGOVJFXCVHMH-VIFPVBQESA-N 1 2 236.337 -0.368 20 0 BBADLO CON(C)C(=O)C[N@H+]1CCC[C@]12CCOC2=O ZINC000778244726 585729553 /nfs/dbraw/zinc/72/95/53/585729553.db2.gz XTBCSAUJUJLHCT-LLVKDONJSA-N 1 2 242.275 -0.212 20 0 BBADLO CON(C)C(=O)C[N@@H+]1CCC[C@]12CCOC2=O ZINC000778244726 585729552 /nfs/dbraw/zinc/72/95/52/585729552.db2.gz XTBCSAUJUJLHCT-LLVKDONJSA-N 1 2 242.275 -0.212 20 0 BBADLO CON(C)C(=O)C[N@H+]1CCC[C@@]12CCOC2=O ZINC000778244727 585729377 /nfs/dbraw/zinc/72/93/77/585729377.db2.gz XTBCSAUJUJLHCT-NSHDSACASA-N 1 2 242.275 -0.212 20 0 BBADLO CON(C)C(=O)C[N@@H+]1CCC[C@@]12CCOC2=O ZINC000778244727 585729376 /nfs/dbraw/zinc/72/93/76/585729376.db2.gz XTBCSAUJUJLHCT-NSHDSACASA-N 1 2 242.275 -0.212 20 0 BBADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCN1CCOC1=O ZINC000778259507 585729943 /nfs/dbraw/zinc/72/99/43/585729943.db2.gz LLTVYTKPCBNNKP-SECBINFHSA-N 1 2 241.291 -0.399 20 0 BBADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCN1CCOC1=O ZINC000778259507 585729942 /nfs/dbraw/zinc/72/99/42/585729942.db2.gz LLTVYTKPCBNNKP-SECBINFHSA-N 1 2 241.291 -0.399 20 0 BBADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCN1CCOC1=O ZINC000778259508 585729795 /nfs/dbraw/zinc/72/97/95/585729795.db2.gz LLTVYTKPCBNNKP-VIFPVBQESA-N 1 2 241.291 -0.399 20 0 BBADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCN1CCOC1=O ZINC000778259508 585729794 /nfs/dbraw/zinc/72/97/94/585729794.db2.gz LLTVYTKPCBNNKP-VIFPVBQESA-N 1 2 241.291 -0.399 20 0 BBADLO CON(C)C(=O)C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000778288731 585729138 /nfs/dbraw/zinc/72/91/38/585729138.db2.gz DYPVJZQCYTZFMN-BDAKNGLRSA-N 1 2 243.307 -0.408 20 0 BBADLO CON(C)C(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000778288731 585729137 /nfs/dbraw/zinc/72/91/37/585729137.db2.gz DYPVJZQCYTZFMN-BDAKNGLRSA-N 1 2 243.307 -0.408 20 0 BBADLO CON(C)C(=O)C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000778288737 585729403 /nfs/dbraw/zinc/72/94/03/585729403.db2.gz DYPVJZQCYTZFMN-DTWKUNHWSA-N 1 2 243.307 -0.408 20 0 BBADLO CON(C)C(=O)C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000778288737 585729402 /nfs/dbraw/zinc/72/94/02/585729402.db2.gz DYPVJZQCYTZFMN-DTWKUNHWSA-N 1 2 243.307 -0.408 20 0 BBADLO CON(C)C(=O)C[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000778288739 585729201 /nfs/dbraw/zinc/72/92/01/585729201.db2.gz DYPVJZQCYTZFMN-IUCAKERBSA-N 1 2 243.307 -0.408 20 0 BBADLO CON(C)C(=O)C[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000778288739 585729200 /nfs/dbraw/zinc/72/92/00/585729200.db2.gz DYPVJZQCYTZFMN-IUCAKERBSA-N 1 2 243.307 -0.408 20 0 BBADLO CON(C)C(=O)C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000778288740 585729745 /nfs/dbraw/zinc/72/97/45/585729745.db2.gz DYPVJZQCYTZFMN-RKDXNWHRSA-N 1 2 243.307 -0.408 20 0 BBADLO CON(C)C(=O)C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000778288740 585729744 /nfs/dbraw/zinc/72/97/44/585729744.db2.gz DYPVJZQCYTZFMN-RKDXNWHRSA-N 1 2 243.307 -0.408 20 0 BBADLO C[C@@H]1CC[N@@H+](CC2OCCO2)[C@H](C(N)=O)C1 ZINC000778289101 585730438 /nfs/dbraw/zinc/73/04/38/585730438.db2.gz HMOFBNGBOQMGIF-BDAKNGLRSA-N 1 2 228.292 -0.055 20 0 BBADLO C[C@@H]1CC[N@H+](CC2OCCO2)[C@H](C(N)=O)C1 ZINC000778289101 585730437 /nfs/dbraw/zinc/73/04/37/585730437.db2.gz HMOFBNGBOQMGIF-BDAKNGLRSA-N 1 2 228.292 -0.055 20 0 BBADLO C[C@H]1CC[N@@H+](CC2OCCO2)[C@@H](C(N)=O)C1 ZINC000778289107 585730446 /nfs/dbraw/zinc/73/04/46/585730446.db2.gz HMOFBNGBOQMGIF-DTWKUNHWSA-N 1 2 228.292 -0.055 20 0 BBADLO C[C@H]1CC[N@H+](CC2OCCO2)[C@@H](C(N)=O)C1 ZINC000778289107 585730445 /nfs/dbraw/zinc/73/04/45/585730445.db2.gz HMOFBNGBOQMGIF-DTWKUNHWSA-N 1 2 228.292 -0.055 20 0 BBADLO C[C@H]1CC[N@@H+](CC2OCCO2)[C@H](C(N)=O)C1 ZINC000778289110 585730566 /nfs/dbraw/zinc/73/05/66/585730566.db2.gz HMOFBNGBOQMGIF-IUCAKERBSA-N 1 2 228.292 -0.055 20 0 BBADLO C[C@H]1CC[N@H+](CC2OCCO2)[C@H](C(N)=O)C1 ZINC000778289110 585730565 /nfs/dbraw/zinc/73/05/65/585730565.db2.gz HMOFBNGBOQMGIF-IUCAKERBSA-N 1 2 228.292 -0.055 20 0 BBADLO C[C@@H]1CC[N@@H+](CC2OCCO2)[C@@H](C(N)=O)C1 ZINC000778289114 585730617 /nfs/dbraw/zinc/73/06/17/585730617.db2.gz HMOFBNGBOQMGIF-RKDXNWHRSA-N 1 2 228.292 -0.055 20 0 BBADLO C[C@@H]1CC[N@H+](CC2OCCO2)[C@@H](C(N)=O)C1 ZINC000778289114 585730616 /nfs/dbraw/zinc/73/06/16/585730616.db2.gz HMOFBNGBOQMGIF-RKDXNWHRSA-N 1 2 228.292 -0.055 20 0 BBADLO CN1C(=O)C(=O)N(C[N@@H+]2CC=CCC2)C1=O ZINC000778577025 585737328 /nfs/dbraw/zinc/73/73/28/585737328.db2.gz QJCOFWMBYIBZMS-UHFFFAOYSA-N 1 2 223.232 -0.374 20 0 BBADLO CN1C(=O)C(=O)N(C[N@H+]2CC=CCC2)C1=O ZINC000778577025 585737327 /nfs/dbraw/zinc/73/73/27/585737327.db2.gz QJCOFWMBYIBZMS-UHFFFAOYSA-N 1 2 223.232 -0.374 20 0 BBADLO Cn1cc[nH+]c1CNC(=O)N[C@H](CO)C1CC1 ZINC000778672656 585739048 /nfs/dbraw/zinc/73/90/48/585739048.db2.gz NBDFZVQUCZONDV-SECBINFHSA-N 1 2 238.291 -0.010 20 0 BBADLO Cn1cc[nH+]c1CNC(=O)N[C@@H](CO)C1CC1 ZINC000778672658 585738850 /nfs/dbraw/zinc/73/88/50/585738850.db2.gz NBDFZVQUCZONDV-VIFPVBQESA-N 1 2 238.291 -0.010 20 0 BBADLO O=C(CN1CCOCC1)OCCn1cc[nH+]c1 ZINC000778846193 585741523 /nfs/dbraw/zinc/74/15/23/585741523.db2.gz ZNWNABYSRWRCNS-UHFFFAOYSA-N 1 2 239.275 -0.242 20 0 BBADLO COC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000778940064 585742433 /nfs/dbraw/zinc/74/24/33/585742433.db2.gz SYUXSPOFMWJSIU-UHFFFAOYSA-N 1 2 215.253 -0.836 20 0 BBADLO COC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000778940064 585742432 /nfs/dbraw/zinc/74/24/32/585742432.db2.gz SYUXSPOFMWJSIU-UHFFFAOYSA-N 1 2 215.253 -0.836 20 0 BBADLO CC[N@@H+](CC(=O)NC)[C@@H]1CCCN(C)C1=O ZINC000778940907 585742368 /nfs/dbraw/zinc/74/23/68/585742368.db2.gz PCLGMBXDOIZCQY-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CC[N@H+](CC(=O)NC)[C@@H]1CCCN(C)C1=O ZINC000778940907 585742367 /nfs/dbraw/zinc/74/23/67/585742367.db2.gz PCLGMBXDOIZCQY-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CC[N@@H+](CC(=O)NC)[C@H]1CCCN(C)C1=O ZINC000778940908 585742293 /nfs/dbraw/zinc/74/22/93/585742293.db2.gz PCLGMBXDOIZCQY-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO CC[N@H+](CC(=O)NC)[C@H]1CCCN(C)C1=O ZINC000778940908 585742292 /nfs/dbraw/zinc/74/22/92/585742292.db2.gz PCLGMBXDOIZCQY-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO CN1CCC[C@@H]([N@H+]2CCCNC(=O)C2)C1=O ZINC000778942150 585742323 /nfs/dbraw/zinc/74/23/23/585742323.db2.gz GAELTBMYPFJUOE-SECBINFHSA-N 1 2 225.292 -0.571 20 0 BBADLO CN1CCC[C@@H]([N@@H+]2CCCNC(=O)C2)C1=O ZINC000778942150 585742322 /nfs/dbraw/zinc/74/23/22/585742322.db2.gz GAELTBMYPFJUOE-SECBINFHSA-N 1 2 225.292 -0.571 20 0 BBADLO CN1CCC[C@H]([N@H+]2CCCNC(=O)C2)C1=O ZINC000778942159 585742229 /nfs/dbraw/zinc/74/22/29/585742229.db2.gz GAELTBMYPFJUOE-VIFPVBQESA-N 1 2 225.292 -0.571 20 0 BBADLO CN1CCC[C@H]([N@@H+]2CCCNC(=O)C2)C1=O ZINC000778942159 585742228 /nfs/dbraw/zinc/74/22/28/585742228.db2.gz GAELTBMYPFJUOE-VIFPVBQESA-N 1 2 225.292 -0.571 20 0 BBADLO O=C1NC(=O)N2CC[N@H+](C/C=C/Cl)C[C@@H]12 ZINC000778954502 585742845 /nfs/dbraw/zinc/74/28/45/585742845.db2.gz XNMRHWYPSMMSFR-HIXXPVPXSA-N 1 2 229.667 -0.025 20 0 BBADLO O=C1NC(=O)N2CC[N@@H+](C/C=C/Cl)C[C@@H]12 ZINC000778954502 585742844 /nfs/dbraw/zinc/74/28/44/585742844.db2.gz XNMRHWYPSMMSFR-HIXXPVPXSA-N 1 2 229.667 -0.025 20 0 BBADLO O=C1NC(=O)N2CC[N@H+](C/C=C/Cl)C[C@H]12 ZINC000778954503 585742685 /nfs/dbraw/zinc/74/26/85/585742685.db2.gz XNMRHWYPSMMSFR-QOHHWTFISA-N 1 2 229.667 -0.025 20 0 BBADLO O=C1NC(=O)N2CC[N@@H+](C/C=C/Cl)C[C@H]12 ZINC000778954503 585742684 /nfs/dbraw/zinc/74/26/84/585742684.db2.gz XNMRHWYPSMMSFR-QOHHWTFISA-N 1 2 229.667 -0.025 20 0 BBADLO O=C1NC(=O)N2CC[N@H+](C/C=C\Cl)C[C@H]12 ZINC000778954504 585742772 /nfs/dbraw/zinc/74/27/72/585742772.db2.gz XNMRHWYPSMMSFR-TWJVDONLSA-N 1 2 229.667 -0.025 20 0 BBADLO O=C1NC(=O)N2CC[N@@H+](C/C=C\Cl)C[C@H]12 ZINC000778954504 585742771 /nfs/dbraw/zinc/74/27/71/585742771.db2.gz XNMRHWYPSMMSFR-TWJVDONLSA-N 1 2 229.667 -0.025 20 0 BBADLO O=C1NC(=O)N2CC[N@H+](C/C=C\Cl)C[C@@H]12 ZINC000778954505 585742580 /nfs/dbraw/zinc/74/25/80/585742580.db2.gz XNMRHWYPSMMSFR-XRHZSYRXSA-N 1 2 229.667 -0.025 20 0 BBADLO O=C1NC(=O)N2CC[N@@H+](C/C=C\Cl)C[C@@H]12 ZINC000778954505 585742579 /nfs/dbraw/zinc/74/25/79/585742579.db2.gz XNMRHWYPSMMSFR-XRHZSYRXSA-N 1 2 229.667 -0.025 20 0 BBADLO O[C@@H]1C[N@H+](Cc2ccc(F)nc2)C[C@@H]1O ZINC000779157652 585746295 /nfs/dbraw/zinc/74/62/95/585746295.db2.gz GVSCONSVWKQMGX-DTORHVGOSA-N 1 2 212.224 -0.242 20 0 BBADLO O[C@@H]1C[N@@H+](Cc2ccc(F)nc2)C[C@@H]1O ZINC000779157652 585746294 /nfs/dbraw/zinc/74/62/94/585746294.db2.gz GVSCONSVWKQMGX-DTORHVGOSA-N 1 2 212.224 -0.242 20 0 BBADLO CON(C)C(=O)NCC[NH+]1CCOCC1 ZINC000779363815 585752513 /nfs/dbraw/zinc/75/25/13/585752513.db2.gz NGZJQWCRYKZILY-UHFFFAOYSA-N 1 2 217.269 -0.479 20 0 BBADLO O=C(CCn1cc[nH+]c1)N1CC(n2ccnn2)C1 ZINC000779552706 585756247 /nfs/dbraw/zinc/75/62/47/585756247.db2.gz XOJGRUDYDRJUTE-UHFFFAOYSA-N 1 2 246.274 -0.052 20 0 BBADLO COCC(=O)N[C@H](Cn1cc[nH+]c1)C(=O)OC ZINC000779561251 585756119 /nfs/dbraw/zinc/75/61/19/585756119.db2.gz GNCGFZYJXOWONU-MRVPVSSYSA-N 1 2 241.247 -0.813 20 0 BBADLO COCC(=O)N[C@@H](Cn1cc[nH+]c1)C(=O)OC ZINC000779561255 585756259 /nfs/dbraw/zinc/75/62/59/585756259.db2.gz GNCGFZYJXOWONU-QMMMGPOBSA-N 1 2 241.247 -0.813 20 0 BBADLO CCC(=O)N[C@H](Cn1cc[nH+]c1)C(=O)OC ZINC000779563344 585756192 /nfs/dbraw/zinc/75/61/92/585756192.db2.gz HNDWRYLQKKGHMI-MRVPVSSYSA-N 1 2 225.248 -0.049 20 0 BBADLO CCC(=O)N[C@@H](Cn1cc[nH+]c1)C(=O)OC ZINC000779563345 644713589 /nfs/dbraw/zinc/71/35/89/644713589.db2.gz HNDWRYLQKKGHMI-QMMMGPOBSA-N 1 2 225.248 -0.049 20 0 BBADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)C1CC1 ZINC000779565635 585756025 /nfs/dbraw/zinc/75/60/25/585756025.db2.gz PMFUPZUPIIHTPM-SECBINFHSA-N 1 2 237.259 -0.049 20 0 BBADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)C1CC1 ZINC000779565636 585756083 /nfs/dbraw/zinc/75/60/83/585756083.db2.gz PMFUPZUPIIHTPM-VIFPVBQESA-N 1 2 237.259 -0.049 20 0 BBADLO CC[C@@H](CO)C(=O)N1CC[NH+](CCO)CC1 ZINC000779598364 585756796 /nfs/dbraw/zinc/75/67/96/585756796.db2.gz YIKXOKDNRHDJQQ-JTQLQIEISA-N 1 2 230.308 -0.859 20 0 BBADLO CC[C@H](CO)C(=O)N1CC[NH+](CCO)CC1 ZINC000779598374 585756792 /nfs/dbraw/zinc/75/67/92/585756792.db2.gz YIKXOKDNRHDJQQ-SNVBAGLBSA-N 1 2 230.308 -0.859 20 0 BBADLO CC[C@H](CO)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000779599016 585756734 /nfs/dbraw/zinc/75/67/34/585756734.db2.gz FTFGLXLVUXZUKN-GHMZBOCLSA-N 1 2 244.335 -0.158 20 0 BBADLO CC[C@@H](CO)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000779599017 585756806 /nfs/dbraw/zinc/75/68/06/585756806.db2.gz FTFGLXLVUXZUKN-MNOVXSKESA-N 1 2 244.335 -0.158 20 0 BBADLO CC[C@@H](CO)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000779599020 585756840 /nfs/dbraw/zinc/75/68/40/585756840.db2.gz FTFGLXLVUXZUKN-QWRGUYRKSA-N 1 2 244.335 -0.158 20 0 BBADLO CC[C@H](CO)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000779599282 585756764 /nfs/dbraw/zinc/75/67/64/585756764.db2.gz FTFGLXLVUXZUKN-WDEREUQCSA-N 1 2 244.335 -0.158 20 0 BBADLO CCNS(=O)(=O)NCc1[nH+]ccn1C ZINC000779634635 585757729 /nfs/dbraw/zinc/75/77/29/585757729.db2.gz OELCNZAFFNMQLO-UHFFFAOYSA-N 1 2 218.282 -0.636 20 0 BBADLO CC[C@H](CO)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000779763219 585761333 /nfs/dbraw/zinc/76/13/33/585761333.db2.gz OZMNSGQQQNFMBA-LLVKDONJSA-N 1 2 244.335 -0.205 20 0 BBADLO CC[C@@H](CO)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000779763220 585761500 /nfs/dbraw/zinc/76/15/00/585761500.db2.gz OZMNSGQQQNFMBA-NSHDSACASA-N 1 2 244.335 -0.205 20 0 BBADLO CC[C@H](CO)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000779765047 585761554 /nfs/dbraw/zinc/76/15/54/585761554.db2.gz VLNWVHOFMDRJGK-GHMZBOCLSA-N 1 2 244.335 -0.158 20 0 BBADLO CC[C@H](CO)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000779765047 585761553 /nfs/dbraw/zinc/76/15/53/585761553.db2.gz VLNWVHOFMDRJGK-GHMZBOCLSA-N 1 2 244.335 -0.158 20 0 BBADLO CC[C@@H](CO)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000779765049 585761723 /nfs/dbraw/zinc/76/17/23/585761723.db2.gz VLNWVHOFMDRJGK-MNOVXSKESA-N 1 2 244.335 -0.158 20 0 BBADLO CC[C@@H](CO)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000779765049 585761722 /nfs/dbraw/zinc/76/17/22/585761722.db2.gz VLNWVHOFMDRJGK-MNOVXSKESA-N 1 2 244.335 -0.158 20 0 BBADLO CC[C@@H](CO)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000779765052 585761671 /nfs/dbraw/zinc/76/16/71/585761671.db2.gz VLNWVHOFMDRJGK-QWRGUYRKSA-N 1 2 244.335 -0.158 20 0 BBADLO CC[C@@H](CO)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000779765052 585761670 /nfs/dbraw/zinc/76/16/70/585761670.db2.gz VLNWVHOFMDRJGK-QWRGUYRKSA-N 1 2 244.335 -0.158 20 0 BBADLO CC[C@H](CO)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000779765053 585761602 /nfs/dbraw/zinc/76/16/02/585761602.db2.gz VLNWVHOFMDRJGK-WDEREUQCSA-N 1 2 244.335 -0.158 20 0 BBADLO CC[C@H](CO)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000779765053 585761601 /nfs/dbraw/zinc/76/16/01/585761601.db2.gz VLNWVHOFMDRJGK-WDEREUQCSA-N 1 2 244.335 -0.158 20 0 BBADLO CCOCCNC(=O)CO[NH+]=C(N)CCO ZINC000780124895 585772772 /nfs/dbraw/zinc/77/27/72/585772772.db2.gz GMSAURLBGJNKCL-UHFFFAOYSA-N 1 2 233.268 -0.980 20 0 BBADLO CCCCn1nnnc1CO[NH+]=C(N)CCO ZINC000780125583 585772867 /nfs/dbraw/zinc/77/28/67/585772867.db2.gz MPMXIMKCSXGIIE-UHFFFAOYSA-N 1 2 242.283 -0.146 20 0 BBADLO C[C@@H]1CN(C(=O)CO[NH+]=C(N)CCO)CCO1 ZINC000780125671 585772784 /nfs/dbraw/zinc/77/27/84/585772784.db2.gz PCJVYCBIABQXDS-MRVPVSSYSA-N 1 2 245.279 -0.885 20 0 BBADLO C[C@H]1CN(C(=O)CO[NH+]=C(N)CCO)CCO1 ZINC000780125673 585772728 /nfs/dbraw/zinc/77/27/28/585772728.db2.gz PCJVYCBIABQXDS-QMMMGPOBSA-N 1 2 245.279 -0.885 20 0 BBADLO COCCCNC(=O)[C@@H](C)O[NH+]=C(N)CCO ZINC000780126211 585772889 /nfs/dbraw/zinc/77/28/89/585772889.db2.gz WUMQKSMIFCKFJU-MRVPVSSYSA-N 1 2 247.295 -0.592 20 0 BBADLO COCCCNC(=O)[C@H](C)O[NH+]=C(N)CCO ZINC000780126261 585772842 /nfs/dbraw/zinc/77/28/42/585772842.db2.gz WUMQKSMIFCKFJU-QMMMGPOBSA-N 1 2 247.295 -0.592 20 0 BBADLO CC(C)(C)n1nnnc1CO[NH+]=C(N)CCO ZINC000780127463 585772830 /nfs/dbraw/zinc/77/28/30/585772830.db2.gz BUQDCNWFOIFLMG-UHFFFAOYSA-N 1 2 242.283 -0.191 20 0 BBADLO NC(CCO)=[NH+]OCc1nnnn1C1CC1 ZINC000780127549 585772833 /nfs/dbraw/zinc/77/28/33/585772833.db2.gz FBLCLUUQYRQFPB-UHFFFAOYSA-N 1 2 226.240 -0.611 20 0 BBADLO CN1CC[C@H](O[NH+]=C(N)CCO)C1=O ZINC000780127575 585772877 /nfs/dbraw/zinc/77/28/77/585772877.db2.gz HFFQYPDGJRIBCC-LURJTMIESA-N 1 2 201.226 -0.902 20 0 BBADLO CN1CC[C@@H](O[NH+]=C(N)CCO)C1=O ZINC000780127576 585772720 /nfs/dbraw/zinc/77/27/20/585772720.db2.gz HFFQYPDGJRIBCC-ZCFIWIBFSA-N 1 2 201.226 -0.902 20 0 BBADLO CN1CCC[C@@H](O[NH+]=C(N)CCO)C1=O ZINC000780127980 585772932 /nfs/dbraw/zinc/77/29/32/585772932.db2.gz RKLHZBXKAVSDLH-SSDOTTSWSA-N 1 2 215.253 -0.512 20 0 BBADLO CN1CCC[C@H](O[NH+]=C(N)CCO)C1=O ZINC000780127983 585773008 /nfs/dbraw/zinc/77/30/08/585773008.db2.gz RKLHZBXKAVSDLH-ZETCQYMHSA-N 1 2 215.253 -0.512 20 0 BBADLO O=CN1CCC[N@@H+](CC(=O)NC2CC2)CC1 ZINC000781554701 585798483 /nfs/dbraw/zinc/79/84/83/585798483.db2.gz TYPXYZGEAYOHTM-UHFFFAOYSA-N 1 2 225.292 -0.571 20 0 BBADLO O=CN1CCC[N@H+](CC(=O)NC2CC2)CC1 ZINC000781554701 585798482 /nfs/dbraw/zinc/79/84/82/585798482.db2.gz TYPXYZGEAYOHTM-UHFFFAOYSA-N 1 2 225.292 -0.571 20 0 BBADLO CCOC(=O)C[N@H+]1CCCN(C=O)CC1 ZINC000781555576 585798577 /nfs/dbraw/zinc/79/85/77/585798577.db2.gz KUYWTNBTMOPSFH-UHFFFAOYSA-N 1 2 214.265 -0.286 20 0 BBADLO CCOC(=O)C[N@@H+]1CCCN(C=O)CC1 ZINC000781555576 585798576 /nfs/dbraw/zinc/79/85/76/585798576.db2.gz KUYWTNBTMOPSFH-UHFFFAOYSA-N 1 2 214.265 -0.286 20 0 BBADLO COC(=O)C[N@H+]1CCCN(C=O)CC1 ZINC000781555980 585798688 /nfs/dbraw/zinc/79/86/88/585798688.db2.gz SUAXXADLMFDJQM-UHFFFAOYSA-N 1 2 200.238 -0.677 20 0 BBADLO COC(=O)C[N@@H+]1CCCN(C=O)CC1 ZINC000781555980 585798687 /nfs/dbraw/zinc/79/86/87/585798687.db2.gz SUAXXADLMFDJQM-UHFFFAOYSA-N 1 2 200.238 -0.677 20 0 BBADLO CC(C)CNC(=O)C[N@H+]1CCCN(C=O)CC1 ZINC000781556928 585798554 /nfs/dbraw/zinc/79/85/54/585798554.db2.gz PIDPAJKXUDBQSH-UHFFFAOYSA-N 1 2 241.335 -0.077 20 0 BBADLO CC(C)CNC(=O)C[N@@H+]1CCCN(C=O)CC1 ZINC000781556928 585798553 /nfs/dbraw/zinc/79/85/53/585798553.db2.gz PIDPAJKXUDBQSH-UHFFFAOYSA-N 1 2 241.335 -0.077 20 0 BBADLO CCNC(=O)C[N@H+]1CCCN(C=O)CC1 ZINC000781557857 585798594 /nfs/dbraw/zinc/79/85/94/585798594.db2.gz XESPNUDJWGZAOD-UHFFFAOYSA-N 1 2 213.281 -0.713 20 0 BBADLO CCNC(=O)C[N@@H+]1CCCN(C=O)CC1 ZINC000781557857 585798593 /nfs/dbraw/zinc/79/85/93/585798593.db2.gz XESPNUDJWGZAOD-UHFFFAOYSA-N 1 2 213.281 -0.713 20 0 BBADLO CC(C)NC(=O)C[N@H+]1CCCN(C=O)CC1 ZINC000781558700 585798524 /nfs/dbraw/zinc/79/85/24/585798524.db2.gz XPLMFFIBHGHIBD-UHFFFAOYSA-N 1 2 227.308 -0.325 20 0 BBADLO CC(C)NC(=O)C[N@@H+]1CCCN(C=O)CC1 ZINC000781558700 585798523 /nfs/dbraw/zinc/79/85/23/585798523.db2.gz XPLMFFIBHGHIBD-UHFFFAOYSA-N 1 2 227.308 -0.325 20 0 BBADLO CCCNC(=O)C[N@H+]1CCCN(C=O)CC1 ZINC000781559958 585798440 /nfs/dbraw/zinc/79/84/40/585798440.db2.gz XSPNYSOHIVMUFB-UHFFFAOYSA-N 1 2 227.308 -0.323 20 0 BBADLO CCCNC(=O)C[N@@H+]1CCCN(C=O)CC1 ZINC000781559958 585798439 /nfs/dbraw/zinc/79/84/39/585798439.db2.gz XSPNYSOHIVMUFB-UHFFFAOYSA-N 1 2 227.308 -0.323 20 0 BBADLO CCOC(=O)[C@H]1C[N@@H+](CC(OC)OC)CCO1 ZINC000781893608 585804969 /nfs/dbraw/zinc/80/49/69/585804969.db2.gz KZGMIGISMTUHAN-SECBINFHSA-N 1 2 247.291 -0.131 20 0 BBADLO CCOC(=O)[C@H]1C[N@H+](CC(OC)OC)CCO1 ZINC000781893608 585804968 /nfs/dbraw/zinc/80/49/68/585804968.db2.gz KZGMIGISMTUHAN-SECBINFHSA-N 1 2 247.291 -0.131 20 0 BBADLO CCOC(=O)[C@@H]1C[N@@H+](CC(OC)OC)CCO1 ZINC000781893609 585804915 /nfs/dbraw/zinc/80/49/15/585804915.db2.gz KZGMIGISMTUHAN-VIFPVBQESA-N 1 2 247.291 -0.131 20 0 BBADLO CCOC(=O)[C@@H]1C[N@H+](CC(OC)OC)CCO1 ZINC000781893609 585804914 /nfs/dbraw/zinc/80/49/14/585804914.db2.gz KZGMIGISMTUHAN-VIFPVBQESA-N 1 2 247.291 -0.131 20 0 BBADLO COC(C[N@H+]1CCN(C2CC2)C(=O)C1)OC ZINC000781898277 585804814 /nfs/dbraw/zinc/80/48/14/585804814.db2.gz IGPKFGUHMNPIHC-UHFFFAOYSA-N 1 2 228.292 -0.088 20 0 BBADLO COC(C[N@@H+]1CCN(C2CC2)C(=O)C1)OC ZINC000781898277 585804813 /nfs/dbraw/zinc/80/48/13/585804813.db2.gz IGPKFGUHMNPIHC-UHFFFAOYSA-N 1 2 228.292 -0.088 20 0 BBADLO COC(C[N@H+]1CCSC[C@@H]1C(N)=O)OC ZINC000781903683 585805188 /nfs/dbraw/zinc/80/51/88/585805188.db2.gz GUOOFVDXYMTZOM-SSDOTTSWSA-N 1 2 234.321 -0.492 20 0 BBADLO COC(C[N@@H+]1CCSC[C@@H]1C(N)=O)OC ZINC000781903683 585805187 /nfs/dbraw/zinc/80/51/87/585805187.db2.gz GUOOFVDXYMTZOM-SSDOTTSWSA-N 1 2 234.321 -0.492 20 0 BBADLO COC(C[N@H+]1CCSC[C@H]1C(N)=O)OC ZINC000781903684 585805025 /nfs/dbraw/zinc/80/50/25/585805025.db2.gz GUOOFVDXYMTZOM-ZETCQYMHSA-N 1 2 234.321 -0.492 20 0 BBADLO COC(C[N@@H+]1CCSC[C@H]1C(N)=O)OC ZINC000781903684 585805024 /nfs/dbraw/zinc/80/50/24/585805024.db2.gz GUOOFVDXYMTZOM-ZETCQYMHSA-N 1 2 234.321 -0.492 20 0 BBADLO COC(=O)C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000781999869 585806188 /nfs/dbraw/zinc/80/61/88/585806188.db2.gz QSDKBWQSJNOOIO-UHFFFAOYSA-N 1 2 228.248 -0.266 20 0 BBADLO CC(=O)NCC(=O)OCCCn1cc[nH+]c1 ZINC000782024680 585806754 /nfs/dbraw/zinc/80/67/54/585806754.db2.gz YHESSNWEYQLKLE-UHFFFAOYSA-N 1 2 225.248 -0.048 20 0 BBADLO CNC(=O)[C@H]1C[N@@H+](CCC(=O)C2CC2)CCO1 ZINC000782099780 585807716 /nfs/dbraw/zinc/80/77/16/585807716.db2.gz XSNWXUUOJDEBPH-LLVKDONJSA-N 1 2 240.303 -0.198 20 0 BBADLO CNC(=O)[C@H]1C[N@H+](CCC(=O)C2CC2)CCO1 ZINC000782099780 585807715 /nfs/dbraw/zinc/80/77/15/585807715.db2.gz XSNWXUUOJDEBPH-LLVKDONJSA-N 1 2 240.303 -0.198 20 0 BBADLO CNC(=O)[C@@H]1C[N@@H+](CCC(=O)C2CC2)CCO1 ZINC000782099781 585807776 /nfs/dbraw/zinc/80/77/76/585807776.db2.gz XSNWXUUOJDEBPH-NSHDSACASA-N 1 2 240.303 -0.198 20 0 BBADLO CNC(=O)[C@@H]1C[N@H+](CCC(=O)C2CC2)CCO1 ZINC000782099781 585807775 /nfs/dbraw/zinc/80/77/75/585807775.db2.gz XSNWXUUOJDEBPH-NSHDSACASA-N 1 2 240.303 -0.198 20 0 BBADLO O=C(NN1CN=NC1=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000782125101 585808217 /nfs/dbraw/zinc/80/82/17/585808217.db2.gz HKVFIJKPTOUASJ-SSDOTTSWSA-N 1 2 248.246 -0.487 20 0 BBADLO O=C(NN1CN=NC1=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000782125102 585808054 /nfs/dbraw/zinc/80/80/54/585808054.db2.gz HKVFIJKPTOUASJ-ZETCQYMHSA-N 1 2 248.246 -0.487 20 0 BBADLO Cc1cn2c([nH+]1)CN(Cn1ncn(C)c1=O)CC2 ZINC000782279160 585813618 /nfs/dbraw/zinc/81/36/18/585813618.db2.gz BFUWBFSKGYFZLA-UHFFFAOYSA-N 1 2 248.290 -0.440 20 0 BBADLO COC[C@@H](O)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000782299936 585814342 /nfs/dbraw/zinc/81/43/42/585814342.db2.gz MIPSCUBZZRLCNI-NXEZZACHSA-N 1 2 247.291 -0.742 20 0 BBADLO COC[C@H](O)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000782299951 585814294 /nfs/dbraw/zinc/81/42/94/585814294.db2.gz MIPSCUBZZRLCNI-UWVGGRQHSA-N 1 2 247.291 -0.742 20 0 BBADLO COC[C@@H](O)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000782299955 585814001 /nfs/dbraw/zinc/81/40/01/585814001.db2.gz MIPSCUBZZRLCNI-VHSXEESVSA-N 1 2 247.291 -0.742 20 0 BBADLO COC[C@H](O)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000782299959 585813816 /nfs/dbraw/zinc/81/38/16/585813816.db2.gz MIPSCUBZZRLCNI-ZJUUUORDSA-N 1 2 247.291 -0.742 20 0 BBADLO CCNC(=O)CC(=O)OCC[NH+]1CCOCC1 ZINC000782345778 585816016 /nfs/dbraw/zinc/81/60/16/585816016.db2.gz HDCIDEXPRAVKIG-UHFFFAOYSA-N 1 2 244.291 -0.612 20 0 BBADLO CCNC(=O)CC(=O)OCCn1cc[nH+]c1 ZINC000782351250 585815636 /nfs/dbraw/zinc/81/56/36/585815636.db2.gz YYQIGCDPPHUTBA-UHFFFAOYSA-N 1 2 225.248 -0.048 20 0 BBADLO CC1(C(=O)OCC[NH+]2CCOCC2)COC1 ZINC000782393341 585816983 /nfs/dbraw/zinc/81/69/83/585816983.db2.gz RTPVXXLJFUYXNX-UHFFFAOYSA-N 1 2 229.276 -0.102 20 0 BBADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCOCCO ZINC000782581010 585820706 /nfs/dbraw/zinc/82/07/06/585820706.db2.gz PGBQTDPKNIGZSD-SECBINFHSA-N 1 2 216.281 -0.842 20 0 BBADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCOCCO ZINC000782581010 585820705 /nfs/dbraw/zinc/82/07/05/585820705.db2.gz PGBQTDPKNIGZSD-SECBINFHSA-N 1 2 216.281 -0.842 20 0 BBADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCOCCO ZINC000782581011 585820476 /nfs/dbraw/zinc/82/04/76/585820476.db2.gz PGBQTDPKNIGZSD-VIFPVBQESA-N 1 2 216.281 -0.842 20 0 BBADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCOCCO ZINC000782581011 585820475 /nfs/dbraw/zinc/82/04/75/585820475.db2.gz PGBQTDPKNIGZSD-VIFPVBQESA-N 1 2 216.281 -0.842 20 0 BBADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCN1CCCC1=O ZINC000782583706 585820600 /nfs/dbraw/zinc/82/06/00/585820600.db2.gz FWADBEGJJDCRJX-JTQLQIEISA-N 1 2 239.319 -0.229 20 0 BBADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCN1CCCC1=O ZINC000782583706 585820599 /nfs/dbraw/zinc/82/05/99/585820599.db2.gz FWADBEGJJDCRJX-JTQLQIEISA-N 1 2 239.319 -0.229 20 0 BBADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCN1CCCC1=O ZINC000782583707 585820417 /nfs/dbraw/zinc/82/04/17/585820417.db2.gz FWADBEGJJDCRJX-SNVBAGLBSA-N 1 2 239.319 -0.229 20 0 BBADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCN1CCCC1=O ZINC000782583707 585820416 /nfs/dbraw/zinc/82/04/16/585820416.db2.gz FWADBEGJJDCRJX-SNVBAGLBSA-N 1 2 239.319 -0.229 20 0 BBADLO COC(C[N@H+]1CC(=O)N(C)C[C@H]1C)OC ZINC000782584798 585820569 /nfs/dbraw/zinc/82/05/69/585820569.db2.gz FGEUHLCNYVYNCW-MRVPVSSYSA-N 1 2 216.281 -0.232 20 0 BBADLO COC(C[N@@H+]1CC(=O)N(C)C[C@H]1C)OC ZINC000782584798 585820568 /nfs/dbraw/zinc/82/05/68/585820568.db2.gz FGEUHLCNYVYNCW-MRVPVSSYSA-N 1 2 216.281 -0.232 20 0 BBADLO COC(C[N@H+]1CC(=O)N(C)C[C@@H]1C)OC ZINC000782584805 585820606 /nfs/dbraw/zinc/82/06/06/585820606.db2.gz FGEUHLCNYVYNCW-QMMMGPOBSA-N 1 2 216.281 -0.232 20 0 BBADLO COC(C[N@@H+]1CC(=O)N(C)C[C@@H]1C)OC ZINC000782584805 585820605 /nfs/dbraw/zinc/82/06/05/585820605.db2.gz FGEUHLCNYVYNCW-QMMMGPOBSA-N 1 2 216.281 -0.232 20 0 BBADLO COCCOCC[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782586075 585820929 /nfs/dbraw/zinc/82/09/29/585820929.db2.gz RAARBCZYMIMMNK-JTQLQIEISA-N 1 2 230.308 -0.188 20 0 BBADLO COCCOCC[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782586075 585820928 /nfs/dbraw/zinc/82/09/28/585820928.db2.gz RAARBCZYMIMMNK-JTQLQIEISA-N 1 2 230.308 -0.188 20 0 BBADLO COCCOCC[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000782586077 585820950 /nfs/dbraw/zinc/82/09/50/585820950.db2.gz RAARBCZYMIMMNK-SNVBAGLBSA-N 1 2 230.308 -0.188 20 0 BBADLO COCCOCC[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000782586077 585820949 /nfs/dbraw/zinc/82/09/49/585820949.db2.gz RAARBCZYMIMMNK-SNVBAGLBSA-N 1 2 230.308 -0.188 20 0 BBADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCN1CCOC1=O ZINC000782586965 585820878 /nfs/dbraw/zinc/82/08/78/585820878.db2.gz WMPUBTXHAXTSSD-SECBINFHSA-N 1 2 241.291 -0.399 20 0 BBADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCN1CCOC1=O ZINC000782586965 585820877 /nfs/dbraw/zinc/82/08/77/585820877.db2.gz WMPUBTXHAXTSSD-SECBINFHSA-N 1 2 241.291 -0.399 20 0 BBADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCN1CCOC1=O ZINC000782586966 585820932 /nfs/dbraw/zinc/82/09/32/585820932.db2.gz WMPUBTXHAXTSSD-VIFPVBQESA-N 1 2 241.291 -0.399 20 0 BBADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCN1CCOC1=O ZINC000782586966 585820931 /nfs/dbraw/zinc/82/09/31/585820931.db2.gz WMPUBTXHAXTSSD-VIFPVBQESA-N 1 2 241.291 -0.399 20 0 BBADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCn1cncn1 ZINC000782588266 585820886 /nfs/dbraw/zinc/82/08/86/585820886.db2.gz WFWHPKAHJHEKRP-SECBINFHSA-N 1 2 223.280 -0.559 20 0 BBADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCn1cncn1 ZINC000782588266 585820885 /nfs/dbraw/zinc/82/08/85/585820885.db2.gz WFWHPKAHJHEKRP-SECBINFHSA-N 1 2 223.280 -0.559 20 0 BBADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCn1cncn1 ZINC000782588276 585821058 /nfs/dbraw/zinc/82/10/58/585821058.db2.gz WFWHPKAHJHEKRP-VIFPVBQESA-N 1 2 223.280 -0.559 20 0 BBADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCn1cncn1 ZINC000782588276 585821057 /nfs/dbraw/zinc/82/10/57/585821057.db2.gz WFWHPKAHJHEKRP-VIFPVBQESA-N 1 2 223.280 -0.559 20 0 BBADLO C[C@@H]1CN(C)C(=O)CN1CC[NH+]1CCOCC1 ZINC000782591455 585820946 /nfs/dbraw/zinc/82/09/46/585820946.db2.gz LUDPNVRTACSFTO-LLVKDONJSA-N 1 2 241.335 -0.519 20 0 BBADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCN1CCOCC1 ZINC000782591455 585820945 /nfs/dbraw/zinc/82/09/45/585820945.db2.gz LUDPNVRTACSFTO-LLVKDONJSA-N 1 2 241.335 -0.519 20 0 BBADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCN1CCOCC1 ZINC000782591455 585820944 /nfs/dbraw/zinc/82/09/44/585820944.db2.gz LUDPNVRTACSFTO-LLVKDONJSA-N 1 2 241.335 -0.519 20 0 BBADLO C[C@H]1CN(C)C(=O)CN1CC[NH+]1CCOCC1 ZINC000782591456 585821490 /nfs/dbraw/zinc/82/14/90/585821490.db2.gz LUDPNVRTACSFTO-NSHDSACASA-N 1 2 241.335 -0.519 20 0 BBADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCN1CCOCC1 ZINC000782591456 585821489 /nfs/dbraw/zinc/82/14/89/585821489.db2.gz LUDPNVRTACSFTO-NSHDSACASA-N 1 2 241.335 -0.519 20 0 BBADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCN1CCOCC1 ZINC000782591456 585821488 /nfs/dbraw/zinc/82/14/88/585821488.db2.gz LUDPNVRTACSFTO-NSHDSACASA-N 1 2 241.335 -0.519 20 0 BBADLO CC(=O)NCCC[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000782592418 585821234 /nfs/dbraw/zinc/82/12/34/585821234.db2.gz QSRXYSXRYWOYFN-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CC(=O)NCCC[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000782592418 585821233 /nfs/dbraw/zinc/82/12/33/585821233.db2.gz QSRXYSXRYWOYFN-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CC(=O)NCCC[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782592419 585821211 /nfs/dbraw/zinc/82/12/11/585821211.db2.gz QSRXYSXRYWOYFN-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO CC(=O)NCCC[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782592419 585821210 /nfs/dbraw/zinc/82/12/10/585821210.db2.gz QSRXYSXRYWOYFN-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO CCOC[C@H](O)C[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000782595564 585821422 /nfs/dbraw/zinc/82/14/22/585821422.db2.gz KYBYIOGGFFNROI-NXEZZACHSA-N 1 2 230.308 -0.454 20 0 BBADLO CCOC[C@H](O)C[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000782595564 585821421 /nfs/dbraw/zinc/82/14/21/585821421.db2.gz KYBYIOGGFFNROI-NXEZZACHSA-N 1 2 230.308 -0.454 20 0 BBADLO CCOC[C@@H](O)C[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782595565 585821397 /nfs/dbraw/zinc/82/13/97/585821397.db2.gz KYBYIOGGFFNROI-UWVGGRQHSA-N 1 2 230.308 -0.454 20 0 BBADLO CCOC[C@@H](O)C[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782595565 585821396 /nfs/dbraw/zinc/82/13/96/585821396.db2.gz KYBYIOGGFFNROI-UWVGGRQHSA-N 1 2 230.308 -0.454 20 0 BBADLO CCOC[C@H](O)C[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782595566 585821495 /nfs/dbraw/zinc/82/14/95/585821495.db2.gz KYBYIOGGFFNROI-VHSXEESVSA-N 1 2 230.308 -0.454 20 0 BBADLO CCOC[C@H](O)C[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782595566 585821494 /nfs/dbraw/zinc/82/14/94/585821494.db2.gz KYBYIOGGFFNROI-VHSXEESVSA-N 1 2 230.308 -0.454 20 0 BBADLO CCOC[C@@H](O)C[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000782595567 585821405 /nfs/dbraw/zinc/82/14/05/585821405.db2.gz KYBYIOGGFFNROI-ZJUUUORDSA-N 1 2 230.308 -0.454 20 0 BBADLO CCOC[C@@H](O)C[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000782595567 585821404 /nfs/dbraw/zinc/82/14/04/585821404.db2.gz KYBYIOGGFFNROI-ZJUUUORDSA-N 1 2 230.308 -0.454 20 0 BBADLO CC(C)OC[C@H](O)C[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000782597093 644741365 /nfs/dbraw/zinc/74/13/65/644741365.db2.gz PCRDAAUCUUCOGJ-GHMZBOCLSA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)OC[C@H](O)C[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000782597093 644741358 /nfs/dbraw/zinc/74/13/58/644741358.db2.gz PCRDAAUCUUCOGJ-GHMZBOCLSA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)OC[C@@H](O)C[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000782597095 644741269 /nfs/dbraw/zinc/74/12/69/644741269.db2.gz PCRDAAUCUUCOGJ-MNOVXSKESA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)OC[C@@H](O)C[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000782597095 644741262 /nfs/dbraw/zinc/74/12/62/644741262.db2.gz PCRDAAUCUUCOGJ-MNOVXSKESA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)OC[C@@H](O)C[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782597096 644741108 /nfs/dbraw/zinc/74/11/08/644741108.db2.gz PCRDAAUCUUCOGJ-QWRGUYRKSA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)OC[C@@H](O)C[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782597096 644741098 /nfs/dbraw/zinc/74/10/98/644741098.db2.gz PCRDAAUCUUCOGJ-QWRGUYRKSA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)OC[C@H](O)C[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782597097 644741322 /nfs/dbraw/zinc/74/13/22/644741322.db2.gz PCRDAAUCUUCOGJ-WDEREUQCSA-N 1 2 244.335 -0.065 20 0 BBADLO CC(C)OC[C@H](O)C[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782597097 644741318 /nfs/dbraw/zinc/74/13/18/644741318.db2.gz PCRDAAUCUUCOGJ-WDEREUQCSA-N 1 2 244.335 -0.065 20 0 BBADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CC1(CO)COC1 ZINC000782598783 644741823 /nfs/dbraw/zinc/74/18/23/644741823.db2.gz WZDBGETWHQNYJP-SECBINFHSA-N 1 2 228.292 -0.842 20 0 BBADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CC1(CO)COC1 ZINC000782598783 644741816 /nfs/dbraw/zinc/74/18/16/644741816.db2.gz WZDBGETWHQNYJP-SECBINFHSA-N 1 2 228.292 -0.842 20 0 BBADLO C[C@H]1CN(C)C(=O)C[N@H+]1CC1(CO)COC1 ZINC000782598784 644741730 /nfs/dbraw/zinc/74/17/30/644741730.db2.gz WZDBGETWHQNYJP-VIFPVBQESA-N 1 2 228.292 -0.842 20 0 BBADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CC1(CO)COC1 ZINC000782598784 644741725 /nfs/dbraw/zinc/74/17/25/644741725.db2.gz WZDBGETWHQNYJP-VIFPVBQESA-N 1 2 228.292 -0.842 20 0 BBADLO C[N@@H+](CCS(C)(=O)=O)CC1(CO)CC1 ZINC000782599185 644742082 /nfs/dbraw/zinc/74/20/82/644742082.db2.gz GTHITCLUYNJJLI-UHFFFAOYSA-N 1 2 221.322 -0.265 20 0 BBADLO C[N@H+](CCS(C)(=O)=O)CC1(CO)CC1 ZINC000782599185 644742075 /nfs/dbraw/zinc/74/20/75/644742075.db2.gz GTHITCLUYNJJLI-UHFFFAOYSA-N 1 2 221.322 -0.265 20 0 BBADLO CCS(=O)(=O)CC[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782609932 585822070 /nfs/dbraw/zinc/82/20/70/585822070.db2.gz TVBALSMQQKQIGM-VHSXEESVSA-N 1 2 233.333 -0.265 20 0 BBADLO CCS(=O)(=O)CC[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782609932 585822069 /nfs/dbraw/zinc/82/20/69/585822069.db2.gz TVBALSMQQKQIGM-VHSXEESVSA-N 1 2 233.333 -0.265 20 0 BBADLO CCS(=O)(=O)CC[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782609933 585822044 /nfs/dbraw/zinc/82/20/44/585822044.db2.gz TVBALSMQQKQIGM-ZJUUUORDSA-N 1 2 233.333 -0.265 20 0 BBADLO CCS(=O)(=O)CC[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782609933 585822043 /nfs/dbraw/zinc/82/20/43/585822043.db2.gz TVBALSMQQKQIGM-ZJUUUORDSA-N 1 2 233.333 -0.265 20 0 BBADLO C[C@@H]1C[N@@H+](CCS(N)(=O)=O)[C@H](C)[C@H](C)O1 ZINC000782633827 585823788 /nfs/dbraw/zinc/82/37/88/585823788.db2.gz LNPJJWLVKNPQJQ-HLTSFMKQSA-N 1 2 236.337 -0.227 20 0 BBADLO C[C@@H]1C[N@H+](CCS(N)(=O)=O)[C@H](C)[C@H](C)O1 ZINC000782633827 585823787 /nfs/dbraw/zinc/82/37/87/585823787.db2.gz LNPJJWLVKNPQJQ-HLTSFMKQSA-N 1 2 236.337 -0.227 20 0 BBADLO C[C@@H]1C[N@@H+](CCS(N)(=O)=O)[C@@H](C)[C@@H](C)O1 ZINC000782633828 585823559 /nfs/dbraw/zinc/82/35/59/585823559.db2.gz LNPJJWLVKNPQJQ-HRDYMLBCSA-N 1 2 236.337 -0.227 20 0 BBADLO C[C@@H]1C[N@H+](CCS(N)(=O)=O)[C@@H](C)[C@@H](C)O1 ZINC000782633828 585823558 /nfs/dbraw/zinc/82/35/58/585823558.db2.gz LNPJJWLVKNPQJQ-HRDYMLBCSA-N 1 2 236.337 -0.227 20 0 BBADLO C[C@@H]1C[N@@H+](CCS(N)(=O)=O)[C@H](C)[C@@H](C)O1 ZINC000782633830 585823615 /nfs/dbraw/zinc/82/36/15/585823615.db2.gz LNPJJWLVKNPQJQ-IWSPIJDZSA-N 1 2 236.337 -0.227 20 0 BBADLO C[C@@H]1C[N@H+](CCS(N)(=O)=O)[C@H](C)[C@@H](C)O1 ZINC000782633830 585823614 /nfs/dbraw/zinc/82/36/14/585823614.db2.gz LNPJJWLVKNPQJQ-IWSPIJDZSA-N 1 2 236.337 -0.227 20 0 BBADLO C[C@@H]1C[N@@H+](CCS(N)(=O)=O)[C@@H](C)[C@H](C)O1 ZINC000782633832 585823776 /nfs/dbraw/zinc/82/37/76/585823776.db2.gz LNPJJWLVKNPQJQ-VGMNWLOBSA-N 1 2 236.337 -0.227 20 0 BBADLO C[C@@H]1C[N@H+](CCS(N)(=O)=O)[C@@H](C)[C@H](C)O1 ZINC000782633832 585823775 /nfs/dbraw/zinc/82/37/75/585823775.db2.gz LNPJJWLVKNPQJQ-VGMNWLOBSA-N 1 2 236.337 -0.227 20 0 BBADLO OC[C@]12C[C@H]1C[N@@H+](Cc1nnnn1C1CC1)C2 ZINC000782635159 585823622 /nfs/dbraw/zinc/82/36/22/585823622.db2.gz UFRHUNGMUBKXQG-GZMMTYOYSA-N 1 2 235.291 -0.178 20 0 BBADLO OC[C@]12C[C@H]1C[N@H+](Cc1nnnn1C1CC1)C2 ZINC000782635159 585823621 /nfs/dbraw/zinc/82/36/21/585823621.db2.gz UFRHUNGMUBKXQG-GZMMTYOYSA-N 1 2 235.291 -0.178 20 0 BBADLO OC[C@@]12C[C@@H]1C[N@@H+](Cc1nnnn1C1CC1)C2 ZINC000782635160 585823716 /nfs/dbraw/zinc/82/37/16/585823716.db2.gz UFRHUNGMUBKXQG-KCJUWKMLSA-N 1 2 235.291 -0.178 20 0 BBADLO OC[C@@]12C[C@@H]1C[N@H+](Cc1nnnn1C1CC1)C2 ZINC000782635160 585823715 /nfs/dbraw/zinc/82/37/15/585823715.db2.gz UFRHUNGMUBKXQG-KCJUWKMLSA-N 1 2 235.291 -0.178 20 0 BBADLO NS(=O)(=O)CC[N@H+]1CCc2ncsc2C1 ZINC000782636508 585823580 /nfs/dbraw/zinc/82/35/80/585823580.db2.gz VRTINWBAPWUHCM-UHFFFAOYSA-N 1 2 247.345 -0.210 20 0 BBADLO NS(=O)(=O)CC[N@@H+]1CCc2ncsc2C1 ZINC000782636508 585823579 /nfs/dbraw/zinc/82/35/79/585823579.db2.gz VRTINWBAPWUHCM-UHFFFAOYSA-N 1 2 247.345 -0.210 20 0 BBADLO CS(=O)(=O)CC(=O)OCCCn1cc[nH+]c1 ZINC000783127874 585828188 /nfs/dbraw/zinc/82/81/88/585828188.db2.gz XUOCFKKWECUONO-UHFFFAOYSA-N 1 2 246.288 -0.139 20 0 BBADLO O=C(CC[NH+]1CCOCC1)NCC(=O)C1CC1 ZINC000783595767 585837690 /nfs/dbraw/zinc/83/76/90/585837690.db2.gz UZCMXOSUGHTPSM-UHFFFAOYSA-N 1 2 240.303 -0.196 20 0 BBADLO O=C(Cn1cc[nH+]c1)NN1CCCNC1=O ZINC000783600685 585838052 /nfs/dbraw/zinc/83/80/52/585838052.db2.gz QGQDWBCFDNDHTR-UHFFFAOYSA-N 1 2 223.236 -0.670 20 0 BBADLO O=C(CCn1cc[nH+]c1)NN1CCCNC1=O ZINC000783600694 585838080 /nfs/dbraw/zinc/83/80/80/585838080.db2.gz QOATVGYTXYEGKO-UHFFFAOYSA-N 1 2 237.263 -0.280 20 0 BBADLO O=C(OCCCn1cc[nH+]c1)[C@H]1CNC(=O)N1 ZINC000783615508 585838425 /nfs/dbraw/zinc/83/84/25/585838425.db2.gz RXADJHFXFCRIKB-MRVPVSSYSA-N 1 2 238.247 -0.502 20 0 BBADLO O=C(OCCCn1cc[nH+]c1)[C@@H]1CNC(=O)N1 ZINC000783615512 585838440 /nfs/dbraw/zinc/83/84/40/585838440.db2.gz RXADJHFXFCRIKB-QMMMGPOBSA-N 1 2 238.247 -0.502 20 0 BBADLO COCCONC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000783654852 582960388 /nfs/dbraw/zinc/96/03/88/582960388.db2.gz AAKIXYLNEDSFPL-JTQLQIEISA-N 1 2 246.307 -0.351 20 0 BBADLO COCCONC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000783654875 582960320 /nfs/dbraw/zinc/96/03/20/582960320.db2.gz AAKIXYLNEDSFPL-SNVBAGLBSA-N 1 2 246.307 -0.351 20 0 BBADLO C[C@@H]1CN(C)C(=O)CN1C(=O)Cn1cc[nH+]c1 ZINC000783755137 585842070 /nfs/dbraw/zinc/84/20/70/585842070.db2.gz GDZUZNIJEZOXTE-SECBINFHSA-N 1 2 236.275 -0.428 20 0 BBADLO C[C@H]1CN(C)C(=O)CN1C(=O)Cn1cc[nH+]c1 ZINC000783755138 585842178 /nfs/dbraw/zinc/84/21/78/585842178.db2.gz GDZUZNIJEZOXTE-VIFPVBQESA-N 1 2 236.275 -0.428 20 0 BBADLO FC1CN(C(=S)NCC[NH+]2CCOCC2)C1 ZINC000783763969 585842483 /nfs/dbraw/zinc/84/24/83/585842483.db2.gz LGWFQXSYFSHEEZ-UHFFFAOYSA-N 1 2 247.339 -0.153 20 0 BBADLO COC[C@H]1C[N@@H+](Cn2cnnc2)C[C@@H](C)O1 ZINC000783968450 585846267 /nfs/dbraw/zinc/84/62/67/585846267.db2.gz SUWGKYQMVQWTBH-NXEZZACHSA-N 1 2 226.280 -0.029 20 0 BBADLO COC[C@H]1C[N@H+](Cn2cnnc2)C[C@@H](C)O1 ZINC000783968450 585846266 /nfs/dbraw/zinc/84/62/66/585846266.db2.gz SUWGKYQMVQWTBH-NXEZZACHSA-N 1 2 226.280 -0.029 20 0 BBADLO COC[C@@H]1C[N@@H+](Cn2cnnc2)C[C@H](C)O1 ZINC000783968451 585846364 /nfs/dbraw/zinc/84/63/64/585846364.db2.gz SUWGKYQMVQWTBH-UWVGGRQHSA-N 1 2 226.280 -0.029 20 0 BBADLO COC[C@@H]1C[N@H+](Cn2cnnc2)C[C@H](C)O1 ZINC000783968451 585846363 /nfs/dbraw/zinc/84/63/63/585846363.db2.gz SUWGKYQMVQWTBH-UWVGGRQHSA-N 1 2 226.280 -0.029 20 0 BBADLO COC[C@H]1C[N@@H+](Cn2cnnc2)C[C@H](C)O1 ZINC000783968452 585846324 /nfs/dbraw/zinc/84/63/24/585846324.db2.gz SUWGKYQMVQWTBH-VHSXEESVSA-N 1 2 226.280 -0.029 20 0 BBADLO COC[C@H]1C[N@H+](Cn2cnnc2)C[C@H](C)O1 ZINC000783968452 585846323 /nfs/dbraw/zinc/84/63/23/585846323.db2.gz SUWGKYQMVQWTBH-VHSXEESVSA-N 1 2 226.280 -0.029 20 0 BBADLO COC[C@@H]1C[N@@H+](Cn2cnnc2)C[C@@H](C)O1 ZINC000783968453 585846168 /nfs/dbraw/zinc/84/61/68/585846168.db2.gz SUWGKYQMVQWTBH-ZJUUUORDSA-N 1 2 226.280 -0.029 20 0 BBADLO COC[C@@H]1C[N@H+](Cn2cnnc2)C[C@@H](C)O1 ZINC000783968453 585846167 /nfs/dbraw/zinc/84/61/67/585846167.db2.gz SUWGKYQMVQWTBH-ZJUUUORDSA-N 1 2 226.280 -0.029 20 0 BBADLO CON(C)C(=O)C[N@H+]1CCSC[C@H]1CO ZINC000784238149 585853259 /nfs/dbraw/zinc/85/32/59/585853259.db2.gz SOGFFKHYRQWZTE-MRVPVSSYSA-N 1 2 234.321 -0.584 20 0 BBADLO CON(C)C(=O)C[N@@H+]1CCSC[C@H]1CO ZINC000784238149 585853258 /nfs/dbraw/zinc/85/32/58/585853258.db2.gz SOGFFKHYRQWZTE-MRVPVSSYSA-N 1 2 234.321 -0.584 20 0 BBADLO CON(C)C(=O)C[N@H+]1CCSC[C@@H]1CO ZINC000784238153 585853232 /nfs/dbraw/zinc/85/32/32/585853232.db2.gz SOGFFKHYRQWZTE-QMMMGPOBSA-N 1 2 234.321 -0.584 20 0 BBADLO CON(C)C(=O)C[N@@H+]1CCSC[C@@H]1CO ZINC000784238153 585853231 /nfs/dbraw/zinc/85/32/31/585853231.db2.gz SOGFFKHYRQWZTE-QMMMGPOBSA-N 1 2 234.321 -0.584 20 0 BBADLO COC[C@H]1C[N@@H+](CC(=O)N(C)OC)C[C@@H](C)O1 ZINC000784369376 585857668 /nfs/dbraw/zinc/85/76/68/585857668.db2.gz ZYSBAMAKWPBQBD-NXEZZACHSA-N 1 2 246.307 -0.258 20 0 BBADLO COC[C@H]1C[N@H+](CC(=O)N(C)OC)C[C@@H](C)O1 ZINC000784369376 585857667 /nfs/dbraw/zinc/85/76/67/585857667.db2.gz ZYSBAMAKWPBQBD-NXEZZACHSA-N 1 2 246.307 -0.258 20 0 BBADLO COC[C@@H]1C[N@@H+](CC(=O)N(C)OC)C[C@H](C)O1 ZINC000784369378 585857463 /nfs/dbraw/zinc/85/74/63/585857463.db2.gz ZYSBAMAKWPBQBD-UWVGGRQHSA-N 1 2 246.307 -0.258 20 0 BBADLO COC[C@@H]1C[N@H+](CC(=O)N(C)OC)C[C@H](C)O1 ZINC000784369378 585857462 /nfs/dbraw/zinc/85/74/62/585857462.db2.gz ZYSBAMAKWPBQBD-UWVGGRQHSA-N 1 2 246.307 -0.258 20 0 BBADLO COC[C@H]1C[N@@H+](CC(=O)N(C)OC)C[C@H](C)O1 ZINC000784369380 585857589 /nfs/dbraw/zinc/85/75/89/585857589.db2.gz ZYSBAMAKWPBQBD-VHSXEESVSA-N 1 2 246.307 -0.258 20 0 BBADLO COC[C@H]1C[N@H+](CC(=O)N(C)OC)C[C@H](C)O1 ZINC000784369380 585857588 /nfs/dbraw/zinc/85/75/88/585857588.db2.gz ZYSBAMAKWPBQBD-VHSXEESVSA-N 1 2 246.307 -0.258 20 0 BBADLO COC[C@@H]1C[N@@H+](CC(=O)N(C)OC)C[C@@H](C)O1 ZINC000784369381 585857609 /nfs/dbraw/zinc/85/76/09/585857609.db2.gz ZYSBAMAKWPBQBD-ZJUUUORDSA-N 1 2 246.307 -0.258 20 0 BBADLO COC[C@@H]1C[N@H+](CC(=O)N(C)OC)C[C@@H](C)O1 ZINC000784369381 585857608 /nfs/dbraw/zinc/85/76/08/585857608.db2.gz ZYSBAMAKWPBQBD-ZJUUUORDSA-N 1 2 246.307 -0.258 20 0 BBADLO CC(CO)(CO)C(=O)OCCCn1cc[nH+]c1 ZINC000784388961 585857871 /nfs/dbraw/zinc/85/78/71/585857871.db2.gz MIYKZMRRGDPJRZ-UHFFFAOYSA-N 1 2 242.275 -0.193 20 0 BBADLO COC[C@@H](O)C(=O)OCCCn1cc[nH+]c1 ZINC000784452584 585860427 /nfs/dbraw/zinc/86/04/27/585860427.db2.gz FWWVCDWJSRCHPW-SECBINFHSA-N 1 2 228.248 -0.176 20 0 BBADLO COC[C@H](O)C(=O)OCCCn1cc[nH+]c1 ZINC000784452586 585860314 /nfs/dbraw/zinc/86/03/14/585860314.db2.gz FWWVCDWJSRCHPW-VIFPVBQESA-N 1 2 228.248 -0.176 20 0 BBADLO Cc1nc(NC[C@H]2CC(C(N)=O)=NO2)cc[nH+]1 ZINC000784542182 585863167 /nfs/dbraw/zinc/86/31/67/585863167.db2.gz PKHGQRGIMOXCPS-SSDOTTSWSA-N 1 2 235.247 -0.173 20 0 BBADLO Cc1nc(NC[C@@H]2CC(C(N)=O)=NO2)cc[nH+]1 ZINC000784542184 585863051 /nfs/dbraw/zinc/86/30/51/585863051.db2.gz PKHGQRGIMOXCPS-ZETCQYMHSA-N 1 2 235.247 -0.173 20 0 BBADLO CNC(=O)CC(=O)OCCCn1cc[nH+]c1 ZINC000784798969 585866524 /nfs/dbraw/zinc/86/65/24/585866524.db2.gz RUNSPGQASHBZGI-UHFFFAOYSA-N 1 2 225.248 -0.048 20 0 BBADLO COCC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000784907335 585868213 /nfs/dbraw/zinc/86/82/13/585868213.db2.gz LAYRSHLIKBBMRV-SECBINFHSA-N 1 2 217.265 -0.103 20 0 BBADLO COCC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000784907345 585868305 /nfs/dbraw/zinc/86/83/05/585868305.db2.gz LAYRSHLIKBBMRV-VIFPVBQESA-N 1 2 217.265 -0.103 20 0 BBADLO CC[C@]1(C)C[N@@H+](CCS(N)(=O)=O)CCO1 ZINC000785494183 585874644 /nfs/dbraw/zinc/87/46/44/585874644.db2.gz CEECVRUSBDOKCZ-SECBINFHSA-N 1 2 236.337 -0.224 20 0 BBADLO CC[C@]1(C)C[N@H+](CCS(N)(=O)=O)CCO1 ZINC000785494183 585874643 /nfs/dbraw/zinc/87/46/43/585874643.db2.gz CEECVRUSBDOKCZ-SECBINFHSA-N 1 2 236.337 -0.224 20 0 BBADLO CC[C@@]1(C)C[N@@H+](CCS(N)(=O)=O)CCO1 ZINC000785494184 585874727 /nfs/dbraw/zinc/87/47/27/585874727.db2.gz CEECVRUSBDOKCZ-VIFPVBQESA-N 1 2 236.337 -0.224 20 0 BBADLO CC[C@@]1(C)C[N@H+](CCS(N)(=O)=O)CCO1 ZINC000785494184 585874726 /nfs/dbraw/zinc/87/47/26/585874726.db2.gz CEECVRUSBDOKCZ-VIFPVBQESA-N 1 2 236.337 -0.224 20 0 BBADLO NC(CN1CCOCC1)=[NH+]OCCC1(O)CC1 ZINC000785518972 585875351 /nfs/dbraw/zinc/87/53/51/585875351.db2.gz ZYZAMQNQOZQELW-UHFFFAOYSA-N 1 2 243.307 -0.268 20 0 BBADLO Cc1nonc1C[N@H+](C[C@@H](C)O)[C@H](C)CO ZINC000785536030 585875391 /nfs/dbraw/zinc/87/53/91/585875391.db2.gz AUMYTBUICOEOFQ-HTQZYQBOSA-N 1 2 229.280 -0.058 20 0 BBADLO Cc1nonc1C[N@@H+](C[C@@H](C)O)[C@H](C)CO ZINC000785536030 585875390 /nfs/dbraw/zinc/87/53/90/585875390.db2.gz AUMYTBUICOEOFQ-HTQZYQBOSA-N 1 2 229.280 -0.058 20 0 BBADLO Cc1nonc1C[N@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000785536031 585875295 /nfs/dbraw/zinc/87/52/95/585875295.db2.gz AUMYTBUICOEOFQ-JGVFFNPUSA-N 1 2 229.280 -0.058 20 0 BBADLO Cc1nonc1C[N@@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000785536031 585875294 /nfs/dbraw/zinc/87/52/94/585875294.db2.gz AUMYTBUICOEOFQ-JGVFFNPUSA-N 1 2 229.280 -0.058 20 0 BBADLO Cc1nonc1C[N@H+](C[C@H](C)O)[C@H](C)CO ZINC000785536032 585875127 /nfs/dbraw/zinc/87/51/27/585875127.db2.gz AUMYTBUICOEOFQ-SFYZADRCSA-N 1 2 229.280 -0.058 20 0 BBADLO Cc1nonc1C[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000785536032 585875126 /nfs/dbraw/zinc/87/51/26/585875126.db2.gz AUMYTBUICOEOFQ-SFYZADRCSA-N 1 2 229.280 -0.058 20 0 BBADLO Cc1nonc1C[N@H+](C[C@H](C)O)[C@@H](C)CO ZINC000785536033 585875199 /nfs/dbraw/zinc/87/51/99/585875199.db2.gz AUMYTBUICOEOFQ-YUMQZZPRSA-N 1 2 229.280 -0.058 20 0 BBADLO Cc1nonc1C[N@@H+](C[C@H](C)O)[C@@H](C)CO ZINC000785536033 585875198 /nfs/dbraw/zinc/87/51/98/585875198.db2.gz AUMYTBUICOEOFQ-YUMQZZPRSA-N 1 2 229.280 -0.058 20 0 BBADLO Cn1ccc(C(=O)OCC[NH+]2CCOCC2)n1 ZINC000785694817 585878549 /nfs/dbraw/zinc/87/85/49/585878549.db2.gz UXWDXJYRVZLJDU-UHFFFAOYSA-N 1 2 239.275 -0.091 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)OC(=O)C1COC1 ZINC000785772383 585880501 /nfs/dbraw/zinc/88/05/01/585880501.db2.gz IMSGZQATMSTMPC-SECBINFHSA-N 1 2 229.276 -0.103 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)C1COC1 ZINC000785772393 585880492 /nfs/dbraw/zinc/88/04/92/585880492.db2.gz IMSGZQATMSTMPC-VIFPVBQESA-N 1 2 229.276 -0.103 20 0 BBADLO O=C(OCC[NH+]1CCOCC1)C1COC1 ZINC000785774686 585880639 /nfs/dbraw/zinc/88/06/39/585880639.db2.gz GWLVXOGFIPXCMQ-UHFFFAOYSA-N 1 2 215.249 -0.492 20 0 BBADLO Cn1ncc(C(=O)NCCn2cc[nH+]c2)n1 ZINC000785850904 585882059 /nfs/dbraw/zinc/88/20/59/585882059.db2.gz JCYOCNQUVBPCFM-UHFFFAOYSA-N 1 2 220.236 -0.558 20 0 BBADLO COCC[N@@H+](CC(=O)N(C)OC)[C@H]1CCOC1 ZINC000786193233 585888424 /nfs/dbraw/zinc/88/84/24/585888424.db2.gz YHDRPFNIADMDOS-JTQLQIEISA-N 1 2 246.307 -0.257 20 0 BBADLO COCC[N@H+](CC(=O)N(C)OC)[C@H]1CCOC1 ZINC000786193233 585888423 /nfs/dbraw/zinc/88/84/23/585888423.db2.gz YHDRPFNIADMDOS-JTQLQIEISA-N 1 2 246.307 -0.257 20 0 BBADLO COCC[N@@H+](CC(=O)N(C)OC)[C@@H]1CCOC1 ZINC000786193234 585888514 /nfs/dbraw/zinc/88/85/14/585888514.db2.gz YHDRPFNIADMDOS-SNVBAGLBSA-N 1 2 246.307 -0.257 20 0 BBADLO COCC[N@H+](CC(=O)N(C)OC)[C@@H]1CCOC1 ZINC000786193234 585888513 /nfs/dbraw/zinc/88/85/13/585888513.db2.gz YHDRPFNIADMDOS-SNVBAGLBSA-N 1 2 246.307 -0.257 20 0 BBADLO Cn1ncc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000786407516 585891020 /nfs/dbraw/zinc/89/10/20/585891020.db2.gz HYEZZEXDILXZDX-SSDOTTSWSA-N 1 2 246.274 -0.175 20 0 BBADLO Cn1ncc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000786407516 585891019 /nfs/dbraw/zinc/89/10/19/585891019.db2.gz HYEZZEXDILXZDX-SSDOTTSWSA-N 1 2 246.274 -0.175 20 0 BBADLO Cn1ncc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000786407517 585890944 /nfs/dbraw/zinc/89/09/44/585890944.db2.gz HYEZZEXDILXZDX-ZETCQYMHSA-N 1 2 246.274 -0.175 20 0 BBADLO Cn1ncc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000786407517 585890943 /nfs/dbraw/zinc/89/09/43/585890943.db2.gz HYEZZEXDILXZDX-ZETCQYMHSA-N 1 2 246.274 -0.175 20 0 BBADLO Cn1ncc(C(=O)Nc2cc[nH+]cc2O)n1 ZINC000786468048 585892016 /nfs/dbraw/zinc/89/20/16/585892016.db2.gz PPNQESQGDGWGDT-UHFFFAOYSA-N 1 2 219.204 -0.410 20 0 BBADLO CN(C)c1noc(CO[NH+]=C(N)CCO)n1 ZINC000786893260 585898421 /nfs/dbraw/zinc/89/84/21/585898421.db2.gz FLCWDVMPLQCAGZ-UHFFFAOYSA-N 1 2 229.240 -0.484 20 0 BBADLO CCn1ncnc1CO[NH+]=C(N)CCO ZINC000786893345 585898353 /nfs/dbraw/zinc/89/83/53/585898353.db2.gz HJQQSBXMIIRQBH-UHFFFAOYSA-N 1 2 213.241 -0.321 20 0 BBADLO Nc1ccnc(C(=O)NCc2ccc(N)[nH+]c2)n1 ZINC000786997969 585899704 /nfs/dbraw/zinc/89/97/04/585899704.db2.gz XXRJABBEUKHRDQ-UHFFFAOYSA-N 1 2 244.258 -0.204 20 0 BBADLO CO[C@H]1CC(=O)N(C[N@H+]2CCCOCC2)C1 ZINC000787212887 585903168 /nfs/dbraw/zinc/90/31/68/585903168.db2.gz GJSZQXCKQWAIBX-JTQLQIEISA-N 1 2 228.292 -0.087 20 0 BBADLO CO[C@H]1CC(=O)N(C[N@@H+]2CCCOCC2)C1 ZINC000787212887 585903167 /nfs/dbraw/zinc/90/31/67/585903167.db2.gz GJSZQXCKQWAIBX-JTQLQIEISA-N 1 2 228.292 -0.087 20 0 BBADLO CO[C@@H]1CC(=O)N(C[N@H+]2CCCOCC2)C1 ZINC000787212888 585903190 /nfs/dbraw/zinc/90/31/90/585903190.db2.gz GJSZQXCKQWAIBX-SNVBAGLBSA-N 1 2 228.292 -0.087 20 0 BBADLO CO[C@@H]1CC(=O)N(C[N@@H+]2CCCOCC2)C1 ZINC000787212888 585903189 /nfs/dbraw/zinc/90/31/89/585903189.db2.gz GJSZQXCKQWAIBX-SNVBAGLBSA-N 1 2 228.292 -0.087 20 0 BBADLO CO[C@@H]1CC(=O)N(C[N@H+]2CCNC(=O)CC2)C1 ZINC000787221385 585903578 /nfs/dbraw/zinc/90/35/78/585903578.db2.gz SLROZPWXTXPQAI-SECBINFHSA-N 1 2 241.291 -0.987 20 0 BBADLO CO[C@@H]1CC(=O)N(C[N@@H+]2CCNC(=O)CC2)C1 ZINC000787221385 585903577 /nfs/dbraw/zinc/90/35/77/585903577.db2.gz SLROZPWXTXPQAI-SECBINFHSA-N 1 2 241.291 -0.987 20 0 BBADLO CO[C@H]1CC(=O)N(C[N@H+]2CCNC(=O)CC2)C1 ZINC000787221386 585903440 /nfs/dbraw/zinc/90/34/40/585903440.db2.gz SLROZPWXTXPQAI-VIFPVBQESA-N 1 2 241.291 -0.987 20 0 BBADLO CO[C@H]1CC(=O)N(C[N@@H+]2CCNC(=O)CC2)C1 ZINC000787221386 585903439 /nfs/dbraw/zinc/90/34/39/585903439.db2.gz SLROZPWXTXPQAI-VIFPVBQESA-N 1 2 241.291 -0.987 20 0 BBADLO CO[C@@H]1CC(=O)N(C[N@@H+](C)[C@H]2CCNC2=O)C1 ZINC000787228544 585903729 /nfs/dbraw/zinc/90/37/29/585903729.db2.gz PKOKITQSBYBOOT-BDAKNGLRSA-N 1 2 241.291 -0.989 20 0 BBADLO CO[C@@H]1CC(=O)N(C[N@H+](C)[C@H]2CCNC2=O)C1 ZINC000787228544 585903728 /nfs/dbraw/zinc/90/37/28/585903728.db2.gz PKOKITQSBYBOOT-BDAKNGLRSA-N 1 2 241.291 -0.989 20 0 BBADLO CO[C@H]1CC(=O)N(C[N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC000787229172 585903752 /nfs/dbraw/zinc/90/37/52/585903752.db2.gz PKOKITQSBYBOOT-DTWKUNHWSA-N 1 2 241.291 -0.989 20 0 BBADLO CO[C@H]1CC(=O)N(C[N@H+](C)[C@@H]2CCNC2=O)C1 ZINC000787229172 585903751 /nfs/dbraw/zinc/90/37/51/585903751.db2.gz PKOKITQSBYBOOT-DTWKUNHWSA-N 1 2 241.291 -0.989 20 0 BBADLO CO[C@H]1CC(=O)N(C[N@@H+](C)[C@H]2CCNC2=O)C1 ZINC000787229173 585903743 /nfs/dbraw/zinc/90/37/43/585903743.db2.gz PKOKITQSBYBOOT-IUCAKERBSA-N 1 2 241.291 -0.989 20 0 BBADLO CO[C@H]1CC(=O)N(C[N@H+](C)[C@H]2CCNC2=O)C1 ZINC000787229173 585903742 /nfs/dbraw/zinc/90/37/42/585903742.db2.gz PKOKITQSBYBOOT-IUCAKERBSA-N 1 2 241.291 -0.989 20 0 BBADLO CO[C@@H]1CC(=O)N(C[N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC000787229174 585903564 /nfs/dbraw/zinc/90/35/64/585903564.db2.gz PKOKITQSBYBOOT-RKDXNWHRSA-N 1 2 241.291 -0.989 20 0 BBADLO CO[C@@H]1CC(=O)N(C[N@H+](C)[C@@H]2CCNC2=O)C1 ZINC000787229174 585903563 /nfs/dbraw/zinc/90/35/63/585903563.db2.gz PKOKITQSBYBOOT-RKDXNWHRSA-N 1 2 241.291 -0.989 20 0 BBADLO O=C(CCCn1cc[nH+]c1)NOCCO ZINC000787284247 585904833 /nfs/dbraw/zinc/90/48/33/585904833.db2.gz SEODIKMMSXTPPK-UHFFFAOYSA-N 1 2 213.237 -0.297 20 0 BBADLO O=C(NOCCO)c1ccc2[nH+]ccn2c1 ZINC000787284886 585904916 /nfs/dbraw/zinc/90/49/16/585904916.db2.gz MWZQRWQJQYWVLG-UHFFFAOYSA-N 1 2 221.216 -0.012 20 0 BBADLO O=C(NOCCO)[C@@H]1CCc2[nH+]ccn2C1 ZINC000787291104 585905158 /nfs/dbraw/zinc/90/51/58/585905158.db2.gz HHFHSOUCBACRRZ-MRVPVSSYSA-N 1 2 225.248 -0.514 20 0 BBADLO O=C(NOCCO)[C@H]1CCc2[nH+]ccn2C1 ZINC000787291105 585905213 /nfs/dbraw/zinc/90/52/13/585905213.db2.gz HHFHSOUCBACRRZ-QMMMGPOBSA-N 1 2 225.248 -0.514 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000787312490 585906529 /nfs/dbraw/zinc/90/65/29/585906529.db2.gz VHYVSFDXVHANSG-KHQFGBGNSA-N 1 2 223.280 -0.415 20 0 BBADLO C[C@H](c1nnnn1C)[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000787312490 585906528 /nfs/dbraw/zinc/90/65/28/585906528.db2.gz VHYVSFDXVHANSG-KHQFGBGNSA-N 1 2 223.280 -0.415 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000787312491 585906331 /nfs/dbraw/zinc/90/63/31/585906331.db2.gz VHYVSFDXVHANSG-MRTMQBJTSA-N 1 2 223.280 -0.415 20 0 BBADLO C[C@H](c1nnnn1C)[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000787312491 585906330 /nfs/dbraw/zinc/90/63/30/585906330.db2.gz VHYVSFDXVHANSG-MRTMQBJTSA-N 1 2 223.280 -0.415 20 0 BBADLO C[C@@H]1C[N@@H+](CC2OCCO2)C[C@@H](CO)O1 ZINC000787315311 585906875 /nfs/dbraw/zinc/90/68/75/585906875.db2.gz ZYYAWHOYVHPDJG-BDAKNGLRSA-N 1 2 217.265 -0.559 20 0 BBADLO C[C@@H]1C[N@H+](CC2OCCO2)C[C@@H](CO)O1 ZINC000787315311 585906874 /nfs/dbraw/zinc/90/68/74/585906874.db2.gz ZYYAWHOYVHPDJG-BDAKNGLRSA-N 1 2 217.265 -0.559 20 0 BBADLO C[C@H]1C[N@@H+](CC2OCCO2)C[C@H](CO)O1 ZINC000787315312 585906791 /nfs/dbraw/zinc/90/67/91/585906791.db2.gz ZYYAWHOYVHPDJG-DTWKUNHWSA-N 1 2 217.265 -0.559 20 0 BBADLO C[C@H]1C[N@H+](CC2OCCO2)C[C@H](CO)O1 ZINC000787315312 585906790 /nfs/dbraw/zinc/90/67/90/585906790.db2.gz ZYYAWHOYVHPDJG-DTWKUNHWSA-N 1 2 217.265 -0.559 20 0 BBADLO C[C@H]1C[N@@H+](CC2OCCO2)C[C@@H](CO)O1 ZINC000787315313 585906782 /nfs/dbraw/zinc/90/67/82/585906782.db2.gz ZYYAWHOYVHPDJG-IUCAKERBSA-N 1 2 217.265 -0.559 20 0 BBADLO C[C@H]1C[N@H+](CC2OCCO2)C[C@@H](CO)O1 ZINC000787315313 585906781 /nfs/dbraw/zinc/90/67/81/585906781.db2.gz ZYYAWHOYVHPDJG-IUCAKERBSA-N 1 2 217.265 -0.559 20 0 BBADLO C[C@@H]1C[N@@H+](CC2OCCO2)C[C@H](CO)O1 ZINC000787315314 585906730 /nfs/dbraw/zinc/90/67/30/585906730.db2.gz ZYYAWHOYVHPDJG-RKDXNWHRSA-N 1 2 217.265 -0.559 20 0 BBADLO C[C@@H]1C[N@H+](CC2OCCO2)C[C@H](CO)O1 ZINC000787315314 585906729 /nfs/dbraw/zinc/90/67/29/585906729.db2.gz ZYYAWHOYVHPDJG-RKDXNWHRSA-N 1 2 217.265 -0.559 20 0 BBADLO CCN1CCC[N@@H+](CC2OCCO2)CC1=O ZINC000787319582 585907005 /nfs/dbraw/zinc/90/70/05/585907005.db2.gz WCZXTTGAADXYRP-UHFFFAOYSA-N 1 2 228.292 -0.087 20 0 BBADLO CCN1CCC[N@H+](CC2OCCO2)CC1=O ZINC000787319582 585907004 /nfs/dbraw/zinc/90/70/04/585907004.db2.gz WCZXTTGAADXYRP-UHFFFAOYSA-N 1 2 228.292 -0.087 20 0 BBADLO CCN1CCC[N@@H+](CC(=O)N(C)OC)CC1=O ZINC000787323957 585906812 /nfs/dbraw/zinc/90/68/12/585906812.db2.gz GVQSEUBLQYQCEV-UHFFFAOYSA-N 1 2 243.307 -0.440 20 0 BBADLO CCN1CCC[N@H+](CC(=O)N(C)OC)CC1=O ZINC000787323957 585906811 /nfs/dbraw/zinc/90/68/11/585906811.db2.gz GVQSEUBLQYQCEV-UHFFFAOYSA-N 1 2 243.307 -0.440 20 0 BBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(F)F)CC1 ZINC000787328058 585907205 /nfs/dbraw/zinc/90/72/05/585907205.db2.gz NITUDCSQQCNCBL-SSDOTTSWSA-N 1 2 222.235 -0.224 20 0 BBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(F)F)CC1 ZINC000787328059 585907160 /nfs/dbraw/zinc/90/71/60/585907160.db2.gz NITUDCSQQCNCBL-ZETCQYMHSA-N 1 2 222.235 -0.224 20 0 BBADLO O=C(NCCC[N@H+]1CCNC(=O)C1)C(F)F ZINC000787471603 585909922 /nfs/dbraw/zinc/90/99/22/585909922.db2.gz UROLMMKRYCXUPA-UHFFFAOYSA-N 1 2 235.234 -0.810 20 0 BBADLO O=C(NCCC[N@@H+]1CCNC(=O)C1)C(F)F ZINC000787471603 585909921 /nfs/dbraw/zinc/90/99/21/585909921.db2.gz UROLMMKRYCXUPA-UHFFFAOYSA-N 1 2 235.234 -0.810 20 0 BBADLO C[C@@H]1CN(C(=O)C(F)F)CC[N@H+]1CCO ZINC000787539827 585911260 /nfs/dbraw/zinc/91/12/60/585911260.db2.gz CIWUFXDAZYJEQD-SSDOTTSWSA-N 1 2 222.235 -0.224 20 0 BBADLO C[C@@H]1CN(C(=O)C(F)F)CC[N@@H+]1CCO ZINC000787539827 585911259 /nfs/dbraw/zinc/91/12/59/585911259.db2.gz CIWUFXDAZYJEQD-SSDOTTSWSA-N 1 2 222.235 -0.224 20 0 BBADLO C[C@H]1CN(C(=O)C(F)F)CC[N@H+]1CCO ZINC000787539830 585911324 /nfs/dbraw/zinc/91/13/24/585911324.db2.gz CIWUFXDAZYJEQD-ZETCQYMHSA-N 1 2 222.235 -0.224 20 0 BBADLO C[C@H]1CN(C(=O)C(F)F)CC[N@@H+]1CCO ZINC000787539830 585911323 /nfs/dbraw/zinc/91/13/23/585911323.db2.gz CIWUFXDAZYJEQD-ZETCQYMHSA-N 1 2 222.235 -0.224 20 0 BBADLO COC[C@@H]1C[N@@H+](CC[S@@](C)=O)CCO1 ZINC000787715147 585914327 /nfs/dbraw/zinc/91/43/27/585914327.db2.gz ADBVGOQLKXXKQQ-LKFCYVNXSA-N 1 2 221.322 -0.288 20 0 BBADLO COC[C@@H]1C[N@H+](CC[S@@](C)=O)CCO1 ZINC000787715147 585914326 /nfs/dbraw/zinc/91/43/26/585914326.db2.gz ADBVGOQLKXXKQQ-LKFCYVNXSA-N 1 2 221.322 -0.288 20 0 BBADLO COC[C@H]1C[N@@H+](CC[S@](C)=O)CCO1 ZINC000787715150 585914188 /nfs/dbraw/zinc/91/41/88/585914188.db2.gz ADBVGOQLKXXKQQ-OTYXRUKQSA-N 1 2 221.322 -0.288 20 0 BBADLO COC[C@H]1C[N@H+](CC[S@](C)=O)CCO1 ZINC000787715150 585914187 /nfs/dbraw/zinc/91/41/87/585914187.db2.gz ADBVGOQLKXXKQQ-OTYXRUKQSA-N 1 2 221.322 -0.288 20 0 BBADLO COC[C@@H]1C[N@@H+](CC[S@](C)=O)CCO1 ZINC000787715151 585914319 /nfs/dbraw/zinc/91/43/19/585914319.db2.gz ADBVGOQLKXXKQQ-XPTSAGLGSA-N 1 2 221.322 -0.288 20 0 BBADLO COC[C@@H]1C[N@H+](CC[S@](C)=O)CCO1 ZINC000787715151 585914318 /nfs/dbraw/zinc/91/43/18/585914318.db2.gz ADBVGOQLKXXKQQ-XPTSAGLGSA-N 1 2 221.322 -0.288 20 0 BBADLO COC[C@H]1C[N@@H+](CC[S@@](C)=O)CCO1 ZINC000787715152 585914197 /nfs/dbraw/zinc/91/41/97/585914197.db2.gz ADBVGOQLKXXKQQ-YMTOWFKASA-N 1 2 221.322 -0.288 20 0 BBADLO COC[C@H]1C[N@H+](CC[S@@](C)=O)CCO1 ZINC000787715152 585914196 /nfs/dbraw/zinc/91/41/96/585914196.db2.gz ADBVGOQLKXXKQQ-YMTOWFKASA-N 1 2 221.322 -0.288 20 0 BBADLO O=C(Cc1cc[nH]n1)OCC[NH+]1CCOCC1 ZINC000787782550 585916012 /nfs/dbraw/zinc/91/60/12/585916012.db2.gz HQXSVCSKTFNSKP-UHFFFAOYSA-N 1 2 239.275 -0.172 20 0 BBADLO Cn1nncc1NC(=O)NCCn1cc[nH+]c1 ZINC000787792555 585916372 /nfs/dbraw/zinc/91/63/72/585916372.db2.gz JREJJBCTYWEDAY-UHFFFAOYSA-N 1 2 235.251 -0.167 20 0 BBADLO Cn1nncc1NC(=O)NCc1[nH]cc[nH+]1 ZINC000787795108 585916347 /nfs/dbraw/zinc/91/63/47/585916347.db2.gz YRCQTTKZSMYLGC-UHFFFAOYSA-N 1 2 221.224 -0.140 20 0 BBADLO NC(CN1CCOCC1)=[NH+]OC[C@@H]1CCCO1 ZINC000787910096 585917371 /nfs/dbraw/zinc/91/73/71/585917371.db2.gz IFKLLWMTPALUPE-JTQLQIEISA-N 1 2 243.307 -0.004 20 0 BBADLO NC(CN1CCOCC1)=[NH+]OC[C@H]1CCCO1 ZINC000787910097 585917291 /nfs/dbraw/zinc/91/72/91/585917291.db2.gz IFKLLWMTPALUPE-SNVBAGLBSA-N 1 2 243.307 -0.004 20 0 BBADLO Nc1ccnc(C(=O)N2CC[NH+](C3CC3)CC2)n1 ZINC000787924378 584124908 /nfs/dbraw/zinc/12/49/08/584124908.db2.gz UDZHWAQVLFJRQF-UHFFFAOYSA-N 1 2 247.302 -0.191 20 0 BBADLO Nc1ccnc(C(=O)NCCCn2cc[nH+]c2)n1 ZINC000787925921 585917392 /nfs/dbraw/zinc/91/73/92/585917392.db2.gz NISDHQWDFFOKAN-UHFFFAOYSA-N 1 2 246.274 -0.094 20 0 BBADLO O=C1CC[C@H]([NH+]2CCN(C3CC3)CC2)C(=O)N1 ZINC000788011694 583360709 /nfs/dbraw/zinc/36/07/09/583360709.db2.gz CMCZWFABJNGUPI-JTQLQIEISA-N 1 2 237.303 -0.428 20 0 BBADLO O=C1CC[C@@H]([NH+]2CCN(C3CC3)CC2)C(=O)N1 ZINC000788011714 583360730 /nfs/dbraw/zinc/36/07/30/583360730.db2.gz CMCZWFABJNGUPI-SNVBAGLBSA-N 1 2 237.303 -0.428 20 0 BBADLO CON(C)C(=O)CC[N@H+]1CCNC(=O)[C@H]1C ZINC000788014869 583642720 /nfs/dbraw/zinc/64/27/20/583642720.db2.gz CMQTWHIBXARWOJ-MRVPVSSYSA-N 1 2 229.280 -0.783 20 0 BBADLO CON(C)C(=O)CC[N@@H+]1CCNC(=O)[C@H]1C ZINC000788014869 583642719 /nfs/dbraw/zinc/64/27/19/583642719.db2.gz CMQTWHIBXARWOJ-MRVPVSSYSA-N 1 2 229.280 -0.783 20 0 BBADLO CON(C)C(=O)CC[N@H+]1CCNC(=O)[C@@H]1C ZINC000788014885 583642740 /nfs/dbraw/zinc/64/27/40/583642740.db2.gz CMQTWHIBXARWOJ-QMMMGPOBSA-N 1 2 229.280 -0.783 20 0 BBADLO CON(C)C(=O)CC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000788014885 583642739 /nfs/dbraw/zinc/64/27/39/583642739.db2.gz CMQTWHIBXARWOJ-QMMMGPOBSA-N 1 2 229.280 -0.783 20 0 BBADLO CON(C)C(=O)CC[NH+]1CCS(=O)CC1 ZINC000788020380 583898044 /nfs/dbraw/zinc/89/80/44/583898044.db2.gz PGQZWFRAMSNSET-UHFFFAOYSA-N 1 2 234.321 -0.539 20 0 BBADLO C[C@H]1C(=O)NCCC[N@@H+]1CN1CCCC1=O ZINC000788046561 584938645 /nfs/dbraw/zinc/93/86/45/584938645.db2.gz HPMARAYAZXYUGC-VIFPVBQESA-N 1 2 225.292 -0.223 20 0 BBADLO C[C@H]1C(=O)NCCC[N@H+]1CN1CCCC1=O ZINC000788046561 584938644 /nfs/dbraw/zinc/93/86/44/584938644.db2.gz HPMARAYAZXYUGC-VIFPVBQESA-N 1 2 225.292 -0.223 20 0 BBADLO CC(=O)N1CC(C(=O)OCCn2cc[nH+]c2)C1 ZINC000788161822 585117086 /nfs/dbraw/zinc/11/70/86/585117086.db2.gz ILGAQOBOTJVEHN-UHFFFAOYSA-N 1 2 237.259 -0.095 20 0 BBADLO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)c1nccn1C ZINC000788197013 585919112 /nfs/dbraw/zinc/91/91/12/585919112.db2.gz YLYDQMVYFYMQQA-SECBINFHSA-N 1 2 238.291 -0.287 20 0 BBADLO CN(C(=O)[C@H]1C[N@H+](C)CCO1)c1nccn1C ZINC000788197013 585919111 /nfs/dbraw/zinc/91/91/11/585919111.db2.gz YLYDQMVYFYMQQA-SECBINFHSA-N 1 2 238.291 -0.287 20 0 BBADLO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)c1nccn1C ZINC000788197014 585919202 /nfs/dbraw/zinc/91/92/02/585919202.db2.gz YLYDQMVYFYMQQA-VIFPVBQESA-N 1 2 238.291 -0.287 20 0 BBADLO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)c1nccn1C ZINC000788197014 585919201 /nfs/dbraw/zinc/91/92/01/585919201.db2.gz YLYDQMVYFYMQQA-VIFPVBQESA-N 1 2 238.291 -0.287 20 0 BBADLO C[C@H]1C(=O)NCCC[N@@H+]1CC1OCCO1 ZINC000788276180 585920860 /nfs/dbraw/zinc/92/08/60/585920860.db2.gz SLVHVTUJPWIVSB-QMMMGPOBSA-N 1 2 214.265 -0.430 20 0 BBADLO C[C@H]1C(=O)NCCC[N@H+]1CC1OCCO1 ZINC000788276180 585920859 /nfs/dbraw/zinc/92/08/59/585920859.db2.gz SLVHVTUJPWIVSB-QMMMGPOBSA-N 1 2 214.265 -0.430 20 0 BBADLO CON(C)C(=O)C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000788276443 585920908 /nfs/dbraw/zinc/92/09/08/585920908.db2.gz YXPSKOYHSUUFNI-QMMMGPOBSA-N 1 2 229.280 -0.783 20 0 BBADLO CON(C)C(=O)C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000788276443 585920907 /nfs/dbraw/zinc/92/09/07/585920907.db2.gz YXPSKOYHSUUFNI-QMMMGPOBSA-N 1 2 229.280 -0.783 20 0 BBADLO CN(CC[NH+]1CCOCC1)C(=O)CC1COC1 ZINC000788302251 585921115 /nfs/dbraw/zinc/92/11/15/585921115.db2.gz XOMDGWBNHQTBQP-UHFFFAOYSA-N 1 2 242.319 -0.187 20 0 BBADLO CC(=O)N1CC(C(=O)OCc2c[nH+]cn2C)C1 ZINC000788366211 585922237 /nfs/dbraw/zinc/92/22/37/585922237.db2.gz TYYKPMMKUYLOMV-UHFFFAOYSA-N 1 2 237.259 -0.058 20 0 BBADLO COCCONC(=O)NCCn1cc[nH+]c1 ZINC000788384375 585922439 /nfs/dbraw/zinc/92/24/39/585922439.db2.gz RSGNBMSLKPGAQC-UHFFFAOYSA-N 1 2 228.252 -0.240 20 0 BBADLO Cn1nccc1CC[N@@H+](C)CCS(C)(=O)=O ZINC000788484566 585925332 /nfs/dbraw/zinc/92/53/32/585925332.db2.gz ZOGHIOZBLCKFFZ-UHFFFAOYSA-N 1 2 245.348 -0.061 20 0 BBADLO Cn1nccc1CC[N@H+](C)CCS(C)(=O)=O ZINC000788484566 585925331 /nfs/dbraw/zinc/92/53/31/585925331.db2.gz ZOGHIOZBLCKFFZ-UHFFFAOYSA-N 1 2 245.348 -0.061 20 0 BBADLO C[C@@H]1CN(C(=O)C(=O)NCC2CC2)CC[N@H+]1C ZINC000788513002 585926042 /nfs/dbraw/zinc/92/60/42/585926042.db2.gz WGMVZWQJJIOLBX-SECBINFHSA-N 1 2 239.319 -0.325 20 0 BBADLO C[C@@H]1CN(C(=O)C(=O)NCC2CC2)CC[N@@H+]1C ZINC000788513002 585926041 /nfs/dbraw/zinc/92/60/41/585926041.db2.gz WGMVZWQJJIOLBX-SECBINFHSA-N 1 2 239.319 -0.325 20 0 BBADLO C[C@H]1CN(C(=O)C(=O)NCC2CC2)CC[N@H+]1C ZINC000788513006 585926024 /nfs/dbraw/zinc/92/60/24/585926024.db2.gz WGMVZWQJJIOLBX-VIFPVBQESA-N 1 2 239.319 -0.325 20 0 BBADLO C[C@H]1CN(C(=O)C(=O)NCC2CC2)CC[N@@H+]1C ZINC000788513006 585926023 /nfs/dbraw/zinc/92/60/23/585926023.db2.gz WGMVZWQJJIOLBX-VIFPVBQESA-N 1 2 239.319 -0.325 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCC(=O)C1CC1 ZINC000788603876 585927696 /nfs/dbraw/zinc/92/76/96/585927696.db2.gz KGXRNNCIMXKKIO-NXEZZACHSA-N 1 2 241.287 -0.036 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCC(=O)C1CC1 ZINC000788603876 585927695 /nfs/dbraw/zinc/92/76/95/585927695.db2.gz KGXRNNCIMXKKIO-NXEZZACHSA-N 1 2 241.287 -0.036 20 0 BBADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCC(=O)C1CC1 ZINC000788603878 585927805 /nfs/dbraw/zinc/92/78/05/585927805.db2.gz KGXRNNCIMXKKIO-UWVGGRQHSA-N 1 2 241.287 -0.036 20 0 BBADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCC(=O)C1CC1 ZINC000788603878 585927804 /nfs/dbraw/zinc/92/78/04/585927804.db2.gz KGXRNNCIMXKKIO-UWVGGRQHSA-N 1 2 241.287 -0.036 20 0 BBADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCC(=O)C1CC1 ZINC000788603881 585927883 /nfs/dbraw/zinc/92/78/83/585927883.db2.gz KGXRNNCIMXKKIO-VHSXEESVSA-N 1 2 241.287 -0.036 20 0 BBADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCC(=O)C1CC1 ZINC000788603881 585927882 /nfs/dbraw/zinc/92/78/82/585927882.db2.gz KGXRNNCIMXKKIO-VHSXEESVSA-N 1 2 241.287 -0.036 20 0 BBADLO O=C(CC1OCCO1)NCC[NH+]1CCOCC1 ZINC000788625915 585927985 /nfs/dbraw/zinc/92/79/85/585927985.db2.gz ONOZENYXTFNJOX-UHFFFAOYSA-N 1 2 244.291 -0.802 20 0 BBADLO COCCONC(=O)NCc1[nH+]ccn1C ZINC000788969466 585932678 /nfs/dbraw/zinc/93/26/78/585932678.db2.gz WQXQLGGWHGSPQY-UHFFFAOYSA-N 1 2 228.252 -0.203 20 0 BBADLO CNC(=O)CC(=O)OCCn1cc[nH+]c1 ZINC000789091793 585934677 /nfs/dbraw/zinc/93/46/77/585934677.db2.gz FLWLQZPWAUWPRM-UHFFFAOYSA-N 1 2 211.221 -0.438 20 0 BBADLO CNC(=O)CC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000789096398 585935239 /nfs/dbraw/zinc/93/52/39/585935239.db2.gz FGZFLFFJAAUDEZ-SECBINFHSA-N 1 2 244.291 -0.614 20 0 BBADLO CNC(=O)CC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000789096399 585934665 /nfs/dbraw/zinc/93/46/65/585934665.db2.gz FGZFLFFJAAUDEZ-VIFPVBQESA-N 1 2 244.291 -0.614 20 0 BBADLO COC(=O)CN1CC[NH+](CC2OCCO2)CC1 ZINC000789406020 585942286 /nfs/dbraw/zinc/94/22/86/585942286.db2.gz UAXUXYNYTMHTDN-UHFFFAOYSA-N 1 2 244.291 -0.850 20 0 BBADLO Cn1ccc(C[NH2+]C[C@H]2CC(C(N)=O)=NO2)n1 ZINC000789559771 585943920 /nfs/dbraw/zinc/94/39/20/585943920.db2.gz CCACVPLXDDUXIX-MRVPVSSYSA-N 1 2 237.263 -0.860 20 0 BBADLO Cn1ccc(C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)n1 ZINC000789559772 585944147 /nfs/dbraw/zinc/94/41/47/585944147.db2.gz CCACVPLXDDUXIX-QMMMGPOBSA-N 1 2 237.263 -0.860 20 0 BBADLO NC(=[NH+]OCCOCCO)[C@H]1CCCO1 ZINC000789604445 585945859 /nfs/dbraw/zinc/94/58/59/585945859.db2.gz BUZXMKIQDGBJEG-MRVPVSSYSA-N 1 2 218.253 -0.327 20 0 BBADLO NC(=[NH+]OCCOCCO)[C@@H]1CCCO1 ZINC000789604449 585945907 /nfs/dbraw/zinc/94/59/07/585945907.db2.gz BUZXMKIQDGBJEG-QMMMGPOBSA-N 1 2 218.253 -0.327 20 0 BBADLO Cn1ncnc1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000789605953 585172965 /nfs/dbraw/zinc/17/29/65/585172965.db2.gz GIKOCQHRNXSQCB-SSDOTTSWSA-N 1 2 225.252 -0.007 20 0 BBADLO Cn1ncnc1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789605965 585172876 /nfs/dbraw/zinc/17/28/76/585172876.db2.gz GIKOCQHRNXSQCB-ZETCQYMHSA-N 1 2 225.252 -0.007 20 0 BBADLO CC[C@H](O[NH+]=C(N)[C@@H]1CCCO1)C(N)=O ZINC000789606093 585946098 /nfs/dbraw/zinc/94/60/98/585946098.db2.gz HESSPIFQURJEJQ-BQBZGAKWSA-N 1 2 215.253 -0.072 20 0 BBADLO CC[C@H](O[NH+]=C(N)[C@H]1CCCO1)C(N)=O ZINC000789606096 585946045 /nfs/dbraw/zinc/94/60/45/585946045.db2.gz HESSPIFQURJEJQ-NKWVEPMBSA-N 1 2 215.253 -0.072 20 0 BBADLO CC[C@@H](O[NH+]=C(N)[C@H]1CCCO1)C(N)=O ZINC000789606099 585946022 /nfs/dbraw/zinc/94/60/22/585946022.db2.gz HESSPIFQURJEJQ-RNFRBKRXSA-N 1 2 215.253 -0.072 20 0 BBADLO CC[C@@H](O[NH+]=C(N)[C@@H]1CCCO1)C(N)=O ZINC000789606102 585946106 /nfs/dbraw/zinc/94/61/06/585946106.db2.gz HESSPIFQURJEJQ-RQJHMYQMSA-N 1 2 215.253 -0.072 20 0 BBADLO NC(=[NH+]O[C@H]1CCNC1=O)[C@@H]1CCCO1 ZINC000789609412 585946369 /nfs/dbraw/zinc/94/63/69/585946369.db2.gz NJOUVRPFCKKEAF-BQBZGAKWSA-N 1 2 213.237 -0.448 20 0 BBADLO NC(=[NH+]O[C@@H]1CCNC1=O)[C@@H]1CCCO1 ZINC000789609420 585946352 /nfs/dbraw/zinc/94/63/52/585946352.db2.gz NJOUVRPFCKKEAF-NKWVEPMBSA-N 1 2 213.237 -0.448 20 0 BBADLO NC(=[NH+]O[C@@H]1CCNC1=O)[C@H]1CCCO1 ZINC000789609421 585946270 /nfs/dbraw/zinc/94/62/70/585946270.db2.gz NJOUVRPFCKKEAF-RNFRBKRXSA-N 1 2 213.237 -0.448 20 0 BBADLO NC(=[NH+]O[C@H]1CCNC1=O)[C@H]1CCCO1 ZINC000789609422 585946295 /nfs/dbraw/zinc/94/62/95/585946295.db2.gz NJOUVRPFCKKEAF-RQJHMYQMSA-N 1 2 213.237 -0.448 20 0 BBADLO CCNC(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000789613799 585946753 /nfs/dbraw/zinc/94/67/53/585946753.db2.gz VKLVNQWHOHOJGB-SSDOTTSWSA-N 1 2 215.253 -0.200 20 0 BBADLO CCNC(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789613800 585946921 /nfs/dbraw/zinc/94/69/21/585946921.db2.gz VKLVNQWHOHOJGB-ZETCQYMHSA-N 1 2 215.253 -0.200 20 0 BBADLO Cn1cc(CO[NH+]=C(N)[C@H]2CCCO2)nn1 ZINC000789613971 585946949 /nfs/dbraw/zinc/94/69/49/585946949.db2.gz ZKAGXFBVLAIKHS-MRVPVSSYSA-N 1 2 225.252 -0.007 20 0 BBADLO Cn1cc(CO[NH+]=C(N)[C@@H]2CCCO2)nn1 ZINC000789613973 585946894 /nfs/dbraw/zinc/94/68/94/585946894.db2.gz ZKAGXFBVLAIKHS-QMMMGPOBSA-N 1 2 225.252 -0.007 20 0 BBADLO CNC(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789614003 585946855 /nfs/dbraw/zinc/94/68/55/585946855.db2.gz ZVHGWTLUOINFOS-LURJTMIESA-N 1 2 201.226 -0.590 20 0 BBADLO CNC(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000789614004 585946832 /nfs/dbraw/zinc/94/68/32/585946832.db2.gz ZVHGWTLUOINFOS-ZCFIWIBFSA-N 1 2 201.226 -0.590 20 0 BBADLO NC(=[NH+]OCC(=O)NC1CC1)[C@H]1CCCO1 ZINC000789626031 585947285 /nfs/dbraw/zinc/94/72/85/585947285.db2.gz CPXRRSKULBTPSU-MRVPVSSYSA-N 1 2 227.264 -0.058 20 0 BBADLO NC(=[NH+]OCC(=O)NC1CC1)[C@@H]1CCCO1 ZINC000789626032 585947357 /nfs/dbraw/zinc/94/73/57/585947357.db2.gz CPXRRSKULBTPSU-QMMMGPOBSA-N 1 2 227.264 -0.058 20 0 BBADLO CN1CC[C@@H](O[NH+]=C(N)[C@H]2CCCO2)C1=O ZINC000789626781 585947327 /nfs/dbraw/zinc/94/73/27/585947327.db2.gz IQMRFARKQQYPOF-HTQZYQBOSA-N 1 2 227.264 -0.105 20 0 BBADLO CN1CC[C@@H](O[NH+]=C(N)[C@@H]2CCCO2)C1=O ZINC000789626793 585947300 /nfs/dbraw/zinc/94/73/00/585947300.db2.gz IQMRFARKQQYPOF-JGVFFNPUSA-N 1 2 227.264 -0.105 20 0 BBADLO CN1CC[C@H](O[NH+]=C(N)[C@H]2CCCO2)C1=O ZINC000789626795 585947296 /nfs/dbraw/zinc/94/72/96/585947296.db2.gz IQMRFARKQQYPOF-SFYZADRCSA-N 1 2 227.264 -0.105 20 0 BBADLO CN1CC[C@H](O[NH+]=C(N)[C@@H]2CCCO2)C1=O ZINC000789626796 585947373 /nfs/dbraw/zinc/94/73/73/585947373.db2.gz IQMRFARKQQYPOF-YUMQZZPRSA-N 1 2 227.264 -0.105 20 0 BBADLO CCOCC[NH+]1CC(OC(=O)CNC(C)=O)C1 ZINC000789775913 585949865 /nfs/dbraw/zinc/94/98/65/585949865.db2.gz VLWPNURBRATTTJ-UHFFFAOYSA-N 1 2 244.291 -0.614 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)NN1CC(=O)NC1=O ZINC000789843298 585951435 /nfs/dbraw/zinc/95/14/35/585951435.db2.gz GUXWATKAQKJEPV-UHFFFAOYSA-N 1 2 249.230 -0.600 20 0 BBADLO Cc1cc(NC(=O)NN2CC(=O)NC2=O)cc[nH+]1 ZINC000789844228 585951544 /nfs/dbraw/zinc/95/15/44/585951544.db2.gz LXQSJVXVURWFAJ-UHFFFAOYSA-N 1 2 249.230 -0.600 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)Nc2cn[nH]n2)C1 ZINC000789926199 585953443 /nfs/dbraw/zinc/95/34/43/585953443.db2.gz CLEVILYWUZMTBS-LURJTMIESA-N 1 2 211.225 -0.926 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)Nc2cn[nH]n2)C1 ZINC000789926199 585953442 /nfs/dbraw/zinc/95/34/42/585953442.db2.gz CLEVILYWUZMTBS-LURJTMIESA-N 1 2 211.225 -0.926 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)Nc2c[nH]nn2)C1 ZINC000789926199 585953441 /nfs/dbraw/zinc/95/34/41/585953441.db2.gz CLEVILYWUZMTBS-LURJTMIESA-N 1 2 211.225 -0.926 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)Nc2c[nH]nn2)C1 ZINC000789926199 585953440 /nfs/dbraw/zinc/95/34/40/585953440.db2.gz CLEVILYWUZMTBS-LURJTMIESA-N 1 2 211.225 -0.926 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)Nc2cn[nH]n2)C1 ZINC000789926200 585953388 /nfs/dbraw/zinc/95/33/88/585953388.db2.gz CLEVILYWUZMTBS-ZCFIWIBFSA-N 1 2 211.225 -0.926 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cn[nH]n2)C1 ZINC000789926200 585953387 /nfs/dbraw/zinc/95/33/87/585953387.db2.gz CLEVILYWUZMTBS-ZCFIWIBFSA-N 1 2 211.225 -0.926 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)Nc2c[nH]nn2)C1 ZINC000789926200 585953386 /nfs/dbraw/zinc/95/33/86/585953386.db2.gz CLEVILYWUZMTBS-ZCFIWIBFSA-N 1 2 211.225 -0.926 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2c[nH]nn2)C1 ZINC000789926200 585953385 /nfs/dbraw/zinc/95/33/85/585953385.db2.gz CLEVILYWUZMTBS-ZCFIWIBFSA-N 1 2 211.225 -0.926 20 0 BBADLO Cc1nn[nH]c1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000789959802 585954776 /nfs/dbraw/zinc/95/47/76/585954776.db2.gz HNPIUHQJNCTFCF-SSDOTTSWSA-N 1 2 223.280 -0.111 20 0 BBADLO Cc1nn[nH]c1C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000789959802 585954775 /nfs/dbraw/zinc/95/47/75/585954775.db2.gz HNPIUHQJNCTFCF-SSDOTTSWSA-N 1 2 223.280 -0.111 20 0 BBADLO Cc1nn[nH]c1C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000789959817 585954804 /nfs/dbraw/zinc/95/48/04/585954804.db2.gz HNPIUHQJNCTFCF-ZETCQYMHSA-N 1 2 223.280 -0.111 20 0 BBADLO Cc1nn[nH]c1C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000789959817 585954803 /nfs/dbraw/zinc/95/48/03/585954803.db2.gz HNPIUHQJNCTFCF-ZETCQYMHSA-N 1 2 223.280 -0.111 20 0 BBADLO Cc1c(C[N@@H+](C)CCS(N)(=O)=O)cnn1C ZINC000790444568 585964923 /nfs/dbraw/zinc/96/49/23/585964923.db2.gz IYVZEBGVQIGARQ-UHFFFAOYSA-N 1 2 246.336 -0.551 20 0 BBADLO Cc1c(C[N@H+](C)CCS(N)(=O)=O)cnn1C ZINC000790444568 585964922 /nfs/dbraw/zinc/96/49/22/585964922.db2.gz IYVZEBGVQIGARQ-UHFFFAOYSA-N 1 2 246.336 -0.551 20 0 BBADLO COCCONC(=O)Cc1c[nH+]cn1C ZINC000790448649 585964895 /nfs/dbraw/zinc/96/48/95/585964895.db2.gz ALOGHGCHMPFQSN-UHFFFAOYSA-N 1 2 213.237 -0.343 20 0 BBADLO COC/C=C\C(=O)NCC[NH+]1CCOCC1 ZINC000791294166 585976367 /nfs/dbraw/zinc/97/63/67/585976367.db2.gz HLKGPBOTXJEDRQ-IHWYPQMZSA-N 1 2 228.292 -0.363 20 0 BBADLO COC/C=C/C(=O)NCC[NH+]1CCOCC1 ZINC000791294167 585976325 /nfs/dbraw/zinc/97/63/25/585976325.db2.gz HLKGPBOTXJEDRQ-NSCUHMNNSA-N 1 2 228.292 -0.363 20 0 BBADLO COC/C=C\C(=O)N(C)CC[NH+]1CCOCC1 ZINC000791347721 585978256 /nfs/dbraw/zinc/97/82/56/585978256.db2.gz MWGRHVJIZRYNAO-ARJAWSKDSA-N 1 2 242.319 -0.020 20 0 BBADLO COC/C=C/C(=O)N(C)CC[NH+]1CCOCC1 ZINC000791347722 585978202 /nfs/dbraw/zinc/97/82/02/585978202.db2.gz MWGRHVJIZRYNAO-ONEGZZNKSA-N 1 2 242.319 -0.020 20 0 BBADLO Nc1cc(COC(=O)C2=NNC(=O)CC2)cc[nH+]1 ZINC000791455095 585981889 /nfs/dbraw/zinc/98/18/89/585981889.db2.gz KCCRQALINSYXAQ-UHFFFAOYSA-N 1 2 248.242 -0.027 20 0 BBADLO C[C@@H]1C[N@@H+](CCS(N)(=O)=O)C[C@H](C2CC2)O1 ZINC000791554517 585983712 /nfs/dbraw/zinc/98/37/12/585983712.db2.gz SKUQVEQTJCFKJX-PSASIEDQSA-N 1 2 248.348 -0.226 20 0 BBADLO C[C@@H]1C[N@H+](CCS(N)(=O)=O)C[C@H](C2CC2)O1 ZINC000791554517 585983711 /nfs/dbraw/zinc/98/37/11/585983711.db2.gz SKUQVEQTJCFKJX-PSASIEDQSA-N 1 2 248.348 -0.226 20 0 BBADLO C[C@@H]1C[N@@H+](CCS(N)(=O)=O)C[C@@H](C2CC2)O1 ZINC000791554519 585983682 /nfs/dbraw/zinc/98/36/82/585983682.db2.gz SKUQVEQTJCFKJX-SCZZXKLOSA-N 1 2 248.348 -0.226 20 0 BBADLO C[C@@H]1C[N@H+](CCS(N)(=O)=O)C[C@@H](C2CC2)O1 ZINC000791554519 585983681 /nfs/dbraw/zinc/98/36/81/585983681.db2.gz SKUQVEQTJCFKJX-SCZZXKLOSA-N 1 2 248.348 -0.226 20 0 BBADLO C[C@H]1C[N@@H+](CCS(N)(=O)=O)C[C@H](C2CC2)O1 ZINC000791554520 585983182 /nfs/dbraw/zinc/98/31/82/585983182.db2.gz SKUQVEQTJCFKJX-WCBMZHEXSA-N 1 2 248.348 -0.226 20 0 BBADLO C[C@H]1C[N@H+](CCS(N)(=O)=O)C[C@H](C2CC2)O1 ZINC000791554520 585983181 /nfs/dbraw/zinc/98/31/81/585983181.db2.gz SKUQVEQTJCFKJX-WCBMZHEXSA-N 1 2 248.348 -0.226 20 0 BBADLO C[C@H]1C[N@@H+](CCS(N)(=O)=O)C[C@@H](C2CC2)O1 ZINC000791554523 585983079 /nfs/dbraw/zinc/98/30/79/585983079.db2.gz SKUQVEQTJCFKJX-WPRPVWTQSA-N 1 2 248.348 -0.226 20 0 BBADLO C[C@H]1C[N@H+](CCS(N)(=O)=O)C[C@@H](C2CC2)O1 ZINC000791554523 585983078 /nfs/dbraw/zinc/98/30/78/585983078.db2.gz SKUQVEQTJCFKJX-WPRPVWTQSA-N 1 2 248.348 -0.226 20 0 BBADLO Cn1nccc1C[N@@H+](C)CCS(N)(=O)=O ZINC000791652197 585985834 /nfs/dbraw/zinc/98/58/34/585985834.db2.gz BVVJIDXBLJVRDN-UHFFFAOYSA-N 1 2 232.309 -0.860 20 0 BBADLO Cn1nccc1C[N@H+](C)CCS(N)(=O)=O ZINC000791652197 585985833 /nfs/dbraw/zinc/98/58/33/585985833.db2.gz BVVJIDXBLJVRDN-UHFFFAOYSA-N 1 2 232.309 -0.860 20 0 BBADLO Nc1nonc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791778669 585987829 /nfs/dbraw/zinc/98/78/29/585987829.db2.gz QCNARRJZBZFSPI-UHFFFAOYSA-N 1 2 235.203 -0.014 20 0 BBADLO NC(=O)C1(C(=O)OCc2cc[nH+]c(N)c2)CC1 ZINC000791884139 585990260 /nfs/dbraw/zinc/99/02/60/585990260.db2.gz LMKLNEFQGSINGK-UHFFFAOYSA-N 1 2 235.243 -0.028 20 0 BBADLO Nc1cc(COC(=O)[C@H]2CNC(=O)N2)cc[nH+]1 ZINC000791884462 585990264 /nfs/dbraw/zinc/99/02/64/585990264.db2.gz BHDUKYCGWXOZMW-SSDOTTSWSA-N 1 2 236.231 -0.612 20 0 BBADLO Nc1cc(COC(=O)[C@@H]2CNC(=O)N2)cc[nH+]1 ZINC000791884465 585990091 /nfs/dbraw/zinc/99/00/91/585990091.db2.gz BHDUKYCGWXOZMW-ZETCQYMHSA-N 1 2 236.231 -0.612 20 0 BBADLO CC(CO)(CO)C(=O)OCc1cc[nH+]c(N)c1 ZINC000792071316 585995448 /nfs/dbraw/zinc/99/54/48/585995448.db2.gz LGQOLNFHXJJPKW-UHFFFAOYSA-N 1 2 240.259 -0.302 20 0 BBADLO Cn1ncc(C(=O)OCCn2cc[nH+]c2)n1 ZINC000792544935 586002624 /nfs/dbraw/zinc/00/26/24/586002624.db2.gz RDEQPGFYCIGUIJ-UHFFFAOYSA-N 1 2 221.220 -0.131 20 0 BBADLO CCON(C)C(=O)NCC[NH+]1CCOCC1 ZINC000792572096 586002679 /nfs/dbraw/zinc/00/26/79/586002679.db2.gz PIZDQNMXUXSNED-UHFFFAOYSA-N 1 2 231.296 -0.089 20 0 BBADLO O=C(CC1OCCO1)NCCn1cc[nH+]c1 ZINC000793044170 586008939 /nfs/dbraw/zinc/00/89/39/586008939.db2.gz FNFZQTYQUVMGPH-UHFFFAOYSA-N 1 2 225.248 -0.238 20 0 BBADLO Cn1c[nH+]cc1COC(=O)c1cnn(C)n1 ZINC000793164411 586012535 /nfs/dbraw/zinc/01/25/35/586012535.db2.gz XAHAOFUEYLOHNI-UHFFFAOYSA-N 1 2 221.220 -0.094 20 0 BBADLO Cn1c[nH+]cc1CCOC(=O)c1cnnn1C ZINC000793242138 644802126 /nfs/dbraw/zinc/80/21/26/644802126.db2.gz MYVSJNGMUWOJHS-UHFFFAOYSA-N 1 2 235.247 -0.052 20 0 BBADLO CC(=O)N(C)CC(=O)OCCc1c[nH+]cn1C ZINC000793249860 586015187 /nfs/dbraw/zinc/01/51/87/586015187.db2.gz DHCFONXBVQPJBS-UHFFFAOYSA-N 1 2 239.275 -0.016 20 0 BBADLO Cn1c[nH+]cc1CCOC(=O)c1cnn(C)n1 ZINC000793250726 586015089 /nfs/dbraw/zinc/01/50/89/586015089.db2.gz KSGWKDOOIWTBLI-UHFFFAOYSA-N 1 2 235.247 -0.052 20 0 BBADLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1COCCO1 ZINC000793252058 586014949 /nfs/dbraw/zinc/01/49/49/586014949.db2.gz DLKAYBLAZNUMNJ-JTQLQIEISA-N 1 2 240.259 -0.079 20 0 BBADLO Cn1c[nH+]cc1CCOC(=O)[C@H]1COCCO1 ZINC000793252061 583579434 /nfs/dbraw/zinc/57/94/34/583579434.db2.gz DLKAYBLAZNUMNJ-SNVBAGLBSA-N 1 2 240.259 -0.079 20 0 BBADLO Cc1cn2c([nH+]1)CN(C(=O)c1cnn(C)n1)CC2 ZINC000793461948 586020683 /nfs/dbraw/zinc/02/06/83/586020683.db2.gz SJROCVPBGHCRKQ-UHFFFAOYSA-N 1 2 246.274 -0.024 20 0 BBADLO CCN(CC(=O)NC)C(=O)CCc1c[nH]c[nH+]1 ZINC000793495313 586021161 /nfs/dbraw/zinc/02/11/61/586021161.db2.gz ALOICFXDOZREDC-UHFFFAOYSA-N 1 2 238.291 -0.063 20 0 BBADLO CCN(CC(=O)NC)C(=O)CCc1c[nH+]c[nH]1 ZINC000793495313 586021160 /nfs/dbraw/zinc/02/11/60/586021160.db2.gz ALOICFXDOZREDC-UHFFFAOYSA-N 1 2 238.291 -0.063 20 0 BBADLO O=C(CO)N1CC[NH+](Cc2ccoc2)CC1 ZINC000793590997 586023805 /nfs/dbraw/zinc/02/38/05/586023805.db2.gz FEKIKPPQFLYECQ-UHFFFAOYSA-N 1 2 224.260 -0.084 20 0 BBADLO COC(=O)[C@H]1[C@@H]2C[N@H+](CN3CCCC3=O)C[C@@H]21 ZINC000793657829 586024708 /nfs/dbraw/zinc/02/47/08/586024708.db2.gz YDXOBAVESWEAEK-JZYVYDRUSA-N 1 2 238.287 -0.083 20 0 BBADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](CN3CCCC3=O)C[C@@H]21 ZINC000793657829 586024707 /nfs/dbraw/zinc/02/47/07/586024707.db2.gz YDXOBAVESWEAEK-JZYVYDRUSA-N 1 2 238.287 -0.083 20 0 BBADLO CC[C@@H]1CC[N@H+]1CN1C(=O)C(=O)N(C)C1=O ZINC000793820556 586027599 /nfs/dbraw/zinc/02/75/99/586027599.db2.gz MBCGAWJADHPKFX-SSDOTTSWSA-N 1 2 225.248 -0.151 20 0 BBADLO CC[C@@H]1CC[N@@H+]1CN1C(=O)C(=O)N(C)C1=O ZINC000793820556 586027598 /nfs/dbraw/zinc/02/75/98/586027598.db2.gz MBCGAWJADHPKFX-SSDOTTSWSA-N 1 2 225.248 -0.151 20 0 BBADLO CC[C@H]1CC[N@H+]1CN1C(=O)C(=O)N(C)C1=O ZINC000793820567 586027529 /nfs/dbraw/zinc/02/75/29/586027529.db2.gz MBCGAWJADHPKFX-ZETCQYMHSA-N 1 2 225.248 -0.151 20 0 BBADLO CC[C@H]1CC[N@@H+]1CN1C(=O)C(=O)N(C)C1=O ZINC000793820567 586027528 /nfs/dbraw/zinc/02/75/28/586027528.db2.gz MBCGAWJADHPKFX-ZETCQYMHSA-N 1 2 225.248 -0.151 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)N[C@]2(C)CCOC2=O)C1 ZINC000794082326 586031670 /nfs/dbraw/zinc/03/16/70/586031670.db2.gz FFIULXSTPFHOIG-GZMMTYOYSA-N 1 2 242.275 -0.861 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)N[C@]2(C)CCOC2=O)C1 ZINC000794082326 586031669 /nfs/dbraw/zinc/03/16/69/586031669.db2.gz FFIULXSTPFHOIG-GZMMTYOYSA-N 1 2 242.275 -0.861 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CCOC2=O)C1 ZINC000794082327 586031328 /nfs/dbraw/zinc/03/13/28/586031328.db2.gz FFIULXSTPFHOIG-KCJUWKMLSA-N 1 2 242.275 -0.861 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CCOC2=O)C1 ZINC000794082327 586031327 /nfs/dbraw/zinc/03/13/27/586031327.db2.gz FFIULXSTPFHOIG-KCJUWKMLSA-N 1 2 242.275 -0.861 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)N[C@@]2(C)CCOC2=O)C1 ZINC000794082328 586031393 /nfs/dbraw/zinc/03/13/93/586031393.db2.gz FFIULXSTPFHOIG-KWQFWETISA-N 1 2 242.275 -0.861 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@]2(C)CCOC2=O)C1 ZINC000794082328 586031392 /nfs/dbraw/zinc/03/13/92/586031392.db2.gz FFIULXSTPFHOIG-KWQFWETISA-N 1 2 242.275 -0.861 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)N[C@]2(C)CCOC2=O)C1 ZINC000794082329 586031716 /nfs/dbraw/zinc/03/17/16/586031716.db2.gz FFIULXSTPFHOIG-LDYMZIIASA-N 1 2 242.275 -0.861 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@]2(C)CCOC2=O)C1 ZINC000794082329 586031715 /nfs/dbraw/zinc/03/17/15/586031715.db2.gz FFIULXSTPFHOIG-LDYMZIIASA-N 1 2 242.275 -0.861 20 0 BBADLO CNC(=O)C[N@@H+](C)Cc1ccnc(N(C)C)n1 ZINC000794458020 586040014 /nfs/dbraw/zinc/04/00/14/586040014.db2.gz LXEKNTCPGACSQZ-UHFFFAOYSA-N 1 2 237.307 -0.280 20 0 BBADLO CNC(=O)C[N@H+](C)Cc1ccnc(N(C)C)n1 ZINC000794458020 586040013 /nfs/dbraw/zinc/04/00/13/586040013.db2.gz LXEKNTCPGACSQZ-UHFFFAOYSA-N 1 2 237.307 -0.280 20 0 BBADLO CNC(=O)C[N@@H+](CCCO)CC(OC)OC ZINC000794481399 586040440 /nfs/dbraw/zinc/04/04/40/586040440.db2.gz JXSYNZGWUXIVBX-UHFFFAOYSA-N 1 2 234.296 -0.964 20 0 BBADLO CNC(=O)C[N@H+](CCCO)CC(OC)OC ZINC000794481399 586040439 /nfs/dbraw/zinc/04/04/39/586040439.db2.gz JXSYNZGWUXIVBX-UHFFFAOYSA-N 1 2 234.296 -0.964 20 0 BBADLO Cc1nnc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)[nH]1 ZINC000794518106 586041453 /nfs/dbraw/zinc/04/14/53/586041453.db2.gz ZNCKTZRTYJTWBK-SCZZXKLOSA-N 1 2 208.265 -0.073 20 0 BBADLO Cc1nnc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)[nH]1 ZINC000794518106 586041452 /nfs/dbraw/zinc/04/14/52/586041452.db2.gz ZNCKTZRTYJTWBK-SCZZXKLOSA-N 1 2 208.265 -0.073 20 0 BBADLO Cc1nnc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)[nH]1 ZINC000794518107 586041228 /nfs/dbraw/zinc/04/12/28/586041228.db2.gz ZNCKTZRTYJTWBK-WCBMZHEXSA-N 1 2 208.265 -0.073 20 0 BBADLO Cc1nnc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)[nH]1 ZINC000794518107 586041227 /nfs/dbraw/zinc/04/12/27/586041227.db2.gz ZNCKTZRTYJTWBK-WCBMZHEXSA-N 1 2 208.265 -0.073 20 0 BBADLO COC(=O)[C@H]([NH2+]CCN1CCOC1=O)C1CC1 ZINC000794567753 586043990 /nfs/dbraw/zinc/04/39/90/586043990.db2.gz MZMZUMMIIVUFJE-SECBINFHSA-N 1 2 242.275 -0.020 20 0 BBADLO COC(=O)[C@@H]([NH2+]CCN1CCOC1=O)C1CC1 ZINC000794567754 586044077 /nfs/dbraw/zinc/04/40/77/586044077.db2.gz MZMZUMMIIVUFJE-VIFPVBQESA-N 1 2 242.275 -0.020 20 0 BBADLO Cn1cnn(C[N@H+]2CCC[C@@](C)(O)CC2)c1=O ZINC000794671888 586046512 /nfs/dbraw/zinc/04/65/12/586046512.db2.gz IZMNFAOXMULPMV-LLVKDONJSA-N 1 2 240.307 -0.224 20 0 BBADLO Cn1cnn(C[N@@H+]2CCC[C@@](C)(O)CC2)c1=O ZINC000794671888 586046511 /nfs/dbraw/zinc/04/65/11/586046511.db2.gz IZMNFAOXMULPMV-LLVKDONJSA-N 1 2 240.307 -0.224 20 0 BBADLO Cn1cnn(C[N@H+]2CCC[C@](C)(O)CC2)c1=O ZINC000794671890 586046373 /nfs/dbraw/zinc/04/63/73/586046373.db2.gz IZMNFAOXMULPMV-NSHDSACASA-N 1 2 240.307 -0.224 20 0 BBADLO Cn1cnn(C[N@@H+]2CCC[C@](C)(O)CC2)c1=O ZINC000794671890 586046372 /nfs/dbraw/zinc/04/63/72/586046372.db2.gz IZMNFAOXMULPMV-NSHDSACASA-N 1 2 240.307 -0.224 20 0 BBADLO CC(=O)NC(C)(C)C(N)=[NH+]OCC1OCCO1 ZINC000794721655 586047481 /nfs/dbraw/zinc/04/74/81/586047481.db2.gz UYIVGKKVHRWEIV-UHFFFAOYSA-N 1 2 245.279 -0.228 20 0 BBADLO C[N@@H+](CCF)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000794800734 586049008 /nfs/dbraw/zinc/04/90/08/586049008.db2.gz BAMNZZYAMZLLII-MRVPVSSYSA-N 1 2 224.301 -0.078 20 0 BBADLO C[N@H+](CCF)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000794800734 586049007 /nfs/dbraw/zinc/04/90/07/586049007.db2.gz BAMNZZYAMZLLII-MRVPVSSYSA-N 1 2 224.301 -0.078 20 0 BBADLO C[N@@H+](CCF)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000794800737 586048943 /nfs/dbraw/zinc/04/89/43/586048943.db2.gz BAMNZZYAMZLLII-QMMMGPOBSA-N 1 2 224.301 -0.078 20 0 BBADLO C[N@H+](CCF)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000794800737 586048941 /nfs/dbraw/zinc/04/89/41/586048941.db2.gz BAMNZZYAMZLLII-QMMMGPOBSA-N 1 2 224.301 -0.078 20 0 BBADLO CN1C[C@H]2CC[N@@H+](CC3OCCO3)[C@@H]2C1 ZINC000794930216 586056254 /nfs/dbraw/zinc/05/62/54/586056254.db2.gz QYLKXJWJPMSDDP-NXEZZACHSA-N 1 2 212.293 -0.005 20 0 BBADLO CN1C[C@H]2CC[N@H+](CC3OCCO3)[C@@H]2C1 ZINC000794930216 586056252 /nfs/dbraw/zinc/05/62/52/586056252.db2.gz QYLKXJWJPMSDDP-NXEZZACHSA-N 1 2 212.293 -0.005 20 0 BBADLO CN1C[C@H]2[C@@H](CC[N@H+]2CC2OCCO2)C1 ZINC000794930218 586056175 /nfs/dbraw/zinc/05/61/75/586056175.db2.gz QYLKXJWJPMSDDP-UWVGGRQHSA-N 1 2 212.293 -0.005 20 0 BBADLO CN1C[C@H]2[C@@H](CC[N@@H+]2CC2OCCO2)C1 ZINC000794930218 586056174 /nfs/dbraw/zinc/05/61/74/586056174.db2.gz QYLKXJWJPMSDDP-UWVGGRQHSA-N 1 2 212.293 -0.005 20 0 BBADLO CN1C[C@@H]2CC[N@@H+](CC3OCCO3)[C@@H]2C1 ZINC000794930220 586056316 /nfs/dbraw/zinc/05/63/16/586056316.db2.gz QYLKXJWJPMSDDP-VHSXEESVSA-N 1 2 212.293 -0.005 20 0 BBADLO CN1C[C@@H]2CC[N@H+](CC3OCCO3)[C@@H]2C1 ZINC000794930220 586056315 /nfs/dbraw/zinc/05/63/15/586056315.db2.gz QYLKXJWJPMSDDP-VHSXEESVSA-N 1 2 212.293 -0.005 20 0 BBADLO CN1C[C@H]2CC[N@@H+](CC3OCCO3)[C@H]2C1 ZINC000794930221 586056378 /nfs/dbraw/zinc/05/63/78/586056378.db2.gz QYLKXJWJPMSDDP-ZJUUUORDSA-N 1 2 212.293 -0.005 20 0 BBADLO CN1C[C@H]2CC[N@H+](CC3OCCO3)[C@H]2C1 ZINC000794930221 586056376 /nfs/dbraw/zinc/05/63/76/586056376.db2.gz QYLKXJWJPMSDDP-ZJUUUORDSA-N 1 2 212.293 -0.005 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794954455 586057860 /nfs/dbraw/zinc/05/78/60/586057860.db2.gz UVSSFOKSMJCIDK-HXFLIBJXSA-N 1 2 227.260 -0.101 20 0 BBADLO COC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794954455 586057857 /nfs/dbraw/zinc/05/78/57/586057857.db2.gz UVSSFOKSMJCIDK-HXFLIBJXSA-N 1 2 227.260 -0.101 20 0 BBADLO COC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794954458 586057730 /nfs/dbraw/zinc/05/77/30/586057730.db2.gz UVSSFOKSMJCIDK-RBXMUDONSA-N 1 2 227.260 -0.101 20 0 BBADLO COC(=O)[C@H](C)[N@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794954458 586057729 /nfs/dbraw/zinc/05/77/29/586057729.db2.gz UVSSFOKSMJCIDK-RBXMUDONSA-N 1 2 227.260 -0.101 20 0 BBADLO COC(=O)[C@H]1[C@@H]2C[N@H+](CCS(C)(=O)=O)C[C@@H]21 ZINC000794964482 586058595 /nfs/dbraw/zinc/05/85/95/586058595.db2.gz RCFOVJIGULDPPR-BRPSZJMVSA-N 1 2 247.316 -0.618 20 0 BBADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@H]21 ZINC000794964482 586058593 /nfs/dbraw/zinc/05/85/93/586058593.db2.gz RCFOVJIGULDPPR-BRPSZJMVSA-N 1 2 247.316 -0.618 20 0 BBADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ncnn3C)C[C@@H]21 ZINC000794966885 586058926 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20 0 BBADLO OCC[C@H]1COCCN1Cc1c[nH+]c[nH]1 ZINC000796448224 586103542 /nfs/dbraw/zinc/10/35/42/586103542.db2.gz GEIIBDANQGWQSM-JTQLQIEISA-N 1 2 211.265 -0.007 20 0 BBADLO OCC[C@@H]1COCCN1Cc1c[nH]c[nH+]1 ZINC000796448226 586103149 /nfs/dbraw/zinc/10/31/49/586103149.db2.gz GEIIBDANQGWQSM-SNVBAGLBSA-N 1 2 211.265 -0.007 20 0 BBADLO OCC[C@@H]1COCCN1Cc1c[nH+]c[nH]1 ZINC000796448226 586103148 /nfs/dbraw/zinc/10/31/48/586103148.db2.gz GEIIBDANQGWQSM-SNVBAGLBSA-N 1 2 211.265 -0.007 20 0 BBADLO NC(=O)NC(=O)C[NH+]1CCC(F)(F)CC1 ZINC000796553008 586106917 /nfs/dbraw/zinc/10/69/17/586106917.db2.gz WPHDIBDNXPCAOY-UHFFFAOYSA-N 1 2 221.207 -0.088 20 0 BBADLO CCCS(=O)(=O)CC[N@@H+](C)CCC(N)=O ZINC000796595703 586108317 /nfs/dbraw/zinc/10/83/17/586108317.db2.gz JWSHHZDFSMSWOH-UHFFFAOYSA-N 1 2 236.337 -0.382 20 0 BBADLO CCCS(=O)(=O)CC[N@H+](C)CCC(N)=O ZINC000796595703 586108316 /nfs/dbraw/zinc/10/83/16/586108316.db2.gz JWSHHZDFSMSWOH-UHFFFAOYSA-N 1 2 236.337 -0.382 20 0 BBADLO CC(C)COC(=O)C[N@@H+](C)CCC(N)=O ZINC000796595801 586108314 /nfs/dbraw/zinc/10/83/14/586108314.db2.gz LXUMQSUMCMVYST-UHFFFAOYSA-N 1 2 216.281 -0.007 20 0 BBADLO CC(C)COC(=O)C[N@H+](C)CCC(N)=O ZINC000796595801 586108313 /nfs/dbraw/zinc/10/83/13/586108313.db2.gz LXUMQSUMCMVYST-UHFFFAOYSA-N 1 2 216.281 -0.007 20 0 BBADLO CNC(=O)NCCC(=O)OCc1c[nH+]cn1C ZINC000796942101 586117733 /nfs/dbraw/zinc/11/77/33/586117733.db2.gz HRCZOTLOZJYWAR-UHFFFAOYSA-N 1 2 240.263 -0.218 20 0 BBADLO FCCNC(=S)NCC[NH+]1CCOCC1 ZINC000797793263 586131481 /nfs/dbraw/zinc/13/14/81/586131481.db2.gz OLCJPVJVBBNHCK-UHFFFAOYSA-N 1 2 235.328 -0.248 20 0 BBADLO O=C(OCCCn1cc[nH+]c1)C1(CO)COC1 ZINC000797878485 586133612 /nfs/dbraw/zinc/13/36/12/586133612.db2.gz XXJRWNPKKXYRIS-UHFFFAOYSA-N 1 2 240.259 -0.175 20 0 BBADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCF)CCO1 ZINC000798108387 586137248 /nfs/dbraw/zinc/13/72/48/586137248.db2.gz UOFXYCRJDZXYMC-SECBINFHSA-N 1 2 233.287 -0.024 20 0 BBADLO C[C@@H]1C[N@H+](CCNC(=O)NCCF)CCO1 ZINC000798108387 586137247 /nfs/dbraw/zinc/13/72/47/586137247.db2.gz UOFXYCRJDZXYMC-SECBINFHSA-N 1 2 233.287 -0.024 20 0 BBADLO C[C@H]1C[N@@H+](CCNC(=O)NCCF)CCO1 ZINC000798108388 586137307 /nfs/dbraw/zinc/13/73/07/586137307.db2.gz UOFXYCRJDZXYMC-VIFPVBQESA-N 1 2 233.287 -0.024 20 0 BBADLO C[C@H]1C[N@H+](CCNC(=O)NCCF)CCO1 ZINC000798108388 586137306 /nfs/dbraw/zinc/13/73/06/586137306.db2.gz UOFXYCRJDZXYMC-VIFPVBQESA-N 1 2 233.287 -0.024 20 0 BBADLO CCCC[N@@H+](CC[S@](C)=O)CC(N)=O ZINC000798193018 586139144 /nfs/dbraw/zinc/13/91/44/586139144.db2.gz HHAWPBBXTJMVOD-AWEZNQCLSA-N 1 2 220.338 -0.048 20 0 BBADLO CCCC[N@H+](CC[S@](C)=O)CC(N)=O ZINC000798193018 586139143 /nfs/dbraw/zinc/13/91/43/586139143.db2.gz HHAWPBBXTJMVOD-AWEZNQCLSA-N 1 2 220.338 -0.048 20 0 BBADLO CCCC[N@@H+](CC[S@@](C)=O)CC(N)=O ZINC000798193038 586139106 /nfs/dbraw/zinc/13/91/06/586139106.db2.gz HHAWPBBXTJMVOD-CQSZACIVSA-N 1 2 220.338 -0.048 20 0 BBADLO CCCC[N@H+](CC[S@@](C)=O)CC(N)=O ZINC000798193038 586139105 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/nfs/dbraw/zinc/13/93/53/586139353.db2.gz KJYOVPHBQJGCSF-AWEZNQCLSA-N 1 2 220.338 -0.177 20 0 BBADLO CCNC(=O)C[N@@H+](CC)CC[S@@](C)=O ZINC000798193325 586139329 /nfs/dbraw/zinc/13/93/29/586139329.db2.gz KJYOVPHBQJGCSF-CQSZACIVSA-N 1 2 220.338 -0.177 20 0 BBADLO CCNC(=O)C[N@H+](CC)CC[S@@](C)=O ZINC000798193325 586139328 /nfs/dbraw/zinc/13/93/28/586139328.db2.gz KJYOVPHBQJGCSF-CQSZACIVSA-N 1 2 220.338 -0.177 20 0 BBADLO CCNC(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000798193980 586139733 /nfs/dbraw/zinc/13/97/33/586139733.db2.gz SCSPCEQLJGDSHC-INIZCTEOSA-N 1 2 247.364 -0.288 20 0 BBADLO CCNC(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000798193981 586139476 /nfs/dbraw/zinc/13/94/76/586139476.db2.gz SCSPCEQLJGDSHC-MRXNPFEDSA-N 1 2 247.364 -0.288 20 0 BBADLO CC(C)NC(=O)C[N@@H+](C)CC[S@](C)=O ZINC000798194168 586139380 /nfs/dbraw/zinc/13/93/80/586139380.db2.gz WBMJWTMTNJPMIR-AWEZNQCLSA-N 1 2 220.338 -0.179 20 0 BBADLO CC(C)NC(=O)C[N@H+](C)CC[S@](C)=O ZINC000798194168 586139379 /nfs/dbraw/zinc/13/93/79/586139379.db2.gz WBMJWTMTNJPMIR-AWEZNQCLSA-N 1 2 220.338 -0.179 20 0 BBADLO CC(C)NC(=O)C[N@@H+](C)CC[S@@](C)=O ZINC000798194169 586139286 /nfs/dbraw/zinc/13/92/86/586139286.db2.gz WBMJWTMTNJPMIR-CQSZACIVSA-N 1 2 220.338 -0.179 20 0 BBADLO CC(C)NC(=O)C[N@H+](C)CC[S@@](C)=O ZINC000798194169 586139285 /nfs/dbraw/zinc/13/92/85/586139285.db2.gz WBMJWTMTNJPMIR-CQSZACIVSA-N 1 2 220.338 -0.179 20 0 BBADLO CCC[N@@H+](CC[S@](C)=O)CC(=O)NC ZINC000798194465 586139526 /nfs/dbraw/zinc/13/95/26/586139526.db2.gz DSXKJSVLRTUZRQ-AWEZNQCLSA-N 1 2 220.338 -0.177 20 0 BBADLO CCC[N@H+](CC[S@](C)=O)CC(=O)NC ZINC000798194465 586139525 /nfs/dbraw/zinc/13/95/25/586139525.db2.gz DSXKJSVLRTUZRQ-AWEZNQCLSA-N 1 2 220.338 -0.177 20 0 BBADLO CCC[N@@H+](CC[S@@](C)=O)CC(=O)NC ZINC000798194466 586139267 /nfs/dbraw/zinc/13/92/67/586139267.db2.gz DSXKJSVLRTUZRQ-CQSZACIVSA-N 1 2 220.338 -0.177 20 0 BBADLO CCC[N@H+](CC[S@@](C)=O)CC(=O)NC ZINC000798194466 586139266 /nfs/dbraw/zinc/13/92/66/586139266.db2.gz DSXKJSVLRTUZRQ-CQSZACIVSA-N 1 2 220.338 -0.177 20 0 BBADLO C[N@@H+](CC[S@](C)=O)CC(=O)N1CCOCC1 ZINC000798194569 586139465 /nfs/dbraw/zinc/13/94/65/586139465.db2.gz HCQJHXDSTMANDQ-INIZCTEOSA-N 1 2 248.348 -0.845 20 0 BBADLO C[N@H+](CC[S@](C)=O)CC(=O)N1CCOCC1 ZINC000798194569 586139464 /nfs/dbraw/zinc/13/94/64/586139464.db2.gz HCQJHXDSTMANDQ-INIZCTEOSA-N 1 2 248.348 -0.845 20 0 BBADLO C[N@@H+](CC[S@@](C)=O)CC(=O)N1CCOCC1 ZINC000798194570 586139250 /nfs/dbraw/zinc/13/92/50/586139250.db2.gz HCQJHXDSTMANDQ-MRXNPFEDSA-N 1 2 248.348 -0.845 20 0 BBADLO C[N@H+](CC[S@@](C)=O)CC(=O)N1CCOCC1 ZINC000798194570 586139249 /nfs/dbraw/zinc/13/92/49/586139249.db2.gz HCQJHXDSTMANDQ-MRXNPFEDSA-N 1 2 248.348 -0.845 20 0 BBADLO CC(C)[C@H]1C(=O)NCC[N@@H+]1CC[S@@](C)=O ZINC000798195874 586140098 /nfs/dbraw/zinc/14/00/98/586140098.db2.gz QPJKTYSGUDSRKN-BJOHPYRUSA-N 1 2 232.349 -0.179 20 0 BBADLO CC(C)[C@H]1C(=O)NCC[N@H+]1CC[S@@](C)=O ZINC000798195874 586140097 /nfs/dbraw/zinc/14/00/97/586140097.db2.gz QPJKTYSGUDSRKN-BJOHPYRUSA-N 1 2 232.349 -0.179 20 0 BBADLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1CC[S@](C)=O ZINC000798195875 712426466 /nfs/dbraw/zinc/42/64/66/712426466.db2.gz QPJKTYSGUDSRKN-PSLIRLAXSA-N 1 2 232.349 -0.179 20 0 BBADLO CC(C)[C@@H]1C(=O)NCC[N@H+]1CC[S@](C)=O ZINC000798195875 712426465 /nfs/dbraw/zinc/42/64/65/712426465.db2.gz QPJKTYSGUDSRKN-PSLIRLAXSA-N 1 2 232.349 -0.179 20 0 BBADLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1CC[S@@](C)=O ZINC000798195876 712426493 /nfs/dbraw/zinc/42/64/93/712426493.db2.gz QPJKTYSGUDSRKN-RFAUZJTJSA-N 1 2 232.349 -0.179 20 0 BBADLO CC(C)[C@@H]1C(=O)NCC[N@H+]1CC[S@@](C)=O ZINC000798195876 712426491 /nfs/dbraw/zinc/42/64/91/712426491.db2.gz QPJKTYSGUDSRKN-RFAUZJTJSA-N 1 2 232.349 -0.179 20 0 BBADLO CC(C)[C@H]1C(=O)NCC[N@@H+]1CC[S@](C)=O ZINC000798195877 712426522 /nfs/dbraw/zinc/42/65/22/712426522.db2.gz QPJKTYSGUDSRKN-VFZGTOFNSA-N 1 2 232.349 -0.179 20 0 BBADLO CC(C)[C@H]1C(=O)NCC[N@H+]1CC[S@](C)=O ZINC000798195877 712426521 /nfs/dbraw/zinc/42/65/21/712426521.db2.gz QPJKTYSGUDSRKN-VFZGTOFNSA-N 1 2 232.349 -0.179 20 0 BBADLO CN1CC[N@@H+](CC[S@](C)=O)C(C)(C)C1=O ZINC000798196756 586139780 /nfs/dbraw/zinc/13/97/80/586139780.db2.gz MRCFQGKNNMBCCX-HNNXBMFYSA-N 1 2 232.349 -0.083 20 0 BBADLO CN1CC[N@H+](CC[S@](C)=O)C(C)(C)C1=O ZINC000798196756 586139779 /nfs/dbraw/zinc/13/97/79/586139779.db2.gz MRCFQGKNNMBCCX-HNNXBMFYSA-N 1 2 232.349 -0.083 20 0 BBADLO CN1CC[N@@H+](CC[S@@](C)=O)C(C)(C)C1=O ZINC000798196759 586140056 /nfs/dbraw/zinc/14/00/56/586140056.db2.gz MRCFQGKNNMBCCX-OAHLLOKOSA-N 1 2 232.349 -0.083 20 0 BBADLO CN1CC[N@H+](CC[S@@](C)=O)C(C)(C)C1=O ZINC000798196759 586140055 /nfs/dbraw/zinc/14/00/55/586140055.db2.gz MRCFQGKNNMBCCX-OAHLLOKOSA-N 1 2 232.349 -0.083 20 0 BBADLO C[S@](=O)CC[N@H+]1CCNC(=O)C1(C)C ZINC000798197247 586140473 /nfs/dbraw/zinc/14/04/73/586140473.db2.gz PZZKBFCOGRUHQG-AWEZNQCLSA-N 1 2 218.322 -0.425 20 0 BBADLO C[S@](=O)CC[N@@H+]1CCNC(=O)C1(C)C ZINC000798197247 586140472 /nfs/dbraw/zinc/14/04/72/586140472.db2.gz PZZKBFCOGRUHQG-AWEZNQCLSA-N 1 2 218.322 -0.425 20 0 BBADLO C[S@@](=O)CC[N@H+]1CCNC(=O)C1(C)C ZINC000798197248 586138427 /nfs/dbraw/zinc/13/84/27/586138427.db2.gz PZZKBFCOGRUHQG-CQSZACIVSA-N 1 2 218.322 -0.425 20 0 BBADLO C[S@@](=O)CC[N@@H+]1CCNC(=O)C1(C)C ZINC000798197248 586138426 /nfs/dbraw/zinc/13/84/26/586138426.db2.gz PZZKBFCOGRUHQG-CQSZACIVSA-N 1 2 218.322 -0.425 20 0 BBADLO CCN(CC)C(=O)C[NH+]1CCN(C(N)=O)CC1 ZINC000798275727 586141979 /nfs/dbraw/zinc/14/19/79/586141979.db2.gz ULZRHAQDRBUCLP-UHFFFAOYSA-N 1 2 242.323 -0.449 20 0 BBADLO Cn1nncc1C(=O)OCCn1cc[nH+]c1 ZINC000798796996 586150193 /nfs/dbraw/zinc/15/01/93/586150193.db2.gz NWDCTFZKWGFQBR-UHFFFAOYSA-N 1 2 221.220 -0.131 20 0 BBADLO Cn1cc(C[N@@H+](C)[C@@H]2CCC(=O)NC2=O)cn1 ZINC000799105704 586156586 /nfs/dbraw/zinc/15/65/86/586156586.db2.gz HFVRWGBGZUZRDE-SECBINFHSA-N 1 2 236.275 -0.343 20 0 BBADLO Cn1cc(C[N@H+](C)[C@@H]2CCC(=O)NC2=O)cn1 ZINC000799105704 586156585 /nfs/dbraw/zinc/15/65/85/586156585.db2.gz HFVRWGBGZUZRDE-SECBINFHSA-N 1 2 236.275 -0.343 20 0 BBADLO Cn1cc(C[N@@H+](C)[C@H]2CCC(=O)NC2=O)cn1 ZINC000799105705 586156579 /nfs/dbraw/zinc/15/65/79/586156579.db2.gz HFVRWGBGZUZRDE-VIFPVBQESA-N 1 2 236.275 -0.343 20 0 BBADLO Cn1cc(C[N@H+](C)[C@H]2CCC(=O)NC2=O)cn1 ZINC000799105705 586156578 /nfs/dbraw/zinc/15/65/78/586156578.db2.gz HFVRWGBGZUZRDE-VIFPVBQESA-N 1 2 236.275 -0.343 20 0 BBADLO COC(=O)C[N@H+](C)CCC(=O)N(C)OC ZINC000799107920 586156629 /nfs/dbraw/zinc/15/66/29/586156629.db2.gz LCMUNWFGQNACSN-UHFFFAOYSA-N 1 2 218.253 -0.499 20 0 BBADLO COC(=O)C[N@@H+](C)CCC(=O)N(C)OC ZINC000799107920 586156628 /nfs/dbraw/zinc/15/66/28/586156628.db2.gz LCMUNWFGQNACSN-UHFFFAOYSA-N 1 2 218.253 -0.499 20 0 BBADLO CC[N@@H+](CC(=O)N(C)C)[C@@H]1CCC(=O)NC1=O ZINC000799111353 586156999 /nfs/dbraw/zinc/15/69/99/586156999.db2.gz HSAAYVOGFYRQAI-MRVPVSSYSA-N 1 2 241.291 -0.798 20 0 BBADLO CC[N@H+](CC(=O)N(C)C)[C@@H]1CCC(=O)NC1=O ZINC000799111353 586156997 /nfs/dbraw/zinc/15/69/97/586156997.db2.gz HSAAYVOGFYRQAI-MRVPVSSYSA-N 1 2 241.291 -0.798 20 0 BBADLO CC[N@@H+](CC(=O)N(C)C)[C@H]1CCC(=O)NC1=O ZINC000799111359 586156905 /nfs/dbraw/zinc/15/69/05/586156905.db2.gz HSAAYVOGFYRQAI-QMMMGPOBSA-N 1 2 241.291 -0.798 20 0 BBADLO CC[N@H+](CC(=O)N(C)C)[C@H]1CCC(=O)NC1=O ZINC000799111359 586156904 /nfs/dbraw/zinc/15/69/04/586156904.db2.gz HSAAYVOGFYRQAI-QMMMGPOBSA-N 1 2 241.291 -0.798 20 0 BBADLO CCOC(=O)C[N@@H+](C)CCC(=O)N(C)OC ZINC000799119423 586159197 /nfs/dbraw/zinc/15/91/97/586159197.db2.gz LXAXETYYMSJNMB-UHFFFAOYSA-N 1 2 232.280 -0.109 20 0 BBADLO CCOC(=O)C[N@H+](C)CCC(=O)N(C)OC ZINC000799119423 586159196 /nfs/dbraw/zinc/15/91/96/586159196.db2.gz LXAXETYYMSJNMB-UHFFFAOYSA-N 1 2 232.280 -0.109 20 0 BBADLO C[N@@H+](Cc1cc[nH]n1)[C@@H]1CCC(=O)NC1=O ZINC000799122091 586158981 /nfs/dbraw/zinc/15/89/81/586158981.db2.gz OHQPFOADHNRPNC-MRVPVSSYSA-N 1 2 222.248 -0.353 20 0 BBADLO C[N@H+](Cc1cc[nH]n1)[C@@H]1CCC(=O)NC1=O ZINC000799122091 586158980 /nfs/dbraw/zinc/15/89/80/586158980.db2.gz OHQPFOADHNRPNC-MRVPVSSYSA-N 1 2 222.248 -0.353 20 0 BBADLO C[N@@H+](Cc1cc[nH]n1)[C@H]1CCC(=O)NC1=O ZINC000799122092 586159340 /nfs/dbraw/zinc/15/93/40/586159340.db2.gz OHQPFOADHNRPNC-QMMMGPOBSA-N 1 2 222.248 -0.353 20 0 BBADLO C[N@H+](Cc1cc[nH]n1)[C@H]1CCC(=O)NC1=O ZINC000799122092 586159338 /nfs/dbraw/zinc/15/93/38/586159338.db2.gz OHQPFOADHNRPNC-QMMMGPOBSA-N 1 2 222.248 -0.353 20 0 BBADLO CCOC(=O)[C@@H]1C[N@@H+](C[C@@H](C)O)CCO1 ZINC000799124213 586160128 /nfs/dbraw/zinc/16/01/28/586160128.db2.gz HNHDLZONNNFIJL-BDAKNGLRSA-N 1 2 217.265 -0.369 20 0 BBADLO CCOC(=O)[C@@H]1C[N@H+](C[C@@H](C)O)CCO1 ZINC000799124213 586160126 /nfs/dbraw/zinc/16/01/26/586160126.db2.gz HNHDLZONNNFIJL-BDAKNGLRSA-N 1 2 217.265 -0.369 20 0 BBADLO CCOC(=O)[C@H]1C[N@@H+](C[C@H](C)O)CCO1 ZINC000799124216 586160193 /nfs/dbraw/zinc/16/01/93/586160193.db2.gz HNHDLZONNNFIJL-DTWKUNHWSA-N 1 2 217.265 -0.369 20 0 BBADLO CCOC(=O)[C@H]1C[N@H+](C[C@H](C)O)CCO1 ZINC000799124216 586160191 /nfs/dbraw/zinc/16/01/91/586160191.db2.gz HNHDLZONNNFIJL-DTWKUNHWSA-N 1 2 217.265 -0.369 20 0 BBADLO CCOC(=O)[C@@H]1C[N@@H+](C[C@H](C)O)CCO1 ZINC000799124217 586159720 /nfs/dbraw/zinc/15/97/20/586159720.db2.gz HNHDLZONNNFIJL-IUCAKERBSA-N 1 2 217.265 -0.369 20 0 BBADLO CCOC(=O)[C@@H]1C[N@H+](C[C@H](C)O)CCO1 ZINC000799124217 586159719 /nfs/dbraw/zinc/15/97/19/586159719.db2.gz HNHDLZONNNFIJL-IUCAKERBSA-N 1 2 217.265 -0.369 20 0 BBADLO CCOC(=O)[C@H]1C[N@@H+](C[C@@H](C)O)CCO1 ZINC000799124219 586160280 /nfs/dbraw/zinc/16/02/80/586160280.db2.gz HNHDLZONNNFIJL-RKDXNWHRSA-N 1 2 217.265 -0.369 20 0 BBADLO CCOC(=O)[C@H]1C[N@H+](C[C@@H](C)O)CCO1 ZINC000799124219 586160278 /nfs/dbraw/zinc/16/02/78/586160278.db2.gz HNHDLZONNNFIJL-RKDXNWHRSA-N 1 2 217.265 -0.369 20 0 BBADLO CON(C)C(=O)CC[N@H+]1CCN(C)C(=O)C1 ZINC000799124305 586159864 /nfs/dbraw/zinc/15/98/64/586159864.db2.gz JYVLEFGIIWWBAM-UHFFFAOYSA-N 1 2 229.280 -0.830 20 0 BBADLO CON(C)C(=O)CC[N@@H+]1CCN(C)C(=O)C1 ZINC000799124305 586159861 /nfs/dbraw/zinc/15/98/61/586159861.db2.gz JYVLEFGIIWWBAM-UHFFFAOYSA-N 1 2 229.280 -0.830 20 0 BBADLO O=C1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)O3)C(=O)N1 ZINC000799124926 586159797 /nfs/dbraw/zinc/15/97/97/586159797.db2.gz BLSMMJPBEZJVSD-HRDYMLBCSA-N 1 2 224.260 -0.345 20 0 BBADLO O=C1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)O3)C(=O)N1 ZINC000799124926 586159795 /nfs/dbraw/zinc/15/97/95/586159795.db2.gz BLSMMJPBEZJVSD-HRDYMLBCSA-N 1 2 224.260 -0.345 20 0 BBADLO O=C1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)O3)C(=O)N1 ZINC000799124927 583957547 /nfs/dbraw/zinc/95/75/47/583957547.db2.gz BLSMMJPBEZJVSD-YIZRAAEISA-N 1 2 224.260 -0.345 20 0 BBADLO O=C1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)O3)C(=O)N1 ZINC000799124927 583957546 /nfs/dbraw/zinc/95/75/46/583957546.db2.gz BLSMMJPBEZJVSD-YIZRAAEISA-N 1 2 224.260 -0.345 20 0 BBADLO CON(C)C(=O)CC[N@@H+](C)Cc1nnc[nH]1 ZINC000799125367 586160006 /nfs/dbraw/zinc/16/00/06/586160006.db2.gz DIWTXXNEVHMDRC-UHFFFAOYSA-N 1 2 227.268 -0.354 20 0 BBADLO CON(C)C(=O)CC[N@H+](C)Cc1nnc[nH]1 ZINC000799125367 586160005 /nfs/dbraw/zinc/16/00/05/586160005.db2.gz DIWTXXNEVHMDRC-UHFFFAOYSA-N 1 2 227.268 -0.354 20 0 BBADLO C[N@@H+](Cc1cn[nH]c1)[C@@H]1CCC(=O)NC1=O ZINC000799140695 586162244 /nfs/dbraw/zinc/16/22/44/586162244.db2.gz HZFUOFNTUVXTBC-MRVPVSSYSA-N 1 2 222.248 -0.353 20 0 BBADLO C[N@H+](Cc1cn[nH]c1)[C@@H]1CCC(=O)NC1=O ZINC000799140695 586162243 /nfs/dbraw/zinc/16/22/43/586162243.db2.gz HZFUOFNTUVXTBC-MRVPVSSYSA-N 1 2 222.248 -0.353 20 0 BBADLO C[N@@H+](Cc1cn[nH]c1)[C@H]1CCC(=O)NC1=O ZINC000799140696 586162150 /nfs/dbraw/zinc/16/21/50/586162150.db2.gz HZFUOFNTUVXTBC-QMMMGPOBSA-N 1 2 222.248 -0.353 20 0 BBADLO C[N@H+](Cc1cn[nH]c1)[C@H]1CCC(=O)NC1=O ZINC000799140696 586162147 /nfs/dbraw/zinc/16/21/47/586162147.db2.gz HZFUOFNTUVXTBC-QMMMGPOBSA-N 1 2 222.248 -0.353 20 0 BBADLO CCN1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC000799144881 586160427 /nfs/dbraw/zinc/16/04/27/586160427.db2.gz JIAVBMNGANWSIT-NXEZZACHSA-N 1 2 239.319 -0.182 20 0 BBADLO CCN1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC000799144881 586160425 /nfs/dbraw/zinc/16/04/25/586160425.db2.gz JIAVBMNGANWSIT-NXEZZACHSA-N 1 2 239.319 -0.182 20 0 BBADLO CCN1CC[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1C ZINC000799144883 586160623 /nfs/dbraw/zinc/16/06/23/586160623.db2.gz JIAVBMNGANWSIT-UWVGGRQHSA-N 1 2 239.319 -0.182 20 0 BBADLO CCN1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1C ZINC000799144883 586160622 /nfs/dbraw/zinc/16/06/22/586160622.db2.gz JIAVBMNGANWSIT-UWVGGRQHSA-N 1 2 239.319 -0.182 20 0 BBADLO CCN1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1C ZINC000799144885 586160473 /nfs/dbraw/zinc/16/04/73/586160473.db2.gz JIAVBMNGANWSIT-VHSXEESVSA-N 1 2 239.319 -0.182 20 0 BBADLO CCN1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1C ZINC000799144885 586160471 /nfs/dbraw/zinc/16/04/71/586160471.db2.gz JIAVBMNGANWSIT-VHSXEESVSA-N 1 2 239.319 -0.182 20 0 BBADLO CCN1CC[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC000799144910 586160839 /nfs/dbraw/zinc/16/08/39/586160839.db2.gz JIAVBMNGANWSIT-ZJUUUORDSA-N 1 2 239.319 -0.182 20 0 BBADLO CCN1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC000799144910 586160837 /nfs/dbraw/zinc/16/08/37/586160837.db2.gz JIAVBMNGANWSIT-ZJUUUORDSA-N 1 2 239.319 -0.182 20 0 BBADLO O=C1CC[C@@H]([N@H+]2CCc3n[nH]cc3C2)C(=O)N1 ZINC000799145871 586161405 /nfs/dbraw/zinc/16/14/05/586161405.db2.gz OUXYGEUGWNHONG-SECBINFHSA-N 1 2 234.259 -0.427 20 0 BBADLO O=C1CC[C@@H]([N@@H+]2CCc3n[nH]cc3C2)C(=O)N1 ZINC000799145871 586161403 /nfs/dbraw/zinc/16/14/03/586161403.db2.gz OUXYGEUGWNHONG-SECBINFHSA-N 1 2 234.259 -0.427 20 0 BBADLO O=C1CC[C@H]([N@H+]2CCc3n[nH]cc3C2)C(=O)N1 ZINC000799145872 586161931 /nfs/dbraw/zinc/16/19/31/586161931.db2.gz OUXYGEUGWNHONG-VIFPVBQESA-N 1 2 234.259 -0.427 20 0 BBADLO O=C1CC[C@H]([N@@H+]2CCc3n[nH]cc3C2)C(=O)N1 ZINC000799145872 586161929 /nfs/dbraw/zinc/16/19/29/586161929.db2.gz OUXYGEUGWNHONG-VIFPVBQESA-N 1 2 234.259 -0.427 20 0 BBADLO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)CCN1C ZINC000799147253 586161942 /nfs/dbraw/zinc/16/19/42/586161942.db2.gz LVPFWZKLYBBZDB-BDAKNGLRSA-N 1 2 225.292 -0.573 20 0 BBADLO C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)CCN1C ZINC000799147253 586161940 /nfs/dbraw/zinc/16/19/40/586161940.db2.gz LVPFWZKLYBBZDB-BDAKNGLRSA-N 1 2 225.292 -0.573 20 0 BBADLO C[C@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)CCN1C ZINC000799147254 586161699 /nfs/dbraw/zinc/16/16/99/586161699.db2.gz LVPFWZKLYBBZDB-DTWKUNHWSA-N 1 2 225.292 -0.573 20 0 BBADLO C[C@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)CCN1C ZINC000799147254 586161696 /nfs/dbraw/zinc/16/16/96/586161696.db2.gz LVPFWZKLYBBZDB-DTWKUNHWSA-N 1 2 225.292 -0.573 20 0 BBADLO C[C@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)CCN1C ZINC000799147455 586161850 /nfs/dbraw/zinc/16/18/50/586161850.db2.gz LVPFWZKLYBBZDB-IUCAKERBSA-N 1 2 225.292 -0.573 20 0 BBADLO C[C@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)CCN1C ZINC000799147455 586161849 /nfs/dbraw/zinc/16/18/49/586161849.db2.gz LVPFWZKLYBBZDB-IUCAKERBSA-N 1 2 225.292 -0.573 20 0 BBADLO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)CCN1C ZINC000799147456 586161861 /nfs/dbraw/zinc/16/18/61/586161861.db2.gz LVPFWZKLYBBZDB-RKDXNWHRSA-N 1 2 225.292 -0.573 20 0 BBADLO C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)CCN1C ZINC000799147456 586161859 /nfs/dbraw/zinc/16/18/59/586161859.db2.gz LVPFWZKLYBBZDB-RKDXNWHRSA-N 1 2 225.292 -0.573 20 0 BBADLO CCN1CC[N@@H+](CCC(=O)N(C)OC)CC1=O ZINC000799164212 586162749 /nfs/dbraw/zinc/16/27/49/586162749.db2.gz GNYJVVNQQUSFLG-UHFFFAOYSA-N 1 2 243.307 -0.440 20 0 BBADLO CCN1CC[N@H+](CCC(=O)N(C)OC)CC1=O ZINC000799164212 586162747 /nfs/dbraw/zinc/16/27/47/586162747.db2.gz GNYJVVNQQUSFLG-UHFFFAOYSA-N 1 2 243.307 -0.440 20 0 BBADLO Cc1cn2c([nH+]1)CN([C@@H]1CCC(=O)NC1=O)CC2 ZINC000799165099 586163967 /nfs/dbraw/zinc/16/39/67/586163967.db2.gz XTAIPRQPFNGOGH-SECBINFHSA-N 1 2 248.286 -0.188 20 0 BBADLO Cc1cn2c([nH+]1)CN([C@H]1CCC(=O)NC1=O)CC2 ZINC000799165109 586164275 /nfs/dbraw/zinc/16/42/75/586164275.db2.gz XTAIPRQPFNGOGH-VIFPVBQESA-N 1 2 248.286 -0.188 20 0 BBADLO CON(C)C(=O)CC[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000799166365 586163859 /nfs/dbraw/zinc/16/38/59/586163859.db2.gz AMOWJXHWTQJCED-SECBINFHSA-N 1 2 243.307 -0.441 20 0 BBADLO CON(C)C(=O)CC[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000799166365 586163858 /nfs/dbraw/zinc/16/38/58/586163858.db2.gz AMOWJXHWTQJCED-SECBINFHSA-N 1 2 243.307 -0.441 20 0 BBADLO CON(C)C(=O)CC[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000799166366 586164094 /nfs/dbraw/zinc/16/40/94/586164094.db2.gz AMOWJXHWTQJCED-VIFPVBQESA-N 1 2 243.307 -0.441 20 0 BBADLO CON(C)C(=O)CC[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000799166366 586164092 /nfs/dbraw/zinc/16/40/92/586164092.db2.gz AMOWJXHWTQJCED-VIFPVBQESA-N 1 2 243.307 -0.441 20 0 BBADLO CC(C)C1(O)C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799168956 586164758 /nfs/dbraw/zinc/16/47/58/586164758.db2.gz ZPSIYOHMZXYULD-MRVPVSSYSA-N 1 2 226.276 -0.506 20 0 BBADLO CC(C)C1(O)C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799168959 586164737 /nfs/dbraw/zinc/16/47/37/586164737.db2.gz ZPSIYOHMZXYULD-QMMMGPOBSA-N 1 2 226.276 -0.506 20 0 BBADLO CNC(=O)C[N@@H+](C)C[C@H](O)c1ccc(F)cn1 ZINC000799295195 586169944 /nfs/dbraw/zinc/16/99/44/586169944.db2.gz CABJRAXLJLLPPA-JTQLQIEISA-N 1 2 241.266 -0.068 20 0 BBADLO CNC(=O)C[N@H+](C)C[C@H](O)c1ccc(F)cn1 ZINC000799295195 586169943 /nfs/dbraw/zinc/16/99/43/586169943.db2.gz CABJRAXLJLLPPA-JTQLQIEISA-N 1 2 241.266 -0.068 20 0 BBADLO CNC(=O)C[N@@H+](C)C[C@@H](O)c1ccc(F)cn1 ZINC000799295196 586169662 /nfs/dbraw/zinc/16/96/62/586169662.db2.gz CABJRAXLJLLPPA-SNVBAGLBSA-N 1 2 241.266 -0.068 20 0 BBADLO CNC(=O)C[N@H+](C)C[C@@H](O)c1ccc(F)cn1 ZINC000799295196 586169660 /nfs/dbraw/zinc/16/96/60/586169660.db2.gz CABJRAXLJLLPPA-SNVBAGLBSA-N 1 2 241.266 -0.068 20 0 BBADLO COC(=O)C[C@@H]([NH2+]Cc1nnn(C)n1)C1CC1 ZINC000799319832 586171101 /nfs/dbraw/zinc/17/11/01/586171101.db2.gz MHBPWFRMEIPHPS-MRVPVSSYSA-N 1 2 239.279 -0.359 20 0 BBADLO COC(=O)C[C@H]([NH2+]Cc1nnn(C)n1)C1CC1 ZINC000799319840 586171070 /nfs/dbraw/zinc/17/10/70/586171070.db2.gz MHBPWFRMEIPHPS-QMMMGPOBSA-N 1 2 239.279 -0.359 20 0 BBADLO CC[N@@H+](CC(=O)N(C)OC)[C@@H]1CCNC1=O ZINC000799352696 586173878 /nfs/dbraw/zinc/17/38/78/586173878.db2.gz MMAYJVSORAFFOX-MRVPVSSYSA-N 1 2 229.280 -0.783 20 0 BBADLO CC[N@H+](CC(=O)N(C)OC)[C@@H]1CCNC1=O ZINC000799352696 586173875 /nfs/dbraw/zinc/17/38/75/586173875.db2.gz MMAYJVSORAFFOX-MRVPVSSYSA-N 1 2 229.280 -0.783 20 0 BBADLO CC[N@@H+](CC(=O)N(C)OC)[C@H]1CCNC1=O ZINC000799352697 586173572 /nfs/dbraw/zinc/17/35/72/586173572.db2.gz MMAYJVSORAFFOX-QMMMGPOBSA-N 1 2 229.280 -0.783 20 0 BBADLO CC[N@H+](CC(=O)N(C)OC)[C@H]1CCNC1=O ZINC000799352697 586173571 /nfs/dbraw/zinc/17/35/71/586173571.db2.gz MMAYJVSORAFFOX-QMMMGPOBSA-N 1 2 229.280 -0.783 20 0 BBADLO CC[N@@H+](CC1OCCO1)[C@@H]1CCNC1=O ZINC000799353435 586173809 /nfs/dbraw/zinc/17/38/09/586173809.db2.gz ORWRKVFZJATMDT-MRVPVSSYSA-N 1 2 214.265 -0.430 20 0 BBADLO CC[N@H+](CC1OCCO1)[C@@H]1CCNC1=O ZINC000799353435 586173806 /nfs/dbraw/zinc/17/38/06/586173806.db2.gz ORWRKVFZJATMDT-MRVPVSSYSA-N 1 2 214.265 -0.430 20 0 BBADLO CC[N@@H+](CC1OCCO1)[C@H]1CCNC1=O ZINC000799353436 586173497 /nfs/dbraw/zinc/17/34/97/586173497.db2.gz ORWRKVFZJATMDT-QMMMGPOBSA-N 1 2 214.265 -0.430 20 0 BBADLO CC[N@H+](CC1OCCO1)[C@H]1CCNC1=O ZINC000799353436 586173495 /nfs/dbraw/zinc/17/34/95/586173495.db2.gz ORWRKVFZJATMDT-QMMMGPOBSA-N 1 2 214.265 -0.430 20 0 BBADLO Cn1nnc(COC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC000799490979 586180547 /nfs/dbraw/zinc/18/05/47/586180547.db2.gz CJYAYBMQWORKKF-MRVPVSSYSA-N 1 2 239.279 -0.262 20 0 BBADLO Cn1nnc(COC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC000799490979 586180545 /nfs/dbraw/zinc/18/05/45/586180545.db2.gz CJYAYBMQWORKKF-MRVPVSSYSA-N 1 2 239.279 -0.262 20 0 BBADLO Cn1nnc(COC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC000799490980 586180495 /nfs/dbraw/zinc/18/04/95/586180495.db2.gz CJYAYBMQWORKKF-QMMMGPOBSA-N 1 2 239.279 -0.262 20 0 BBADLO Cn1nnc(COC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC000799490980 586180493 /nfs/dbraw/zinc/18/04/93/586180493.db2.gz CJYAYBMQWORKKF-QMMMGPOBSA-N 1 2 239.279 -0.262 20 0 BBADLO CC(=O)NCC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800095677 591822371 /nfs/dbraw/zinc/82/23/71/591822371.db2.gz OFRIIXMDEUABML-SECBINFHSA-N 1 2 244.291 -0.614 20 0 BBADLO CC(=O)NCC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800095677 591822370 /nfs/dbraw/zinc/82/23/70/591822370.db2.gz OFRIIXMDEUABML-SECBINFHSA-N 1 2 244.291 -0.614 20 0 BBADLO CC(=O)NCC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800095684 591821608 /nfs/dbraw/zinc/82/16/08/591821608.db2.gz OFRIIXMDEUABML-VIFPVBQESA-N 1 2 244.291 -0.614 20 0 BBADLO CC(=O)NCC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800095684 591821606 /nfs/dbraw/zinc/82/16/06/591821606.db2.gz OFRIIXMDEUABML-VIFPVBQESA-N 1 2 244.291 -0.614 20 0 BBADLO COCC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800097561 591821718 /nfs/dbraw/zinc/82/17/18/591821718.db2.gz PEZQAYCSPUNGME-SECBINFHSA-N 1 2 217.265 -0.103 20 0 BBADLO COCC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800097561 591821713 /nfs/dbraw/zinc/82/17/13/591821713.db2.gz PEZQAYCSPUNGME-SECBINFHSA-N 1 2 217.265 -0.103 20 0 BBADLO COCC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800097564 591821929 /nfs/dbraw/zinc/82/19/29/591821929.db2.gz PEZQAYCSPUNGME-VIFPVBQESA-N 1 2 217.265 -0.103 20 0 BBADLO COCC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800097564 591821926 /nfs/dbraw/zinc/82/19/26/591821926.db2.gz PEZQAYCSPUNGME-VIFPVBQESA-N 1 2 217.265 -0.103 20 0 BBADLO COC[C@@H](O)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800192245 591836084 /nfs/dbraw/zinc/83/60/84/591836084.db2.gz UXNATARFMRZASG-NXEZZACHSA-N 1 2 247.291 -0.742 20 0 BBADLO COC[C@@H](O)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800192245 591836081 /nfs/dbraw/zinc/83/60/81/591836081.db2.gz UXNATARFMRZASG-NXEZZACHSA-N 1 2 247.291 -0.742 20 0 BBADLO COC[C@H](O)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800192246 591836222 /nfs/dbraw/zinc/83/62/22/591836222.db2.gz UXNATARFMRZASG-UWVGGRQHSA-N 1 2 247.291 -0.742 20 0 BBADLO COC[C@H](O)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800192246 591836220 /nfs/dbraw/zinc/83/62/20/591836220.db2.gz UXNATARFMRZASG-UWVGGRQHSA-N 1 2 247.291 -0.742 20 0 BBADLO COC[C@@H](O)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800192247 591836208 /nfs/dbraw/zinc/83/62/08/591836208.db2.gz UXNATARFMRZASG-VHSXEESVSA-N 1 2 247.291 -0.742 20 0 BBADLO COC[C@@H](O)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800192247 591836206 /nfs/dbraw/zinc/83/62/06/591836206.db2.gz UXNATARFMRZASG-VHSXEESVSA-N 1 2 247.291 -0.742 20 0 BBADLO COC[C@H](O)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800192248 591836198 /nfs/dbraw/zinc/83/61/98/591836198.db2.gz UXNATARFMRZASG-ZJUUUORDSA-N 1 2 247.291 -0.742 20 0 BBADLO COC[C@H](O)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800192248 591836197 /nfs/dbraw/zinc/83/61/97/591836197.db2.gz UXNATARFMRZASG-ZJUUUORDSA-N 1 2 247.291 -0.742 20 0 BBADLO CNC(=O)CC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800203723 591839766 /nfs/dbraw/zinc/83/97/66/591839766.db2.gz RKZZCRKNZASLMI-SECBINFHSA-N 1 2 244.291 -0.614 20 0 BBADLO CNC(=O)CC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800203723 591839764 /nfs/dbraw/zinc/83/97/64/591839764.db2.gz RKZZCRKNZASLMI-SECBINFHSA-N 1 2 244.291 -0.614 20 0 BBADLO CNC(=O)CC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800203724 591838920 /nfs/dbraw/zinc/83/89/20/591838920.db2.gz RKZZCRKNZASLMI-VIFPVBQESA-N 1 2 244.291 -0.614 20 0 BBADLO CNC(=O)CC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800203724 591838916 /nfs/dbraw/zinc/83/89/16/591838916.db2.gz RKZZCRKNZASLMI-VIFPVBQESA-N 1 2 244.291 -0.614 20 0 BBADLO C[C@@H]1C[N@@H+](CCOC(=O)C2COC2)CCO1 ZINC000800211823 591840906 /nfs/dbraw/zinc/84/09/06/591840906.db2.gz NOSLNCWJEUZFDH-SECBINFHSA-N 1 2 229.276 -0.103 20 0 BBADLO C[C@@H]1C[N@H+](CCOC(=O)C2COC2)CCO1 ZINC000800211823 591840903 /nfs/dbraw/zinc/84/09/03/591840903.db2.gz NOSLNCWJEUZFDH-SECBINFHSA-N 1 2 229.276 -0.103 20 0 BBADLO C[C@H]1C[N@@H+](CCOC(=O)C2COC2)CCO1 ZINC000800211824 591840964 /nfs/dbraw/zinc/84/09/64/591840964.db2.gz NOSLNCWJEUZFDH-VIFPVBQESA-N 1 2 229.276 -0.103 20 0 BBADLO C[C@H]1C[N@H+](CCOC(=O)C2COC2)CCO1 ZINC000800211824 591840962 /nfs/dbraw/zinc/84/09/62/591840962.db2.gz NOSLNCWJEUZFDH-VIFPVBQESA-N 1 2 229.276 -0.103 20 0 BBADLO C[C@@H]1C[N@@H+](CCN2CCCNC(=O)C2)CCO1 ZINC000800337696 586212210 /nfs/dbraw/zinc/21/22/10/586212210.db2.gz LQXZYEYIHGYTGU-LLVKDONJSA-N 1 2 241.335 -0.471 20 0 BBADLO C[C@@H]1C[N@H+](CCN2CCCNC(=O)C2)CCO1 ZINC000800337696 586212208 /nfs/dbraw/zinc/21/22/08/586212208.db2.gz LQXZYEYIHGYTGU-LLVKDONJSA-N 1 2 241.335 -0.471 20 0 BBADLO C[C@H]1C[N@@H+](CCN2CCCNC(=O)C2)CCO1 ZINC000800337697 586212278 /nfs/dbraw/zinc/21/22/78/586212278.db2.gz LQXZYEYIHGYTGU-NSHDSACASA-N 1 2 241.335 -0.471 20 0 BBADLO C[C@H]1C[N@H+](CCN2CCCNC(=O)C2)CCO1 ZINC000800337697 586212277 /nfs/dbraw/zinc/21/22/77/586212277.db2.gz LQXZYEYIHGYTGU-NSHDSACASA-N 1 2 241.335 -0.471 20 0 BBADLO COC(C[N@H+]1CC[C@@H](S(C)(=O)=O)C1)OC ZINC000800465857 586221439 /nfs/dbraw/zinc/22/14/39/586221439.db2.gz HISGFLMENAYTAP-MRVPVSSYSA-N 1 2 237.321 -0.276 20 0 BBADLO COC(C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1)OC ZINC000800465857 586221438 /nfs/dbraw/zinc/22/14/38/586221438.db2.gz HISGFLMENAYTAP-MRVPVSSYSA-N 1 2 237.321 -0.276 20 0 BBADLO COC(C[N@H+]1CC[C@H](S(C)(=O)=O)C1)OC ZINC000800465860 586221149 /nfs/dbraw/zinc/22/11/49/586221149.db2.gz HISGFLMENAYTAP-QMMMGPOBSA-N 1 2 237.321 -0.276 20 0 BBADLO COC(C[N@@H+]1CC[C@H](S(C)(=O)=O)C1)OC ZINC000800465860 586221148 /nfs/dbraw/zinc/22/11/48/586221148.db2.gz HISGFLMENAYTAP-QMMMGPOBSA-N 1 2 237.321 -0.276 20 0 BBADLO COC(C[N@@H+]1CC(=O)N(C)[C@H](C)C1)OC ZINC000800479010 586221865 /nfs/dbraw/zinc/22/18/65/586221865.db2.gz BGSPGELMDFMKOY-MRVPVSSYSA-N 1 2 216.281 -0.232 20 0 BBADLO COC(C[N@H+]1CC(=O)N(C)[C@H](C)C1)OC ZINC000800479010 586221864 /nfs/dbraw/zinc/22/18/64/586221864.db2.gz BGSPGELMDFMKOY-MRVPVSSYSA-N 1 2 216.281 -0.232 20 0 BBADLO COC(C[N@@H+]1CC(=O)N(C)[C@@H](C)C1)OC ZINC000800479015 586222272 /nfs/dbraw/zinc/22/22/72/586222272.db2.gz BGSPGELMDFMKOY-QMMMGPOBSA-N 1 2 216.281 -0.232 20 0 BBADLO COC(C[N@H+]1CC(=O)N(C)[C@@H](C)C1)OC ZINC000800479015 586222271 /nfs/dbraw/zinc/22/22/71/586222271.db2.gz BGSPGELMDFMKOY-QMMMGPOBSA-N 1 2 216.281 -0.232 20 0 BBADLO COC(C[N@H+]1CC(=O)NCC1(C)C)OC ZINC000800488300 586222955 /nfs/dbraw/zinc/22/29/55/586222955.db2.gz IVMFMRVKCWNOSA-UHFFFAOYSA-N 1 2 216.281 -0.184 20 0 BBADLO COC(C[N@@H+]1CC(=O)NCC1(C)C)OC ZINC000800488300 586222953 /nfs/dbraw/zinc/22/29/53/586222953.db2.gz IVMFMRVKCWNOSA-UHFFFAOYSA-N 1 2 216.281 -0.184 20 0 BBADLO CC1(C)CNC(=O)C[N@H+]1CC1OCCO1 ZINC000800488843 586222819 /nfs/dbraw/zinc/22/28/19/586222819.db2.gz OWKDVZDNIJCOEE-UHFFFAOYSA-N 1 2 214.265 -0.430 20 0 BBADLO CC1(C)CNC(=O)C[N@@H+]1CC1OCCO1 ZINC000800488843 586222816 /nfs/dbraw/zinc/22/28/16/586222816.db2.gz OWKDVZDNIJCOEE-UHFFFAOYSA-N 1 2 214.265 -0.430 20 0 BBADLO CC1(C)CNC(=O)C[N@H+]1CCN1CCOC1=O ZINC000800490022 586223090 /nfs/dbraw/zinc/22/30/90/586223090.db2.gz ZHNAKTQVZSMUMQ-UHFFFAOYSA-N 1 2 241.291 -0.351 20 0 BBADLO CC1(C)CNC(=O)C[N@@H+]1CCN1CCOC1=O ZINC000800490022 586223089 /nfs/dbraw/zinc/22/30/89/586223089.db2.gz ZHNAKTQVZSMUMQ-UHFFFAOYSA-N 1 2 241.291 -0.351 20 0 BBADLO CC(=O)N[C@@H](C)C(=O)OCC[NH+]1CCOCC1 ZINC000801185871 586246587 /nfs/dbraw/zinc/24/65/87/586246587.db2.gz CKAFLZGNCPSISL-VIFPVBQESA-N 1 2 244.291 -0.614 20 0 BBADLO CC(=O)N[C@@H](C)C(=O)OCCn1cc[nH+]c1 ZINC000801186590 586246373 /nfs/dbraw/zinc/24/63/73/586246373.db2.gz VYROKJVDLHLJMB-QMMMGPOBSA-N 1 2 225.248 -0.049 20 0 BBADLO OCCOCC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801559434 586262829 /nfs/dbraw/zinc/26/28/29/586262829.db2.gz IVBUVTXAQQQAJR-MRVPVSSYSA-N 1 2 225.235 -0.039 20 0 BBADLO OCCOCC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801559434 586262828 /nfs/dbraw/zinc/26/28/28/586262828.db2.gz IVBUVTXAQQQAJR-MRVPVSSYSA-N 1 2 225.235 -0.039 20 0 BBADLO OCCOCC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801559435 586262864 /nfs/dbraw/zinc/26/28/64/586262864.db2.gz IVBUVTXAQQQAJR-QMMMGPOBSA-N 1 2 225.235 -0.039 20 0 BBADLO OCCOCC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801559435 586262863 /nfs/dbraw/zinc/26/28/63/586262863.db2.gz IVBUVTXAQQQAJR-QMMMGPOBSA-N 1 2 225.235 -0.039 20 0 BBADLO COC[C@H](O)C[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801561572 586262813 /nfs/dbraw/zinc/26/28/13/586262813.db2.gz XMFBQFXVOLXRQQ-HTQZYQBOSA-N 1 2 225.235 -0.040 20 0 BBADLO COC[C@H](O)C[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801561572 586262812 /nfs/dbraw/zinc/26/28/12/586262812.db2.gz XMFBQFXVOLXRQQ-HTQZYQBOSA-N 1 2 225.235 -0.040 20 0 BBADLO COC[C@H](O)C[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801561573 586262255 /nfs/dbraw/zinc/26/22/55/586262255.db2.gz XMFBQFXVOLXRQQ-SFYZADRCSA-N 1 2 225.235 -0.040 20 0 BBADLO COC[C@H](O)C[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801561573 586262252 /nfs/dbraw/zinc/26/22/52/586262252.db2.gz XMFBQFXVOLXRQQ-SFYZADRCSA-N 1 2 225.235 -0.040 20 0 BBADLO OCC1(C[N@H+]2CCO[C@@H](C(F)F)C2)COC1 ZINC000801564240 586263223 /nfs/dbraw/zinc/26/32/23/586263223.db2.gz LXCLHHVVHZAEOU-MRVPVSSYSA-N 1 2 237.246 -0.039 20 0 BBADLO OCC1(C[N@@H+]2CCO[C@@H](C(F)F)C2)COC1 ZINC000801564240 586263222 /nfs/dbraw/zinc/26/32/22/586263222.db2.gz LXCLHHVVHZAEOU-MRVPVSSYSA-N 1 2 237.246 -0.039 20 0 BBADLO OCC1(C[N@H+]2CCO[C@H](C(F)F)C2)COC1 ZINC000801564241 586263816 /nfs/dbraw/zinc/26/38/16/586263816.db2.gz LXCLHHVVHZAEOU-QMMMGPOBSA-N 1 2 237.246 -0.039 20 0 BBADLO OCC1(C[N@@H+]2CCO[C@H](C(F)F)C2)COC1 ZINC000801564241 586263814 /nfs/dbraw/zinc/26/38/14/586263814.db2.gz LXCLHHVVHZAEOU-QMMMGPOBSA-N 1 2 237.246 -0.039 20 0 BBADLO COC[C@@H](O)C[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801565102 586263263 /nfs/dbraw/zinc/26/32/63/586263263.db2.gz XMFBQFXVOLXRQQ-JGVFFNPUSA-N 1 2 225.235 -0.040 20 0 BBADLO COC[C@@H](O)C[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801565102 586263262 /nfs/dbraw/zinc/26/32/62/586263262.db2.gz XMFBQFXVOLXRQQ-JGVFFNPUSA-N 1 2 225.235 -0.040 20 0 BBADLO COC[C@@H](O)C[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801565104 586263301 /nfs/dbraw/zinc/26/33/01/586263301.db2.gz XMFBQFXVOLXRQQ-YUMQZZPRSA-N 1 2 225.235 -0.040 20 0 BBADLO COC[C@@H](O)C[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801565104 586263300 /nfs/dbraw/zinc/26/33/00/586263300.db2.gz XMFBQFXVOLXRQQ-YUMQZZPRSA-N 1 2 225.235 -0.040 20 0 BBADLO O=C1OCCN1CC[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000801589309 586265256 /nfs/dbraw/zinc/26/52/56/586265256.db2.gz OFQTXCXKXGHKGD-AOOOYVTPSA-N 1 2 242.275 -0.462 20 0 BBADLO O=C1OCCN1CC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000801589309 586265254 /nfs/dbraw/zinc/26/52/54/586265254.db2.gz OFQTXCXKXGHKGD-AOOOYVTPSA-N 1 2 242.275 -0.462 20 0 BBADLO CON(C)C(=O)C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000801589571 586265379 /nfs/dbraw/zinc/26/53/79/586265379.db2.gz GQSOFTCLEQNCBU-DTORHVGOSA-N 1 2 230.264 -0.894 20 0 BBADLO CON(C)C(=O)C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000801589571 586265377 /nfs/dbraw/zinc/26/53/77/586265377.db2.gz GQSOFTCLEQNCBU-DTORHVGOSA-N 1 2 230.264 -0.894 20 0 BBADLO C(C1OCCO1)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000801589980 586265324 /nfs/dbraw/zinc/26/53/24/586265324.db2.gz XAZOMENJDLSFFE-DTORHVGOSA-N 1 2 215.249 -0.541 20 0 BBADLO C(C1OCCO1)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000801589980 586265323 /nfs/dbraw/zinc/26/53/23/586265323.db2.gz XAZOMENJDLSFFE-DTORHVGOSA-N 1 2 215.249 -0.541 20 0 BBADLO CN(C)c1c[nH+]ccc1NC(=O)NOCCO ZINC000801922213 586277651 /nfs/dbraw/zinc/27/76/51/586277651.db2.gz SRSADRGTDTYFJH-UHFFFAOYSA-N 1 2 240.263 -0.385 20 0 BBADLO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)CCC1=O ZINC000801945038 586281915 /nfs/dbraw/zinc/28/19/15/586281915.db2.gz UJZSPTBNCXYXSD-HTQZYQBOSA-N 1 2 224.260 -0.298 20 0 BBADLO C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)CCC1=O ZINC000801945038 586281914 /nfs/dbraw/zinc/28/19/14/586281914.db2.gz UJZSPTBNCXYXSD-HTQZYQBOSA-N 1 2 224.260 -0.298 20 0 BBADLO C[C@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)CCC1=O ZINC000801945039 586281411 /nfs/dbraw/zinc/28/14/11/586281411.db2.gz UJZSPTBNCXYXSD-JGVFFNPUSA-N 1 2 224.260 -0.298 20 0 BBADLO C[C@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)CCC1=O ZINC000801945039 586281408 /nfs/dbraw/zinc/28/14/08/586281408.db2.gz UJZSPTBNCXYXSD-JGVFFNPUSA-N 1 2 224.260 -0.298 20 0 BBADLO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)CCC1=O ZINC000801945040 586281560 /nfs/dbraw/zinc/28/15/60/586281560.db2.gz UJZSPTBNCXYXSD-SFYZADRCSA-N 1 2 224.260 -0.298 20 0 BBADLO C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)CCC1=O ZINC000801945040 586281558 /nfs/dbraw/zinc/28/15/58/586281558.db2.gz UJZSPTBNCXYXSD-SFYZADRCSA-N 1 2 224.260 -0.298 20 0 BBADLO C[C@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)CCC1=O ZINC000801945041 586281659 /nfs/dbraw/zinc/28/16/59/586281659.db2.gz UJZSPTBNCXYXSD-YUMQZZPRSA-N 1 2 224.260 -0.298 20 0 BBADLO C[C@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)CCC1=O ZINC000801945041 586281657 /nfs/dbraw/zinc/28/16/57/586281657.db2.gz UJZSPTBNCXYXSD-YUMQZZPRSA-N 1 2 224.260 -0.298 20 0 BBADLO C[C@](O)(CO)CNC(=O)c1cccc2[nH+]ccn21 ZINC000801975891 586284380 /nfs/dbraw/zinc/28/43/80/586284380.db2.gz XSLSGBDXAZIISY-GFCCVEGCSA-N 1 2 249.270 -0.193 20 0 BBADLO C[C@@](O)(CO)CNC(=O)c1cccc2[nH+]ccn21 ZINC000801975892 586284473 /nfs/dbraw/zinc/28/44/73/586284473.db2.gz XSLSGBDXAZIISY-LBPRGKRZSA-N 1 2 249.270 -0.193 20 0 BBADLO CON(C)C(=O)C[N@H+]1CC[C@](F)(CO)C1 ZINC000802010896 586285779 /nfs/dbraw/zinc/28/57/79/586285779.db2.gz JWRCPOVNPDZGNB-SECBINFHSA-N 1 2 220.244 -0.588 20 0 BBADLO CON(C)C(=O)C[N@@H+]1CC[C@](F)(CO)C1 ZINC000802010896 586285778 /nfs/dbraw/zinc/28/57/78/586285778.db2.gz JWRCPOVNPDZGNB-SECBINFHSA-N 1 2 220.244 -0.588 20 0 BBADLO CON(C)C(=O)C[N@H+]1CC[C@@](F)(CO)C1 ZINC000802010897 586286306 /nfs/dbraw/zinc/28/63/06/586286306.db2.gz JWRCPOVNPDZGNB-VIFPVBQESA-N 1 2 220.244 -0.588 20 0 BBADLO CON(C)C(=O)C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000802010897 586286305 /nfs/dbraw/zinc/28/63/05/586286305.db2.gz JWRCPOVNPDZGNB-VIFPVBQESA-N 1 2 220.244 -0.588 20 0 BBADLO OC[C@@]1(F)CC[N@@H+](CC2OCCO2)C1 ZINC000802011443 586286183 /nfs/dbraw/zinc/28/61/83/586286183.db2.gz BDXIUNDYQVAJOE-SECBINFHSA-N 1 2 205.229 -0.234 20 0 BBADLO OC[C@@]1(F)CC[N@H+](CC2OCCO2)C1 ZINC000802011443 586286180 /nfs/dbraw/zinc/28/61/80/586286180.db2.gz BDXIUNDYQVAJOE-SECBINFHSA-N 1 2 205.229 -0.234 20 0 BBADLO OC[C@]1(F)CC[N@@H+](CC2OCCO2)C1 ZINC000802011448 586286261 /nfs/dbraw/zinc/28/62/61/586286261.db2.gz BDXIUNDYQVAJOE-VIFPVBQESA-N 1 2 205.229 -0.234 20 0 BBADLO OC[C@]1(F)CC[N@H+](CC2OCCO2)C1 ZINC000802011448 586286259 /nfs/dbraw/zinc/28/62/59/586286259.db2.gz BDXIUNDYQVAJOE-VIFPVBQESA-N 1 2 205.229 -0.234 20 0 BBADLO O=C1CC[C@@H]([N@H+]2CC[C@](F)(CO)C2)C(=O)N1 ZINC000802011775 586286078 /nfs/dbraw/zinc/28/60/78/586286078.db2.gz CWCGPIOJGQLQFP-GMSGAONNSA-N 1 2 230.239 -0.802 20 0 BBADLO O=C1CC[C@@H]([N@@H+]2CC[C@](F)(CO)C2)C(=O)N1 ZINC000802011775 586286077 /nfs/dbraw/zinc/28/60/77/586286077.db2.gz CWCGPIOJGQLQFP-GMSGAONNSA-N 1 2 230.239 -0.802 20 0 BBADLO O=C1CC[C@H]([N@H+]2CC[C@](F)(CO)C2)C(=O)N1 ZINC000802011778 586286415 /nfs/dbraw/zinc/28/64/15/586286415.db2.gz CWCGPIOJGQLQFP-OIBJUYFYSA-N 1 2 230.239 -0.802 20 0 BBADLO O=C1CC[C@H]([N@@H+]2CC[C@](F)(CO)C2)C(=O)N1 ZINC000802011778 586286414 /nfs/dbraw/zinc/28/64/14/586286414.db2.gz CWCGPIOJGQLQFP-OIBJUYFYSA-N 1 2 230.239 -0.802 20 0 BBADLO O=C1CC[C@@H]([N@H+]2CC[C@@](F)(CO)C2)C(=O)N1 ZINC000802011779 586286375 /nfs/dbraw/zinc/28/63/75/586286375.db2.gz CWCGPIOJGQLQFP-XCBNKYQSSA-N 1 2 230.239 -0.802 20 0 BBADLO O=C1CC[C@@H]([N@@H+]2CC[C@@](F)(CO)C2)C(=O)N1 ZINC000802011779 586286374 /nfs/dbraw/zinc/28/63/74/586286374.db2.gz CWCGPIOJGQLQFP-XCBNKYQSSA-N 1 2 230.239 -0.802 20 0 BBADLO O=C1CC[C@H]([N@H+]2CC[C@@](F)(CO)C2)C(=O)N1 ZINC000802011780 586286130 /nfs/dbraw/zinc/28/61/30/586286130.db2.gz CWCGPIOJGQLQFP-XVKPBYJWSA-N 1 2 230.239 -0.802 20 0 BBADLO O=C1CC[C@H]([N@@H+]2CC[C@@](F)(CO)C2)C(=O)N1 ZINC000802011780 586286129 /nfs/dbraw/zinc/28/61/29/586286129.db2.gz CWCGPIOJGQLQFP-XVKPBYJWSA-N 1 2 230.239 -0.802 20 0 BBADLO CC(=O)N[C@H](C)C(=O)OCCn1cc[nH+]c1 ZINC000802229136 586296586 /nfs/dbraw/zinc/29/65/86/586296586.db2.gz VYROKJVDLHLJMB-MRVPVSSYSA-N 1 2 225.248 -0.049 20 0 BBADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@H]1COCCO1 ZINC000802241674 586298546 /nfs/dbraw/zinc/29/85/46/586298546.db2.gz RNCQUORTEHXCIF-NXEZZACHSA-N 1 2 247.266 -0.011 20 0 BBADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@H]1COCCO1 ZINC000802241674 586298544 /nfs/dbraw/zinc/29/85/44/586298544.db2.gz RNCQUORTEHXCIF-NXEZZACHSA-N 1 2 247.266 -0.011 20 0 BBADLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@@H]1COCCO1 ZINC000802241675 586298578 /nfs/dbraw/zinc/29/85/78/586298578.db2.gz RNCQUORTEHXCIF-UWVGGRQHSA-N 1 2 247.266 -0.011 20 0 BBADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@@H]1COCCO1 ZINC000802241675 586298577 /nfs/dbraw/zinc/29/85/77/586298577.db2.gz RNCQUORTEHXCIF-UWVGGRQHSA-N 1 2 247.266 -0.011 20 0 BBADLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@H]1COCCO1 ZINC000802241676 586299286 /nfs/dbraw/zinc/29/92/86/586299286.db2.gz RNCQUORTEHXCIF-VHSXEESVSA-N 1 2 247.266 -0.011 20 0 BBADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@H]1COCCO1 ZINC000802241676 586299285 /nfs/dbraw/zinc/29/92/85/586299285.db2.gz RNCQUORTEHXCIF-VHSXEESVSA-N 1 2 247.266 -0.011 20 0 BBADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@@H]1COCCO1 ZINC000802241677 586298927 /nfs/dbraw/zinc/29/89/27/586298927.db2.gz RNCQUORTEHXCIF-ZJUUUORDSA-N 1 2 247.266 -0.011 20 0 BBADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@@H]1COCCO1 ZINC000802241677 586298925 /nfs/dbraw/zinc/29/89/25/586298925.db2.gz RNCQUORTEHXCIF-ZJUUUORDSA-N 1 2 247.266 -0.011 20 0 BBADLO COC(=O)COCC(=O)OCCn1cc[nH+]c1 ZINC000803804446 586375838 /nfs/dbraw/zinc/37/58/38/586375838.db2.gz TWCXXEXPXGIMSG-UHFFFAOYSA-N 1 2 242.231 -0.384 20 0 BBADLO Cn1ncc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)n1 ZINC000804331538 586391073 /nfs/dbraw/zinc/39/10/73/586391073.db2.gz BETNMKORNWTRDB-MRVPVSSYSA-N 1 2 246.274 -0.244 20 0 BBADLO Cn1ncc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)n1 ZINC000804331539 586391249 /nfs/dbraw/zinc/39/12/49/586391249.db2.gz BETNMKORNWTRDB-QMMMGPOBSA-N 1 2 246.274 -0.244 20 0 BBADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cnn[nH]1 ZINC000804332802 586391164 /nfs/dbraw/zinc/39/11/64/586391164.db2.gz BCEQHFJIJRJJKB-SSDOTTSWSA-N 1 2 232.247 -0.254 20 0 BBADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cn[nH]n1 ZINC000804332802 586391162 /nfs/dbraw/zinc/39/11/62/586391162.db2.gz BCEQHFJIJRJJKB-SSDOTTSWSA-N 1 2 232.247 -0.254 20 0 BBADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cnn[nH]1 ZINC000804332803 586391201 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585634315 /nfs/dbraw/zinc/63/43/15/585634315.db2.gz JRUIPLDIFGRPCO-SNVBAGLBSA-N 1 2 245.275 -0.534 20 0 BBADLO CC[N@H+]1CCO[C@@H](C(=O)OC[C@H](C)CO)C1 ZINC000805480159 585634796 /nfs/dbraw/zinc/63/47/96/585634796.db2.gz YNPAUTZIJQFEHF-NXEZZACHSA-N 1 2 231.292 -0.121 20 0 BBADLO CC[N@@H+]1CCO[C@@H](C(=O)OC[C@H](C)CO)C1 ZINC000805480159 585634795 /nfs/dbraw/zinc/63/47/95/585634795.db2.gz YNPAUTZIJQFEHF-NXEZZACHSA-N 1 2 231.292 -0.121 20 0 BBADLO CC[N@H+]1CCO[C@H](C(=O)OC[C@@H](C)CO)C1 ZINC000805480160 585634910 /nfs/dbraw/zinc/63/49/10/585634910.db2.gz YNPAUTZIJQFEHF-UWVGGRQHSA-N 1 2 231.292 -0.121 20 0 BBADLO CC[N@@H+]1CCO[C@H](C(=O)OC[C@@H](C)CO)C1 ZINC000805480160 585634909 /nfs/dbraw/zinc/63/49/09/585634909.db2.gz YNPAUTZIJQFEHF-UWVGGRQHSA-N 1 2 231.292 -0.121 20 0 BBADLO CC[N@H+]1CCO[C@@H](C(=O)OC[C@@H](C)CO)C1 ZINC000805480161 585634848 /nfs/dbraw/zinc/63/48/48/585634848.db2.gz YNPAUTZIJQFEHF-VHSXEESVSA-N 1 2 231.292 -0.121 20 0 BBADLO CC[N@@H+]1CCO[C@@H](C(=O)OC[C@@H](C)CO)C1 ZINC000805480161 585634847 /nfs/dbraw/zinc/63/48/47/585634847.db2.gz YNPAUTZIJQFEHF-VHSXEESVSA-N 1 2 231.292 -0.121 20 0 BBADLO CC[N@H+]1CCO[C@H](C(=O)OC[C@H](C)CO)C1 ZINC000805480162 585634928 /nfs/dbraw/zinc/63/49/28/585634928.db2.gz YNPAUTZIJQFEHF-ZJUUUORDSA-N 1 2 231.292 -0.121 20 0 BBADLO CC[N@@H+]1CCO[C@H](C(=O)OC[C@H](C)CO)C1 ZINC000805480162 585634927 /nfs/dbraw/zinc/63/49/27/585634927.db2.gz YNPAUTZIJQFEHF-ZJUUUORDSA-N 1 2 231.292 -0.121 20 0 BBADLO CC[N@H+]1CCO[C@H](C(=O)OC[C@@H](C)O)C1 ZINC000805480175 585634872 /nfs/dbraw/zinc/63/48/72/585634872.db2.gz YTSTVRBVCMMANN-BDAKNGLRSA-N 1 2 217.265 -0.369 20 0 BBADLO CC[N@@H+]1CCO[C@H](C(=O)OC[C@@H](C)O)C1 ZINC000805480175 585634871 /nfs/dbraw/zinc/63/48/71/585634871.db2.gz YTSTVRBVCMMANN-BDAKNGLRSA-N 1 2 217.265 -0.369 20 0 BBADLO CC[N@H+]1CCO[C@@H](C(=O)OC[C@H](C)O)C1 ZINC000805480176 585634907 /nfs/dbraw/zinc/63/49/07/585634907.db2.gz YTSTVRBVCMMANN-DTWKUNHWSA-N 1 2 217.265 -0.369 20 0 BBADLO CC[N@@H+]1CCO[C@@H](C(=O)OC[C@H](C)O)C1 ZINC000805480176 585634906 /nfs/dbraw/zinc/63/49/06/585634906.db2.gz YTSTVRBVCMMANN-DTWKUNHWSA-N 1 2 217.265 -0.369 20 0 BBADLO CC[N@H+]1CCO[C@H](C(=O)OC[C@H](C)O)C1 ZINC000805480177 585634841 /nfs/dbraw/zinc/63/48/41/585634841.db2.gz YTSTVRBVCMMANN-IUCAKERBSA-N 1 2 217.265 -0.369 20 0 BBADLO CC[N@@H+]1CCO[C@H](C(=O)OC[C@H](C)O)C1 ZINC000805480177 585634840 /nfs/dbraw/zinc/63/48/40/585634840.db2.gz YTSTVRBVCMMANN-IUCAKERBSA-N 1 2 217.265 -0.369 20 0 BBADLO CC[N@H+]1CCO[C@@H](C(=O)OC[C@@H](C)O)C1 ZINC000805480178 585634760 /nfs/dbraw/zinc/63/47/60/585634760.db2.gz YTSTVRBVCMMANN-RKDXNWHRSA-N 1 2 217.265 -0.369 20 0 BBADLO CC[N@@H+]1CCO[C@@H](C(=O)OC[C@@H](C)O)C1 ZINC000805480178 585634759 /nfs/dbraw/zinc/63/47/59/585634759.db2.gz YTSTVRBVCMMANN-RKDXNWHRSA-N 1 2 217.265 -0.369 20 0 BBADLO C[C@@H]1C[N@@H+](CCOC(=O)c2cn[nH]n2)CCO1 ZINC000805603266 585727867 /nfs/dbraw/zinc/72/78/67/585727867.db2.gz JWTTVERCVMFBNI-MRVPVSSYSA-N 1 2 240.263 -0.318 20 0 BBADLO C[C@H]1C[N@@H+](CCOC(=O)c2cn[nH]n2)CCO1 ZINC000805603271 585727989 /nfs/dbraw/zinc/72/79/89/585727989.db2.gz JWTTVERCVMFBNI-QMMMGPOBSA-N 1 2 240.263 -0.318 20 0 BBADLO O=C(OCCC[NH+]1CCOCC1)c1cn[nH]n1 ZINC000805604188 585730488 /nfs/dbraw/zinc/73/04/88/585730488.db2.gz YTLJBIKJEONXRF-UHFFFAOYSA-N 1 2 240.263 -0.316 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)OC(=O)c1cn[nH]n1 ZINC000805604866 585731359 /nfs/dbraw/zinc/73/13/59/585731359.db2.gz QSKLAKQIZDHWKS-MRVPVSSYSA-N 1 2 240.263 -0.318 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)c1cn[nH]n1 ZINC000805604867 585731239 /nfs/dbraw/zinc/73/12/39/585731239.db2.gz QSKLAKQIZDHWKS-QMMMGPOBSA-N 1 2 240.263 -0.318 20 0 BBADLO O=C(OCCn1cc[nH+]c1)c1cn[nH]n1 ZINC000805608055 585735352 /nfs/dbraw/zinc/73/53/52/585735352.db2.gz XBTCRLDUKPNTNE-UHFFFAOYSA-N 1 2 207.193 -0.142 20 0 BBADLO CON(C)C(=O)CC[N@@H+](C)Cc1nncn1C ZINC000805823443 585899760 /nfs/dbraw/zinc/89/97/60/585899760.db2.gz HPRKKFFOYNQSII-UHFFFAOYSA-N 1 2 241.295 -0.343 20 0 BBADLO CON(C)C(=O)CC[N@H+](C)Cc1nncn1C ZINC000805823443 585899759 /nfs/dbraw/zinc/89/97/59/585899759.db2.gz HPRKKFFOYNQSII-UHFFFAOYSA-N 1 2 241.295 -0.343 20 0 BBADLO CC(=O)O[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000805969230 585991440 /nfs/dbraw/zinc/99/14/40/585991440.db2.gz MBGLWTUJUPQIPA-SECBINFHSA-N 1 2 244.291 -0.614 20 0 BBADLO CC(=O)O[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000805969343 585991420 /nfs/dbraw/zinc/99/14/20/585991420.db2.gz MBGLWTUJUPQIPA-VIFPVBQESA-N 1 2 244.291 -0.614 20 0 BBADLO Cn1c[nH+]cc1CC(=O)NN1CCOCC1 ZINC000806368308 644852499 /nfs/dbraw/zinc/85/24/99/644852499.db2.gz JLKFQWRWAJHBMY-UHFFFAOYSA-N 1 2 224.264 -0.674 20 0 BBADLO CCN(CC(=O)NC)C(=O)CCc1[nH]cc[nH+]1 ZINC000806451672 586412847 /nfs/dbraw/zinc/41/28/47/586412847.db2.gz KJHBXGNLWSBFRG-UHFFFAOYSA-N 1 2 238.291 -0.063 20 0 BBADLO Cn1c[nH+]cc1CC(=O)NCC1(C)OCCO1 ZINC000807121289 586423829 /nfs/dbraw/zinc/42/38/29/586423829.db2.gz AJFNKBNQUKYECS-UHFFFAOYSA-N 1 2 239.275 -0.158 20 0 BBADLO O=C(CCc1[nH]cc[nH+]1)NN1CN=NC1=O ZINC000807186790 586425442 /nfs/dbraw/zinc/42/54/42/586425442.db2.gz VZQTWLYXOPBCDI-UHFFFAOYSA-N 1 2 222.208 -0.590 20 0 BBADLO Cn1c[nH+]cc1CC(=O)Nn1ccccc1=O ZINC000807198399 644862481 /nfs/dbraw/zinc/86/24/81/644862481.db2.gz KLHWDGKBCYYWDL-UHFFFAOYSA-N 1 2 232.243 -0.105 20 0 BBADLO Cc1[nH]c(C(=O)NCc2cnnn2C)c[nH+]1 ZINC000807892702 586450152 /nfs/dbraw/zinc/45/01/52/586450152.db2.gz OFDJQILNFCBSGV-UHFFFAOYSA-N 1 2 220.236 -0.223 20 0 BBADLO Cc1[nH]c(C(=O)NCCn2cnnn2)c[nH+]1 ZINC000807919614 586451484 /nfs/dbraw/zinc/45/14/84/586451484.db2.gz IKUWLPKSGXTLFD-UHFFFAOYSA-N 1 2 221.224 -0.865 20 0 BBADLO CNC(=O)[C@H](O)CNc1cc[nH+]c2ccncc12 ZINC000808048004 586460394 /nfs/dbraw/zinc/46/03/94/586460394.db2.gz ZUPHXZASNSAERP-LLVKDONJSA-N 1 2 246.270 -0.430 20 0 BBADLO CNC(=O)[C@@H](O)CNc1cc[nH+]c2ccncc12 ZINC000808048005 586460599 /nfs/dbraw/zinc/46/05/99/586460599.db2.gz ZUPHXZASNSAERP-NSHDSACASA-N 1 2 246.270 -0.430 20 0 BBADLO C[C@H](C(=O)O[C@H]1CNOC1)[NH+]1CCSCC1 ZINC000808091523 586463349 /nfs/dbraw/zinc/46/33/49/586463349.db2.gz LHNPDUQUZIHXPB-BDAKNGLRSA-N 1 2 246.332 -0.130 20 0 BBADLO C[C@@H](C(=O)O[C@H]1CNOC1)[NH+]1CCSCC1 ZINC000808091536 586463613 /nfs/dbraw/zinc/46/36/13/586463613.db2.gz LHNPDUQUZIHXPB-IUCAKERBSA-N 1 2 246.332 -0.130 20 0 BBADLO CC(F)(F)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000808465462 586474094 /nfs/dbraw/zinc/47/40/94/586474094.db2.gz RNZJPWHMMGJDBE-UHFFFAOYSA-N 1 2 249.261 -0.420 20 0 BBADLO CC(F)(F)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000808465462 586474092 /nfs/dbraw/zinc/47/40/92/586474092.db2.gz RNZJPWHMMGJDBE-UHFFFAOYSA-N 1 2 249.261 -0.420 20 0 BBADLO Cn1cc(C(=O)OCCn2cc[nH+]c2)nn1 ZINC000808662823 586481873 /nfs/dbraw/zinc/48/18/73/586481873.db2.gz NRMCNWBDOVBELE-UHFFFAOYSA-N 1 2 221.220 -0.131 20 0 BBADLO CC(C)C(=O)CC[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000808715063 586483726 /nfs/dbraw/zinc/48/37/26/586483726.db2.gz HOTQGKQQFFZWDP-JTQLQIEISA-N 1 2 228.292 -0.212 20 0 BBADLO CC(C)C(=O)CC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000808715063 586483725 /nfs/dbraw/zinc/48/37/25/586483725.db2.gz HOTQGKQQFFZWDP-JTQLQIEISA-N 1 2 228.292 -0.212 20 0 BBADLO CC(C)C(=O)CC[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000808715064 586483740 /nfs/dbraw/zinc/48/37/40/586483740.db2.gz HOTQGKQQFFZWDP-SNVBAGLBSA-N 1 2 228.292 -0.212 20 0 BBADLO CC(C)C(=O)CC[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000808715064 586483739 /nfs/dbraw/zinc/48/37/39/586483739.db2.gz HOTQGKQQFFZWDP-SNVBAGLBSA-N 1 2 228.292 -0.212 20 0 BBADLO COC(=O)[C@@H]([NH2+]CCC(=O)N(C)OC)C1CC1 ZINC000808748998 586487280 /nfs/dbraw/zinc/48/72/80/586487280.db2.gz IETXUIOYTOKDKC-JTQLQIEISA-N 1 2 244.291 -0.063 20 0 BBADLO COC(=O)[C@H]([NH2+]CCC(=O)N(C)OC)C1CC1 ZINC000808748999 586487093 /nfs/dbraw/zinc/48/70/93/586487093.db2.gz IETXUIOYTOKDKC-SNVBAGLBSA-N 1 2 244.291 -0.063 20 0 BBADLO CON(C)C(=O)CC[NH2+][C@H](C)c1ncn(C)n1 ZINC000808749282 586305423 /nfs/dbraw/zinc/30/54/23/586305423.db2.gz QGHCJCMZYTUQCT-MRVPVSSYSA-N 1 2 241.295 -0.124 20 0 BBADLO CON(C)C(=O)CC[NH2+][C@@H](C)c1ncn(C)n1 ZINC000808749283 586305150 /nfs/dbraw/zinc/30/51/50/586305150.db2.gz QGHCJCMZYTUQCT-QMMMGPOBSA-N 1 2 241.295 -0.124 20 0 BBADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCN1CCNC1=O ZINC000808749577 586304999 /nfs/dbraw/zinc/30/49/99/586304999.db2.gz BBSYGALKDVQWPG-SECBINFHSA-N 1 2 240.307 -0.826 20 0 BBADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCN1CCNC1=O ZINC000808749577 586304997 /nfs/dbraw/zinc/30/49/97/586304997.db2.gz BBSYGALKDVQWPG-SECBINFHSA-N 1 2 240.307 -0.826 20 0 BBADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCN1CCNC1=O ZINC000808749578 586305795 /nfs/dbraw/zinc/30/57/95/586305795.db2.gz BBSYGALKDVQWPG-VIFPVBQESA-N 1 2 240.307 -0.826 20 0 BBADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCN1CCNC1=O ZINC000808749578 586305793 /nfs/dbraw/zinc/30/57/93/586305793.db2.gz BBSYGALKDVQWPG-VIFPVBQESA-N 1 2 240.307 -0.826 20 0 BBADLO COC(=O)[C@](C)(O)C[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000808749791 586487106 /nfs/dbraw/zinc/48/71/06/586487106.db2.gz FHEBCTBMODZJKX-GZMMTYOYSA-N 1 2 244.291 -0.927 20 0 BBADLO COC(=O)[C@](C)(O)C[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000808749791 586487104 /nfs/dbraw/zinc/48/71/04/586487104.db2.gz FHEBCTBMODZJKX-GZMMTYOYSA-N 1 2 244.291 -0.927 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000808749792 586487552 /nfs/dbraw/zinc/48/75/52/586487552.db2.gz FHEBCTBMODZJKX-KCJUWKMLSA-N 1 2 244.291 -0.927 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000808749792 586487550 /nfs/dbraw/zinc/48/75/50/586487550.db2.gz FHEBCTBMODZJKX-KCJUWKMLSA-N 1 2 244.291 -0.927 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000808749793 586487398 /nfs/dbraw/zinc/48/73/98/586487398.db2.gz FHEBCTBMODZJKX-KWQFWETISA-N 1 2 244.291 -0.927 20 0 BBADLO COC(=O)[C@@](C)(O)C[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000808749793 586487397 /nfs/dbraw/zinc/48/73/97/586487397.db2.gz FHEBCTBMODZJKX-KWQFWETISA-N 1 2 244.291 -0.927 20 0 BBADLO COC(=O)[C@](C)(O)C[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000808749794 586487447 /nfs/dbraw/zinc/48/74/47/586487447.db2.gz FHEBCTBMODZJKX-LDYMZIIASA-N 1 2 244.291 -0.927 20 0 BBADLO COC(=O)[C@](C)(O)C[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000808749794 586487446 /nfs/dbraw/zinc/48/74/46/586487446.db2.gz FHEBCTBMODZJKX-LDYMZIIASA-N 1 2 244.291 -0.927 20 0 BBADLO CC(C)COC(=O)C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000808749923 586487320 /nfs/dbraw/zinc/48/73/20/586487320.db2.gz FCYOIRZMCDJXTE-GHMZBOCLSA-N 1 2 245.319 -0.139 20 0 BBADLO CC(C)COC(=O)C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000808749923 586487318 /nfs/dbraw/zinc/48/73/18/586487318.db2.gz FCYOIRZMCDJXTE-GHMZBOCLSA-N 1 2 245.319 -0.139 20 0 BBADLO CC(C)COC(=O)C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000808749924 586487307 /nfs/dbraw/zinc/48/73/07/586487307.db2.gz FCYOIRZMCDJXTE-MNOVXSKESA-N 1 2 245.319 -0.139 20 0 BBADLO CC(C)COC(=O)C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000808749924 586487305 /nfs/dbraw/zinc/48/73/05/586487305.db2.gz FCYOIRZMCDJXTE-MNOVXSKESA-N 1 2 245.319 -0.139 20 0 BBADLO CC(C)COC(=O)C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000808749925 586487180 /nfs/dbraw/zinc/48/71/80/586487180.db2.gz FCYOIRZMCDJXTE-QWRGUYRKSA-N 1 2 245.319 -0.139 20 0 BBADLO CC(C)COC(=O)C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000808749925 586487177 /nfs/dbraw/zinc/48/71/77/586487177.db2.gz FCYOIRZMCDJXTE-QWRGUYRKSA-N 1 2 245.319 -0.139 20 0 BBADLO CC(C)COC(=O)C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000808749926 586487388 /nfs/dbraw/zinc/48/73/88/586487388.db2.gz FCYOIRZMCDJXTE-WDEREUQCSA-N 1 2 245.319 -0.139 20 0 BBADLO CC(C)COC(=O)C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000808749926 586487387 /nfs/dbraw/zinc/48/73/87/586487387.db2.gz FCYOIRZMCDJXTE-WDEREUQCSA-N 1 2 245.319 -0.139 20 0 BBADLO Cc1nonc1C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000808750262 586488451 /nfs/dbraw/zinc/48/84/51/586488451.db2.gz HIIHFKJJWVZKHU-PSASIEDQSA-N 1 2 227.264 -0.447 20 0 BBADLO Cc1nonc1C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000808750262 586488450 /nfs/dbraw/zinc/48/84/50/586488450.db2.gz HIIHFKJJWVZKHU-PSASIEDQSA-N 1 2 227.264 -0.447 20 0 BBADLO Cc1nonc1C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000808750263 586488400 /nfs/dbraw/zinc/48/84/00/586488400.db2.gz HIIHFKJJWVZKHU-SCZZXKLOSA-N 1 2 227.264 -0.447 20 0 BBADLO Cc1nonc1C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000808750263 586488398 /nfs/dbraw/zinc/48/83/98/586488398.db2.gz HIIHFKJJWVZKHU-SCZZXKLOSA-N 1 2 227.264 -0.447 20 0 BBADLO Cc1nonc1C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000808750264 586487864 /nfs/dbraw/zinc/48/78/64/586487864.db2.gz HIIHFKJJWVZKHU-WCBMZHEXSA-N 1 2 227.264 -0.447 20 0 BBADLO Cc1nonc1C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000808750264 586487862 /nfs/dbraw/zinc/48/78/62/586487862.db2.gz HIIHFKJJWVZKHU-WCBMZHEXSA-N 1 2 227.264 -0.447 20 0 BBADLO Cc1nonc1C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000808750265 586487892 /nfs/dbraw/zinc/48/78/92/586487892.db2.gz HIIHFKJJWVZKHU-WPRPVWTQSA-N 1 2 227.264 -0.447 20 0 BBADLO Cc1nonc1C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000808750265 586487890 /nfs/dbraw/zinc/48/78/90/586487890.db2.gz HIIHFKJJWVZKHU-WPRPVWTQSA-N 1 2 227.264 -0.447 20 0 BBADLO CON(C)C(=O)CC[N@H+]1CCc2n[nH]nc2C1 ZINC000808750362 586488499 /nfs/dbraw/zinc/48/84/99/586488499.db2.gz MIRDZLKNKPROIG-UHFFFAOYSA-N 1 2 239.279 -0.427 20 0 BBADLO CON(C)C(=O)CC[N@@H+]1CCc2n[nH]nc2C1 ZINC000808750362 586488498 /nfs/dbraw/zinc/48/84/98/586488498.db2.gz MIRDZLKNKPROIG-UHFFFAOYSA-N 1 2 239.279 -0.427 20 0 BBADLO O=C1NCCN1CC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000808757149 586306063 /nfs/dbraw/zinc/30/60/63/586306063.db2.gz FLVVGGRSDZHWLB-MRVPVSSYSA-N 1 2 249.261 -0.023 20 0 BBADLO O=C1NCCN1CC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000808757149 586306061 /nfs/dbraw/zinc/30/60/61/586306061.db2.gz FLVVGGRSDZHWLB-MRVPVSSYSA-N 1 2 249.261 -0.023 20 0 BBADLO O=C1NCCN1CC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000808757150 586306424 /nfs/dbraw/zinc/30/64/24/586306424.db2.gz FLVVGGRSDZHWLB-QMMMGPOBSA-N 1 2 249.261 -0.023 20 0 BBADLO O=C1NCCN1CC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000808757150 586306422 /nfs/dbraw/zinc/30/64/22/586306422.db2.gz FLVVGGRSDZHWLB-QMMMGPOBSA-N 1 2 249.261 -0.023 20 0 BBADLO COCCOCC[N@@H+](C)[C@@H]1CCOC1=O ZINC000808791732 586490393 /nfs/dbraw/zinc/49/03/93/586490393.db2.gz MADJQGUCOXUUHH-SECBINFHSA-N 1 2 217.265 -0.103 20 0 BBADLO COCCOCC[N@H+](C)[C@@H]1CCOC1=O ZINC000808791732 586490392 /nfs/dbraw/zinc/49/03/92/586490392.db2.gz MADJQGUCOXUUHH-SECBINFHSA-N 1 2 217.265 -0.103 20 0 BBADLO COCCOCC[N@@H+](C)[C@H]1CCOC1=O ZINC000808791733 586490067 /nfs/dbraw/zinc/49/00/67/586490067.db2.gz MADJQGUCOXUUHH-VIFPVBQESA-N 1 2 217.265 -0.103 20 0 BBADLO COCCOCC[N@H+](C)[C@H]1CCOC1=O ZINC000808791733 586490065 /nfs/dbraw/zinc/49/00/65/586490065.db2.gz MADJQGUCOXUUHH-VIFPVBQESA-N 1 2 217.265 -0.103 20 0 BBADLO Cn1cc(C(=O)OCc2c[nH+]cn2C)nn1 ZINC000808990589 586491538 /nfs/dbraw/zinc/49/15/38/586491538.db2.gz WNSLWDBZYSCXLX-UHFFFAOYSA-N 1 2 221.220 -0.094 20 0 BBADLO C[N@@H+](CCc1cn[nH]c1)CCS(C)(=O)=O ZINC000809573456 644891331 /nfs/dbraw/zinc/89/13/31/644891331.db2.gz MGZBMUDLTJFSIL-UHFFFAOYSA-N 1 2 231.321 -0.071 20 0 BBADLO C[N@H+](CCc1cn[nH]c1)CCS(C)(=O)=O ZINC000809573456 644891329 /nfs/dbraw/zinc/89/13/29/644891329.db2.gz MGZBMUDLTJFSIL-UHFFFAOYSA-N 1 2 231.321 -0.071 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)CCO1 ZINC000809625579 586509704 /nfs/dbraw/zinc/50/97/04/586509704.db2.gz KYOSWXGMWNHLAB-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)CCO1 ZINC000809625579 586509703 /nfs/dbraw/zinc/50/97/03/586509703.db2.gz KYOSWXGMWNHLAB-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@H]1CN(C(=O)C[N@H+]2CCO[C@@H](C)C2)CCO1 ZINC000809625580 586509854 /nfs/dbraw/zinc/50/98/54/586509854.db2.gz KYOSWXGMWNHLAB-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@H]1CN(C(=O)C[N@@H+]2CCO[C@@H](C)C2)CCO1 ZINC000809625580 586509852 /nfs/dbraw/zinc/50/98/52/586509852.db2.gz KYOSWXGMWNHLAB-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO CN(C1CC1)S(=O)(=O)NCc1c[nH+]cn1C ZINC000809850246 586521520 /nfs/dbraw/zinc/52/15/20/586521520.db2.gz AQWQDLKNEZAECY-UHFFFAOYSA-N 1 2 244.320 -0.151 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)N=c1nc[nH]n1C ZINC000809883076 586522265 /nfs/dbraw/zinc/52/22/65/586522265.db2.gz FGPDCMDILODAKV-UHFFFAOYSA-N 1 2 235.251 -0.708 20 0 BBADLO Cn1cc[nH+]c1CNC(=O)Nc1cnnn1C ZINC000809906801 586523386 /nfs/dbraw/zinc/52/33/86/586523386.db2.gz XKGJVHBPVNSESS-UHFFFAOYSA-N 1 2 235.251 -0.130 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)Nc1cnnn1C ZINC000809906955 586523427 /nfs/dbraw/zinc/52/34/27/586523427.db2.gz UPQUIQZLVGWTKV-UHFFFAOYSA-N 1 2 235.251 -0.130 20 0 BBADLO COCC[NH+](CCOC)Cc1cnn(C)n1 ZINC000809931937 586524088 /nfs/dbraw/zinc/52/40/88/586524088.db2.gz PLUZZXKBULNGIF-UHFFFAOYSA-N 1 2 228.296 -0.090 20 0 BBADLO Cn1ncc(C[NH+]2CCC(CC(N)=O)CC2)n1 ZINC000809935981 586524711 /nfs/dbraw/zinc/52/47/11/586524711.db2.gz OSKXVFXONJRKSP-UHFFFAOYSA-N 1 2 237.307 -0.098 20 0 BBADLO CC(=O)N[C@H]1CCC[N@H+](Cc2cnn(C)n2)C1 ZINC000809936246 586524681 /nfs/dbraw/zinc/52/46/81/586524681.db2.gz TYXVNPJXBWNZCS-JTQLQIEISA-N 1 2 237.307 -0.084 20 0 BBADLO CC(=O)N[C@H]1CCC[N@@H+](Cc2cnn(C)n2)C1 ZINC000809936246 586524679 /nfs/dbraw/zinc/52/46/79/586524679.db2.gz TYXVNPJXBWNZCS-JTQLQIEISA-N 1 2 237.307 -0.084 20 0 BBADLO CC(=O)N[C@@H]1CCC[N@H+](Cc2cnn(C)n2)C1 ZINC000809936247 586524377 /nfs/dbraw/zinc/52/43/77/586524377.db2.gz TYXVNPJXBWNZCS-SNVBAGLBSA-N 1 2 237.307 -0.084 20 0 BBADLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cnn(C)n2)C1 ZINC000809936247 586524376 /nfs/dbraw/zinc/52/43/76/586524376.db2.gz TYXVNPJXBWNZCS-SNVBAGLBSA-N 1 2 237.307 -0.084 20 0 BBADLO CNC(=O)CC[N@@H+](C)Cc1cnn(C)n1 ZINC000809940503 586524265 /nfs/dbraw/zinc/52/42/65/586524265.db2.gz KTOANNORGKEPDU-UHFFFAOYSA-N 1 2 211.269 -0.617 20 0 BBADLO CNC(=O)CC[N@H+](C)Cc1cnn(C)n1 ZINC000809940503 586524263 /nfs/dbraw/zinc/52/42/63/586524263.db2.gz KTOANNORGKEPDU-UHFFFAOYSA-N 1 2 211.269 -0.617 20 0 BBADLO CN(CC[NH+]1CCOCC1)Cc1cnn(C)n1 ZINC000809942954 586524970 /nfs/dbraw/zinc/52/49/70/586524970.db2.gz QTFQCSWOLWHXDO-UHFFFAOYSA-N 1 2 239.323 -0.421 20 0 BBADLO Cn1ncc(C[N@H+]2CCC[C@@H](OCCO)C2)n1 ZINC000809947400 586525221 /nfs/dbraw/zinc/52/52/21/586525221.db2.gz IFTUJNHTANIRSB-LLVKDONJSA-N 1 2 240.307 -0.212 20 0 BBADLO Cn1ncc(C[N@@H+]2CCC[C@@H](OCCO)C2)n1 ZINC000809947400 586525220 /nfs/dbraw/zinc/52/52/20/586525220.db2.gz IFTUJNHTANIRSB-LLVKDONJSA-N 1 2 240.307 -0.212 20 0 BBADLO Cn1ncc(C[N@H+]2CCC[C@H](OCCO)C2)n1 ZINC000809947401 586525233 /nfs/dbraw/zinc/52/52/33/586525233.db2.gz IFTUJNHTANIRSB-NSHDSACASA-N 1 2 240.307 -0.212 20 0 BBADLO Cn1ncc(C[N@@H+]2CCC[C@H](OCCO)C2)n1 ZINC000809947401 586525232 /nfs/dbraw/zinc/52/52/32/586525232.db2.gz IFTUJNHTANIRSB-NSHDSACASA-N 1 2 240.307 -0.212 20 0 BBADLO CNC(=O)C1([NH2+]Cc2cnn(C)n2)CCCC1 ZINC000809962409 586526780 /nfs/dbraw/zinc/52/67/80/586526780.db2.gz DOGCEHSUSRUGDW-UHFFFAOYSA-N 1 2 237.307 -0.037 20 0 BBADLO COCC1(O)CC[NH+](Cc2cnn(C)n2)CC1 ZINC000809967041 586527128 /nfs/dbraw/zinc/52/71/28/586527128.db2.gz XMCHGJDVVRBPMU-UHFFFAOYSA-N 1 2 240.307 -0.212 20 0 BBADLO Cn1ncc(C[N@@H+](C)[C@]2(CO)CCOC2)n1 ZINC000809973873 586527864 /nfs/dbraw/zinc/52/78/64/586527864.db2.gz DAJFTTFECPOVTR-JTQLQIEISA-N 1 2 226.280 -0.602 20 0 BBADLO Cn1ncc(C[N@H+](C)[C@]2(CO)CCOC2)n1 ZINC000809973873 586527863 /nfs/dbraw/zinc/52/78/63/586527863.db2.gz DAJFTTFECPOVTR-JTQLQIEISA-N 1 2 226.280 -0.602 20 0 BBADLO Cn1ncc(C[N@@H+](C)[C@@]2(CO)CCOC2)n1 ZINC000809973874 586528406 /nfs/dbraw/zinc/52/84/06/586528406.db2.gz DAJFTTFECPOVTR-SNVBAGLBSA-N 1 2 226.280 -0.602 20 0 BBADLO Cn1ncc(C[N@H+](C)[C@@]2(CO)CCOC2)n1 ZINC000809973874 586528404 /nfs/dbraw/zinc/52/84/04/586528404.db2.gz DAJFTTFECPOVTR-SNVBAGLBSA-N 1 2 226.280 -0.602 20 0 BBADLO O=c1n(CC[NH+]2CCOCC2)nnn1C1CC1 ZINC000809976803 586527953 /nfs/dbraw/zinc/52/79/53/586527953.db2.gz WDVSBDFQBXKQBX-UHFFFAOYSA-N 1 2 239.279 -0.893 20 0 BBADLO C[C@H](CO)[N@H+](Cc1cnn(C)n1)C[C@H](C)O ZINC000809985194 586528678 /nfs/dbraw/zinc/52/86/78/586528678.db2.gz ICAGGPBVGGONJD-BDAKNGLRSA-N 1 2 228.296 -0.621 20 0 BBADLO C[C@H](CO)[N@@H+](Cc1cnn(C)n1)C[C@H](C)O ZINC000809985194 586528677 /nfs/dbraw/zinc/52/86/77/586528677.db2.gz ICAGGPBVGGONJD-BDAKNGLRSA-N 1 2 228.296 -0.621 20 0 BBADLO C[C@@H](O)C[N@@H+](Cc1cnn(C)n1)[C@@H](C)CO ZINC000809985195 586528613 /nfs/dbraw/zinc/52/86/13/586528613.db2.gz ICAGGPBVGGONJD-DTWKUNHWSA-N 1 2 228.296 -0.621 20 0 BBADLO C[C@@H](O)C[N@H+](Cc1cnn(C)n1)[C@@H](C)CO ZINC000809985195 586528612 /nfs/dbraw/zinc/52/86/12/586528612.db2.gz ICAGGPBVGGONJD-DTWKUNHWSA-N 1 2 228.296 -0.621 20 0 BBADLO C[C@H](O)C[N@@H+](Cc1cnn(C)n1)[C@@H](C)CO ZINC000809985196 586529028 /nfs/dbraw/zinc/52/90/28/586529028.db2.gz ICAGGPBVGGONJD-IUCAKERBSA-N 1 2 228.296 -0.621 20 0 BBADLO C[C@H](O)C[N@H+](Cc1cnn(C)n1)[C@@H](C)CO ZINC000809985196 586529026 /nfs/dbraw/zinc/52/90/26/586529026.db2.gz ICAGGPBVGGONJD-IUCAKERBSA-N 1 2 228.296 -0.621 20 0 BBADLO C[C@@H](O)C[N@@H+](Cc1cnn(C)n1)[C@H](C)CO ZINC000809985213 586528766 /nfs/dbraw/zinc/52/87/66/586528766.db2.gz ICAGGPBVGGONJD-RKDXNWHRSA-N 1 2 228.296 -0.621 20 0 BBADLO C[C@@H](O)C[N@H+](Cc1cnn(C)n1)[C@H](C)CO ZINC000809985213 586528765 /nfs/dbraw/zinc/52/87/65/586528765.db2.gz ICAGGPBVGGONJD-RKDXNWHRSA-N 1 2 228.296 -0.621 20 0 BBADLO Cn1ncc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)n1 ZINC000809985221 586528785 /nfs/dbraw/zinc/52/87/85/586528785.db2.gz IDTCTEJFNSEQJF-SCZZXKLOSA-N 1 2 208.265 -0.371 20 0 BBADLO Cn1ncc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)n1 ZINC000809985221 586528784 /nfs/dbraw/zinc/52/87/84/586528784.db2.gz IDTCTEJFNSEQJF-SCZZXKLOSA-N 1 2 208.265 -0.371 20 0 BBADLO Cn1ncc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)n1 ZINC000809985222 586528796 /nfs/dbraw/zinc/52/87/96/586528796.db2.gz IDTCTEJFNSEQJF-WCBMZHEXSA-N 1 2 208.265 -0.371 20 0 BBADLO Cn1ncc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)n1 ZINC000809985222 586528794 /nfs/dbraw/zinc/52/87/94/586528794.db2.gz IDTCTEJFNSEQJF-WCBMZHEXSA-N 1 2 208.265 -0.371 20 0 BBADLO COCCC[N@@H+](CCO)Cc1cnn(C)n1 ZINC000809985483 586528823 /nfs/dbraw/zinc/52/88/23/586528823.db2.gz LUUVCMKDLWNKTM-UHFFFAOYSA-N 1 2 228.296 -0.354 20 0 BBADLO COCCC[N@H+](CCO)Cc1cnn(C)n1 ZINC000809985483 586528822 /nfs/dbraw/zinc/52/88/22/586528822.db2.gz LUUVCMKDLWNKTM-UHFFFAOYSA-N 1 2 228.296 -0.354 20 0 BBADLO Cn1ncc(C[N@H+]2CCc3nn[nH]c3C2)n1 ZINC000809985611 586529113 /nfs/dbraw/zinc/52/91/13/586529113.db2.gz QXXAHDNLPHDWRW-UHFFFAOYSA-N 1 2 219.252 -0.509 20 0 BBADLO Cn1ncc(C[N@@H+]2CCc3nn[nH]c3C2)n1 ZINC000809985611 586529111 /nfs/dbraw/zinc/52/91/11/586529111.db2.gz QXXAHDNLPHDWRW-UHFFFAOYSA-N 1 2 219.252 -0.509 20 0 BBADLO CO[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@@H]1OC ZINC000809987090 586528780 /nfs/dbraw/zinc/52/87/80/586528780.db2.gz QTFAOPZMVPIUSQ-AOOOYVTPSA-N 1 2 226.280 -0.339 20 0 BBADLO CO[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@@H]1OC ZINC000809987090 586528779 /nfs/dbraw/zinc/52/87/79/586528779.db2.gz QTFAOPZMVPIUSQ-AOOOYVTPSA-N 1 2 226.280 -0.339 20 0 BBADLO CC(C)OCC(N)=[NH+]OCC(=O)N(C)C ZINC000809995918 586529138 /nfs/dbraw/zinc/52/91/38/586529138.db2.gz YGEBPYPKQQYDSP-UHFFFAOYSA-N 1 2 217.269 -0.002 20 0 BBADLO CO[C@@H](C)C(N)=[NH+]OCc1cnn(C)n1 ZINC000809996204 586529886 /nfs/dbraw/zinc/52/98/86/586529886.db2.gz ATIXAQCEVXRCCT-LURJTMIESA-N 1 2 213.241 -0.152 20 0 BBADLO CO[C@H](C)C(N)=[NH+]OCc1cnn(C)n1 ZINC000809996205 586530151 /nfs/dbraw/zinc/53/01/51/586530151.db2.gz ATIXAQCEVXRCCT-ZCFIWIBFSA-N 1 2 213.241 -0.152 20 0 BBADLO CO[C@H](C)C(N)=[NH+]OCc1nnn(C)n1 ZINC000809996219 586530069 /nfs/dbraw/zinc/53/00/69/586530069.db2.gz BCNQXXMWMLEGEZ-RXMQYKEDSA-N 1 2 214.229 -0.757 20 0 BBADLO CO[C@@H](C)C(N)=[NH+]OCc1nnn(C)n1 ZINC000809996220 586529762 /nfs/dbraw/zinc/52/97/62/586529762.db2.gz BCNQXXMWMLEGEZ-YFKPBYRVSA-N 1 2 214.229 -0.757 20 0 BBADLO CO[C@@H](C)C(N)=[NH+]OCC(=O)N(C)C ZINC000809996882 586530203 /nfs/dbraw/zinc/53/02/03/586530203.db2.gz MEMKNANDJNHTOO-LURJTMIESA-N 1 2 203.242 -0.392 20 0 BBADLO CO[C@H](C)C(N)=[NH+]OCC(=O)N(C)C ZINC000809996884 586529973 /nfs/dbraw/zinc/52/99/73/586529973.db2.gz MEMKNANDJNHTOO-ZCFIWIBFSA-N 1 2 203.242 -0.392 20 0 BBADLO CO[C@@H](C)C(N)=[NH+]OCc1cnnn1C ZINC000809997230 586529750 /nfs/dbraw/zinc/52/97/50/586529750.db2.gz XRDMCVQNSBAULD-LURJTMIESA-N 1 2 213.241 -0.152 20 0 BBADLO CO[C@H](C)C(N)=[NH+]OCc1cnnn1C ZINC000809997232 586530038 /nfs/dbraw/zinc/53/00/38/586530038.db2.gz XRDMCVQNSBAULD-ZCFIWIBFSA-N 1 2 213.241 -0.152 20 0 BBADLO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1cnn(C)n1 ZINC000809997487 586530172 /nfs/dbraw/zinc/53/01/72/586530172.db2.gz ASSBUSGABILBJV-GXSJLCMTSA-N 1 2 240.307 -0.213 20 0 BBADLO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1cnn(C)n1 ZINC000809997487 586530171 /nfs/dbraw/zinc/53/01/71/586530171.db2.gz ASSBUSGABILBJV-GXSJLCMTSA-N 1 2 240.307 -0.213 20 0 BBADLO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cnn(C)n1 ZINC000809997488 586529498 /nfs/dbraw/zinc/52/94/98/586529498.db2.gz ASSBUSGABILBJV-KOLCDFICSA-N 1 2 240.307 -0.213 20 0 BBADLO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1cnn(C)n1 ZINC000809997488 586529497 /nfs/dbraw/zinc/52/94/97/586529497.db2.gz ASSBUSGABILBJV-KOLCDFICSA-N 1 2 240.307 -0.213 20 0 BBADLO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1cnn(C)n1 ZINC000809997489 586529957 /nfs/dbraw/zinc/52/99/57/586529957.db2.gz ASSBUSGABILBJV-MWLCHTKSSA-N 1 2 240.307 -0.213 20 0 BBADLO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1cnn(C)n1 ZINC000809997489 586529955 /nfs/dbraw/zinc/52/99/55/586529955.db2.gz ASSBUSGABILBJV-MWLCHTKSSA-N 1 2 240.307 -0.213 20 0 BBADLO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cnn(C)n1 ZINC000809997490 586530019 /nfs/dbraw/zinc/53/00/19/586530019.db2.gz ASSBUSGABILBJV-ONGXEEELSA-N 1 2 240.307 -0.213 20 0 BBADLO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1cnn(C)n1 ZINC000809997490 586530017 /nfs/dbraw/zinc/53/00/17/586530017.db2.gz ASSBUSGABILBJV-ONGXEEELSA-N 1 2 240.307 -0.213 20 0 BBADLO Cn1nnc(CO[NH+]=C(N)Cc2cccnc2)n1 ZINC000809998062 586530144 /nfs/dbraw/zinc/53/01/44/586530144.db2.gz LAZATTJGGWHZNU-UHFFFAOYSA-N 1 2 247.262 -0.154 20 0 BBADLO Cn1ncc(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)n1 ZINC000809998953 586529920 /nfs/dbraw/zinc/52/99/20/586529920.db2.gz XSKXIYLCKHSOEB-LLVKDONJSA-N 1 2 235.291 -0.473 20 0 BBADLO Cn1ncc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)n1 ZINC000809998953 586529918 /nfs/dbraw/zinc/52/99/18/586529918.db2.gz XSKXIYLCKHSOEB-LLVKDONJSA-N 1 2 235.291 -0.473 20 0 BBADLO Cn1ncc(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)n1 ZINC000809998956 586529981 /nfs/dbraw/zinc/52/99/81/586529981.db2.gz XSKXIYLCKHSOEB-NSHDSACASA-N 1 2 235.291 -0.473 20 0 BBADLO Cn1ncc(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)n1 ZINC000809998956 586529980 /nfs/dbraw/zinc/52/99/80/586529980.db2.gz XSKXIYLCKHSOEB-NSHDSACASA-N 1 2 235.291 -0.473 20 0 BBADLO CN(C)C(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000810015567 586531327 /nfs/dbraw/zinc/53/13/27/586531327.db2.gz ORCSHFBOIZMRFQ-SSDOTTSWSA-N 1 2 215.253 -0.248 20 0 BBADLO CN(C)C(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000810015569 586531445 /nfs/dbraw/zinc/53/14/45/586531445.db2.gz ORCSHFBOIZMRFQ-ZETCQYMHSA-N 1 2 215.253 -0.248 20 0 BBADLO COCCOCC[N@@H+](C)Cc1cnn(C)n1 ZINC000810019674 586531567 /nfs/dbraw/zinc/53/15/67/586531567.db2.gz NYPBTBMQGJXSTM-UHFFFAOYSA-N 1 2 228.296 -0.090 20 0 BBADLO COCCOCC[N@H+](C)Cc1cnn(C)n1 ZINC000810019674 586531565 /nfs/dbraw/zinc/53/15/65/586531565.db2.gz NYPBTBMQGJXSTM-UHFFFAOYSA-N 1 2 228.296 -0.090 20 0 BBADLO CC(C)COC(=O)C[N@@H+](CCO)C[C@H](C)O ZINC000810040000 586532244 /nfs/dbraw/zinc/53/22/44/586532244.db2.gz LNJPCFFHOVKEJI-JTQLQIEISA-N 1 2 233.308 -0.139 20 0 BBADLO CC(C)COC(=O)C[N@H+](CCO)C[C@H](C)O ZINC000810040000 586532242 /nfs/dbraw/zinc/53/22/42/586532242.db2.gz LNJPCFFHOVKEJI-JTQLQIEISA-N 1 2 233.308 -0.139 20 0 BBADLO CC(C)COC(=O)C[N@@H+](CCO)C[C@@H](C)O ZINC000810040001 586532233 /nfs/dbraw/zinc/53/22/33/586532233.db2.gz LNJPCFFHOVKEJI-SNVBAGLBSA-N 1 2 233.308 -0.139 20 0 BBADLO CC(C)COC(=O)C[N@H+](CCO)C[C@@H](C)O ZINC000810040001 586532231 /nfs/dbraw/zinc/53/22/31/586532231.db2.gz LNJPCFFHOVKEJI-SNVBAGLBSA-N 1 2 233.308 -0.139 20 0 BBADLO C[C@@]1([NH2+]CCN2C(=O)CCC2=O)CCOC1=O ZINC000810097174 586533856 /nfs/dbraw/zinc/53/38/56/586533856.db2.gz FEGKVZFIKNBYQT-LLVKDONJSA-N 1 2 240.259 -0.569 20 0 BBADLO C[C@]1([NH2+]CCN2C(=O)CCC2=O)CCOC1=O ZINC000810097175 586533638 /nfs/dbraw/zinc/53/36/38/586533638.db2.gz FEGKVZFIKNBYQT-NSHDSACASA-N 1 2 240.259 -0.569 20 0 BBADLO CCOC(=O)COCC[NH2+][C@]1(C)CCOC1=O ZINC000810098158 586533809 /nfs/dbraw/zinc/53/38/09/586533809.db2.gz OQBFHPSSJZZSDO-LLVKDONJSA-N 1 2 245.275 -0.139 20 0 BBADLO CCOC(=O)COCC[NH2+][C@@]1(C)CCOC1=O ZINC000810098159 586533681 /nfs/dbraw/zinc/53/36/81/586533681.db2.gz OQBFHPSSJZZSDO-NSHDSACASA-N 1 2 245.275 -0.139 20 0 BBADLO Cc1c[nH]nc1C[NH2+]C[C@H]1CC(C(N)=O)=NO1 ZINC000810154514 585675220 /nfs/dbraw/zinc/67/52/20/585675220.db2.gz CLHBUTLITQOKMR-SSDOTTSWSA-N 1 2 237.263 -0.562 20 0 BBADLO Cc1cn[nH]c1C[NH2+]C[C@H]1CC(C(N)=O)=NO1 ZINC000810154514 585675219 /nfs/dbraw/zinc/67/52/19/585675219.db2.gz CLHBUTLITQOKMR-SSDOTTSWSA-N 1 2 237.263 -0.562 20 0 BBADLO Cc1c[nH]nc1C[NH2+]C[C@@H]1CC(C(N)=O)=NO1 ZINC000810154515 585675343 /nfs/dbraw/zinc/67/53/43/585675343.db2.gz CLHBUTLITQOKMR-ZETCQYMHSA-N 1 2 237.263 -0.562 20 0 BBADLO Cc1cn[nH]c1C[NH2+]C[C@@H]1CC(C(N)=O)=NO1 ZINC000810154515 585675342 /nfs/dbraw/zinc/67/53/42/585675342.db2.gz CLHBUTLITQOKMR-ZETCQYMHSA-N 1 2 237.263 -0.562 20 0 BBADLO NC(=O)CONC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000810231615 586537460 /nfs/dbraw/zinc/53/74/60/586537460.db2.gz HNKRHCSCBOFHAQ-UHFFFAOYSA-N 1 2 249.230 -0.127 20 0 BBADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)C(F)F ZINC000811217062 586557311 /nfs/dbraw/zinc/55/73/11/586557311.db2.gz PIDOXOSKHKOVDN-LURJTMIESA-N 1 2 247.201 -0.194 20 0 BBADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)C(F)F ZINC000811217063 586557156 /nfs/dbraw/zinc/55/71/56/586557156.db2.gz PIDOXOSKHKOVDN-ZCFIWIBFSA-N 1 2 247.201 -0.194 20 0 BBADLO CC(C)S(=O)(=O)CCNC(=O)C[NH+](C)C ZINC000811553797 586561037 /nfs/dbraw/zinc/56/10/37/586561037.db2.gz HEUGWNGQAAYDEF-UHFFFAOYSA-N 1 2 236.337 -0.513 20 0 BBADLO Cc1nccnc1N1CCC[N@@H+](CC(N)=O)CC1 ZINC000811742876 586566314 /nfs/dbraw/zinc/56/63/14/586566314.db2.gz LCKRQESSPYXGLD-UHFFFAOYSA-N 1 2 249.318 -0.218 20 0 BBADLO Cc1nccnc1N1CCC[N@H+](CC(N)=O)CC1 ZINC000811742876 586566313 /nfs/dbraw/zinc/56/63/13/586566313.db2.gz LCKRQESSPYXGLD-UHFFFAOYSA-N 1 2 249.318 -0.218 20 0 BBADLO Cn1cnn(CN2CCn3c[nH+]cc3C2)c1=O ZINC000811787265 586566747 /nfs/dbraw/zinc/56/67/47/586566747.db2.gz GNEHIAJYITZDCI-UHFFFAOYSA-N 1 2 234.263 -0.748 20 0 BBADLO CN1C(=O)CN(CN2CCn3c[nH+]cc3C2)C1=O ZINC000811787791 586566607 /nfs/dbraw/zinc/56/66/07/586566607.db2.gz USFFZEQIHNSMJD-UHFFFAOYSA-N 1 2 249.274 -0.450 20 0 BBADLO COCCONC(=O)NCc1c[nH+]cn1C ZINC000811911533 586568488 /nfs/dbraw/zinc/56/84/88/586568488.db2.gz PUKXEACPCBYEMX-UHFFFAOYSA-N 1 2 228.252 -0.203 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)N[C@@H](CO)C1CC1 ZINC000811924825 586568609 /nfs/dbraw/zinc/56/86/09/586568609.db2.gz KLKBBEMSSURZLO-JTQLQIEISA-N 1 2 238.291 -0.010 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)N[C@H](CO)C1CC1 ZINC000811924826 586568484 /nfs/dbraw/zinc/56/84/84/586568484.db2.gz KLKBBEMSSURZLO-SNVBAGLBSA-N 1 2 238.291 -0.010 20 0 BBADLO COCCONC(=O)N1CCn2c[nH+]cc2C1 ZINC000812207681 644920743 /nfs/dbraw/zinc/92/07/43/644920743.db2.gz BCLYSGZYLIHGGR-UHFFFAOYSA-N 1 2 240.263 -0.014 20 0 BBADLO Cn1cnn(C[N@H+]2CC[C@H](n3cccn3)C2)c1=O ZINC000812294526 586572830 /nfs/dbraw/zinc/57/28/30/586572830.db2.gz PBZRHFWKNPUXOQ-JTQLQIEISA-N 1 2 248.290 -0.317 20 0 BBADLO Cn1cnn(C[N@@H+]2CC[C@H](n3cccn3)C2)c1=O ZINC000812294526 586572829 /nfs/dbraw/zinc/57/28/29/586572829.db2.gz PBZRHFWKNPUXOQ-JTQLQIEISA-N 1 2 248.290 -0.317 20 0 BBADLO Cn1cnn(C[N@H+]2CC[C@@H](n3cccn3)C2)c1=O ZINC000812294527 586572913 /nfs/dbraw/zinc/57/29/13/586572913.db2.gz PBZRHFWKNPUXOQ-SNVBAGLBSA-N 1 2 248.290 -0.317 20 0 BBADLO Cn1cnn(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1=O ZINC000812294527 586572912 /nfs/dbraw/zinc/57/29/12/586572912.db2.gz PBZRHFWKNPUXOQ-SNVBAGLBSA-N 1 2 248.290 -0.317 20 0 BBADLO COCC[C@H]1COCC[N@H+]1Cn1cnnc1 ZINC000812299750 586572786 /nfs/dbraw/zinc/57/27/86/586572786.db2.gz PKWXBNXZBZXVRM-JTQLQIEISA-N 1 2 226.280 -0.027 20 0 BBADLO COCC[C@H]1COCC[N@@H+]1Cn1cnnc1 ZINC000812299750 586572785 /nfs/dbraw/zinc/57/27/85/586572785.db2.gz PKWXBNXZBZXVRM-JTQLQIEISA-N 1 2 226.280 -0.027 20 0 BBADLO COCC[C@@H]1COCC[N@H+]1Cn1cnnc1 ZINC000812299751 586572672 /nfs/dbraw/zinc/57/26/72/586572672.db2.gz PKWXBNXZBZXVRM-SNVBAGLBSA-N 1 2 226.280 -0.027 20 0 BBADLO COCC[C@@H]1COCC[N@@H+]1Cn1cnnc1 ZINC000812299751 586572671 /nfs/dbraw/zinc/57/26/71/586572671.db2.gz PKWXBNXZBZXVRM-SNVBAGLBSA-N 1 2 226.280 -0.027 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)NCC1(CO)CC1 ZINC000812486709 586578080 /nfs/dbraw/zinc/57/80/80/586578080.db2.gz CLSSGMHVBLDKSA-UHFFFAOYSA-N 1 2 238.291 -0.008 20 0 BBADLO CNS(=O)(=O)NC1CC[NH+](CCF)CC1 ZINC000812840332 586587996 /nfs/dbraw/zinc/58/79/96/586587996.db2.gz TYQUKTKOCNICCQ-UHFFFAOYSA-N 1 2 239.316 -0.526 20 0 BBADLO COC(=O)C[NH+]1CCC(C(=O)N(C)OC)CC1 ZINC000812869157 586587901 /nfs/dbraw/zinc/58/79/01/586587901.db2.gz XWBBECQRUYSVHN-UHFFFAOYSA-N 1 2 244.291 -0.109 20 0 BBADLO Cn1cc(NC(=O)NCc2[nH+]ccn2C)nn1 ZINC000813007582 586589448 /nfs/dbraw/zinc/58/94/48/586589448.db2.gz LCBVUHHHBQPENO-UHFFFAOYSA-N 1 2 235.251 -0.130 20 0 BBADLO Cn1cc(NC(=O)NCCn2cc[nH+]c2)nn1 ZINC000813008765 586589532 /nfs/dbraw/zinc/58/95/32/586589532.db2.gz ULLQKYZQFKXBKQ-UHFFFAOYSA-N 1 2 235.251 -0.167 20 0 BBADLO Cn1cc(NC(=O)NCc2c[nH+]cn2C)nn1 ZINC000813010442 586589628 /nfs/dbraw/zinc/58/96/28/586589628.db2.gz BPITXOXHEMPHAL-UHFFFAOYSA-N 1 2 235.251 -0.130 20 0 BBADLO Cn1cc(NC(=O)NCc2[nH]cc[nH+]2)nn1 ZINC000813011084 586589744 /nfs/dbraw/zinc/58/97/44/586589744.db2.gz OURNOASOFMUERO-UHFFFAOYSA-N 1 2 221.224 -0.140 20 0 BBADLO COC[C@H](C)C[N@H+]1CCn2nnc(CO)c2C1 ZINC000813333749 586600423 /nfs/dbraw/zinc/60/04/23/586600423.db2.gz VBCUPNITMVATEJ-SECBINFHSA-N 1 2 240.307 -0.132 20 0 BBADLO COC[C@H](C)C[N@@H+]1CCn2nnc(CO)c2C1 ZINC000813333749 586600422 /nfs/dbraw/zinc/60/04/22/586600422.db2.gz VBCUPNITMVATEJ-SECBINFHSA-N 1 2 240.307 -0.132 20 0 BBADLO COC[C@@H](C)C[N@H+]1CCn2nnc(CO)c2C1 ZINC000813333753 586600355 /nfs/dbraw/zinc/60/03/55/586600355.db2.gz VBCUPNITMVATEJ-VIFPVBQESA-N 1 2 240.307 -0.132 20 0 BBADLO COC[C@@H](C)C[N@@H+]1CCn2nnc(CO)c2C1 ZINC000813333753 586600354 /nfs/dbraw/zinc/60/03/54/586600354.db2.gz VBCUPNITMVATEJ-VIFPVBQESA-N 1 2 240.307 -0.132 20 0 BBADLO COC(=O)[C@H]1[C@H](C[N@@H+](C)CC(N)=O)C1(F)F ZINC000813335677 712587778 /nfs/dbraw/zinc/58/77/78/712587778.db2.gz YIQIDDCUNMYFSF-CAHLUQPWSA-N 1 2 236.218 -0.542 20 0 BBADLO COC(=O)[C@H]1[C@H](C[N@H+](C)CC(N)=O)C1(F)F ZINC000813335677 712587777 /nfs/dbraw/zinc/58/77/77/712587777.db2.gz YIQIDDCUNMYFSF-CAHLUQPWSA-N 1 2 236.218 -0.542 20 0 BBADLO COC(=O)[C@@H]1[C@H](C[N@@H+](C)CC(N)=O)C1(F)F ZINC000813335679 712587743 /nfs/dbraw/zinc/58/77/43/712587743.db2.gz YIQIDDCUNMYFSF-FSPLSTOPSA-N 1 2 236.218 -0.542 20 0 BBADLO COC(=O)[C@@H]1[C@H](C[N@H+](C)CC(N)=O)C1(F)F ZINC000813335679 712587742 /nfs/dbraw/zinc/58/77/42/712587742.db2.gz YIQIDDCUNMYFSF-FSPLSTOPSA-N 1 2 236.218 -0.542 20 0 BBADLO COC(=O)[C@H]1[C@@H](C[N@@H+](C)CC(N)=O)C1(F)F ZINC000813335681 712587763 /nfs/dbraw/zinc/58/77/63/712587763.db2.gz YIQIDDCUNMYFSF-IYSWYEEDSA-N 1 2 236.218 -0.542 20 0 BBADLO COC(=O)[C@H]1[C@@H](C[N@H+](C)CC(N)=O)C1(F)F ZINC000813335681 712587762 /nfs/dbraw/zinc/58/77/62/712587762.db2.gz YIQIDDCUNMYFSF-IYSWYEEDSA-N 1 2 236.218 -0.542 20 0 BBADLO COC(=O)[C@@H]1[C@@H](C[N@@H+](C)CC(N)=O)C1(F)F ZINC000813335683 712587853 /nfs/dbraw/zinc/58/78/53/712587853.db2.gz YIQIDDCUNMYFSF-VDTYLAMSSA-N 1 2 236.218 -0.542 20 0 BBADLO COC(=O)[C@@H]1[C@@H](C[N@H+](C)CC(N)=O)C1(F)F ZINC000813335683 712587851 /nfs/dbraw/zinc/58/78/51/712587851.db2.gz YIQIDDCUNMYFSF-VDTYLAMSSA-N 1 2 236.218 -0.542 20 0 BBADLO O=C(NCC[NH+]1CCOCC1)NOCC1CC1 ZINC000814188233 586616252 /nfs/dbraw/zinc/61/62/52/586616252.db2.gz IOHCCMXYPKZSIE-UHFFFAOYSA-N 1 2 243.307 -0.041 20 0 BBADLO CCn1ncc(C(=O)N2CC[NH+](C)CC2)n1 ZINC000814683334 586628797 /nfs/dbraw/zinc/62/87/97/586628797.db2.gz WXAFFSUKRQWVDO-UHFFFAOYSA-N 1 2 223.280 -0.314 20 0 BBADLO Cn1ncc(C[NH2+]CC(=O)NCc2ccco2)n1 ZINC000815113809 586667456 /nfs/dbraw/zinc/66/74/56/586667456.db2.gz AGDPTKXLBKKPCD-UHFFFAOYSA-N 1 2 249.274 -0.186 20 0 BBADLO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2cnn(C)n2)CC1=O ZINC000815128209 586668886 /nfs/dbraw/zinc/66/88/86/586668886.db2.gz SNWRQHLZSXNIGD-FXPVBKGRSA-N 1 2 249.318 -0.086 20 0 BBADLO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2cnn(C)n2)CC1=O ZINC000815128210 586668878 /nfs/dbraw/zinc/66/88/78/586668878.db2.gz SNWRQHLZSXNIGD-KKZNHRDASA-N 1 2 249.318 -0.086 20 0 BBADLO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2cnn(C)n2)CC1=O ZINC000815128211 586668424 /nfs/dbraw/zinc/66/84/24/586668424.db2.gz SNWRQHLZSXNIGD-WCABBAIRSA-N 1 2 249.318 -0.086 20 0 BBADLO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2cnn(C)n2)CC1=O ZINC000815128212 586668927 /nfs/dbraw/zinc/66/89/27/586668927.db2.gz SNWRQHLZSXNIGD-YWVKMMECSA-N 1 2 249.318 -0.086 20 0 BBADLO COC[C@@H](C(N)=O)[N@@H+](C)CC(OC)OC ZINC000815135746 586669415 /nfs/dbraw/zinc/66/94/15/586669415.db2.gz GLPOHNSTAZIGRT-ZETCQYMHSA-N 1 2 220.269 -0.963 20 0 BBADLO COC[C@@H](C(N)=O)[N@H+](C)CC(OC)OC ZINC000815135746 586669413 /nfs/dbraw/zinc/66/94/13/586669413.db2.gz GLPOHNSTAZIGRT-ZETCQYMHSA-N 1 2 220.269 -0.963 20 0 BBADLO CCOC(C[N@@H+](C)[C@@H](COC)C(N)=O)OCC ZINC000815137242 586669386 /nfs/dbraw/zinc/66/93/86/586669386.db2.gz OOOWIIMJAPPUPK-VIFPVBQESA-N 1 2 248.323 -0.182 20 0 BBADLO CCOC(C[N@H+](C)[C@@H](COC)C(N)=O)OCC ZINC000815137242 586669385 /nfs/dbraw/zinc/66/93/85/586669385.db2.gz OOOWIIMJAPPUPK-VIFPVBQESA-N 1 2 248.323 -0.182 20 0 BBADLO COC[C@@H](C(N)=O)[N@@H+](C)C/C=C(\C)C(=O)OC ZINC000815137466 586669221 /nfs/dbraw/zinc/66/92/21/586669221.db2.gz VDWOQVWRULTJTM-QRJSTWQJSA-N 1 2 244.291 -0.462 20 0 BBADLO COC[C@@H](C(N)=O)[N@H+](C)C/C=C(\C)C(=O)OC ZINC000815137466 586669218 /nfs/dbraw/zinc/66/92/18/586669218.db2.gz VDWOQVWRULTJTM-QRJSTWQJSA-N 1 2 244.291 -0.462 20 0 BBADLO COC[C@@H](C(N)=O)[N@@H+](C)C/C=C(/C)C(=O)OC ZINC000815137467 586667304 /nfs/dbraw/zinc/66/73/04/586667304.db2.gz VDWOQVWRULTJTM-RDOCRHDPSA-N 1 2 244.291 -0.462 20 0 BBADLO COC[C@@H](C(N)=O)[N@H+](C)C/C=C(/C)C(=O)OC ZINC000815137467 586667303 /nfs/dbraw/zinc/66/73/03/586667303.db2.gz VDWOQVWRULTJTM-RDOCRHDPSA-N 1 2 244.291 -0.462 20 0 BBADLO CCn1ncc(C(=O)NCCc2[nH]cc[nH+]2)n1 ZINC000815548214 586687776 /nfs/dbraw/zinc/68/77/76/586687776.db2.gz QJSGYRSXDUKUPG-UHFFFAOYSA-N 1 2 234.263 -0.006 20 0 BBADLO CCn1ncc(C(=O)NCc2c[nH]c[nH+]2)n1 ZINC000815666824 586691046 /nfs/dbraw/zinc/69/10/46/586691046.db2.gz IZULLKWQWJVCGZ-UHFFFAOYSA-N 1 2 220.236 -0.049 20 0 BBADLO CCn1ncc(C(=O)NCc2c[nH+]c[nH]2)n1 ZINC000815666824 586691044 /nfs/dbraw/zinc/69/10/44/586691044.db2.gz IZULLKWQWJVCGZ-UHFFFAOYSA-N 1 2 220.236 -0.049 20 0 BBADLO O=C(CCCn1cc[nH+]c1)NCCn1cnnn1 ZINC000816287787 586716985 /nfs/dbraw/zinc/71/69/85/586716985.db2.gz OVCCSFJVUXPUKP-UHFFFAOYSA-N 1 2 249.278 -0.534 20 0 BBADLO Cn1ncc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1Cl ZINC000816513493 586738586 /nfs/dbraw/zinc/73/85/86/586738586.db2.gz RUJOEQQDNHBOTP-OCAPTIKFSA-N 1 2 231.683 -0.389 20 0 BBADLO Cn1ncc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1Cl ZINC000816513493 586738584 /nfs/dbraw/zinc/73/85/84/586738584.db2.gz RUJOEQQDNHBOTP-OCAPTIKFSA-N 1 2 231.683 -0.389 20 0 BBADLO Cn1c[nH+]cc1CCC(=O)O[C@H]1CNOC1 ZINC000816572052 586741689 /nfs/dbraw/zinc/74/16/89/586741689.db2.gz ZOZIOXAKIXLDEW-VIFPVBQESA-N 1 2 225.248 -0.201 20 0 BBADLO Cn1ncc(CNCC[N@H+]2CCCOCC2)n1 ZINC000816611204 586743550 /nfs/dbraw/zinc/74/35/50/586743550.db2.gz KDECYQXGNGFPLB-UHFFFAOYSA-N 1 2 239.323 -0.373 20 0 BBADLO Cn1ncc(CNCC[N@@H+]2CCCOCC2)n1 ZINC000816611204 586743548 /nfs/dbraw/zinc/74/35/48/586743548.db2.gz KDECYQXGNGFPLB-UHFFFAOYSA-N 1 2 239.323 -0.373 20 0 BBADLO C[NH+](C)C[C@@H](CO)NC(=O)C(F)C(F)(F)F ZINC000816619016 586745085 /nfs/dbraw/zinc/74/50/85/586745085.db2.gz QCHGOTDWMLMBKH-NTSWFWBYSA-N 1 2 246.204 -0.075 20 0 BBADLO C[NH+](C)C[C@@H](CO)NC(=O)[C@@H](F)C(F)(F)F ZINC000816619016 586745084 /nfs/dbraw/zinc/74/50/84/586745084.db2.gz QCHGOTDWMLMBKH-NTSWFWBYSA-N 1 2 246.204 -0.075 20 0 BBADLO C[NH+](C)C[C@H](CO)NC(=O)C(F)C(F)(F)F ZINC000816619017 586745439 /nfs/dbraw/zinc/74/54/39/586745439.db2.gz QCHGOTDWMLMBKH-PHDIDXHHSA-N 1 2 246.204 -0.075 20 0 BBADLO C[NH+](C)C[C@H](CO)NC(=O)[C@@H](F)C(F)(F)F ZINC000816619017 586745438 /nfs/dbraw/zinc/74/54/38/586745438.db2.gz QCHGOTDWMLMBKH-PHDIDXHHSA-N 1 2 246.204 -0.075 20 0 BBADLO C[NH+](C)C[C@H](CO)NC(=O)C(F)C(F)(F)F ZINC000816619018 586745271 /nfs/dbraw/zinc/74/52/71/586745271.db2.gz QCHGOTDWMLMBKH-RITPCOANSA-N 1 2 246.204 -0.075 20 0 BBADLO C[NH+](C)C[C@H](CO)NC(=O)[C@H](F)C(F)(F)F ZINC000816619018 586745269 /nfs/dbraw/zinc/74/52/69/586745269.db2.gz QCHGOTDWMLMBKH-RITPCOANSA-N 1 2 246.204 -0.075 20 0 BBADLO C[NH+](C)C[C@@H](CO)NC(=O)C(F)C(F)(F)F ZINC000816619019 586745421 /nfs/dbraw/zinc/74/54/21/586745421.db2.gz QCHGOTDWMLMBKH-WDSKDSINSA-N 1 2 246.204 -0.075 20 0 BBADLO C[NH+](C)C[C@@H](CO)NC(=O)[C@H](F)C(F)(F)F ZINC000816619019 586745420 /nfs/dbraw/zinc/74/54/20/586745420.db2.gz QCHGOTDWMLMBKH-WDSKDSINSA-N 1 2 246.204 -0.075 20 0 BBADLO Cc1[nH]c(C(=O)N[C@@H]2COC(=O)C2)c[nH+]1 ZINC000816679398 586754761 /nfs/dbraw/zinc/75/47/61/586754761.db2.gz SYIBEDXRNKWORJ-LURJTMIESA-N 1 2 209.205 -0.237 20 0 BBADLO CCn1ncc(C(=O)NCc2c[nH+]cn2C)n1 ZINC000816747098 586762587 /nfs/dbraw/zinc/76/25/87/586762587.db2.gz YEYHRHSAOMLHIP-UHFFFAOYSA-N 1 2 234.263 -0.039 20 0 BBADLO COC(=O)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000816844627 586768342 /nfs/dbraw/zinc/76/83/42/586768342.db2.gz IKHSRWUNIITDKP-LURJTMIESA-N 1 2 211.221 -0.370 20 0 BBADLO COC(=O)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000816845688 586768461 /nfs/dbraw/zinc/76/84/61/586768461.db2.gz YZIJOFKLCBBWDD-UHFFFAOYSA-N 1 2 211.221 -0.369 20 0 BBADLO CCNC(=O)CN(CC)C(=O)Cc1[nH]cc[nH+]1 ZINC000816845711 586768116 /nfs/dbraw/zinc/76/81/16/586768116.db2.gz ZULSZFARHZCCRU-UHFFFAOYSA-N 1 2 238.291 -0.063 20 0 BBADLO CCOC(=O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000816890337 586769673 /nfs/dbraw/zinc/76/96/73/586769673.db2.gz HJDBYYWTYGZXBM-UHFFFAOYSA-N 1 2 211.221 -0.369 20 0 BBADLO CCCN(CC(=O)NC)C(=O)Cc1[nH]cc[nH+]1 ZINC000816894601 586769691 /nfs/dbraw/zinc/76/96/91/586769691.db2.gz JMTGXEWURIDPGS-UHFFFAOYSA-N 1 2 238.291 -0.063 20 0 BBADLO CN1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1=O ZINC000816921583 586771336 /nfs/dbraw/zinc/77/13/36/586771336.db2.gz AHEALBFXMVSHGB-SSDOTTSWSA-N 1 2 222.248 -0.701 20 0 BBADLO CN1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1=O ZINC000816921584 586771449 /nfs/dbraw/zinc/77/14/49/586771449.db2.gz AHEALBFXMVSHGB-ZETCQYMHSA-N 1 2 222.248 -0.701 20 0 BBADLO CN1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1=O ZINC000816931949 586771752 /nfs/dbraw/zinc/77/17/52/586771752.db2.gz CVEFHXGUKFKODX-UHFFFAOYSA-N 1 2 222.248 -0.747 20 0 BBADLO COC(=O)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000816947160 586772756 /nfs/dbraw/zinc/77/27/56/586772756.db2.gz IKHSRWUNIITDKP-ZCFIWIBFSA-N 1 2 211.221 -0.370 20 0 BBADLO CC(C)CN(CC(N)=O)C(=O)Cc1[nH]cc[nH+]1 ZINC000816954959 586774466 /nfs/dbraw/zinc/77/44/66/586774466.db2.gz OVDMBJBUYRSIDJ-UHFFFAOYSA-N 1 2 238.291 -0.078 20 0 BBADLO COC(=O)[C@H]1[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC000816959447 586774409 /nfs/dbraw/zinc/77/44/09/586774409.db2.gz HAEACSWQMLCKTH-JZYVYDRUSA-N 1 2 249.270 -0.240 20 0 BBADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]1CO ZINC000816971426 586775412 /nfs/dbraw/zinc/77/54/12/586775412.db2.gz CKRBVLKAPIGWJH-MRVPVSSYSA-N 1 2 209.249 -0.065 20 0 BBADLO CC(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816973351 586775912 /nfs/dbraw/zinc/77/59/12/586775912.db2.gz RNVFBUNRQGWFAN-UHFFFAOYSA-N 1 2 222.248 -0.701 20 0 BBADLO O=C(Cc1[nH]cc[nH+]1)N1CC(=O)N(CC2CC2)C1 ZINC000816974579 586775762 /nfs/dbraw/zinc/77/57/62/586775762.db2.gz HFFGHETXMHDURX-UHFFFAOYSA-N 1 2 248.286 -0.010 20 0 BBADLO O=C(Cc1[nH]cc[nH+]1)N1CC(=O)N(C2CC2)C1 ZINC000816974979 586775584 /nfs/dbraw/zinc/77/55/84/586775584.db2.gz WHZCYHWNUHAFNM-UHFFFAOYSA-N 1 2 234.259 -0.257 20 0 BBADLO Cn1cnc(NC(=O)CC[NH+]2CCOCC2)n1 ZINC000817149598 586784084 /nfs/dbraw/zinc/78/40/84/586784084.db2.gz PEPDYHKWACMONC-UHFFFAOYSA-N 1 2 239.279 -0.524 20 0 BBADLO CC1(C)C[N@@H+](CC2OCCO2)C[C@H](CO)O1 ZINC000817279678 586792580 /nfs/dbraw/zinc/79/25/80/586792580.db2.gz SIAQKCQCKVBPDV-SECBINFHSA-N 1 2 231.292 -0.169 20 0 BBADLO CC1(C)C[N@H+](CC2OCCO2)C[C@H](CO)O1 ZINC000817279678 586792579 /nfs/dbraw/zinc/79/25/79/586792579.db2.gz SIAQKCQCKVBPDV-SECBINFHSA-N 1 2 231.292 -0.169 20 0 BBADLO CC1(C)C[N@@H+](CC2OCCO2)C[C@@H](CO)O1 ZINC000817279686 586792604 /nfs/dbraw/zinc/79/26/04/586792604.db2.gz SIAQKCQCKVBPDV-VIFPVBQESA-N 1 2 231.292 -0.169 20 0 BBADLO CC1(C)C[N@H+](CC2OCCO2)C[C@@H](CO)O1 ZINC000817279686 586792603 /nfs/dbraw/zinc/79/26/03/586792603.db2.gz SIAQKCQCKVBPDV-VIFPVBQESA-N 1 2 231.292 -0.169 20 0 BBADLO CON(C)C(=O)C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000817279904 586792610 /nfs/dbraw/zinc/79/26/10/586792610.db2.gz WDUNGPMKSLTXMS-SECBINFHSA-N 1 2 246.307 -0.522 20 0 BBADLO CON(C)C(=O)C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000817279904 586792609 /nfs/dbraw/zinc/79/26/09/586792609.db2.gz WDUNGPMKSLTXMS-SECBINFHSA-N 1 2 246.307 -0.522 20 0 BBADLO CON(C)C(=O)C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000817279905 586792726 /nfs/dbraw/zinc/79/27/26/586792726.db2.gz WDUNGPMKSLTXMS-VIFPVBQESA-N 1 2 246.307 -0.522 20 0 BBADLO CON(C)C(=O)C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000817279905 586792725 /nfs/dbraw/zinc/79/27/25/586792725.db2.gz WDUNGPMKSLTXMS-VIFPVBQESA-N 1 2 246.307 -0.522 20 0 BBADLO CCn1ncc(C[N@@H+](C[C@@H](O)CO)C(C)C)n1 ZINC000817417017 586802553 /nfs/dbraw/zinc/80/25/53/586802553.db2.gz ARNLLRXQHQZWCD-LLVKDONJSA-N 1 2 242.323 -0.138 20 0 BBADLO CCn1ncc(C[N@H+](C[C@@H](O)CO)C(C)C)n1 ZINC000817417017 586802552 /nfs/dbraw/zinc/80/25/52/586802552.db2.gz ARNLLRXQHQZWCD-LLVKDONJSA-N 1 2 242.323 -0.138 20 0 BBADLO CCn1ncc(C[N@@H+](C[C@H](O)CO)C(C)C)n1 ZINC000817417018 586802578 /nfs/dbraw/zinc/80/25/78/586802578.db2.gz ARNLLRXQHQZWCD-NSHDSACASA-N 1 2 242.323 -0.138 20 0 BBADLO CCn1ncc(C[N@H+](C[C@H](O)CO)C(C)C)n1 ZINC000817417018 586802577 /nfs/dbraw/zinc/80/25/77/586802577.db2.gz ARNLLRXQHQZWCD-NSHDSACASA-N 1 2 242.323 -0.138 20 0 BBADLO CCn1nc(C)c(C[NH2+][C@H]2CCNC2=O)n1 ZINC000818115672 586875198 /nfs/dbraw/zinc/87/51/98/586875198.db2.gz ALCHLMIWQTXBNO-QMMMGPOBSA-N 1 2 223.280 -0.415 20 0 BBADLO CON(C)C(=O)CC[NH2+]Cc1ccn[nH]1 ZINC000818957390 586918230 /nfs/dbraw/zinc/91/82/30/586918230.db2.gz VFBKUGWUFYFNKT-UHFFFAOYSA-N 1 2 212.253 -0.091 20 0 BBADLO CON(C)C(=O)CC[NH2+]Cc1nc(C)no1 ZINC000819018544 586924535 /nfs/dbraw/zinc/92/45/35/586924535.db2.gz ZODUKFBCROKLRB-UHFFFAOYSA-N 1 2 228.252 -0.122 20 0 BBADLO CON(C)C(=O)CC[NH2+]Cc1noc(C)n1 ZINC000819073804 586929044 /nfs/dbraw/zinc/92/90/44/586929044.db2.gz JBCQXQOAXCPPNK-UHFFFAOYSA-N 1 2 228.252 -0.122 20 0 BBADLO CCOCCONC[C@@H](O)C[NH+]1CCOCC1 ZINC000819239147 586941739 /nfs/dbraw/zinc/94/17/39/586941739.db2.gz JMEYYZUNCPLVKE-LLVKDONJSA-N 1 2 248.323 -0.763 20 0 BBADLO CCOCCONC[C@H](O)C[NH+]1CCOCC1 ZINC000819239150 586941878 /nfs/dbraw/zinc/94/18/78/586941878.db2.gz JMEYYZUNCPLVKE-NSHDSACASA-N 1 2 248.323 -0.763 20 0 BBADLO COCCCONC[C@@H](O)C[NH+]1CCOCC1 ZINC000819308739 586949747 /nfs/dbraw/zinc/94/97/47/586949747.db2.gz DBDPJCFGFRRFCY-LLVKDONJSA-N 1 2 248.323 -0.763 20 0 BBADLO COCCCONC[C@H](O)C[NH+]1CCOCC1 ZINC000819308740 586950037 /nfs/dbraw/zinc/95/00/37/586950037.db2.gz DBDPJCFGFRRFCY-NSHDSACASA-N 1 2 248.323 -0.763 20 0 BBADLO CCn1nc(C)c(C[NH2+]CCS(C)(=O)=O)n1 ZINC000819379403 586958975 /nfs/dbraw/zinc/95/89/75/586958975.db2.gz HKMJMZMZRWRDFR-UHFFFAOYSA-N 1 2 246.336 -0.259 20 0 BBADLO O=C(CCn1cc[nH+]c1)NCCn1cnnn1 ZINC000819463619 585003118 /nfs/dbraw/zinc/00/31/18/585003118.db2.gz IUAJHOVRZIEVEH-UHFFFAOYSA-N 1 2 235.251 -0.924 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)C(=O)Nc1c[nH]nn1 ZINC000819488098 585002720 /nfs/dbraw/zinc/00/27/20/585002720.db2.gz MDHVSVPOFCEQGG-MRVPVSSYSA-N 1 2 239.279 -0.289 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1c[nH]nn1 ZINC000819488099 585002929 /nfs/dbraw/zinc/00/29/29/585002929.db2.gz MDHVSVPOFCEQGG-QMMMGPOBSA-N 1 2 239.279 -0.289 20 0 BBADLO O=C(CCn1cc[nH+]c1)O[C@H]1CNOC1 ZINC000819755676 586990444 /nfs/dbraw/zinc/99/04/44/586990444.db2.gz KXYVYABJWCURRY-QMMMGPOBSA-N 1 2 211.221 -0.280 20 0 BBADLO C[C@@H]1CN=C(NC(=O)[C@H]2C[N@@H+](C)CCO2)S1 ZINC000819771915 645016392 /nfs/dbraw/zinc/01/63/92/645016392.db2.gz MNXIRZQTXYAQGV-HTQZYQBOSA-N 1 2 243.332 -0.076 20 0 BBADLO C[C@@H]1CN=C(NC(=O)[C@H]2C[N@H+](C)CCO2)S1 ZINC000819771915 645016382 /nfs/dbraw/zinc/01/63/82/645016382.db2.gz MNXIRZQTXYAQGV-HTQZYQBOSA-N 1 2 243.332 -0.076 20 0 BBADLO C[C@H]1CN=C(NC(=O)[C@H]2C[N@@H+](C)CCO2)S1 ZINC000819771917 645016839 /nfs/dbraw/zinc/01/68/39/645016839.db2.gz MNXIRZQTXYAQGV-JGVFFNPUSA-N 1 2 243.332 -0.076 20 0 BBADLO C[C@H]1CN=C(NC(=O)[C@H]2C[N@H+](C)CCO2)S1 ZINC000819771917 645016835 /nfs/dbraw/zinc/01/68/35/645016835.db2.gz MNXIRZQTXYAQGV-JGVFFNPUSA-N 1 2 243.332 -0.076 20 0 BBADLO C[C@@H]1CN=C(NC(=O)[C@@H]2C[N@@H+](C)CCO2)S1 ZINC000819771919 645017053 /nfs/dbraw/zinc/01/70/53/645017053.db2.gz MNXIRZQTXYAQGV-SFYZADRCSA-N 1 2 243.332 -0.076 20 0 BBADLO C[C@@H]1CN=C(NC(=O)[C@@H]2C[N@H+](C)CCO2)S1 ZINC000819771919 645017049 /nfs/dbraw/zinc/01/70/49/645017049.db2.gz MNXIRZQTXYAQGV-SFYZADRCSA-N 1 2 243.332 -0.076 20 0 BBADLO C[C@H]1CN=C(NC(=O)[C@@H]2C[N@@H+](C)CCO2)S1 ZINC000819771920 645016432 /nfs/dbraw/zinc/01/64/32/645016432.db2.gz MNXIRZQTXYAQGV-YUMQZZPRSA-N 1 2 243.332 -0.076 20 0 BBADLO C[C@H]1CN=C(NC(=O)[C@@H]2C[N@H+](C)CCO2)S1 ZINC000819771920 645016428 /nfs/dbraw/zinc/01/64/28/645016428.db2.gz MNXIRZQTXYAQGV-YUMQZZPRSA-N 1 2 243.332 -0.076 20 0 BBADLO CC[C@@H](NC(=O)/C=C/c1cn(C)c[nH+]1)C(N)=O ZINC000819973841 587009076 /nfs/dbraw/zinc/00/90/76/587009076.db2.gz MUTBIFRTFFXDOV-XNPJLODASA-N 1 2 236.275 -0.187 20 0 BBADLO CC[C@@H](NC(=O)/C=C\c1cn(C)c[nH+]1)C(N)=O ZINC000819973842 587008986 /nfs/dbraw/zinc/00/89/86/587008986.db2.gz MUTBIFRTFFXDOV-XRVBUDJMSA-N 1 2 236.275 -0.187 20 0 BBADLO C[C@H](CS(C)(=O)=O)NC(=O)C[NH+]1CCCC1 ZINC000819982088 587010423 /nfs/dbraw/zinc/01/04/23/587010423.db2.gz MFVIMJUPTINOJT-SECBINFHSA-N 1 2 248.348 -0.369 20 0 BBADLO C[C@@H](CS(C)(=O)=O)NC(=O)C[NH+]1CCCC1 ZINC000819982089 587010902 /nfs/dbraw/zinc/01/09/02/587010902.db2.gz MFVIMJUPTINOJT-VIFPVBQESA-N 1 2 248.348 -0.369 20 0 BBADLO C[C@@]1(C(=O)N2CC(n3cc[nH+]c3)C2)CCC(=O)N1 ZINC000820003057 587012492 /nfs/dbraw/zinc/01/24/92/587012492.db2.gz FVZJYUCRTOIHCD-LBPRGKRZSA-N 1 2 248.286 -0.065 20 0 BBADLO C[C@H](CC(=O)[O-])[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000820079413 587019453 /nfs/dbraw/zinc/01/94/53/587019453.db2.gz SQFJRMWWJZOJOI-SECBINFHSA-N 1 2 243.307 -0.787 20 0 BBADLO C[C@@H](CC(=O)[O-])[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000820079414 587019265 /nfs/dbraw/zinc/01/92/65/587019265.db2.gz SQFJRMWWJZOJOI-VIFPVBQESA-N 1 2 243.307 -0.787 20 0 BBADLO O=C(CCn1cc[nH+]c1)N[C@@H]1COC(=O)C1 ZINC000820082013 587019971 /nfs/dbraw/zinc/01/99/71/587019971.db2.gz BXEMJQSHFJDOBF-QMMMGPOBSA-N 1 2 223.232 -0.295 20 0 BBADLO O=C(C[NH+]1CCCC1)N1CCc2[nH]nnc2C1 ZINC000820335742 587044361 /nfs/dbraw/zinc/04/43/61/587044361.db2.gz SZGVFPFIRKDNGI-UHFFFAOYSA-N 1 2 235.291 -0.215 20 0 BBADLO CNC(=O)[C@H](C)NC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000820362554 587044793 /nfs/dbraw/zinc/04/47/93/587044793.db2.gz RXTWOYMBIVXHQQ-LGYSABEFSA-N 1 2 236.275 -0.316 20 0 BBADLO CNC(=O)[C@H](C)NC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000820362555 587044808 /nfs/dbraw/zinc/04/48/08/587044808.db2.gz RXTWOYMBIVXHQQ-ZJELKQJVSA-N 1 2 236.275 -0.316 20 0 BBADLO CCN(CC(C)=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000820423470 587047911 /nfs/dbraw/zinc/04/79/11/587047911.db2.gz FZPLKAUCQHMZCZ-JTQLQIEISA-N 1 2 228.292 -0.246 20 0 BBADLO CCN(CC(C)=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000820423470 587047910 /nfs/dbraw/zinc/04/79/10/587047910.db2.gz FZPLKAUCQHMZCZ-JTQLQIEISA-N 1 2 228.292 -0.246 20 0 BBADLO CCN(CC(C)=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000820423475 587047772 /nfs/dbraw/zinc/04/77/72/587047772.db2.gz FZPLKAUCQHMZCZ-SNVBAGLBSA-N 1 2 228.292 -0.246 20 0 BBADLO CCN(CC(C)=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000820423475 587047771 /nfs/dbraw/zinc/04/77/71/587047771.db2.gz FZPLKAUCQHMZCZ-SNVBAGLBSA-N 1 2 228.292 -0.246 20 0 BBADLO Cc1[nH+]c[nH]c1CNC(=O)CN1CCOC1=O ZINC000820509682 587052114 /nfs/dbraw/zinc/05/21/14/587052114.db2.gz BGLRMLXFLJRWFO-UHFFFAOYSA-N 1 2 238.247 -0.213 20 0 BBADLO C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCC(=O)[O-])C1 ZINC000820538958 587053541 /nfs/dbraw/zinc/05/35/41/587053541.db2.gz BVIFJOLMRHMTHO-SECBINFHSA-N 1 2 243.307 -0.929 20 0 BBADLO C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCC(=O)[O-])C1 ZINC000820538958 587053540 /nfs/dbraw/zinc/05/35/40/587053540.db2.gz BVIFJOLMRHMTHO-SECBINFHSA-N 1 2 243.307 -0.929 20 0 BBADLO C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCC(=O)[O-])C1 ZINC000820538962 587053557 /nfs/dbraw/zinc/05/35/57/587053557.db2.gz BVIFJOLMRHMTHO-VIFPVBQESA-N 1 2 243.307 -0.929 20 0 BBADLO C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCC(=O)[O-])C1 ZINC000820538962 587053555 /nfs/dbraw/zinc/05/35/55/587053555.db2.gz BVIFJOLMRHMTHO-VIFPVBQESA-N 1 2 243.307 -0.929 20 0 BBADLO O=C(C[NH+]1CCCC1)NCc1n[nH]c(=O)[nH]1 ZINC000820544626 587053551 /nfs/dbraw/zinc/05/35/51/587053551.db2.gz NHWLYPJYQURKSJ-UHFFFAOYSA-N 1 2 225.252 -0.778 20 0 BBADLO Cc1nc(N(C)C)nc(N[C@@H]2COC(=O)C2)[nH+]1 ZINC000820586501 587056904 /nfs/dbraw/zinc/05/69/04/587056904.db2.gz KSBMRGZNAGIEDT-ZETCQYMHSA-N 1 2 237.263 -0.027 20 0 BBADLO Cc1nc(N[C@@H]2COC(=O)C2)nc(N(C)C)[nH+]1 ZINC000820586501 587056903 /nfs/dbraw/zinc/05/69/03/587056903.db2.gz KSBMRGZNAGIEDT-ZETCQYMHSA-N 1 2 237.263 -0.027 20 0 BBADLO Cc1cc(NC(=O)C[N@@H+](C)C[C@H](O)CO)no1 ZINC000820589370 587056715 /nfs/dbraw/zinc/05/67/15/587056715.db2.gz ZYIGPIVMNIPMNF-QMMMGPOBSA-N 1 2 243.263 -0.793 20 0 BBADLO Cc1cc(NC(=O)C[N@H+](C)C[C@H](O)CO)no1 ZINC000820589370 587056714 /nfs/dbraw/zinc/05/67/14/587056714.db2.gz ZYIGPIVMNIPMNF-QMMMGPOBSA-N 1 2 243.263 -0.793 20 0 BBADLO OCc1cnc(NCC[NH+]2CCOCC2)cn1 ZINC000820599740 587058074 /nfs/dbraw/zinc/05/80/74/587058074.db2.gz ZKBUFWCNFMYAQV-UHFFFAOYSA-N 1 2 238.291 -0.287 20 0 BBADLO CC(C)[C@@H](O[NH+]=C(N)CCO)C(=O)N(C)C ZINC000820706219 587067845 /nfs/dbraw/zinc/06/78/45/587067845.db2.gz KLDOYSNGCUBNKU-SECBINFHSA-N 1 2 231.296 -0.020 20 0 BBADLO CC(C)[C@H](O[NH+]=C(N)CCO)C(=O)N(C)C ZINC000820706220 587067507 /nfs/dbraw/zinc/06/75/07/587067507.db2.gz KLDOYSNGCUBNKU-VIFPVBQESA-N 1 2 231.296 -0.020 20 0 BBADLO C[NH+](C)CCNS(=O)(=O)N=S(C)(C)=O ZINC000820743299 587069716 /nfs/dbraw/zinc/06/97/16/587069716.db2.gz BXKQBYQNQIMKLY-UHFFFAOYSA-N 1 2 243.354 -0.890 20 0 BBADLO COC(=O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000820834237 587075702 /nfs/dbraw/zinc/07/57/02/587075702.db2.gz OBBLSPXQJZJHGA-UHFFFAOYSA-N 1 2 211.221 -0.416 20 0 BBADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CC(O)(CO)C1 ZINC000820856306 587077601 /nfs/dbraw/zinc/07/76/01/587077601.db2.gz PDAJVRZVLXLDQZ-UHFFFAOYSA-N 1 2 247.254 -0.258 20 0 BBADLO CCn1cc(CC(=O)NOCC[NH+](C)C)nn1 ZINC000820996956 587086971 /nfs/dbraw/zinc/08/69/71/587086971.db2.gz LZOLMKZVUFNDMS-UHFFFAOYSA-N 1 2 241.295 -0.550 20 0 BBADLO Cn1c[nH+]c(/C=C/C(=O)N2CCOCCN2)c1 ZINC000820997259 587086924 /nfs/dbraw/zinc/08/69/24/587086924.db2.gz RBEFIEUJIOXGRA-NSCUHMNNSA-N 1 2 236.275 -0.203 20 0 BBADLO Cc1nc[nH]c1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000821135167 587097310 /nfs/dbraw/zinc/09/73/10/587097310.db2.gz OXHREVAVJRHZCL-JTQLQIEISA-N 1 2 249.318 -0.552 20 0 BBADLO Cc1nc[nH]c1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000821135168 587097704 /nfs/dbraw/zinc/09/77/04/587097704.db2.gz OXHREVAVJRHZCL-SNVBAGLBSA-N 1 2 249.318 -0.552 20 0 BBADLO Cn1c[nH+]c(/C=C/C(=O)N[C@H]2CCCNC2=O)c1 ZINC000821167969 587100075 /nfs/dbraw/zinc/10/00/75/587100075.db2.gz KFVKFDWLKSPOHO-YEZKRMTDSA-N 1 2 248.286 -0.172 20 0 BBADLO O=CN1CCC[N@@H+](CC(=O)NCC2CC2)CC1 ZINC000821280651 645034042 /nfs/dbraw/zinc/03/40/42/645034042.db2.gz XNXVHSBSNCVFMX-UHFFFAOYSA-N 1 2 239.319 -0.323 20 0 BBADLO O=CN1CCC[N@H+](CC(=O)NCC2CC2)CC1 ZINC000821280651 645034038 /nfs/dbraw/zinc/03/40/38/645034038.db2.gz XNXVHSBSNCVFMX-UHFFFAOYSA-N 1 2 239.319 -0.323 20 0 BBADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H](O)C1 ZINC000821352943 587111010 /nfs/dbraw/zinc/11/10/10/587111010.db2.gz QSTVKRRUVGDUIN-MRVPVSSYSA-N 1 2 209.249 -0.065 20 0 BBADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H](O)C1 ZINC000821352944 587111379 /nfs/dbraw/zinc/11/13/79/587111379.db2.gz QSTVKRRUVGDUIN-QMMMGPOBSA-N 1 2 209.249 -0.065 20 0 BBADLO CC1=NO[C@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000821359157 587111889 /nfs/dbraw/zinc/11/18/89/587111889.db2.gz JNCYSHVPDCJBMD-JTQLQIEISA-N 1 2 241.291 -0.712 20 0 BBADLO CC1=NO[C@@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000821359158 587111528 /nfs/dbraw/zinc/11/15/28/587111528.db2.gz JNCYSHVPDCJBMD-SNVBAGLBSA-N 1 2 241.291 -0.712 20 0 BBADLO COC(=O)[C@@H]1C[N@@H+](C[C@H]2CCC(=O)O2)CCO1 ZINC000821367534 587112636 /nfs/dbraw/zinc/11/26/36/587112636.db2.gz BUWSCLTXFPCBID-BDAKNGLRSA-N 1 2 243.259 -0.434 20 0 BBADLO COC(=O)[C@@H]1C[N@H+](C[C@H]2CCC(=O)O2)CCO1 ZINC000821367534 587112635 /nfs/dbraw/zinc/11/26/35/587112635.db2.gz BUWSCLTXFPCBID-BDAKNGLRSA-N 1 2 243.259 -0.434 20 0 BBADLO COC(=O)[C@H]1C[N@@H+](C[C@@H]2CCC(=O)O2)CCO1 ZINC000821367535 587112599 /nfs/dbraw/zinc/11/25/99/587112599.db2.gz BUWSCLTXFPCBID-DTWKUNHWSA-N 1 2 243.259 -0.434 20 0 BBADLO COC(=O)[C@H]1C[N@H+](C[C@@H]2CCC(=O)O2)CCO1 ZINC000821367535 587112598 /nfs/dbraw/zinc/11/25/98/587112598.db2.gz BUWSCLTXFPCBID-DTWKUNHWSA-N 1 2 243.259 -0.434 20 0 BBADLO COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCC(=O)O2)CCO1 ZINC000821367536 587112872 /nfs/dbraw/zinc/11/28/72/587112872.db2.gz BUWSCLTXFPCBID-IUCAKERBSA-N 1 2 243.259 -0.434 20 0 BBADLO COC(=O)[C@@H]1C[N@H+](C[C@@H]2CCC(=O)O2)CCO1 ZINC000821367536 587112870 /nfs/dbraw/zinc/11/28/70/587112870.db2.gz BUWSCLTXFPCBID-IUCAKERBSA-N 1 2 243.259 -0.434 20 0 BBADLO COC(=O)[C@H]1C[N@@H+](C[C@H]2CCC(=O)O2)CCO1 ZINC000821367537 587112651 /nfs/dbraw/zinc/11/26/51/587112651.db2.gz BUWSCLTXFPCBID-RKDXNWHRSA-N 1 2 243.259 -0.434 20 0 BBADLO COC(=O)[C@H]1C[N@H+](C[C@H]2CCC(=O)O2)CCO1 ZINC000821367537 587112650 /nfs/dbraw/zinc/11/26/50/587112650.db2.gz BUWSCLTXFPCBID-RKDXNWHRSA-N 1 2 243.259 -0.434 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CCC(=O)O1 ZINC000821369727 587112544 /nfs/dbraw/zinc/11/25/44/587112544.db2.gz WNVPGFPWNBDJMC-HTQZYQBOSA-N 1 2 212.249 -0.488 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CCC(=O)O1 ZINC000821369727 587112543 /nfs/dbraw/zinc/11/25/43/587112543.db2.gz WNVPGFPWNBDJMC-HTQZYQBOSA-N 1 2 212.249 -0.488 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CCC(=O)O1 ZINC000821369744 587112922 /nfs/dbraw/zinc/11/29/22/587112922.db2.gz WNVPGFPWNBDJMC-JGVFFNPUSA-N 1 2 212.249 -0.488 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1C[C@H]1CCC(=O)O1 ZINC000821369744 587112920 /nfs/dbraw/zinc/11/29/20/587112920.db2.gz WNVPGFPWNBDJMC-JGVFFNPUSA-N 1 2 212.249 -0.488 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC(=O)O1 ZINC000821369745 587112573 /nfs/dbraw/zinc/11/25/73/587112573.db2.gz WNVPGFPWNBDJMC-SFYZADRCSA-N 1 2 212.249 -0.488 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC(=O)O1 ZINC000821369745 587112572 /nfs/dbraw/zinc/11/25/72/587112572.db2.gz WNVPGFPWNBDJMC-SFYZADRCSA-N 1 2 212.249 -0.488 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC(=O)O1 ZINC000821369746 587112858 /nfs/dbraw/zinc/11/28/58/587112858.db2.gz WNVPGFPWNBDJMC-YUMQZZPRSA-N 1 2 212.249 -0.488 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC(=O)O1 ZINC000821369746 587112856 /nfs/dbraw/zinc/11/28/56/587112856.db2.gz WNVPGFPWNBDJMC-YUMQZZPRSA-N 1 2 212.249 -0.488 20 0 BBADLO COCC[N@H+](CC(=O)OC)C[C@H]1CCC(=O)O1 ZINC000821373362 587113607 /nfs/dbraw/zinc/11/36/07/587113607.db2.gz GFSUAJDTUSQNHV-SECBINFHSA-N 1 2 245.275 -0.187 20 0 BBADLO COCC[N@@H+](CC(=O)OC)C[C@H]1CCC(=O)O1 ZINC000821373362 587113605 /nfs/dbraw/zinc/11/36/05/587113605.db2.gz GFSUAJDTUSQNHV-SECBINFHSA-N 1 2 245.275 -0.187 20 0 BBADLO COCC[N@H+](CC(=O)OC)C[C@@H]1CCC(=O)O1 ZINC000821373364 587113884 /nfs/dbraw/zinc/11/38/84/587113884.db2.gz GFSUAJDTUSQNHV-VIFPVBQESA-N 1 2 245.275 -0.187 20 0 BBADLO COCC[N@@H+](CC(=O)OC)C[C@@H]1CCC(=O)O1 ZINC000821373364 587113883 /nfs/dbraw/zinc/11/38/83/587113883.db2.gz GFSUAJDTUSQNHV-VIFPVBQESA-N 1 2 245.275 -0.187 20 0 BBADLO CC1(C)C(=O)NCC[N@@H+]1C[C@H]1CCC(=O)O1 ZINC000821373593 587113725 /nfs/dbraw/zinc/11/37/25/587113725.db2.gz IGTYYDOZFNQGJY-MRVPVSSYSA-N 1 2 226.276 -0.098 20 0 BBADLO CC1(C)C(=O)NCC[N@H+]1C[C@H]1CCC(=O)O1 ZINC000821373593 587113723 /nfs/dbraw/zinc/11/37/23/587113723.db2.gz IGTYYDOZFNQGJY-MRVPVSSYSA-N 1 2 226.276 -0.098 20 0 BBADLO CC1(C)C(=O)NCC[N@@H+]1C[C@@H]1CCC(=O)O1 ZINC000821373596 587113841 /nfs/dbraw/zinc/11/38/41/587113841.db2.gz IGTYYDOZFNQGJY-QMMMGPOBSA-N 1 2 226.276 -0.098 20 0 BBADLO CC1(C)C(=O)NCC[N@H+]1C[C@@H]1CCC(=O)O1 ZINC000821373596 587113838 /nfs/dbraw/zinc/11/38/38/587113838.db2.gz IGTYYDOZFNQGJY-QMMMGPOBSA-N 1 2 226.276 -0.098 20 0 BBADLO CC1(C)C(=O)NCC[N@@H+]1CCc1c[nH]nn1 ZINC000821374275 587113762 /nfs/dbraw/zinc/11/37/62/587113762.db2.gz NPYYZNDVVHROGF-UHFFFAOYSA-N 1 2 223.280 -0.442 20 0 BBADLO CC1(C)C(=O)NCC[N@H+]1CCc1c[nH]nn1 ZINC000821374275 587113761 /nfs/dbraw/zinc/11/37/61/587113761.db2.gz NPYYZNDVVHROGF-UHFFFAOYSA-N 1 2 223.280 -0.442 20 0 BBADLO CC1(C)C(=O)NCC[N@@H+]1CCc1cn[nH]n1 ZINC000821374275 587113759 /nfs/dbraw/zinc/11/37/59/587113759.db2.gz NPYYZNDVVHROGF-UHFFFAOYSA-N 1 2 223.280 -0.442 20 0 BBADLO CC1(C)C(=O)NCC[N@H+]1CCc1cn[nH]n1 ZINC000821374275 587113757 /nfs/dbraw/zinc/11/37/57/587113757.db2.gz NPYYZNDVVHROGF-UHFFFAOYSA-N 1 2 223.280 -0.442 20 0 BBADLO CN1CC[N@@H+](C[C@H]2CCC(=O)O2)CC1=O ZINC000821380454 587114058 /nfs/dbraw/zinc/11/40/58/587114058.db2.gz QGPYLJJWEKJNLY-MRVPVSSYSA-N 1 2 212.249 -0.534 20 0 BBADLO CN1CC[N@H+](C[C@H]2CCC(=O)O2)CC1=O ZINC000821380454 587114057 /nfs/dbraw/zinc/11/40/57/587114057.db2.gz QGPYLJJWEKJNLY-MRVPVSSYSA-N 1 2 212.249 -0.534 20 0 BBADLO CN1CC[N@@H+](C[C@@H]2CCC(=O)O2)CC1=O ZINC000821380455 587114149 /nfs/dbraw/zinc/11/41/49/587114149.db2.gz QGPYLJJWEKJNLY-QMMMGPOBSA-N 1 2 212.249 -0.534 20 0 BBADLO CN1CC[N@H+](C[C@@H]2CCC(=O)O2)CC1=O ZINC000821380455 587114147 /nfs/dbraw/zinc/11/41/47/587114147.db2.gz QGPYLJJWEKJNLY-QMMMGPOBSA-N 1 2 212.249 -0.534 20 0 BBADLO CO[C@@H]1C[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000821385151 587115064 /nfs/dbraw/zinc/11/50/64/587115064.db2.gz HAMKEARQIOLCDF-FXBDTBDDSA-N 1 2 221.260 -0.041 20 0 BBADLO CO[C@@H]1C[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000821385152 587114727 /nfs/dbraw/zinc/11/47/27/587114727.db2.gz HAMKEARQIOLCDF-SZEHBUNVSA-N 1 2 221.260 -0.041 20 0 BBADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cc(=O)cc[nH]1 ZINC000821385686 587115370 /nfs/dbraw/zinc/11/53/70/587115370.db2.gz NEMAIIZYMUOOKO-MRVPVSSYSA-N 1 2 244.254 -0.074 20 0 BBADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cc(=O)cc[nH]1 ZINC000821385688 587115224 /nfs/dbraw/zinc/11/52/24/587115224.db2.gz NEMAIIZYMUOOKO-QMMMGPOBSA-N 1 2 244.254 -0.074 20 0 BBADLO CCn1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)nn1 ZINC000821386562 587115395 /nfs/dbraw/zinc/11/53/95/587115395.db2.gz UOVKUBCDOBPVGN-MRVPVSSYSA-N 1 2 246.274 -0.151 20 0 BBADLO CCn1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)nn1 ZINC000821386563 587115431 /nfs/dbraw/zinc/11/54/31/587115431.db2.gz UOVKUBCDOBPVGN-QMMMGPOBSA-N 1 2 246.274 -0.151 20 0 BBADLO c1[nH]nnc1CC[N@H+]1CCC2(C1)OCCO2 ZINC000821391883 587116009 /nfs/dbraw/zinc/11/60/09/587116009.db2.gz RVXCULYDNDCCNW-UHFFFAOYSA-N 1 2 224.264 -0.204 20 0 BBADLO c1[nH]nnc1CC[N@@H+]1CCC2(C1)OCCO2 ZINC000821391883 587116008 /nfs/dbraw/zinc/11/60/08/587116008.db2.gz RVXCULYDNDCCNW-UHFFFAOYSA-N 1 2 224.264 -0.204 20 0 BBADLO NC(=O)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000821476024 587121538 /nfs/dbraw/zinc/12/15/38/587121538.db2.gz PSLMNHGLRJCLDG-MRVPVSSYSA-N 1 2 236.275 -0.181 20 0 BBADLO NC(=O)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000821476025 587121340 /nfs/dbraw/zinc/12/13/40/587121340.db2.gz PSLMNHGLRJCLDG-QMMMGPOBSA-N 1 2 236.275 -0.181 20 0 BBADLO COc1n[nH]c(NC(=O)C[NH+]2CCCC2)n1 ZINC000821486203 587121963 /nfs/dbraw/zinc/12/19/63/587121963.db2.gz AMQKFZPABAVUTE-UHFFFAOYSA-N 1 2 225.252 -0.152 20 0 BBADLO C[C@@H]1CN(C(=O)/C=C/c2cn(C)c[nH+]2)CC(=O)N1 ZINC000821505872 587123021 /nfs/dbraw/zinc/12/30/21/587123021.db2.gz GUPNBLACANNDDP-CDAZIORVSA-N 1 2 248.286 -0.220 20 0 BBADLO C[C@H]1CN(C(=O)/C=C/c2cn(C)c[nH+]2)CC(=O)N1 ZINC000821505880 587123033 /nfs/dbraw/zinc/12/30/33/587123033.db2.gz GUPNBLACANNDDP-NWALNABHSA-N 1 2 248.286 -0.220 20 0 BBADLO CC(C)(O)CONC(=O)NCCn1cc[nH+]c1 ZINC000821569120 587129102 /nfs/dbraw/zinc/12/91/02/587129102.db2.gz ZSVANGSHRDOHTD-UHFFFAOYSA-N 1 2 242.279 -0.115 20 0 BBADLO Cn1cc[nH+]c1CNC(=O)NOCC(C)(C)O ZINC000821570056 587129484 /nfs/dbraw/zinc/12/94/84/587129484.db2.gz GMGNLPTUIDCCHH-UHFFFAOYSA-N 1 2 242.279 -0.078 20 0 BBADLO Cn1c[nH+]c(/C=C/C(=O)N2CCC[C@@H]2C(N)=O)c1 ZINC000821736377 587136269 /nfs/dbraw/zinc/13/62/69/587136269.db2.gz DTUIHUZHHKZMKT-ORAHPGNNSA-N 1 2 248.286 -0.090 20 0 BBADLO O=C(Cc1[nH]cc[nH+]1)NCCNc1ncccn1 ZINC000821812120 587139483 /nfs/dbraw/zinc/13/94/83/587139483.db2.gz OUFIGMKEOVAHIC-UHFFFAOYSA-N 1 2 246.274 -0.030 20 0 BBADLO CCc1c[nH]c(CC(=O)NCCn2ccnn2)[nH+]1 ZINC000821829430 587141297 /nfs/dbraw/zinc/14/12/97/587141297.db2.gz MPTKCNMMBSHYQC-UHFFFAOYSA-N 1 2 248.290 -0.078 20 0 BBADLO C[C@@H](C[S@@](C)=O)NC(=O)C[NH+]1CCCC1 ZINC000821862386 587144600 /nfs/dbraw/zinc/14/46/00/587144600.db2.gz SJRWEEQXEFRMTC-BJOHPYRUSA-N 1 2 232.349 -0.035 20 0 BBADLO C[C@H](C[S@](C)=O)NC(=O)C[NH+]1CCCC1 ZINC000821862394 587144552 /nfs/dbraw/zinc/14/45/52/587144552.db2.gz SJRWEEQXEFRMTC-PSLIRLAXSA-N 1 2 232.349 -0.035 20 0 BBADLO C[C@H](C[S@@](C)=O)NC(=O)C[NH+]1CCCC1 ZINC000821862396 587144670 /nfs/dbraw/zinc/14/46/70/587144670.db2.gz SJRWEEQXEFRMTC-RFAUZJTJSA-N 1 2 232.349 -0.035 20 0 BBADLO C[C@@H](C[S@](C)=O)NC(=O)C[NH+]1CCCC1 ZINC000821862398 587144759 /nfs/dbraw/zinc/14/47/59/587144759.db2.gz SJRWEEQXEFRMTC-VFZGTOFNSA-N 1 2 232.349 -0.035 20 0 BBADLO Cn1cc(C(=O)NCCn2cc[nH+]c2)[nH]c1=O ZINC000821930861 587147320 /nfs/dbraw/zinc/14/73/20/587147320.db2.gz MRDGPGAKUCXQTR-UHFFFAOYSA-N 1 2 235.247 -0.248 20 0 BBADLO C[C@@H](C(=O)NCCC1N=NC(=S)O1)[NH+](C)C ZINC000822044501 587150157 /nfs/dbraw/zinc/15/01/57/587150157.db2.gz XCQBAFPUKKYFQY-LURJTMIESA-N 1 2 244.320 -0.033 20 0 BBADLO C[C@@H](C(=O)NCCc1n[nH]c(=S)o1)[NH+](C)C ZINC000822044501 587150156 /nfs/dbraw/zinc/15/01/56/587150156.db2.gz XCQBAFPUKKYFQY-LURJTMIESA-N 1 2 244.320 -0.033 20 0 BBADLO C[C@H](C(=O)NCCC1N=NC(=S)O1)[NH+](C)C ZINC000822044502 587150002 /nfs/dbraw/zinc/15/00/02/587150002.db2.gz XCQBAFPUKKYFQY-ZCFIWIBFSA-N 1 2 244.320 -0.033 20 0 BBADLO C[C@H](C(=O)NCCc1n[nH]c(=S)o1)[NH+](C)C ZINC000822044502 587150000 /nfs/dbraw/zinc/15/00/00/587150000.db2.gz XCQBAFPUKKYFQY-ZCFIWIBFSA-N 1 2 244.320 -0.033 20 0 BBADLO CC(C)(C[NH+]1CCOCC1)C(=O)NOCCO ZINC000822062838 587151028 /nfs/dbraw/zinc/15/10/28/587151028.db2.gz UXVDEDZGJINYDL-UHFFFAOYSA-N 1 2 246.307 -0.615 20 0 BBADLO COC(OC)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000822153975 587156863 /nfs/dbraw/zinc/15/68/63/587156863.db2.gz CJOPAMRSVGOEFP-SECBINFHSA-N 1 2 246.307 -0.870 20 0 BBADLO COC(OC)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000822153975 587156862 /nfs/dbraw/zinc/15/68/62/587156862.db2.gz CJOPAMRSVGOEFP-SECBINFHSA-N 1 2 246.307 -0.870 20 0 BBADLO COC(OC)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000822154057 587157127 /nfs/dbraw/zinc/15/71/27/587157127.db2.gz CJOPAMRSVGOEFP-VIFPVBQESA-N 1 2 246.307 -0.870 20 0 BBADLO COC(OC)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000822154057 587157126 /nfs/dbraw/zinc/15/71/26/587157126.db2.gz CJOPAMRSVGOEFP-VIFPVBQESA-N 1 2 246.307 -0.870 20 0 BBADLO Cc1[nH]c(C(=O)N[C@H](CO)[C@@H](C)O)c[nH+]1 ZINC000822527148 587173346 /nfs/dbraw/zinc/17/33/46/587173346.db2.gz OQRHMYQPVCRBMV-SVGQVSJJSA-N 1 2 213.237 -0.810 20 0 BBADLO C[C@@H](O)[C@@H](CO)NC(=O)CNc1cccc[nH+]1 ZINC000822538519 587174199 /nfs/dbraw/zinc/17/41/99/587174199.db2.gz STBJFMJEOWVGAF-RKDXNWHRSA-N 1 2 239.275 -0.649 20 0 BBADLO C[C@@H](O)[C@@H](CO)NC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000822542944 587174578 /nfs/dbraw/zinc/17/45/78/587174578.db2.gz LESLKRJUFJPGHE-CCIFHCDCSA-N 1 2 239.275 -0.709 20 0 BBADLO C[C@@H](O)[C@@H](CO)NC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000822542948 587174409 /nfs/dbraw/zinc/17/44/09/587174409.db2.gz LESLKRJUFJPGHE-KHSHYHJCSA-N 1 2 239.275 -0.709 20 0 BBADLO CCc1c[nH]c(CC(=O)N[C@H](CO)[C@@H](C)O)[nH+]1 ZINC000822543350 587174631 /nfs/dbraw/zinc/17/46/31/587174631.db2.gz ULKAJFZGQYTTFO-VXNVDRBHSA-N 1 2 241.291 -0.628 20 0 BBADLO Cn1c[nH+]c(/C=C/C(=O)NC[C@H]2COCO2)c1 ZINC000822575572 587176005 /nfs/dbraw/zinc/17/60/05/587176005.db2.gz VIYGWDRJTCRYIP-PBKGFPTLSA-N 1 2 237.259 -0.078 20 0 BBADLO Cn1c[nH+]c(/C=C/C(=O)NC[C@@H]2COCO2)c1 ZINC000822575573 587175786 /nfs/dbraw/zinc/17/57/86/587175786.db2.gz VIYGWDRJTCRYIP-VMZHVLLKSA-N 1 2 237.259 -0.078 20 0 BBADLO CCC[C@H](O)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000822588927 587176670 /nfs/dbraw/zinc/17/66/70/587176670.db2.gz SQUPYVZGYFJKMT-VWYCJHECSA-N 1 2 242.319 -0.311 20 0 BBADLO CCC[C@H](O)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000822588927 587176669 /nfs/dbraw/zinc/17/66/69/587176669.db2.gz SQUPYVZGYFJKMT-VWYCJHECSA-N 1 2 242.319 -0.311 20 0 BBADLO Cn1cc[nH+]c1CNc1n[nH]cc1-c1nn[nH]n1 ZINC000822699081 587181964 /nfs/dbraw/zinc/18/19/64/587181964.db2.gz NNPCPCSCIRSNEA-UHFFFAOYSA-N 1 2 245.250 -0.065 20 0 BBADLO COC(=O)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000822753873 587184300 /nfs/dbraw/zinc/18/43/00/587184300.db2.gz HFHIZFQLPJJOBQ-MRVPVSSYSA-N 1 2 237.259 -0.026 20 0 BBADLO COC(=O)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000822753874 587184034 /nfs/dbraw/zinc/18/40/34/587184034.db2.gz HFHIZFQLPJJOBQ-QMMMGPOBSA-N 1 2 237.259 -0.026 20 0 BBADLO C[N@H+]1CCCC[C@H]1C(=O)O[C@H]1CNOC1 ZINC000822843062 587188763 /nfs/dbraw/zinc/18/87/63/587188763.db2.gz HQEIDTHURZGVCK-IUCAKERBSA-N 1 2 214.265 -0.083 20 0 BBADLO C[N@@H+]1CCCC[C@H]1C(=O)O[C@H]1CNOC1 ZINC000822843062 587188761 /nfs/dbraw/zinc/18/87/61/587188761.db2.gz HQEIDTHURZGVCK-IUCAKERBSA-N 1 2 214.265 -0.083 20 0 BBADLO CCc1c[nH]c(CC(=O)O[C@H]2CNOC2)[nH+]1 ZINC000822843472 587188816 /nfs/dbraw/zinc/18/88/16/587188816.db2.gz OEEVXYJPUCCISY-QMMMGPOBSA-N 1 2 225.248 -0.039 20 0 BBADLO O=C(O[C@H]1CNOC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000822843739 587188966 /nfs/dbraw/zinc/18/89/66/587188966.db2.gz SKWBNBYYHPCMKF-XLPZGREQSA-N 1 2 223.232 -0.040 20 0 BBADLO O=C(O[C@H]1CNOC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000822843739 587188964 /nfs/dbraw/zinc/18/89/64/587188964.db2.gz SKWBNBYYHPCMKF-XLPZGREQSA-N 1 2 223.232 -0.040 20 0 BBADLO O=C(C[NH+]1CCCC1)O[C@H]1CNOC1 ZINC000822843838 587188820 /nfs/dbraw/zinc/18/88/20/587188820.db2.gz UIIWVLHDMALJQV-QMMMGPOBSA-N 1 2 200.238 -0.471 20 0 BBADLO COC(OC)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000822863469 587189611 /nfs/dbraw/zinc/18/96/11/587189611.db2.gz UOOMDZWPAJYQMZ-MRVPVSSYSA-N 1 2 239.275 -0.067 20 0 BBADLO COC(OC)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000822863475 587189906 /nfs/dbraw/zinc/18/99/06/587189906.db2.gz UOOMDZWPAJYQMZ-QMMMGPOBSA-N 1 2 239.275 -0.067 20 0 BBADLO CCc1c[nH]c(CC(=O)NCc2cnn(C)n2)[nH+]1 ZINC000822917514 587192959 /nfs/dbraw/zinc/19/29/59/587192959.db2.gz ANHDYTOIMSJDQS-UHFFFAOYSA-N 1 2 248.290 -0.041 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)[C@H]1C[C@@H](O)C1 ZINC000822998206 587197092 /nfs/dbraw/zinc/19/70/92/587197092.db2.gz UOVHUOKRKPYFFZ-OTSSQURYSA-N 1 2 209.249 -0.193 20 0 BBADLO CCc1c[nH]c(CC(=O)N[C@@H]2COC(=O)C2)[nH+]1 ZINC000823054062 587200131 /nfs/dbraw/zinc/20/01/31/587200131.db2.gz XDAHFDWUIUPGSQ-QMMMGPOBSA-N 1 2 237.259 -0.054 20 0 BBADLO CCCNC(=O)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000823068503 587200684 /nfs/dbraw/zinc/20/06/84/587200684.db2.gz SXJKXOHNIIPICZ-UHFFFAOYSA-N 1 2 238.291 -0.015 20 0 BBADLO CCn1ncn(NC(=O)C[NH+]2CCCC2)c1=O ZINC000823128981 587204078 /nfs/dbraw/zinc/20/40/78/587204078.db2.gz BRPHKTJZURJVNO-UHFFFAOYSA-N 1 2 239.279 -0.769 20 0 BBADLO CCn1ncn(NC(=O)[C@@H](C)[NH+](C)C)c1=O ZINC000823129673 587204087 /nfs/dbraw/zinc/20/40/87/587204087.db2.gz HQZSEZUVAKPLNH-SSDOTTSWSA-N 1 2 227.268 -0.915 20 0 BBADLO O=C(C[NH+]1CCCC1)NCCc1nc[nH]n1 ZINC000823213007 587208503 /nfs/dbraw/zinc/20/85/03/587208503.db2.gz AZBLQIXFCREGQH-UHFFFAOYSA-N 1 2 223.280 -0.441 20 0 BBADLO C[NH+](C)CCONC(=O)CCCc1nn[nH]n1 ZINC000823254858 587211533 /nfs/dbraw/zinc/21/15/33/587211533.db2.gz GJKINZQBMKCHRK-UHFFFAOYSA-N 1 2 242.283 -0.868 20 0 BBADLO Cn1c[nH+]c(/C=C/C(=O)N2CC(C)(C(N)=O)C2)c1 ZINC000823433401 587221115 /nfs/dbraw/zinc/22/11/15/587221115.db2.gz ZFKABHTXKQQQQS-ONEGZZNKSA-N 1 2 248.286 -0.233 20 0 BBADLO CS(=O)(=O)C1CN(C(=O)C[NH+]2CCCC2)C1 ZINC000823463824 587223914 /nfs/dbraw/zinc/22/39/14/587223914.db2.gz OHBHUUXUQZVHHG-UHFFFAOYSA-N 1 2 246.332 -0.662 20 0 BBADLO CCC(=O)N1CC[N@@H+](CCC(=O)N(C)OC)C1 ZINC000823497777 587227558 /nfs/dbraw/zinc/22/75/58/587227558.db2.gz OKRFNTYLQJMXIH-UHFFFAOYSA-N 1 2 243.307 -0.092 20 0 BBADLO CCC(=O)N1CC[N@H+](CCC(=O)N(C)OC)C1 ZINC000823497777 587227556 /nfs/dbraw/zinc/22/75/56/587227556.db2.gz OKRFNTYLQJMXIH-UHFFFAOYSA-N 1 2 243.307 -0.092 20 0 BBADLO O=C(Cc1[nH]cc[nH+]1)NCCNc1cnccn1 ZINC000823520094 587228930 /nfs/dbraw/zinc/22/89/30/587228930.db2.gz SHFHHPHSAZKACF-UHFFFAOYSA-N 1 2 246.274 -0.030 20 0 BBADLO O=C(Cc1[nH]cc[nH+]1)NCCn1cccn1 ZINC000823530936 587229717 /nfs/dbraw/zinc/22/97/17/587229717.db2.gz PEVYIIKJQNBLRJ-UHFFFAOYSA-N 1 2 219.248 -0.035 20 0 BBADLO C[C@H](C(=O)NCCS(=O)(=O)C1CC1)[NH+](C)C ZINC000823593756 645046067 /nfs/dbraw/zinc/04/60/67/645046067.db2.gz HRYGNUUBLWWONW-MRVPVSSYSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@@H](C(=O)NCCS(=O)(=O)C1CC1)[NH+](C)C ZINC000823593757 645046483 /nfs/dbraw/zinc/04/64/83/645046483.db2.gz HRYGNUUBLWWONW-QMMMGPOBSA-N 1 2 248.348 -0.370 20 0 BBADLO CCN(CC)C(=O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000823741269 587238586 /nfs/dbraw/zinc/23/85/86/587238586.db2.gz JXBIMQKQXUNIPB-UHFFFAOYSA-N 1 2 238.291 -0.063 20 0 BBADLO C[C@H](C(=O)NCC(=O)N=S(C)(C)=O)[NH+](C)C ZINC000823775424 587240346 /nfs/dbraw/zinc/24/03/46/587240346.db2.gz BCXFSTVSUSDNKA-SSDOTTSWSA-N 1 2 249.336 -0.693 20 0 BBADLO Cn1c[nH+]c(/C=C/C(=O)N[C@H]2C[C@@H](C(N)=O)C2)c1 ZINC000823942679 587246550 /nfs/dbraw/zinc/24/65/50/587246550.db2.gz RRTQYOVQNMEIHS-FEHWTGTHSA-N 1 2 248.286 -0.187 20 0 BBADLO CCONC(=O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000824220105 587260780 /nfs/dbraw/zinc/26/07/80/587260780.db2.gz BRSCUSOLLWLKHO-SECBINFHSA-N 1 2 243.307 -0.488 20 0 BBADLO CCONC(=O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000824220105 587260779 /nfs/dbraw/zinc/26/07/79/587260779.db2.gz BRSCUSOLLWLKHO-SECBINFHSA-N 1 2 243.307 -0.488 20 0 BBADLO CCONC(=O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000824220106 587260530 /nfs/dbraw/zinc/26/05/30/587260530.db2.gz BRSCUSOLLWLKHO-VIFPVBQESA-N 1 2 243.307 -0.488 20 0 BBADLO CCONC(=O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000824220106 587260529 /nfs/dbraw/zinc/26/05/29/587260529.db2.gz BRSCUSOLLWLKHO-VIFPVBQESA-N 1 2 243.307 -0.488 20 0 BBADLO CCONC(=O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC000824220138 587260818 /nfs/dbraw/zinc/26/08/18/587260818.db2.gz CZWMDLFWONHDLT-UHFFFAOYSA-N 1 2 243.307 -0.488 20 0 BBADLO CCONC(=O)CNC(=O)[C@@H](C)[NH+](C)C ZINC000824220178 587261188 /nfs/dbraw/zinc/26/11/88/587261188.db2.gz FKGYRESFNAFUIQ-SSDOTTSWSA-N 1 2 217.269 -0.880 20 0 BBADLO CCONC(=O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000824220546 587261342 /nfs/dbraw/zinc/26/13/42/587261342.db2.gz URCRNWOYVFADIA-VIFPVBQESA-N 1 2 243.307 -0.345 20 0 BBADLO CCONC(=O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000824220546 587261340 /nfs/dbraw/zinc/26/13/40/587261340.db2.gz URCRNWOYVFADIA-VIFPVBQESA-N 1 2 243.307 -0.345 20 0 BBADLO CCONC(=O)CNC(=O)C[NH+]1CCCC1 ZINC000824220622 587261477 /nfs/dbraw/zinc/26/14/77/587261477.db2.gz XZYJMHCFZNMQTP-UHFFFAOYSA-N 1 2 229.280 -0.734 20 0 BBADLO CCOC(=O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000824241067 587263002 /nfs/dbraw/zinc/26/30/02/587263002.db2.gz SNRGGMFEAQDJQQ-UHFFFAOYSA-N 1 2 225.248 -0.026 20 0 BBADLO CN(Cc1c[nH]c[nH+]1)C(=O)CN1CCOC1=O ZINC000824354864 587267299 /nfs/dbraw/zinc/26/72/99/587267299.db2.gz GBPPQGTVXICGSB-UHFFFAOYSA-N 1 2 238.247 -0.180 20 0 BBADLO CN(Cc1c[nH+]c[nH]1)C(=O)CN1CCOC1=O ZINC000824354864 587267297 /nfs/dbraw/zinc/26/72/97/587267297.db2.gz GBPPQGTVXICGSB-UHFFFAOYSA-N 1 2 238.247 -0.180 20 0 BBADLO CON(C)CCCNC(=O)Cn1cc[nH+]c1 ZINC000824537437 587274225 /nfs/dbraw/zinc/27/42/25/587274225.db2.gz ZXEQLPFSJALLEW-UHFFFAOYSA-N 1 2 226.280 -0.117 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)NOCC(C)(C)O ZINC000824556737 587276336 /nfs/dbraw/zinc/27/63/36/587276336.db2.gz DSMKORKRQFBWRW-UHFFFAOYSA-N 1 2 242.279 -0.078 20 0 BBADLO CON(C)CCCNC(=O)Cc1c[nH+]cn1C ZINC000824560139 587276211 /nfs/dbraw/zinc/27/62/11/587276211.db2.gz HVUZYBGVHATJMT-UHFFFAOYSA-N 1 2 240.307 -0.038 20 0 BBADLO CON(C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000824573847 587277326 /nfs/dbraw/zinc/27/73/26/587277326.db2.gz JWEGWQPLNJQKQX-UHFFFAOYSA-N 1 2 226.280 -0.048 20 0 BBADLO CON(C)CCCNC(=O)Cc1c[nH+]c[nH]1 ZINC000824596355 587278560 /nfs/dbraw/zinc/27/85/60/587278560.db2.gz HEBODTWQZZVSLG-UHFFFAOYSA-N 1 2 226.280 -0.048 20 0 BBADLO CON(C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000824596355 587278558 /nfs/dbraw/zinc/27/85/58/587278558.db2.gz HEBODTWQZZVSLG-UHFFFAOYSA-N 1 2 226.280 -0.048 20 0 BBADLO CCc1c[nH]c(CC(=O)NN2CCOC2=O)[nH+]1 ZINC000824889935 587292090 /nfs/dbraw/zinc/29/20/90/587292090.db2.gz LTWKQLGKQBCZDI-UHFFFAOYSA-N 1 2 238.247 -0.002 20 0 BBADLO O=C(C[NH+]1CCCC1)N[C@@H]1COCCC1=O ZINC000824975471 587296276 /nfs/dbraw/zinc/29/62/76/587296276.db2.gz IKYWIGAHZZAZPA-SECBINFHSA-N 1 2 226.276 -0.444 20 0 BBADLO O=C(C[NH+]1CCCC1)N[C@H]1COCCC1=O ZINC000824975473 587296358 /nfs/dbraw/zinc/29/63/58/587296358.db2.gz IKYWIGAHZZAZPA-VIFPVBQESA-N 1 2 226.276 -0.444 20 0 BBADLO Cc1ccccc1[C@H]1CN(C(=O)C(N)=O)CC[NH2+]1 ZINC000825154579 587307180 /nfs/dbraw/zinc/30/71/80/587307180.db2.gz WCRLZLJVRSAPEP-LLVKDONJSA-N 1 2 247.298 -0.047 20 0 BBADLO Cc1ccccc1[C@@H]1CN(C(=O)C(N)=O)CC[NH2+]1 ZINC000825154581 587307233 /nfs/dbraw/zinc/30/72/33/587307233.db2.gz WCRLZLJVRSAPEP-NSHDSACASA-N 1 2 247.298 -0.047 20 0 BBADLO NC(=O)C(=O)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC000825199465 587309521 /nfs/dbraw/zinc/30/95/21/587309521.db2.gz ZVHUFFZRDHOYNU-JTQLQIEISA-N 1 2 249.270 -0.650 20 0 BBADLO NC(=O)C(=O)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC000825199466 587309929 /nfs/dbraw/zinc/30/99/29/587309929.db2.gz ZVHUFFZRDHOYNU-SNVBAGLBSA-N 1 2 249.270 -0.650 20 0 BBADLO Cn1c[nH+]c(/C=C/C(=O)NC2=NCC(=O)N2C)c1 ZINC000825295508 587313232 /nfs/dbraw/zinc/31/32/32/587313232.db2.gz JJGOTUQZMZSBLH-ONEGZZNKSA-N 1 2 247.258 -0.623 20 0 BBADLO CCc1c[nH]c(CC(=O)NC[C@H](O)[C@@H](C)O)[nH+]1 ZINC000825350281 587316613 /nfs/dbraw/zinc/31/66/13/587316613.db2.gz NPIYXCRWBYJTBV-APPZFPTMSA-N 1 2 241.291 -0.628 20 0 BBADLO CCc1c[nH]c(CC(=O)NC[C@H](O)[C@H](C)O)[nH+]1 ZINC000825350284 587316327 /nfs/dbraw/zinc/31/63/27/587316327.db2.gz NPIYXCRWBYJTBV-CBAPKCEASA-N 1 2 241.291 -0.628 20 0 BBADLO CCc1c[nH]c(CC(=O)NC[C@@H](O)[C@H](C)O)[nH+]1 ZINC000825350286 587316459 /nfs/dbraw/zinc/31/64/59/587316459.db2.gz NPIYXCRWBYJTBV-IONNQARKSA-N 1 2 241.291 -0.628 20 0 BBADLO CCc1c[nH]c(CC(=O)NC[C@@H](O)[C@@H](C)O)[nH+]1 ZINC000825350287 587316794 /nfs/dbraw/zinc/31/67/94/587316794.db2.gz NPIYXCRWBYJTBV-VXNVDRBHSA-N 1 2 241.291 -0.628 20 0 BBADLO COC(=O)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000825359034 587316968 /nfs/dbraw/zinc/31/69/68/587316968.db2.gz WZOYWNZFQVKUAC-SSDOTTSWSA-N 1 2 225.248 -0.123 20 0 BBADLO COC(=O)[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000825359035 587316911 /nfs/dbraw/zinc/31/69/11/587316911.db2.gz WZOYWNZFQVKUAC-ZETCQYMHSA-N 1 2 225.248 -0.123 20 0 BBADLO CO[C@@H]1C[C@H]1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000825526188 587323619 /nfs/dbraw/zinc/32/36/19/587323619.db2.gz DWSHRFYGWNNOCW-KHQFGBGNSA-N 1 2 239.275 -0.395 20 0 BBADLO CO[C@@H]1C[C@H]1C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000825526189 587323528 /nfs/dbraw/zinc/32/35/28/587323528.db2.gz DWSHRFYGWNNOCW-NQMVMOMDSA-N 1 2 239.275 -0.395 20 0 BBADLO CCC[C@H](O)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000825531192 587323663 /nfs/dbraw/zinc/32/36/63/587323663.db2.gz IQVIEEJVFIZPIK-SCZZXKLOSA-N 1 2 241.291 -0.269 20 0 BBADLO CCC[C@H](O)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000825531196 587323780 /nfs/dbraw/zinc/32/37/80/587323780.db2.gz IQVIEEJVFIZPIK-WPRPVWTQSA-N 1 2 241.291 -0.269 20 0 BBADLO C[C@@H]1C(=O)NCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000825591172 587326108 /nfs/dbraw/zinc/32/61/08/587326108.db2.gz HZHBRQBNBOBDAT-SSDOTTSWSA-N 1 2 222.248 -0.701 20 0 BBADLO C[C@H]1C(=O)NCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000825591173 587326208 /nfs/dbraw/zinc/32/62/08/587326208.db2.gz HZHBRQBNBOBDAT-ZETCQYMHSA-N 1 2 222.248 -0.701 20 0 BBADLO CCS(=O)(=O)CCNC(=O)C1([NH+](C)C)CC1 ZINC000825749023 587336966 /nfs/dbraw/zinc/33/69/66/587336966.db2.gz LUCZAELUEOYMAI-UHFFFAOYSA-N 1 2 248.348 -0.369 20 0 BBADLO Cn1ncc(CCC(=O)Nc2cc[nH+]cc2O)n1 ZINC000825771723 587338535 /nfs/dbraw/zinc/33/85/35/587338535.db2.gz ZOBASRKIBAIOIP-UHFFFAOYSA-N 1 2 247.258 -0.091 20 0 BBADLO CN(CCS(C)(=O)=O)C(=O)C1([NH+](C)C)CC1 ZINC000825785238 587338779 /nfs/dbraw/zinc/33/87/79/587338779.db2.gz YBCZKHHGGRFXIX-UHFFFAOYSA-N 1 2 248.348 -0.416 20 0 BBADLO C[N@@H+](CC(N)=O)Cc1ccc(-c2nn[nH]n2)o1 ZINC000825901893 587345010 /nfs/dbraw/zinc/34/50/10/587345010.db2.gz LLWANCCDILGEIN-UHFFFAOYSA-N 1 2 236.235 -0.623 20 0 BBADLO C[N@H+](CC(N)=O)Cc1ccc(-c2nn[nH]n2)o1 ZINC000825901893 587345009 /nfs/dbraw/zinc/34/50/09/587345009.db2.gz LLWANCCDILGEIN-UHFFFAOYSA-N 1 2 236.235 -0.623 20 0 BBADLO CC1(C)C(=O)NCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000825948608 587346758 /nfs/dbraw/zinc/34/67/58/587346758.db2.gz FRUHIASRUVHATC-UHFFFAOYSA-N 1 2 236.275 -0.311 20 0 BBADLO C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CN(C(=O)[O-])C1 ZINC000826048221 587349270 /nfs/dbraw/zinc/34/92/70/587349270.db2.gz HLEBUDSGLPEFTG-APPZFPTMSA-N 1 2 213.281 -0.112 20 0 BBADLO C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CN(C(=O)[O-])C1 ZINC000826048221 587349269 /nfs/dbraw/zinc/34/92/69/587349269.db2.gz HLEBUDSGLPEFTG-APPZFPTMSA-N 1 2 213.281 -0.112 20 0 BBADLO C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CN(C(=O)[O-])C1 ZINC000826048223 587349522 /nfs/dbraw/zinc/34/95/22/587349522.db2.gz HLEBUDSGLPEFTG-CBAPKCEASA-N 1 2 213.281 -0.112 20 0 BBADLO C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CN(C(=O)[O-])C1 ZINC000826048223 587349521 /nfs/dbraw/zinc/34/95/21/587349521.db2.gz HLEBUDSGLPEFTG-CBAPKCEASA-N 1 2 213.281 -0.112 20 0 BBADLO C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CN(C(=O)[O-])C1 ZINC000826048224 587349317 /nfs/dbraw/zinc/34/93/17/587349317.db2.gz HLEBUDSGLPEFTG-IONNQARKSA-N 1 2 213.281 -0.112 20 0 BBADLO C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CN(C(=O)[O-])C1 ZINC000826048224 587349316 /nfs/dbraw/zinc/34/93/16/587349316.db2.gz HLEBUDSGLPEFTG-IONNQARKSA-N 1 2 213.281 -0.112 20 0 BBADLO C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CN(C(=O)[O-])C1 ZINC000826048225 587349534 /nfs/dbraw/zinc/34/95/34/587349534.db2.gz HLEBUDSGLPEFTG-VXNVDRBHSA-N 1 2 213.281 -0.112 20 0 BBADLO C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CN(C(=O)[O-])C1 ZINC000826048225 587349533 /nfs/dbraw/zinc/34/95/33/587349533.db2.gz HLEBUDSGLPEFTG-VXNVDRBHSA-N 1 2 213.281 -0.112 20 0 BBADLO C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNC(=O)[O-] ZINC000826050297 587350014 /nfs/dbraw/zinc/35/00/14/587350014.db2.gz VKDRPFCSYLDHPE-HTQZYQBOSA-N 1 2 201.270 -0.206 20 0 BBADLO C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCNC(=O)[O-] ZINC000826050297 587350013 /nfs/dbraw/zinc/35/00/13/587350013.db2.gz VKDRPFCSYLDHPE-HTQZYQBOSA-N 1 2 201.270 -0.206 20 0 BBADLO C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNC(=O)[O-] ZINC000826050298 587349850 /nfs/dbraw/zinc/34/98/50/587349850.db2.gz VKDRPFCSYLDHPE-JGVFFNPUSA-N 1 2 201.270 -0.206 20 0 BBADLO C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCNC(=O)[O-] ZINC000826050298 587349849 /nfs/dbraw/zinc/34/98/49/587349849.db2.gz VKDRPFCSYLDHPE-JGVFFNPUSA-N 1 2 201.270 -0.206 20 0 BBADLO C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCNC(=O)[O-] ZINC000826050299 587349103 /nfs/dbraw/zinc/34/91/03/587349103.db2.gz VKDRPFCSYLDHPE-SFYZADRCSA-N 1 2 201.270 -0.206 20 0 BBADLO C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCNC(=O)[O-] ZINC000826050299 587349102 /nfs/dbraw/zinc/34/91/02/587349102.db2.gz VKDRPFCSYLDHPE-SFYZADRCSA-N 1 2 201.270 -0.206 20 0 BBADLO C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCNC(=O)[O-] ZINC000826050300 587348961 /nfs/dbraw/zinc/34/89/61/587348961.db2.gz VKDRPFCSYLDHPE-YUMQZZPRSA-N 1 2 201.270 -0.206 20 0 BBADLO C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCNC(=O)[O-] ZINC000826050300 587348960 /nfs/dbraw/zinc/34/89/60/587348960.db2.gz VKDRPFCSYLDHPE-YUMQZZPRSA-N 1 2 201.270 -0.206 20 0 BBADLO CCN(CC(=O)OC)C(=O)Cc1[nH]cc[nH+]1 ZINC000826062698 587350176 /nfs/dbraw/zinc/35/01/76/587350176.db2.gz VGHGAHYLUZNFJY-UHFFFAOYSA-N 1 2 225.248 -0.026 20 0 BBADLO CCN(CC(=O)N(C)C)C(=O)Cc1[nH]cc[nH+]1 ZINC000826139615 587351166 /nfs/dbraw/zinc/35/11/66/587351166.db2.gz IIGUTRGLYRJNMC-UHFFFAOYSA-N 1 2 238.291 -0.111 20 0 BBADLO Cc1cc[nH+]c(N(C)CC(N)=O)c1-c1nn[nH]n1 ZINC000826309140 587352244 /nfs/dbraw/zinc/35/22/44/587352244.db2.gz FQTWFWXNUNHOSZ-UHFFFAOYSA-N 1 2 247.262 -0.508 20 0 BBADLO Cc1cc[nH+]c(N2CC(O)C2)c1-c1nn[nH]n1 ZINC000826309417 587352319 /nfs/dbraw/zinc/35/23/19/587352319.db2.gz OGMWQCJQDKNORB-UHFFFAOYSA-N 1 2 232.247 -0.249 20 0 BBADLO Cc1cc[nH+]c(N(C)CCO)c1-c1nn[nH]n1 ZINC000826309479 587352349 /nfs/dbraw/zinc/35/23/49/587352349.db2.gz QKXIUSIQXMTZSG-UHFFFAOYSA-N 1 2 234.263 -0.001 20 0 BBADLO Cc1cc[nH+]c(N[C@@H](C)C(N)=O)c1-c1nn[nH]n1 ZINC000826311894 587352218 /nfs/dbraw/zinc/35/22/18/587352218.db2.gz QIKFICODQBBARP-LURJTMIESA-N 1 2 247.262 -0.144 20 0 BBADLO Cc1cc[nH+]c(N[C@H](C)C(N)=O)c1-c1nn[nH]n1 ZINC000826311895 587352112 /nfs/dbraw/zinc/35/21/12/587352112.db2.gz QIKFICODQBBARP-ZCFIWIBFSA-N 1 2 247.262 -0.144 20 0 BBADLO Cc1cc[nH+]c(NCCO)c1-c1nn[nH]n1 ZINC000826313326 587352061 /nfs/dbraw/zinc/35/20/61/587352061.db2.gz BZXVZBPYBNETKS-UHFFFAOYSA-N 1 2 220.236 -0.026 20 0 BBADLO Cn1cc[nH+]c1Cn1ccnc1-c1nn[nH]n1 ZINC000826364420 587352704 /nfs/dbraw/zinc/35/27/04/587352704.db2.gz VWEHGLUZJQMRRB-UHFFFAOYSA-N 1 2 230.235 -0.155 20 0 BBADLO Cn1c[nH+]cc1Cn1ccnc1-c1nn[nH]n1 ZINC000826365371 587352616 /nfs/dbraw/zinc/35/26/16/587352616.db2.gz LKQYAJOFGITSBM-UHFFFAOYSA-N 1 2 230.235 -0.155 20 0 BBADLO c1cn(-c2ccc(-c3nn[nH]n3)nn2)c[nH+]1 ZINC000826524928 587353828 /nfs/dbraw/zinc/35/38/28/587353828.db2.gz OWEVIOAZUZFQJB-UHFFFAOYSA-N 1 2 214.192 -0.158 20 0 BBADLO c1cn(CC[NH+]2CCOCC2)c(-c2nn[nH]n2)n1 ZINC000826525007 587353617 /nfs/dbraw/zinc/35/36/17/587353617.db2.gz RVJKRWPHQIRUSS-UHFFFAOYSA-N 1 2 249.278 -0.605 20 0 BBADLO c1cn(CCn2cc[nH+]c2)c(-c2nn[nH]n2)n1 ZINC000826525101 587353556 /nfs/dbraw/zinc/35/35/56/587353556.db2.gz WHHHPJOQPOFYEQ-UHFFFAOYSA-N 1 2 230.235 -0.040 20 0 BBADLO CN1CC(C(=O)N[C@@H]2CCC[N@@H+](C)C2)=NC1=O ZINC000826599792 587356212 /nfs/dbraw/zinc/35/62/12/587356212.db2.gz NLEDELQLTUCLRG-MRVPVSSYSA-N 1 2 238.291 -0.050 20 0 BBADLO CN1CC(C(=O)N[C@@H]2CCC[N@H+](C)C2)=NC1=O ZINC000826599792 587356211 /nfs/dbraw/zinc/35/62/11/587356211.db2.gz NLEDELQLTUCLRG-MRVPVSSYSA-N 1 2 238.291 -0.050 20 0 BBADLO CN1CC(C(=O)N[C@H]2CCC[N@@H+](C)C2)=NC1=O ZINC000826599793 587356244 /nfs/dbraw/zinc/35/62/44/587356244.db2.gz NLEDELQLTUCLRG-QMMMGPOBSA-N 1 2 238.291 -0.050 20 0 BBADLO CN1CC(C(=O)N[C@H]2CCC[N@H+](C)C2)=NC1=O ZINC000826599793 587356243 /nfs/dbraw/zinc/35/62/43/587356243.db2.gz NLEDELQLTUCLRG-QMMMGPOBSA-N 1 2 238.291 -0.050 20 0 BBADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(N)=O ZINC000826682700 587359032 /nfs/dbraw/zinc/35/90/32/587359032.db2.gz PTYUVPHBCCIBAP-JTQLQIEISA-N 1 2 233.271 -0.225 20 0 BBADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(N)=O ZINC000826682700 587359031 /nfs/dbraw/zinc/35/90/31/587359031.db2.gz PTYUVPHBCCIBAP-JTQLQIEISA-N 1 2 233.271 -0.225 20 0 BBADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C(N)=O ZINC000826682702 587359140 /nfs/dbraw/zinc/35/91/40/587359140.db2.gz PTYUVPHBCCIBAP-SNVBAGLBSA-N 1 2 233.271 -0.225 20 0 BBADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C(N)=O ZINC000826682702 587359139 /nfs/dbraw/zinc/35/91/39/587359139.db2.gz PTYUVPHBCCIBAP-SNVBAGLBSA-N 1 2 233.271 -0.225 20 0 BBADLO CCC[C@H](O)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000826703262 587359526 /nfs/dbraw/zinc/35/95/26/587359526.db2.gz XANXHUPVRZJZNF-UWVGGRQHSA-N 1 2 230.308 -0.718 20 0 BBADLO CCC[C@H](O)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000826703262 587359525 /nfs/dbraw/zinc/35/95/25/587359525.db2.gz XANXHUPVRZJZNF-UWVGGRQHSA-N 1 2 230.308 -0.718 20 0 BBADLO CCC[C@H](O)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000826703263 587359457 /nfs/dbraw/zinc/35/94/57/587359457.db2.gz XANXHUPVRZJZNF-ZJUUUORDSA-N 1 2 230.308 -0.718 20 0 BBADLO CCC[C@H](O)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000826703263 587359456 /nfs/dbraw/zinc/35/94/56/587359456.db2.gz XANXHUPVRZJZNF-ZJUUUORDSA-N 1 2 230.308 -0.718 20 0 BBADLO CC[C@@H]1C(=O)NCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000826707789 587359764 /nfs/dbraw/zinc/35/97/64/587359764.db2.gz XTUWRBKJOYJZDS-MRVPVSSYSA-N 1 2 236.275 -0.311 20 0 BBADLO CC[C@H]1C(=O)NCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000826707793 587359736 /nfs/dbraw/zinc/35/97/36/587359736.db2.gz XTUWRBKJOYJZDS-QMMMGPOBSA-N 1 2 236.275 -0.311 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000826766140 587361496 /nfs/dbraw/zinc/36/14/96/587361496.db2.gz LAPXUMGMTLOYIZ-QMMMGPOBSA-N 1 2 248.242 -0.651 20 0 BBADLO Cn1c[nH+]c(/C=C/C(=O)NN2CCOC2=O)c1 ZINC000827122319 587370556 /nfs/dbraw/zinc/37/05/56/587370556.db2.gz HTHIISRTMQUFCK-NSCUHMNNSA-N 1 2 236.231 -0.083 20 0 BBADLO Cn1c[nH+]c(/C=C/C(=O)N[C@H]2C[C@H](C(N)=O)C2)c1 ZINC000827208494 587372685 /nfs/dbraw/zinc/37/26/85/587372685.db2.gz RRTQYOVQNMEIHS-GSUDZKHJSA-N 1 2 248.286 -0.187 20 0 BBADLO Cn1c[nH+]c(/C=C/C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC000827271811 587374623 /nfs/dbraw/zinc/37/46/23/587374623.db2.gz DTUIHUZHHKZMKT-YEZKRMTDSA-N 1 2 248.286 -0.090 20 0 BBADLO Cn1c[nH+]c(/C=C/C(=O)N[C@H]2COCCC2=O)c1 ZINC000827372483 587378524 /nfs/dbraw/zinc/37/85/24/587378524.db2.gz VXLAEPWIDMBEPJ-PBKGFPTLSA-N 1 2 249.270 -0.093 20 0 BBADLO Cn1c[nH+]c(/C=C/C(=O)N[C@@H]2COCCC2=O)c1 ZINC000827372545 587378583 /nfs/dbraw/zinc/37/85/83/587378583.db2.gz VXLAEPWIDMBEPJ-VMZHVLLKSA-N 1 2 249.270 -0.093 20 0 BBADLO Cc1cc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc[nH+]1 ZINC000827390053 587379404 /nfs/dbraw/zinc/37/94/04/587379404.db2.gz SPWRJPDMAWJGEX-QMMMGPOBSA-N 1 2 248.242 -0.651 20 0 BBADLO Cc1cc(NC(=O)[C@@H]2CCNC2=O)cc[nH+]1 ZINC000827390648 587379430 /nfs/dbraw/zinc/37/94/30/587379430.db2.gz ZRAWPYPELMGANE-SECBINFHSA-N 1 2 219.244 -0.113 20 0 BBADLO Cc1cc(NC(=O)[C@H]2CCNC2=O)cc[nH+]1 ZINC000827390649 587379413 /nfs/dbraw/zinc/37/94/13/587379413.db2.gz ZRAWPYPELMGANE-VIFPVBQESA-N 1 2 219.244 -0.113 20 0 BBADLO CC[C@@](C)(O)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000827422500 587380686 /nfs/dbraw/zinc/38/06/86/587380686.db2.gz DIJCOBDRDZZBDC-GXSJLCMTSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@@](C)(O)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000827422500 587380685 /nfs/dbraw/zinc/38/06/85/587380685.db2.gz DIJCOBDRDZZBDC-GXSJLCMTSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@](C)(O)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000827422501 587380974 /nfs/dbraw/zinc/38/09/74/587380974.db2.gz DIJCOBDRDZZBDC-KOLCDFICSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@](C)(O)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000827422501 587380973 /nfs/dbraw/zinc/38/09/73/587380973.db2.gz DIJCOBDRDZZBDC-KOLCDFICSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@@](C)(O)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000827422502 587380900 /nfs/dbraw/zinc/38/09/00/587380900.db2.gz DIJCOBDRDZZBDC-MWLCHTKSSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@@](C)(O)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000827422502 587380899 /nfs/dbraw/zinc/38/08/99/587380899.db2.gz DIJCOBDRDZZBDC-MWLCHTKSSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@](C)(O)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000827422503 587380925 /nfs/dbraw/zinc/38/09/25/587380925.db2.gz DIJCOBDRDZZBDC-ONGXEEELSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@](C)(O)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000827422503 587380924 /nfs/dbraw/zinc/38/09/24/587380924.db2.gz DIJCOBDRDZZBDC-ONGXEEELSA-N 1 2 230.308 -0.406 20 0 BBADLO CCC[C@H](O)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000827423587 587380731 /nfs/dbraw/zinc/38/07/31/587380731.db2.gz PGGDWDGFPGSNII-UWVGGRQHSA-N 1 2 230.308 -0.406 20 0 BBADLO CCC[C@H](O)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000827423587 587380730 /nfs/dbraw/zinc/38/07/30/587380730.db2.gz PGGDWDGFPGSNII-UWVGGRQHSA-N 1 2 230.308 -0.406 20 0 BBADLO CCC[C@H](O)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000827423588 587380710 /nfs/dbraw/zinc/38/07/10/587380710.db2.gz PGGDWDGFPGSNII-ZJUUUORDSA-N 1 2 230.308 -0.406 20 0 BBADLO CCC[C@H](O)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000827423588 587380709 /nfs/dbraw/zinc/38/07/09/587380709.db2.gz PGGDWDGFPGSNII-ZJUUUORDSA-N 1 2 230.308 -0.406 20 0 BBADLO CO[C@@H]1C[C@H]1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000827428888 587380777 /nfs/dbraw/zinc/38/07/77/587380777.db2.gz OQAPLMZDRNMYDO-IVZWLZJFSA-N 1 2 228.292 -0.532 20 0 BBADLO CO[C@@H]1C[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000827428888 587380776 /nfs/dbraw/zinc/38/07/76/587380776.db2.gz OQAPLMZDRNMYDO-IVZWLZJFSA-N 1 2 228.292 -0.532 20 0 BBADLO CO[C@@H]1C[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000827428918 587380728 /nfs/dbraw/zinc/38/07/28/587380728.db2.gz OQAPLMZDRNMYDO-OPRDCNLKSA-N 1 2 228.292 -0.532 20 0 BBADLO CO[C@@H]1C[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000827428918 587380727 /nfs/dbraw/zinc/38/07/27/587380727.db2.gz OQAPLMZDRNMYDO-OPRDCNLKSA-N 1 2 228.292 -0.532 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CC1(C)COC1 ZINC000827429171 587380812 /nfs/dbraw/zinc/38/08/12/587380812.db2.gz VEDZFJTWBURJCW-JTQLQIEISA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CC1(C)COC1 ZINC000827429171 587380811 /nfs/dbraw/zinc/38/08/11/587380811.db2.gz VEDZFJTWBURJCW-JTQLQIEISA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)CC1(C)COC1 ZINC000827429174 587380750 /nfs/dbraw/zinc/38/07/50/587380750.db2.gz VEDZFJTWBURJCW-SNVBAGLBSA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CC1(C)COC1 ZINC000827429174 587380749 /nfs/dbraw/zinc/38/07/49/587380749.db2.gz VEDZFJTWBURJCW-SNVBAGLBSA-N 1 2 242.319 -0.140 20 0 BBADLO O=C(NC1=NCC(=O)N1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000827431483 587380907 /nfs/dbraw/zinc/38/09/07/587380907.db2.gz MTFIXCQOTYVQFD-LURJTMIESA-N 1 2 247.258 -0.883 20 0 BBADLO O=C(NC1=NCC(=O)N1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000827431483 587380906 /nfs/dbraw/zinc/38/09/06/587380906.db2.gz MTFIXCQOTYVQFD-LURJTMIESA-N 1 2 247.258 -0.883 20 0 BBADLO O=C(NC1=NCC(=O)N1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000827431484 587380678 /nfs/dbraw/zinc/38/06/78/587380678.db2.gz MTFIXCQOTYVQFD-ZCFIWIBFSA-N 1 2 247.258 -0.883 20 0 BBADLO O=C(NC1=NCC(=O)N1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000827431484 587380677 /nfs/dbraw/zinc/38/06/77/587380677.db2.gz MTFIXCQOTYVQFD-ZCFIWIBFSA-N 1 2 247.258 -0.883 20 0 BBADLO C[N@@H+](CC[S@](C)=O)CC(=O)N1CCCC1 ZINC000827701413 587397498 /nfs/dbraw/zinc/39/74/98/587397498.db2.gz FTPPQGZENOICGT-HNNXBMFYSA-N 1 2 232.349 -0.081 20 0 BBADLO C[N@H+](CC[S@](C)=O)CC(=O)N1CCCC1 ZINC000827701413 587397496 /nfs/dbraw/zinc/39/74/96/587397496.db2.gz FTPPQGZENOICGT-HNNXBMFYSA-N 1 2 232.349 -0.081 20 0 BBADLO C[N@@H+](CC[S@@](C)=O)CC(=O)N1CCCC1 ZINC000827701414 587397395 /nfs/dbraw/zinc/39/73/95/587397395.db2.gz FTPPQGZENOICGT-OAHLLOKOSA-N 1 2 232.349 -0.081 20 0 BBADLO C[N@H+](CC[S@@](C)=O)CC(=O)N1CCCC1 ZINC000827701414 587397393 /nfs/dbraw/zinc/39/73/93/587397393.db2.gz FTPPQGZENOICGT-OAHLLOKOSA-N 1 2 232.349 -0.081 20 0 BBADLO C[S@](=O)CC[N@H+]1CCCC[C@@H]1C(N)=O ZINC000827732369 587400136 /nfs/dbraw/zinc/40/01/36/587400136.db2.gz DCRRXVLUNRDZHN-CLAHSXSESA-N 1 2 218.322 -0.295 20 0 BBADLO C[S@](=O)CC[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000827732369 587400134 /nfs/dbraw/zinc/40/01/34/587400134.db2.gz DCRRXVLUNRDZHN-CLAHSXSESA-N 1 2 218.322 -0.295 20 0 BBADLO C[S@@](=O)CC[N@H+]1CCCC[C@H]1C(N)=O ZINC000827732370 587400366 /nfs/dbraw/zinc/40/03/66/587400366.db2.gz DCRRXVLUNRDZHN-RMLUDKJBSA-N 1 2 218.322 -0.295 20 0 BBADLO C[S@@](=O)CC[N@@H+]1CCCC[C@H]1C(N)=O ZINC000827732370 587400364 /nfs/dbraw/zinc/40/03/64/587400364.db2.gz DCRRXVLUNRDZHN-RMLUDKJBSA-N 1 2 218.322 -0.295 20 0 BBADLO C[S@](=O)CC[N@H+]1CCCC[C@H]1C(N)=O ZINC000827732371 587400161 /nfs/dbraw/zinc/40/01/61/587400161.db2.gz DCRRXVLUNRDZHN-RTHLEPHNSA-N 1 2 218.322 -0.295 20 0 BBADLO C[S@](=O)CC[N@@H+]1CCCC[C@H]1C(N)=O ZINC000827732371 587400160 /nfs/dbraw/zinc/40/01/60/587400160.db2.gz DCRRXVLUNRDZHN-RTHLEPHNSA-N 1 2 218.322 -0.295 20 0 BBADLO C[S@@](=O)CC[N@H+]1CCCC[C@@H]1C(N)=O ZINC000827732372 587400232 /nfs/dbraw/zinc/40/02/32/587400232.db2.gz DCRRXVLUNRDZHN-XLKFXECMSA-N 1 2 218.322 -0.295 20 0 BBADLO C[S@@](=O)CC[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000827732372 587400230 /nfs/dbraw/zinc/40/02/30/587400230.db2.gz DCRRXVLUNRDZHN-XLKFXECMSA-N 1 2 218.322 -0.295 20 0 BBADLO O=CN1CCC[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000827769308 587401468 /nfs/dbraw/zinc/40/14/68/587401468.db2.gz HYPRYNWJROXHJH-LLVKDONJSA-N 1 2 248.286 -0.113 20 0 BBADLO O=CN1CCC[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000827769309 587401479 /nfs/dbraw/zinc/40/14/79/587401479.db2.gz HYPRYNWJROXHJH-NSHDSACASA-N 1 2 248.286 -0.113 20 0 BBADLO CC[N@@H+](CC[S@](C)=O)CC(=O)N(C)C ZINC000827783694 587402139 /nfs/dbraw/zinc/40/21/39/587402139.db2.gz YGZBOQLBDMAVTD-AWEZNQCLSA-N 1 2 220.338 -0.225 20 0 BBADLO CC[N@H+](CC[S@](C)=O)CC(=O)N(C)C ZINC000827783694 587402138 /nfs/dbraw/zinc/40/21/38/587402138.db2.gz YGZBOQLBDMAVTD-AWEZNQCLSA-N 1 2 220.338 -0.225 20 0 BBADLO CC[N@@H+](CC[S@@](C)=O)CC(=O)N(C)C ZINC000827783699 587402115 /nfs/dbraw/zinc/40/21/15/587402115.db2.gz YGZBOQLBDMAVTD-CQSZACIVSA-N 1 2 220.338 -0.225 20 0 BBADLO CC[N@H+](CC[S@@](C)=O)CC(=O)N(C)C ZINC000827783699 587402114 /nfs/dbraw/zinc/40/21/14/587402114.db2.gz YGZBOQLBDMAVTD-CQSZACIVSA-N 1 2 220.338 -0.225 20 0 BBADLO CCNC(=O)C[N@@H+](C)CC[S@@](C)=O ZINC000827798159 587403248 /nfs/dbraw/zinc/40/32/48/587403248.db2.gz ISUMAHDWHRVERH-CYBMUJFWSA-N 1 2 206.311 -0.567 20 0 BBADLO CCNC(=O)C[N@H+](C)CC[S@@](C)=O ZINC000827798159 587403247 /nfs/dbraw/zinc/40/32/47/587403247.db2.gz ISUMAHDWHRVERH-CYBMUJFWSA-N 1 2 206.311 -0.567 20 0 BBADLO CCNC(=O)C[N@@H+](C)CC[S@](C)=O ZINC000827798189 587403191 /nfs/dbraw/zinc/40/31/91/587403191.db2.gz ISUMAHDWHRVERH-ZDUSSCGKSA-N 1 2 206.311 -0.567 20 0 BBADLO CCNC(=O)C[N@H+](C)CC[S@](C)=O ZINC000827798189 587403190 /nfs/dbraw/zinc/40/31/90/587403190.db2.gz ISUMAHDWHRVERH-ZDUSSCGKSA-N 1 2 206.311 -0.567 20 0 BBADLO CC[N@@H+](CC[S@@](C)=O)CC(=O)NC ZINC000827802597 587402962 /nfs/dbraw/zinc/40/29/62/587402962.db2.gz IDBLDSNYIUESFS-CYBMUJFWSA-N 1 2 206.311 -0.567 20 0 BBADLO CC[N@H+](CC[S@@](C)=O)CC(=O)NC ZINC000827802597 587402960 /nfs/dbraw/zinc/40/29/60/587402960.db2.gz IDBLDSNYIUESFS-CYBMUJFWSA-N 1 2 206.311 -0.567 20 0 BBADLO CC[N@@H+](CC[S@](C)=O)CC(=O)NC ZINC000827802598 587403226 /nfs/dbraw/zinc/40/32/26/587403226.db2.gz IDBLDSNYIUESFS-ZDUSSCGKSA-N 1 2 206.311 -0.567 20 0 BBADLO CC[N@H+](CC[S@](C)=O)CC(=O)NC ZINC000827802598 587403225 /nfs/dbraw/zinc/40/32/25/587403225.db2.gz IDBLDSNYIUESFS-ZDUSSCGKSA-N 1 2 206.311 -0.567 20 0 BBADLO CC(C)NC(=O)NCC[N@H+]1CCCNC(=O)C1 ZINC000827863426 645085751 /nfs/dbraw/zinc/08/57/51/645085751.db2.gz IWQKVCMRTHKSEK-UHFFFAOYSA-N 1 2 242.323 -0.484 20 0 BBADLO CC(C)NC(=O)NCC[N@@H+]1CCCNC(=O)C1 ZINC000827863426 645085747 /nfs/dbraw/zinc/08/57/47/645085747.db2.gz IWQKVCMRTHKSEK-UHFFFAOYSA-N 1 2 242.323 -0.484 20 0 BBADLO COC(=O)C(C)(C)[NH2+]CC[S@@](C)=O ZINC000827870152 587406452 /nfs/dbraw/zinc/40/64/52/587406452.db2.gz AXCKRLUMBJVQBK-CYBMUJFWSA-N 1 2 207.295 -0.094 20 0 BBADLO COC(=O)C(C)(C)[NH2+]CC[S@](C)=O ZINC000827870153 587406584 /nfs/dbraw/zinc/40/65/84/587406584.db2.gz AXCKRLUMBJVQBK-ZDUSSCGKSA-N 1 2 207.295 -0.094 20 0 BBADLO Cn1c[nH+]c(/C=C/C(=O)N[C@@H]2COC[C@@H]2O)c1 ZINC000827874803 587406364 /nfs/dbraw/zinc/40/63/64/587406364.db2.gz ATSHFRXDWAPQQM-NBYFHADBSA-N 1 2 237.259 -0.691 20 0 BBADLO COCC[N@@H+](CC[S@@](C)=O)[C@H](C)C(N)=O ZINC000827900644 587408973 /nfs/dbraw/zinc/40/89/73/587408973.db2.gz GKMLRBOIWVDKHE-ANRSDYALSA-N 1 2 236.337 -0.813 20 0 BBADLO COCC[N@H+](CC[S@@](C)=O)[C@H](C)C(N)=O ZINC000827900644 587408972 /nfs/dbraw/zinc/40/89/72/587408972.db2.gz GKMLRBOIWVDKHE-ANRSDYALSA-N 1 2 236.337 -0.813 20 0 BBADLO COCC[N@@H+](CC[S@](C)=O)[C@@H](C)C(N)=O ZINC000827900650 587408899 /nfs/dbraw/zinc/40/88/99/587408899.db2.gz GKMLRBOIWVDKHE-AYVTZFPOSA-N 1 2 236.337 -0.813 20 0 BBADLO COCC[N@H+](CC[S@](C)=O)[C@@H](C)C(N)=O ZINC000827900650 587408898 /nfs/dbraw/zinc/40/88/98/587408898.db2.gz GKMLRBOIWVDKHE-AYVTZFPOSA-N 1 2 236.337 -0.813 20 0 BBADLO COCC[N@@H+](CC[S@](C)=O)[C@H](C)C(N)=O ZINC000827900651 587408887 /nfs/dbraw/zinc/40/88/87/587408887.db2.gz GKMLRBOIWVDKHE-GLEZIHRCSA-N 1 2 236.337 -0.813 20 0 BBADLO COCC[N@H+](CC[S@](C)=O)[C@H](C)C(N)=O ZINC000827900651 587408886 /nfs/dbraw/zinc/40/88/86/587408886.db2.gz GKMLRBOIWVDKHE-GLEZIHRCSA-N 1 2 236.337 -0.813 20 0 BBADLO COCC[N@@H+](CC[S@@](C)=O)[C@@H](C)C(N)=O ZINC000827900653 587407747 /nfs/dbraw/zinc/40/77/47/587407747.db2.gz GKMLRBOIWVDKHE-VXJOIVPMSA-N 1 2 236.337 -0.813 20 0 BBADLO COCC[N@H+](CC[S@@](C)=O)[C@@H](C)C(N)=O ZINC000827900653 587407746 /nfs/dbraw/zinc/40/77/46/587407746.db2.gz GKMLRBOIWVDKHE-VXJOIVPMSA-N 1 2 236.337 -0.813 20 0 BBADLO CN1CC[C@@H]([N@@H+](C)CC[S@](C)=O)C1=O ZINC000827929976 587410409 /nfs/dbraw/zinc/41/04/09/587410409.db2.gz DJJFPAQFXGUASL-CLAHSXSESA-N 1 2 218.322 -0.473 20 0 BBADLO CN1CC[C@@H]([N@H+](C)CC[S@](C)=O)C1=O ZINC000827929976 587410408 /nfs/dbraw/zinc/41/04/08/587410408.db2.gz DJJFPAQFXGUASL-CLAHSXSESA-N 1 2 218.322 -0.473 20 0 BBADLO CN1CC[C@H]([N@@H+](C)CC[S@@](C)=O)C1=O ZINC000827929977 587410486 /nfs/dbraw/zinc/41/04/86/587410486.db2.gz DJJFPAQFXGUASL-RMLUDKJBSA-N 1 2 218.322 -0.473 20 0 BBADLO CN1CC[C@H]([N@H+](C)CC[S@@](C)=O)C1=O ZINC000827929977 587410485 /nfs/dbraw/zinc/41/04/85/587410485.db2.gz DJJFPAQFXGUASL-RMLUDKJBSA-N 1 2 218.322 -0.473 20 0 BBADLO CN1CC[C@H]([N@@H+](C)CC[S@](C)=O)C1=O ZINC000827929978 587410732 /nfs/dbraw/zinc/41/07/32/587410732.db2.gz DJJFPAQFXGUASL-RTHLEPHNSA-N 1 2 218.322 -0.473 20 0 BBADLO CN1CC[C@H]([N@H+](C)CC[S@](C)=O)C1=O ZINC000827929978 587410730 /nfs/dbraw/zinc/41/07/30/587410730.db2.gz DJJFPAQFXGUASL-RTHLEPHNSA-N 1 2 218.322 -0.473 20 0 BBADLO CN1CC[C@@H]([N@@H+](C)CC[S@@](C)=O)C1=O ZINC000827929979 587410700 /nfs/dbraw/zinc/41/07/00/587410700.db2.gz DJJFPAQFXGUASL-XLKFXECMSA-N 1 2 218.322 -0.473 20 0 BBADLO CN1CC[C@@H]([N@H+](C)CC[S@@](C)=O)C1=O ZINC000827929979 587410699 /nfs/dbraw/zinc/41/06/99/587410699.db2.gz DJJFPAQFXGUASL-XLKFXECMSA-N 1 2 218.322 -0.473 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@@H+]1CC[S@](C)=O ZINC000827930064 587410828 /nfs/dbraw/zinc/41/08/28/587410828.db2.gz HJMKRVYQKXJTFF-CLAHSXSESA-N 1 2 218.322 -0.425 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@H+]1CC[S@](C)=O ZINC000827930064 587410827 /nfs/dbraw/zinc/41/08/27/587410827.db2.gz HJMKRVYQKXJTFF-CLAHSXSESA-N 1 2 218.322 -0.425 20 0 BBADLO CC[C@H]1C(=O)NCC[N@@H+]1CC[S@@](C)=O ZINC000827930065 587410816 /nfs/dbraw/zinc/41/08/16/587410816.db2.gz HJMKRVYQKXJTFF-RMLUDKJBSA-N 1 2 218.322 -0.425 20 0 BBADLO CC[C@H]1C(=O)NCC[N@H+]1CC[S@@](C)=O ZINC000827930065 587410815 /nfs/dbraw/zinc/41/08/15/587410815.db2.gz HJMKRVYQKXJTFF-RMLUDKJBSA-N 1 2 218.322 -0.425 20 0 BBADLO CC[C@H]1C(=O)NCC[N@@H+]1CC[S@](C)=O ZINC000827930066 587410708 /nfs/dbraw/zinc/41/07/08/587410708.db2.gz HJMKRVYQKXJTFF-RTHLEPHNSA-N 1 2 218.322 -0.425 20 0 BBADLO CC[C@H]1C(=O)NCC[N@H+]1CC[S@](C)=O ZINC000827930066 587410706 /nfs/dbraw/zinc/41/07/06/587410706.db2.gz HJMKRVYQKXJTFF-RTHLEPHNSA-N 1 2 218.322 -0.425 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@@H+]1CC[S@@](C)=O ZINC000827930067 587410404 /nfs/dbraw/zinc/41/04/04/587410404.db2.gz HJMKRVYQKXJTFF-XLKFXECMSA-N 1 2 218.322 -0.425 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@H+]1CC[S@@](C)=O ZINC000827930067 587410403 /nfs/dbraw/zinc/41/04/03/587410403.db2.gz HJMKRVYQKXJTFF-XLKFXECMSA-N 1 2 218.322 -0.425 20 0 BBADLO COC(=O)[C@@]1(F)CC[N@@H+](C[C@@](C)(O)C(C)=O)C1 ZINC000827957111 587413145 /nfs/dbraw/zinc/41/31/45/587413145.db2.gz LKVSWZWAXHIBJN-GHMZBOCLSA-N 1 2 247.266 -0.087 20 0 BBADLO COC(=O)[C@@]1(F)CC[N@H+](C[C@@](C)(O)C(C)=O)C1 ZINC000827957111 587413143 /nfs/dbraw/zinc/41/31/43/587413143.db2.gz LKVSWZWAXHIBJN-GHMZBOCLSA-N 1 2 247.266 -0.087 20 0 BBADLO COC(=O)[C@]1(F)CC[N@@H+](C[C@@](C)(O)C(C)=O)C1 ZINC000827957113 587413135 /nfs/dbraw/zinc/41/31/35/587413135.db2.gz LKVSWZWAXHIBJN-MNOVXSKESA-N 1 2 247.266 -0.087 20 0 BBADLO COC(=O)[C@]1(F)CC[N@H+](C[C@@](C)(O)C(C)=O)C1 ZINC000827957113 587413133 /nfs/dbraw/zinc/41/31/33/587413133.db2.gz LKVSWZWAXHIBJN-MNOVXSKESA-N 1 2 247.266 -0.087 20 0 BBADLO COC(=O)[C@]1(F)CC[N@@H+](C[C@](C)(O)C(C)=O)C1 ZINC000827957422 587411730 /nfs/dbraw/zinc/41/17/30/587411730.db2.gz LKVSWZWAXHIBJN-QWRGUYRKSA-N 1 2 247.266 -0.087 20 0 BBADLO COC(=O)[C@]1(F)CC[N@H+](C[C@](C)(O)C(C)=O)C1 ZINC000827957422 587411729 /nfs/dbraw/zinc/41/17/29/587411729.db2.gz LKVSWZWAXHIBJN-QWRGUYRKSA-N 1 2 247.266 -0.087 20 0 BBADLO COC(=O)[C@@]1(F)CC[N@@H+](C[C@](C)(O)C(C)=O)C1 ZINC000827957424 587411684 /nfs/dbraw/zinc/41/16/84/587411684.db2.gz LKVSWZWAXHIBJN-WDEREUQCSA-N 1 2 247.266 -0.087 20 0 BBADLO COC(=O)[C@@]1(F)CC[N@H+](C[C@](C)(O)C(C)=O)C1 ZINC000827957424 587411682 /nfs/dbraw/zinc/41/16/82/587411682.db2.gz LKVSWZWAXHIBJN-WDEREUQCSA-N 1 2 247.266 -0.087 20 0 BBADLO CC[C@@](C)(O)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000827987798 587415635 /nfs/dbraw/zinc/41/56/35/587415635.db2.gz ITHSSHXJZWXZBI-GXSJLCMTSA-N 1 2 230.308 -0.718 20 0 BBADLO CC[C@@](C)(O)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000827987798 587415633 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587416947 /nfs/dbraw/zinc/41/69/47/587416947.db2.gz VUNZXERNKGXXEY-QMMMGPOBSA-N 1 2 201.270 -0.110 20 0 BBADLO CC[N@@H+](CC[S@@](C)=O)CCS(C)(=O)=O ZINC000828094705 587419203 /nfs/dbraw/zinc/41/92/03/587419203.db2.gz ZAWSRIAPXBPHFC-CYBMUJFWSA-N 1 2 241.378 -0.269 20 0 BBADLO CC[N@H+](CC[S@@](C)=O)CCS(C)(=O)=O ZINC000828094705 587419202 /nfs/dbraw/zinc/41/92/02/587419202.db2.gz ZAWSRIAPXBPHFC-CYBMUJFWSA-N 1 2 241.378 -0.269 20 0 BBADLO CC[N@@H+](CC[S@](C)=O)CCS(C)(=O)=O ZINC000828094706 587419056 /nfs/dbraw/zinc/41/90/56/587419056.db2.gz ZAWSRIAPXBPHFC-ZDUSSCGKSA-N 1 2 241.378 -0.269 20 0 BBADLO CC[N@H+](CC[S@](C)=O)CCS(C)(=O)=O ZINC000828094706 587419055 /nfs/dbraw/zinc/41/90/55/587419055.db2.gz ZAWSRIAPXBPHFC-ZDUSSCGKSA-N 1 2 241.378 -0.269 20 0 BBADLO C[S@@](=O)CC[N@H+]1CCSC[C@H]1C(N)=O ZINC000828121387 587420328 /nfs/dbraw/zinc/42/03/28/587420328.db2.gz DHMUSOCBUITUBJ-JKYUHCHBSA-N 1 2 236.362 -0.732 20 0 BBADLO C[S@@](=O)CC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000828121387 587420327 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587435222 /nfs/dbraw/zinc/43/52/22/587435222.db2.gz IPKWHLMQFYMZLY-RMLUDKJBSA-N 1 2 218.322 -0.473 20 0 BBADLO C[C@H]1C(=O)N(C)CC[N@H+]1CC[S@@](C)=O ZINC000828328847 587435221 /nfs/dbraw/zinc/43/52/21/587435221.db2.gz IPKWHLMQFYMZLY-RMLUDKJBSA-N 1 2 218.322 -0.473 20 0 BBADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CC[S@](C)=O ZINC000828328848 587435304 /nfs/dbraw/zinc/43/53/04/587435304.db2.gz IPKWHLMQFYMZLY-RTHLEPHNSA-N 1 2 218.322 -0.473 20 0 BBADLO C[C@H]1C(=O)N(C)CC[N@H+]1CC[S@](C)=O ZINC000828328848 587435303 /nfs/dbraw/zinc/43/53/03/587435303.db2.gz IPKWHLMQFYMZLY-RTHLEPHNSA-N 1 2 218.322 -0.473 20 0 BBADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CC[S@@](C)=O ZINC000828328850 587435455 /nfs/dbraw/zinc/43/54/55/587435455.db2.gz IPKWHLMQFYMZLY-XLKFXECMSA-N 1 2 218.322 -0.473 20 0 BBADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CC[S@@](C)=O ZINC000828328850 587435454 /nfs/dbraw/zinc/43/54/54/587435454.db2.gz IPKWHLMQFYMZLY-XLKFXECMSA-N 1 2 218.322 -0.473 20 0 BBADLO C[N@@H+](CCO)C1CC[NH+](CCNC(=O)[O-])CC1 ZINC000828332547 587436020 /nfs/dbraw/zinc/43/60/20/587436020.db2.gz QCYPGLMIQXBQPN-UHFFFAOYSA-N 1 2 245.323 -0.358 20 0 BBADLO C[N@H+](CCO)C1CC[NH+](CCNC(=O)[O-])CC1 ZINC000828332547 587436018 /nfs/dbraw/zinc/43/60/18/587436018.db2.gz QCYPGLMIQXBQPN-UHFFFAOYSA-N 1 2 245.323 -0.358 20 0 BBADLO O=C(Cc1[nH]cc[nH+]1)NCC1(O)CCC1 ZINC000828356817 587438258 /nfs/dbraw/zinc/43/82/58/587438258.db2.gz LRMSKRXBMRJPRD-UHFFFAOYSA-N 1 2 209.249 -0.017 20 0 BBADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CC[S@](C)=O ZINC000828382330 587439446 /nfs/dbraw/zinc/43/94/46/587439446.db2.gz RNDKBWWGYGOLDM-CLAHSXSESA-N 1 2 218.322 -0.473 20 0 BBADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CC[S@](C)=O ZINC000828382330 587439445 /nfs/dbraw/zinc/43/94/45/587439445.db2.gz RNDKBWWGYGOLDM-CLAHSXSESA-N 1 2 218.322 -0.473 20 0 BBADLO C[C@H]1CN(C)C(=O)C[N@H+]1CC[S@@](C)=O ZINC000828382333 587439274 /nfs/dbraw/zinc/43/92/74/587439274.db2.gz RNDKBWWGYGOLDM-RMLUDKJBSA-N 1 2 218.322 -0.473 20 0 BBADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CC[S@@](C)=O ZINC000828382333 587439273 /nfs/dbraw/zinc/43/92/73/587439273.db2.gz RNDKBWWGYGOLDM-RMLUDKJBSA-N 1 2 218.322 -0.473 20 0 BBADLO C[C@H]1CN(C)C(=O)C[N@H+]1CC[S@](C)=O ZINC000828382334 587439405 /nfs/dbraw/zinc/43/94/05/587439405.db2.gz RNDKBWWGYGOLDM-RTHLEPHNSA-N 1 2 218.322 -0.473 20 0 BBADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CC[S@](C)=O ZINC000828382334 587439404 /nfs/dbraw/zinc/43/94/04/587439404.db2.gz RNDKBWWGYGOLDM-RTHLEPHNSA-N 1 2 218.322 -0.473 20 0 BBADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CC[S@@](C)=O ZINC000828382337 587439386 /nfs/dbraw/zinc/43/93/86/587439386.db2.gz RNDKBWWGYGOLDM-XLKFXECMSA-N 1 2 218.322 -0.473 20 0 BBADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CC[S@@](C)=O ZINC000828382337 587439385 /nfs/dbraw/zinc/43/93/85/587439385.db2.gz RNDKBWWGYGOLDM-XLKFXECMSA-N 1 2 218.322 -0.473 20 0 BBADLO CCN1CCC[N@@H+](CC[S@](C)=O)CC1=O ZINC000828408216 587440424 /nfs/dbraw/zinc/44/04/24/587440424.db2.gz JXQLISUYIGWPQX-HNNXBMFYSA-N 1 2 232.349 -0.081 20 0 BBADLO CCN1CCC[N@H+](CC[S@](C)=O)CC1=O ZINC000828408216 587440422 /nfs/dbraw/zinc/44/04/22/587440422.db2.gz JXQLISUYIGWPQX-HNNXBMFYSA-N 1 2 232.349 -0.081 20 0 BBADLO CCN1CCC[N@@H+](CC[S@@](C)=O)CC1=O ZINC000828408217 587440351 /nfs/dbraw/zinc/44/03/51/587440351.db2.gz JXQLISUYIGWPQX-OAHLLOKOSA-N 1 2 232.349 -0.081 20 0 BBADLO CCN1CCC[N@H+](CC[S@@](C)=O)CC1=O ZINC000828408217 587440350 /nfs/dbraw/zinc/44/03/50/587440350.db2.gz JXQLISUYIGWPQX-OAHLLOKOSA-N 1 2 232.349 -0.081 20 0 BBADLO C[C@H]1C(=O)NCCC[N@@H+]1CC[S@@](C)=O ZINC000828414815 587441098 /nfs/dbraw/zinc/44/10/98/587441098.db2.gz GEHDOWGXTIIGNU-RMLUDKJBSA-N 1 2 218.322 -0.425 20 0 BBADLO C[C@H]1C(=O)NCCC[N@H+]1CC[S@@](C)=O ZINC000828414815 587441097 /nfs/dbraw/zinc/44/10/97/587441097.db2.gz GEHDOWGXTIIGNU-RMLUDKJBSA-N 1 2 218.322 -0.425 20 0 BBADLO C[C@H]1C(=O)NCCC[N@@H+]1CC[S@](C)=O ZINC000828414816 587441160 /nfs/dbraw/zinc/44/11/60/587441160.db2.gz GEHDOWGXTIIGNU-RTHLEPHNSA-N 1 2 218.322 -0.425 20 0 BBADLO C[C@H]1C(=O)NCCC[N@H+]1CC[S@](C)=O ZINC000828414816 587441158 /nfs/dbraw/zinc/44/11/58/587441158.db2.gz GEHDOWGXTIIGNU-RTHLEPHNSA-N 1 2 218.322 -0.425 20 0 BBADLO C[S@](=O)CC[N@H+]1CCOC[C@]12CCOC2 ZINC000828462108 587443895 /nfs/dbraw/zinc/44/38/95/587443895.db2.gz LKTOYUAPYULXBN-BMIGLBTASA-N 1 2 233.333 -0.144 20 0 BBADLO C[S@](=O)CC[N@@H+]1CCOC[C@]12CCOC2 ZINC000828462108 587443894 /nfs/dbraw/zinc/44/38/94/587443894.db2.gz LKTOYUAPYULXBN-BMIGLBTASA-N 1 2 233.333 -0.144 20 0 BBADLO C[S@](=O)CC[N@H+]1CCOC[C@@]12CCOC2 ZINC000828462109 587443985 /nfs/dbraw/zinc/44/39/85/587443985.db2.gz LKTOYUAPYULXBN-BONVTDFDSA-N 1 2 233.333 -0.144 20 0 BBADLO C[S@](=O)CC[N@@H+]1CCOC[C@@]12CCOC2 ZINC000828462109 587443984 /nfs/dbraw/zinc/44/39/84/587443984.db2.gz LKTOYUAPYULXBN-BONVTDFDSA-N 1 2 233.333 -0.144 20 0 BBADLO C[S@@](=O)CC[N@H+]1CCOC[C@]12CCOC2 ZINC000828462110 587443954 /nfs/dbraw/zinc/44/39/54/587443954.db2.gz LKTOYUAPYULXBN-MEBBXXQBSA-N 1 2 233.333 -0.144 20 0 BBADLO C[S@@](=O)CC[N@@H+]1CCOC[C@]12CCOC2 ZINC000828462110 587443953 /nfs/dbraw/zinc/44/39/53/587443953.db2.gz LKTOYUAPYULXBN-MEBBXXQBSA-N 1 2 233.333 -0.144 20 0 BBADLO C[S@@](=O)CC[N@H+]1CCOC[C@@]12CCOC2 ZINC000828462111 587443766 /nfs/dbraw/zinc/44/37/66/587443766.db2.gz LKTOYUAPYULXBN-ZUZCIYMTSA-N 1 2 233.333 -0.144 20 0 BBADLO C[S@@](=O)CC[N@@H+]1CCOC[C@@]12CCOC2 ZINC000828462111 587443765 /nfs/dbraw/zinc/44/37/65/587443765.db2.gz LKTOYUAPYULXBN-ZUZCIYMTSA-N 1 2 233.333 -0.144 20 0 BBADLO C[C@@H]1C[N@@H+](CC[S@](C)=O)CC(=O)N1C ZINC000828462188 587443981 /nfs/dbraw/zinc/44/39/81/587443981.db2.gz MULWBNZGUUFTGU-CLAHSXSESA-N 1 2 218.322 -0.473 20 0 BBADLO C[C@@H]1C[N@H+](CC[S@](C)=O)CC(=O)N1C ZINC000828462188 587443980 /nfs/dbraw/zinc/44/39/80/587443980.db2.gz MULWBNZGUUFTGU-CLAHSXSESA-N 1 2 218.322 -0.473 20 0 BBADLO C[C@H]1C[N@@H+](CC[S@@](C)=O)CC(=O)N1C ZINC000828462189 587443928 /nfs/dbraw/zinc/44/39/28/587443928.db2.gz MULWBNZGUUFTGU-RMLUDKJBSA-N 1 2 218.322 -0.473 20 0 BBADLO C[C@H]1C[N@H+](CC[S@@](C)=O)CC(=O)N1C ZINC000828462189 587443927 /nfs/dbraw/zinc/44/39/27/587443927.db2.gz MULWBNZGUUFTGU-RMLUDKJBSA-N 1 2 218.322 -0.473 20 0 BBADLO C[C@H]1C[N@@H+](CC[S@](C)=O)CC(=O)N1C ZINC000828462191 587444001 /nfs/dbraw/zinc/44/40/01/587444001.db2.gz MULWBNZGUUFTGU-RTHLEPHNSA-N 1 2 218.322 -0.473 20 0 BBADLO C[C@H]1C[N@H+](CC[S@](C)=O)CC(=O)N1C ZINC000828462191 587444000 /nfs/dbraw/zinc/44/40/00/587444000.db2.gz MULWBNZGUUFTGU-RTHLEPHNSA-N 1 2 218.322 -0.473 20 0 BBADLO C[C@@H]1C[N@@H+](CC[S@@](C)=O)CC(=O)N1C ZINC000828462192 587443872 /nfs/dbraw/zinc/44/38/72/587443872.db2.gz MULWBNZGUUFTGU-XLKFXECMSA-N 1 2 218.322 -0.473 20 0 BBADLO C[C@@H]1C[N@H+](CC[S@@](C)=O)CC(=O)N1C ZINC000828462192 587443870 /nfs/dbraw/zinc/44/38/70/587443870.db2.gz MULWBNZGUUFTGU-XLKFXECMSA-N 1 2 218.322 -0.473 20 0 BBADLO C[S@](=O)CC[N@H+]1CC(=O)NCC1(C)C ZINC000828469389 587444747 /nfs/dbraw/zinc/44/47/47/587444747.db2.gz IPJZAFWVZRDSOD-AWEZNQCLSA-N 1 2 218.322 -0.425 20 0 BBADLO C[S@](=O)CC[N@@H+]1CC(=O)NCC1(C)C ZINC000828469389 587444745 /nfs/dbraw/zinc/44/47/45/587444745.db2.gz IPJZAFWVZRDSOD-AWEZNQCLSA-N 1 2 218.322 -0.425 20 0 BBADLO C[S@@](=O)CC[N@H+]1CC(=O)NCC1(C)C ZINC000828469390 587444561 /nfs/dbraw/zinc/44/45/61/587444561.db2.gz IPJZAFWVZRDSOD-CQSZACIVSA-N 1 2 218.322 -0.425 20 0 BBADLO C[S@@](=O)CC[N@@H+]1CC(=O)NCC1(C)C ZINC000828469390 587444560 /nfs/dbraw/zinc/44/45/60/587444560.db2.gz IPJZAFWVZRDSOD-CQSZACIVSA-N 1 2 218.322 -0.425 20 0 BBADLO C[N@H+]1CC[C@@H]([NH2+]CCCNC(=O)[O-])C1 ZINC000828471984 587444496 /nfs/dbraw/zinc/44/44/96/587444496.db2.gz LUKJEMPCQNIOLI-MRVPVSSYSA-N 1 2 201.270 -0.062 20 0 BBADLO C[N@@H+]1CC[C@@H]([NH2+]CCCNC(=O)[O-])C1 ZINC000828471984 587444495 /nfs/dbraw/zinc/44/44/95/587444495.db2.gz LUKJEMPCQNIOLI-MRVPVSSYSA-N 1 2 201.270 -0.062 20 0 BBADLO C[N@H+]1CC[C@H]([NH2+]CCCNC(=O)[O-])C1 ZINC000828471987 587444769 /nfs/dbraw/zinc/44/47/69/587444769.db2.gz LUKJEMPCQNIOLI-QMMMGPOBSA-N 1 2 201.270 -0.062 20 0 BBADLO C[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)[O-])C1 ZINC000828471987 587444768 /nfs/dbraw/zinc/44/47/68/587444768.db2.gz LUKJEMPCQNIOLI-QMMMGPOBSA-N 1 2 201.270 -0.062 20 0 BBADLO COC(=O)C[C@@H]1COCC[N@H+]1CC[S@](C)=O ZINC000828540441 587449199 /nfs/dbraw/zinc/44/91/99/587449199.db2.gz ARALLMOBZQPDPX-ABKXIKBNSA-N 1 2 249.332 -0.371 20 0 BBADLO COC(=O)C[C@@H]1COCC[N@@H+]1CC[S@](C)=O ZINC000828540441 587449198 /nfs/dbraw/zinc/44/91/98/587449198.db2.gz ARALLMOBZQPDPX-ABKXIKBNSA-N 1 2 249.332 -0.371 20 0 BBADLO COC(=O)C[C@H]1COCC[N@H+]1CC[S@](C)=O ZINC000828540443 587449164 /nfs/dbraw/zinc/44/91/64/587449164.db2.gz ARALLMOBZQPDPX-FVMDXXJSSA-N 1 2 249.332 -0.371 20 0 BBADLO COC(=O)C[C@H]1COCC[N@@H+]1CC[S@](C)=O ZINC000828540443 587449163 /nfs/dbraw/zinc/44/91/63/587449163.db2.gz ARALLMOBZQPDPX-FVMDXXJSSA-N 1 2 249.332 -0.371 20 0 BBADLO COC(=O)C[C@@H]1COCC[N@H+]1CC[S@@](C)=O ZINC000828540446 587449322 /nfs/dbraw/zinc/44/93/22/587449322.db2.gz ARALLMOBZQPDPX-JDNHERCYSA-N 1 2 249.332 -0.371 20 0 BBADLO COC(=O)C[C@@H]1COCC[N@@H+]1CC[S@@](C)=O ZINC000828540446 587449321 /nfs/dbraw/zinc/44/93/21/587449321.db2.gz ARALLMOBZQPDPX-JDNHERCYSA-N 1 2 249.332 -0.371 20 0 BBADLO COC(=O)C[C@H]1COCC[N@H+]1CC[S@@](C)=O ZINC000828540447 587449415 /nfs/dbraw/zinc/44/94/15/587449415.db2.gz ARALLMOBZQPDPX-XXFAHNHDSA-N 1 2 249.332 -0.371 20 0 BBADLO COC(=O)C[C@H]1COCC[N@@H+]1CC[S@@](C)=O ZINC000828540447 587449414 /nfs/dbraw/zinc/44/94/14/587449414.db2.gz ARALLMOBZQPDPX-XXFAHNHDSA-N 1 2 249.332 -0.371 20 0 BBADLO CCC[C@H]1C(=O)NCC[N@@H+]1CC[S@@](C)=O ZINC000828570124 587451120 /nfs/dbraw/zinc/45/11/20/587451120.db2.gz YSMZRIDZMSRBIX-BJOHPYRUSA-N 1 2 232.349 -0.035 20 0 BBADLO CCC[C@H]1C(=O)NCC[N@H+]1CC[S@@](C)=O ZINC000828570124 587451118 /nfs/dbraw/zinc/45/11/18/587451118.db2.gz YSMZRIDZMSRBIX-BJOHPYRUSA-N 1 2 232.349 -0.035 20 0 BBADLO CCC[C@@H]1C(=O)NCC[N@@H+]1CC[S@](C)=O ZINC000828570125 587451236 /nfs/dbraw/zinc/45/12/36/587451236.db2.gz YSMZRIDZMSRBIX-PSLIRLAXSA-N 1 2 232.349 -0.035 20 0 BBADLO CCC[C@@H]1C(=O)NCC[N@H+]1CC[S@](C)=O ZINC000828570125 587451234 /nfs/dbraw/zinc/45/12/34/587451234.db2.gz YSMZRIDZMSRBIX-PSLIRLAXSA-N 1 2 232.349 -0.035 20 0 BBADLO CCC[C@@H]1C(=O)NCC[N@@H+]1CC[S@@](C)=O ZINC000828570126 587451443 /nfs/dbraw/zinc/45/14/43/587451443.db2.gz YSMZRIDZMSRBIX-RFAUZJTJSA-N 1 2 232.349 -0.035 20 0 BBADLO CCC[C@@H]1C(=O)NCC[N@H+]1CC[S@@](C)=O ZINC000828570126 587451442 /nfs/dbraw/zinc/45/14/42/587451442.db2.gz YSMZRIDZMSRBIX-RFAUZJTJSA-N 1 2 232.349 -0.035 20 0 BBADLO CCC[C@H]1C(=O)NCC[N@@H+]1CC[S@](C)=O ZINC000828570127 587451275 /nfs/dbraw/zinc/45/12/75/587451275.db2.gz YSMZRIDZMSRBIX-VFZGTOFNSA-N 1 2 232.349 -0.035 20 0 BBADLO CCC[C@H]1C(=O)NCC[N@H+]1CC[S@](C)=O ZINC000828570127 587451273 /nfs/dbraw/zinc/45/12/73/587451273.db2.gz YSMZRIDZMSRBIX-VFZGTOFNSA-N 1 2 232.349 -0.035 20 0 BBADLO CCC[N@@H+](CC[S@@](C)=O)CC(N)=O ZINC000828570931 587451070 /nfs/dbraw/zinc/45/10/70/587451070.db2.gz DBYCHKPRFCQZMI-CYBMUJFWSA-N 1 2 206.311 -0.438 20 0 BBADLO CCC[N@H+](CC[S@@](C)=O)CC(N)=O ZINC000828570931 587451069 /nfs/dbraw/zinc/45/10/69/587451069.db2.gz DBYCHKPRFCQZMI-CYBMUJFWSA-N 1 2 206.311 -0.438 20 0 BBADLO CCC[N@@H+](CC[S@](C)=O)CC(N)=O ZINC000828570932 587451389 /nfs/dbraw/zinc/45/13/89/587451389.db2.gz DBYCHKPRFCQZMI-ZDUSSCGKSA-N 1 2 206.311 -0.438 20 0 BBADLO CCC[N@H+](CC[S@](C)=O)CC(N)=O ZINC000828570932 587451388 /nfs/dbraw/zinc/45/13/88/587451388.db2.gz DBYCHKPRFCQZMI-ZDUSSCGKSA-N 1 2 206.311 -0.438 20 0 BBADLO C[N@@H+](CC[S@@](C)=O)C(C)(C)C(N)=O ZINC000828582006 587451761 /nfs/dbraw/zinc/45/17/61/587451761.db2.gz WSZNUFSXYWTHJN-CYBMUJFWSA-N 1 2 206.311 -0.439 20 0 BBADLO C[N@H+](CC[S@@](C)=O)C(C)(C)C(N)=O ZINC000828582006 587451760 /nfs/dbraw/zinc/45/17/60/587451760.db2.gz WSZNUFSXYWTHJN-CYBMUJFWSA-N 1 2 206.311 -0.439 20 0 BBADLO C[N@@H+](CC[S@](C)=O)C(C)(C)C(N)=O ZINC000828582007 587451895 /nfs/dbraw/zinc/45/18/95/587451895.db2.gz WSZNUFSXYWTHJN-ZDUSSCGKSA-N 1 2 206.311 -0.439 20 0 BBADLO C[N@H+](CC[S@](C)=O)C(C)(C)C(N)=O ZINC000828582007 587451894 /nfs/dbraw/zinc/45/18/94/587451894.db2.gz WSZNUFSXYWTHJN-ZDUSSCGKSA-N 1 2 206.311 -0.439 20 0 BBADLO C[C@@H]1CC(=O)NCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000828739065 587459674 /nfs/dbraw/zinc/45/96/74/587459674.db2.gz WIRSUOUOVRSZQO-MRVPVSSYSA-N 1 2 236.275 -0.311 20 0 BBADLO C[C@H]1CC(=O)NCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000828739080 587459854 /nfs/dbraw/zinc/45/98/54/587459854.db2.gz WIRSUOUOVRSZQO-QMMMGPOBSA-N 1 2 236.275 -0.311 20 0 BBADLO CCCS(=O)(=O)CC[NH+]1CC(C)(C(N)=O)C1 ZINC000829050922 587480629 /nfs/dbraw/zinc/48/06/29/587480629.db2.gz BRWTYYLVOCDLKI-UHFFFAOYSA-N 1 2 248.348 -0.382 20 0 BBADLO CCS(=O)(=O)CC[NH+]1CC(C)(C(N)=O)C1 ZINC000829051923 587480621 /nfs/dbraw/zinc/48/06/21/587480621.db2.gz QNQYCELDSIRSDH-UHFFFAOYSA-N 1 2 234.321 -0.772 20 0 BBADLO CC1(C(N)=O)C[NH+](CCCCS(C)(=O)=O)C1 ZINC000829053835 645106399 /nfs/dbraw/zinc/10/63/99/645106399.db2.gz GLCQSELCTTYICP-UHFFFAOYSA-N 1 2 248.348 -0.382 20 0 BBADLO NC(=O)C(=O)N1CCc2[nH]c[nH+]c2C12CCC2 ZINC000829057581 587481405 /nfs/dbraw/zinc/48/14/05/587481405.db2.gz PTQBPYTXXYULKR-UHFFFAOYSA-N 1 2 234.259 -0.341 20 0 BBADLO Cc1nonc1C[NH+]1CC(C)(C(N)=O)C1 ZINC000829070473 587481858 /nfs/dbraw/zinc/48/18/58/587481858.db2.gz UMPIPDZHLYUYCA-UHFFFAOYSA-N 1 2 210.237 -0.315 20 0 BBADLO Cn1ncc(C[NH+]2CC(C)(C(N)=O)C2)n1 ZINC000829075243 587481982 /nfs/dbraw/zinc/48/19/82/587481982.db2.gz KIMQFACUCGROPI-UHFFFAOYSA-N 1 2 209.253 -0.878 20 0 BBADLO CCn1nc(C)c(C[NH+]2CC(C)(C(N)=O)C2)n1 ZINC000829075740 587481937 /nfs/dbraw/zinc/48/19/37/587481937.db2.gz UBRNVGXRNPMHDD-UHFFFAOYSA-N 1 2 237.307 -0.086 20 0 BBADLO C[C@@H](O)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829417902 587496541 /nfs/dbraw/zinc/49/65/41/587496541.db2.gz QCAPIESHSPOLSE-SSDOTTSWSA-N 1 2 224.264 -0.352 20 0 BBADLO C[C@@H](O)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829417902 587496539 /nfs/dbraw/zinc/49/65/39/587496539.db2.gz QCAPIESHSPOLSE-SSDOTTSWSA-N 1 2 224.264 -0.352 20 0 BBADLO C[C@H](O)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829417903 584907288 /nfs/dbraw/zinc/90/72/88/584907288.db2.gz QCAPIESHSPOLSE-ZETCQYMHSA-N 1 2 224.264 -0.352 20 0 BBADLO C[C@H](O)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829417903 584907287 /nfs/dbraw/zinc/90/72/87/584907287.db2.gz QCAPIESHSPOLSE-ZETCQYMHSA-N 1 2 224.264 -0.352 20 0 BBADLO C[N@H+]1CCn2nc(NC(=O)c3nc[nH]n3)cc2C1 ZINC000829436181 587496932 /nfs/dbraw/zinc/49/69/32/587496932.db2.gz XRKUBFFNRPOXPZ-UHFFFAOYSA-N 1 2 247.262 -0.301 20 0 BBADLO C[N@@H+]1CCn2nc(NC(=O)c3nc[nH]n3)cc2C1 ZINC000829436181 587496930 /nfs/dbraw/zinc/49/69/30/587496930.db2.gz XRKUBFFNRPOXPZ-UHFFFAOYSA-N 1 2 247.262 -0.301 20 0 BBADLO C[N@H+]1CCn2nc(NC(=O)c3cn[nH]n3)cc2C1 ZINC000829457269 587498692 /nfs/dbraw/zinc/49/86/92/587498692.db2.gz OVZBDZRCVZCDCS-UHFFFAOYSA-N 1 2 247.262 -0.301 20 0 BBADLO C[N@@H+]1CCn2nc(NC(=O)c3cn[nH]n3)cc2C1 ZINC000829457269 587498691 /nfs/dbraw/zinc/49/86/91/587498691.db2.gz OVZBDZRCVZCDCS-UHFFFAOYSA-N 1 2 247.262 -0.301 20 0 BBADLO COCC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829472814 587499352 /nfs/dbraw/zinc/49/93/52/587499352.db2.gz SQQNVYVNTZMLMZ-UHFFFAOYSA-N 1 2 224.264 -0.087 20 0 BBADLO COCC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829472814 587499351 /nfs/dbraw/zinc/49/93/51/587499351.db2.gz SQQNVYVNTZMLMZ-UHFFFAOYSA-N 1 2 224.264 -0.087 20 0 BBADLO COCCOC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000829488815 587500257 /nfs/dbraw/zinc/50/02/57/587500257.db2.gz XHGXJFPCHNXQJN-UHFFFAOYSA-N 1 2 239.275 -0.174 20 0 BBADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000829633086 587506839 /nfs/dbraw/zinc/50/68/39/587506839.db2.gz ZKALKBHJPXHPRF-MRVPVSSYSA-N 1 2 248.286 -0.168 20 0 BBADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000829633091 587506798 /nfs/dbraw/zinc/50/67/98/587506798.db2.gz ZKALKBHJPXHPRF-QMMMGPOBSA-N 1 2 248.286 -0.168 20 0 BBADLO CN1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC000829638475 587507143 /nfs/dbraw/zinc/50/71/43/587507143.db2.gz QNOXZJXEVPATKA-MRVPVSSYSA-N 1 2 236.275 -0.311 20 0 BBADLO CN1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC000829638477 587507162 /nfs/dbraw/zinc/50/71/62/587507162.db2.gz QNOXZJXEVPATKA-QMMMGPOBSA-N 1 2 236.275 -0.311 20 0 BBADLO O=C(Cc1[nH]cc[nH+]1)N1CCN(C2CC2)C(=O)C1 ZINC000829644355 587507480 /nfs/dbraw/zinc/50/74/80/587507480.db2.gz QKLVMQODKMKQFF-UHFFFAOYSA-N 1 2 248.286 -0.215 20 0 BBADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)C(F)(F)F ZINC000829689253 587509198 /nfs/dbraw/zinc/50/91/98/587509198.db2.gz KJEVWZYKXUBFRW-RXMQYKEDSA-N 1 2 237.181 -0.008 20 0 BBADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)C(F)(F)F ZINC000829689254 587509274 /nfs/dbraw/zinc/50/92/74/587509274.db2.gz KJEVWZYKXUBFRW-YFKPBYRVSA-N 1 2 237.181 -0.008 20 0 BBADLO NC1=CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)N1 ZINC000829825421 587520943 /nfs/dbraw/zinc/52/09/43/587520943.db2.gz NJZYUYRABONWSX-MRVPVSSYSA-N 1 2 233.275 -0.408 20 0 BBADLO NC1=CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)N1 ZINC000829825424 587520706 /nfs/dbraw/zinc/52/07/06/587520706.db2.gz NJZYUYRABONWSX-QMMMGPOBSA-N 1 2 233.275 -0.408 20 0 BBADLO NC1=CCN(C(=O)CCCn2cc[nH+]c2)N1 ZINC000829825576 587520905 /nfs/dbraw/zinc/52/09/05/587520905.db2.gz PSTPYZPKXJWGLP-UHFFFAOYSA-N 1 2 221.264 -0.190 20 0 BBADLO NC1=CCN(C(=O)CCn2cc[nH+]c2)N1 ZINC000829831088 587521063 /nfs/dbraw/zinc/52/10/63/587521063.db2.gz GXQJJNLOOLMGRE-UHFFFAOYSA-N 1 2 207.237 -0.580 20 0 BBADLO NC1=CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)N1 ZINC000829836374 641537034 /nfs/dbraw/zinc/53/70/34/641537034.db2.gz JZHSFKFKTVTNKU-MRVPVSSYSA-N 1 2 233.275 -0.408 20 0 BBADLO NC1=CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)N1 ZINC000829836375 641537688 /nfs/dbraw/zinc/53/76/88/641537688.db2.gz JZHSFKFKTVTNKU-QMMMGPOBSA-N 1 2 233.275 -0.408 20 0 BBADLO NC1=CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)N1 ZINC000829840711 587522433 /nfs/dbraw/zinc/52/24/33/587522433.db2.gz OFRXBTYZJVSPID-MRVPVSSYSA-N 1 2 233.275 -0.408 20 0 BBADLO NC1=CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)N1 ZINC000829840712 587522414 /nfs/dbraw/zinc/52/24/14/587522414.db2.gz OFRXBTYZJVSPID-QMMMGPOBSA-N 1 2 233.275 -0.408 20 0 BBADLO Cn1c[nH+]cc1CC(=O)N1CC=C(N)N1 ZINC000829841593 587522635 /nfs/dbraw/zinc/52/26/35/587522635.db2.gz ZTMYJUPBUMQLMY-UHFFFAOYSA-N 1 2 207.237 -0.891 20 0 BBADLO Cn1c[nH+]cc1CCC(=O)N1CC=C(N)N1 ZINC000829844083 587523049 /nfs/dbraw/zinc/52/30/49/587523049.db2.gz GOLHWHUUMVCIAS-UHFFFAOYSA-N 1 2 221.264 -0.500 20 0 BBADLO NC1=CCN(C(=O)CCc2[nH]cc[nH+]2)N1 ZINC000829844636 587522809 /nfs/dbraw/zinc/52/28/09/587522809.db2.gz OOZNEMQVDAXATB-UHFFFAOYSA-N 1 2 207.237 -0.511 20 0 BBADLO NC1=CCN(C(=O)CCc2c[nH]c[nH+]2)N1 ZINC000829845497 587523214 /nfs/dbraw/zinc/52/32/14/587523214.db2.gz XBJRKENGSPOWIP-UHFFFAOYSA-N 1 2 207.237 -0.511 20 0 BBADLO NC1=CCN(C(=O)CCc2c[nH+]c[nH]2)N1 ZINC000829845497 587523212 /nfs/dbraw/zinc/52/32/12/587523212.db2.gz XBJRKENGSPOWIP-UHFFFAOYSA-N 1 2 207.237 -0.511 20 0 BBADLO CC(C)(C(=O)N1CC=C(N)N1)[NH+]1CCOCC1 ZINC000829845528 587523162 /nfs/dbraw/zinc/52/31/62/587523162.db2.gz XIJUSIHCEHHIIK-UHFFFAOYSA-N 1 2 240.307 -0.756 20 0 BBADLO NC1=CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)N1 ZINC000829848444 587523975 /nfs/dbraw/zinc/52/39/75/587523975.db2.gz DSDRCUSXYCMOEI-SSDOTTSWSA-N 1 2 233.275 -0.339 20 0 BBADLO NC1=CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)N1 ZINC000829848444 587523974 /nfs/dbraw/zinc/52/39/74/587523974.db2.gz DSDRCUSXYCMOEI-SSDOTTSWSA-N 1 2 233.275 -0.339 20 0 BBADLO NC1=CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)N1 ZINC000829848445 587523913 /nfs/dbraw/zinc/52/39/13/587523913.db2.gz DSDRCUSXYCMOEI-ZETCQYMHSA-N 1 2 233.275 -0.339 20 0 BBADLO NC1=CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)N1 ZINC000829848445 587523912 /nfs/dbraw/zinc/52/39/12/587523912.db2.gz DSDRCUSXYCMOEI-ZETCQYMHSA-N 1 2 233.275 -0.339 20 0 BBADLO NC1=CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)N1 ZINC000829848473 587523694 /nfs/dbraw/zinc/52/36/94/587523694.db2.gz FNBQTRUXENQWIB-MRVPVSSYSA-N 1 2 233.275 -0.408 20 0 BBADLO NC1=CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)N1 ZINC000829848474 587523844 /nfs/dbraw/zinc/52/38/44/587523844.db2.gz FNBQTRUXENQWIB-QMMMGPOBSA-N 1 2 233.275 -0.408 20 0 BBADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC=C(N)N1 ZINC000829848518 587523805 /nfs/dbraw/zinc/52/38/05/587523805.db2.gz HSGRQAKERWILLG-SSDOTTSWSA-N 1 2 221.264 -0.265 20 0 BBADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC=C(N)N1 ZINC000829848518 587523803 /nfs/dbraw/zinc/52/38/03/587523803.db2.gz HSGRQAKERWILLG-SSDOTTSWSA-N 1 2 221.264 -0.265 20 0 BBADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC=C(N)N1 ZINC000829848519 587523928 /nfs/dbraw/zinc/52/39/28/587523928.db2.gz HSGRQAKERWILLG-ZETCQYMHSA-N 1 2 221.264 -0.265 20 0 BBADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC=C(N)N1 ZINC000829848519 587523927 /nfs/dbraw/zinc/52/39/27/587523927.db2.gz HSGRQAKERWILLG-ZETCQYMHSA-N 1 2 221.264 -0.265 20 0 BBADLO C[C@H](CC(=O)N1CC=C(N)N1)n1cc[nH+]c1 ZINC000829853068 587524213 /nfs/dbraw/zinc/52/42/13/587524213.db2.gz BBYDVGBDXRKGTG-MRVPVSSYSA-N 1 2 221.264 -0.019 20 0 BBADLO C[C@@H](CC(=O)N1CC=C(N)N1)n1cc[nH+]c1 ZINC000829853069 587524060 /nfs/dbraw/zinc/52/40/60/587524060.db2.gz BBYDVGBDXRKGTG-QMMMGPOBSA-N 1 2 221.264 -0.019 20 0 BBADLO NC1=CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)N1 ZINC000829853169 587524218 /nfs/dbraw/zinc/52/42/18/587524218.db2.gz FZVBRBAKPFTMBB-RNFRBKRXSA-N 1 2 219.248 -0.340 20 0 BBADLO NC1=CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)N1 ZINC000829853169 587524217 /nfs/dbraw/zinc/52/42/17/587524217.db2.gz FZVBRBAKPFTMBB-RNFRBKRXSA-N 1 2 219.248 -0.340 20 0 BBADLO NC1=CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)N1 ZINC000829853293 587524778 /nfs/dbraw/zinc/52/47/78/587524778.db2.gz KCCSHGJMSAPZJB-UHFFFAOYSA-N 1 2 247.302 -0.091 20 0 BBADLO CCc1c[nH]c(CC(=O)N2CC=C(N)N2)[nH+]1 ZINC000829853524 584908067 /nfs/dbraw/zinc/90/80/67/584908067.db2.gz SDPRIMYZULTMAC-UHFFFAOYSA-N 1 2 221.264 -0.339 20 0 BBADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC=C(N)N1)CC2 ZINC000829858400 587525564 /nfs/dbraw/zinc/52/55/64/587525564.db2.gz VSKAWADVGLXFOS-SECBINFHSA-N 1 2 247.302 -0.099 20 0 BBADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC=C(N)N1)CC2 ZINC000829858401 587525412 /nfs/dbraw/zinc/52/54/12/587525412.db2.gz VSKAWADVGLXFOS-VIFPVBQESA-N 1 2 247.302 -0.099 20 0 BBADLO CC(C)(C)[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC000829903101 587527740 /nfs/dbraw/zinc/52/77/40/587527740.db2.gz BUNYXRIIZLSVEF-SECBINFHSA-N 1 2 238.291 -0.032 20 0 BBADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1nonc1C ZINC000830102006 587535576 /nfs/dbraw/zinc/53/55/76/587535576.db2.gz COWHGMCSHZLLNR-RKDXNWHRSA-N 1 2 213.237 -0.119 20 0 BBADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1cnn(C)n1 ZINC000830103073 587535658 /nfs/dbraw/zinc/53/56/58/587535658.db2.gz QHJQSTJRJLRADL-RKDXNWHRSA-N 1 2 212.253 -0.682 20 0 BBADLO Cn1nc(C(=O)NC[C@H]2CC[N@H+]2C)cc1C=O ZINC000830134154 587538088 /nfs/dbraw/zinc/53/80/88/587538088.db2.gz BGNKPCNLZUTEDN-MRVPVSSYSA-N 1 2 236.275 -0.334 20 0 BBADLO Cn1nc(C(=O)NC[C@H]2CC[N@@H+]2C)cc1C=O ZINC000830134154 587538087 /nfs/dbraw/zinc/53/80/87/587538087.db2.gz BGNKPCNLZUTEDN-MRVPVSSYSA-N 1 2 236.275 -0.334 20 0 BBADLO Cn1nc(C(=O)NC[C@@H]2CC[N@H+]2C)cc1C=O ZINC000830134157 587538379 /nfs/dbraw/zinc/53/83/79/587538379.db2.gz BGNKPCNLZUTEDN-QMMMGPOBSA-N 1 2 236.275 -0.334 20 0 BBADLO 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NS(=O)(=O)CC[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000830234809 587543241 /nfs/dbraw/zinc/54/32/41/587543241.db2.gz JXRDNBJYSQKVJC-SNVBAGLBSA-N 1 2 248.348 -0.224 20 0 BBADLO NS(=O)(=O)CC[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000830234809 587543239 /nfs/dbraw/zinc/54/32/39/587543239.db2.gz JXRDNBJYSQKVJC-SNVBAGLBSA-N 1 2 248.348 -0.224 20 0 BBADLO O=C(Cc1[nH]cc[nH+]1)N(CCO)C1CC1 ZINC000830315808 645118579 /nfs/dbraw/zinc/11/85/79/645118579.db2.gz SWRLYILVQRIDFS-UHFFFAOYSA-N 1 2 209.249 -0.065 20 0 BBADLO COC(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000830616014 587560626 /nfs/dbraw/zinc/56/06/26/587560626.db2.gz IDYPJACPFIRNFU-UHFFFAOYSA-N 1 2 238.247 -0.481 20 0 BBADLO CNC(=O)[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC000830680431 587563838 /nfs/dbraw/zinc/56/38/38/587563838.db2.gz IHVLRXTVSYVNAA-JTQLQIEISA-N 1 2 238.291 -0.161 20 0 BBADLO C[C@@H]1C[N@@H+](CCS(N)(=O)=O)CC2(CCC2)O1 ZINC000830716017 587565018 /nfs/dbraw/zinc/56/50/18/587565018.db2.gz JYSRXPCAOODSAI-SECBINFHSA-N 1 2 248.348 -0.082 20 0 BBADLO 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CONC(=O)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC000832745624 587682482 /nfs/dbraw/zinc/68/24/82/587682482.db2.gz PXTYHLYRUNRXBC-UHFFFAOYSA-N 1 2 245.323 -0.242 20 0 BBADLO CC[C@@H]1[C@@H](C(=O)NCC(=O)NOC)CC[N@H+]1C ZINC000832745960 587682872 /nfs/dbraw/zinc/68/28/72/587682872.db2.gz UNYFMJVXFXQEQY-DTWKUNHWSA-N 1 2 243.307 -0.490 20 0 BBADLO CC[C@@H]1[C@@H](C(=O)NCC(=O)NOC)CC[N@@H+]1C ZINC000832745960 587682870 /nfs/dbraw/zinc/68/28/70/587682870.db2.gz UNYFMJVXFXQEQY-DTWKUNHWSA-N 1 2 243.307 -0.490 20 0 BBADLO CONC(=O)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000832746217 587682637 /nfs/dbraw/zinc/68/26/37/587682637.db2.gz XBMXAOARUFTCSS-MRVPVSSYSA-N 1 2 240.263 -0.372 20 0 BBADLO CONC(=O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000832746218 587682826 /nfs/dbraw/zinc/68/28/26/587682826.db2.gz XBMXAOARUFTCSS-QMMMGPOBSA-N 1 2 240.263 -0.372 20 0 BBADLO CONC(=O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC000832749563 587683123 /nfs/dbraw/zinc/68/31/23/587683123.db2.gz WFIBUPCLTZWSDK-UHFFFAOYSA-N 1 2 229.280 -0.736 20 0 BBADLO CONC(=O)CNC(=O)C[N@H+](C)C1CCC1 ZINC000832749563 587683121 /nfs/dbraw/zinc/68/31/21/587683121.db2.gz WFIBUPCLTZWSDK-UHFFFAOYSA-N 1 2 229.280 -0.736 20 0 BBADLO CONC(=O)CNC(=O)C1([NH+](C)C)CCC1 ZINC000832752820 587683693 /nfs/dbraw/zinc/68/36/93/587683693.db2.gz DMHAWLQCIOTYCP-UHFFFAOYSA-N 1 2 229.280 -0.736 20 0 BBADLO CONC(=O)CNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000832752984 587683786 /nfs/dbraw/zinc/68/37/86/587683786.db2.gz GFKKUKWTIFXSKU-SECBINFHSA-N 1 2 241.291 -0.593 20 0 BBADLO CONC(=O)CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000832752984 587683785 /nfs/dbraw/zinc/68/37/85/587683785.db2.gz GFKKUKWTIFXSKU-SECBINFHSA-N 1 2 241.291 -0.593 20 0 BBADLO CONC(=O)CNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000832752986 587683671 /nfs/dbraw/zinc/68/36/71/587683671.db2.gz GFKKUKWTIFXSKU-VIFPVBQESA-N 1 2 241.291 -0.593 20 0 BBADLO CONC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000832752986 587683669 /nfs/dbraw/zinc/68/36/69/587683669.db2.gz GFKKUKWTIFXSKU-VIFPVBQESA-N 1 2 241.291 -0.593 20 0 BBADLO 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587687777 /nfs/dbraw/zinc/68/77/77/587687777.db2.gz ZVKJTXGWAQKJQC-UHFFFAOYSA-N 1 2 217.269 -0.880 20 0 BBADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H](CO)O1 ZINC000832811839 587691426 /nfs/dbraw/zinc/69/14/26/587691426.db2.gz ZLPHZMORIPLANO-BDAKNGLRSA-N 1 2 239.275 -0.440 20 0 BBADLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H](CO)O1 ZINC000832811840 587691535 /nfs/dbraw/zinc/69/15/35/587691535.db2.gz ZLPHZMORIPLANO-DTWKUNHWSA-N 1 2 239.275 -0.440 20 0 BBADLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H](CO)O1 ZINC000832811841 587691325 /nfs/dbraw/zinc/69/13/25/587691325.db2.gz ZLPHZMORIPLANO-IUCAKERBSA-N 1 2 239.275 -0.440 20 0 BBADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H](CO)O1 ZINC000832811842 587691370 /nfs/dbraw/zinc/69/13/70/587691370.db2.gz ZLPHZMORIPLANO-RKDXNWHRSA-N 1 2 239.275 -0.440 20 0 BBADLO CCN(C)C(=O)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000834311414 587751109 /nfs/dbraw/zinc/75/11/09/587751109.db2.gz WXCCDORDZKXHGT-MRVPVSSYSA-N 1 2 238.291 -0.065 20 0 BBADLO CCN(C)C(=O)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000834311415 587750955 /nfs/dbraw/zinc/75/09/55/587750955.db2.gz WXCCDORDZKXHGT-QMMMGPOBSA-N 1 2 238.291 -0.065 20 0 BBADLO CCN1CN(C(=O)Cc2[nH]cc[nH+]2)CC1=O ZINC000834373178 587753286 /nfs/dbraw/zinc/75/32/86/587753286.db2.gz LVWSQSCCIITAEE-UHFFFAOYSA-N 1 2 222.248 -0.400 20 0 BBADLO CO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1OC ZINC000834386524 587754149 /nfs/dbraw/zinc/75/41/49/587754149.db2.gz WCFUUUCWWPDLOI-DTORHVGOSA-N 1 2 239.275 -0.176 20 0 BBADLO Cn1c[nH+]cc1CC(=O)NOCC(C)(C)O ZINC000834621395 587761450 /nfs/dbraw/zinc/76/14/50/587761450.db2.gz DBSFGUKQQHJHMJ-UHFFFAOYSA-N 1 2 227.264 -0.219 20 0 BBADLO CC(C)(O)CONC(=O)CC[NH+]1CCOCC1 ZINC000834625079 587761845 /nfs/dbraw/zinc/76/18/45/587761845.db2.gz UYSKOOFLCRNIBJ-UHFFFAOYSA-N 1 2 246.307 -0.473 20 0 BBADLO COC(=O)[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000834819088 587767380 /nfs/dbraw/zinc/76/73/80/587767380.db2.gz JNLALRLJKIASJG-SSDOTTSWSA-N 1 2 225.248 -0.028 20 0 BBADLO CC(C)ONC(=O)NCC[NH+]1CCOCC1 ZINC000834921597 587771075 /nfs/dbraw/zinc/77/10/75/587771075.db2.gz UQVQHQQFOYOTPH-UHFFFAOYSA-N 1 2 231.296 -0.042 20 0 BBADLO O=C(N[C@@H]1COC[C@H]1O)c1cccc2[nH+]ccn21 ZINC000836972470 587844737 /nfs/dbraw/zinc/84/47/37/587844737.db2.gz JMJSOPPVVKKAPO-PSASIEDQSA-N 1 2 247.254 -0.176 20 0 BBADLO Cn1c[nH+]cc1CCOC(=O)c1nonc1N ZINC000837471637 587875830 /nfs/dbraw/zinc/87/58/30/587875830.db2.gz SDTMJECGVAMVBJ-UHFFFAOYSA-N 1 2 237.219 -0.215 20 0 BBADLO COC(=O)[C@@H](F)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000838066806 585044398 /nfs/dbraw/zinc/04/43/98/585044398.db2.gz GLTLPHSVDLCVQY-LURJTMIESA-N 1 2 229.211 -0.041 20 0 BBADLO COCC[N@H+](CC(=O)OC)C[C@H](O)C1CC1 ZINC000838846754 585074412 /nfs/dbraw/zinc/07/44/12/585074412.db2.gz MBAJIBWLMISSLY-JTQLQIEISA-N 1 2 231.292 -0.121 20 0 BBADLO COCC[N@@H+](CC(=O)OC)C[C@H](O)C1CC1 ZINC000838846754 585074411 /nfs/dbraw/zinc/07/44/11/585074411.db2.gz MBAJIBWLMISSLY-JTQLQIEISA-N 1 2 231.292 -0.121 20 0 BBADLO 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20 0 BBADLO CCN(OC)C(=O)C[NH2+]Cc1cnn(C)n1 ZINC000842769913 588061678 /nfs/dbraw/zinc/06/16/78/588061678.db2.gz VIGPYKWHZOMBSP-UHFFFAOYSA-N 1 2 227.268 -0.685 20 0 BBADLO CCN(OC)C(=O)C[NH2+]Cc1cn(C)cn1 ZINC000842770087 588061893 /nfs/dbraw/zinc/06/18/93/588061893.db2.gz ZCSJUUHNGXJPBV-UHFFFAOYSA-N 1 2 226.280 -0.080 20 0 BBADLO COC(=O)[C@@H](CO)[NH2+]CC1(O)CCCCC1 ZINC000843064768 585486345 /nfs/dbraw/zinc/48/63/45/585486345.db2.gz GYKQSEZHDLFYNN-SECBINFHSA-N 1 2 231.292 -0.195 20 0 BBADLO COC(=O)[C@H](CO)[NH2+]CC1(O)CCCCC1 ZINC000843064778 585486229 /nfs/dbraw/zinc/48/62/29/585486229.db2.gz GYKQSEZHDLFYNN-VIFPVBQESA-N 1 2 231.292 -0.195 20 0 BBADLO CON(C)C(=O)CC[NH2+]CC(F)(F)CO ZINC000843081987 588075915 /nfs/dbraw/zinc/07/59/15/588075915.db2.gz WHQZRFLURTVWAZ-UHFFFAOYSA-N 1 2 226.223 -0.387 20 0 BBADLO COC(=O)[C@@H]([NH2+]CCc1cn(C)nn1)C1CC1 ZINC000843289896 588097684 /nfs/dbraw/zinc/09/76/84/588097684.db2.gz ZVAKGVMLPRXHOP-JTQLQIEISA-N 1 2 238.291 -0.101 20 0 BBADLO COC(=O)[C@H]([NH2+]CCc1cn(C)nn1)C1CC1 ZINC000843289897 588097948 /nfs/dbraw/zinc/09/79/48/588097948.db2.gz ZVAKGVMLPRXHOP-SNVBAGLBSA-N 1 2 238.291 -0.101 20 0 BBADLO CC(F)(F)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000843309225 588098928 /nfs/dbraw/zinc/09/89/28/588098928.db2.gz XGRYOJCCVIKQQP-MRVPVSSYSA-N 1 2 234.246 -0.081 20 0 BBADLO CC(F)(F)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000843309225 588098926 /nfs/dbraw/zinc/09/89/26/588098926.db2.gz XGRYOJCCVIKQQP-MRVPVSSYSA-N 1 2 234.246 -0.081 20 0 BBADLO CCN(OC)C(=O)C[NH2+]Cc1cnccn1 ZINC000843429913 588108782 /nfs/dbraw/zinc/10/87/82/588108782.db2.gz CVWXMOTYZVYBGL-UHFFFAOYSA-N 1 2 224.264 -0.024 20 0 BBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C1(F)CC1 ZINC000843568398 588124393 /nfs/dbraw/zinc/12/43/93/588124393.db2.gz ZQCHIONYJGGFHF-SECBINFHSA-N 1 2 227.283 -0.396 20 0 BBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)C1(F)CC1 ZINC000843568399 588124472 /nfs/dbraw/zinc/12/44/72/588124472.db2.gz ZQCHIONYJGGFHF-VIFPVBQESA-N 1 2 227.283 -0.396 20 0 BBADLO O=C(N1CC[NH+](CCO)CC1)C1(F)CC1 ZINC000843764187 588138295 /nfs/dbraw/zinc/13/82/95/588138295.db2.gz PRFODEPZUFIWFD-UHFFFAOYSA-N 1 2 216.256 -0.375 20 0 BBADLO NC(=O)C[N@H+]1CCCN(C(=O)C2(F)CC2)CC1 ZINC000843788249 588140279 /nfs/dbraw/zinc/14/02/79/588140279.db2.gz LROVJRLCFTWAOJ-UHFFFAOYSA-N 1 2 243.282 -0.492 20 0 BBADLO NC(=O)C[N@@H+]1CCCN(C(=O)C2(F)CC2)CC1 ZINC000843788249 588140277 /nfs/dbraw/zinc/14/02/77/588140277.db2.gz LROVJRLCFTWAOJ-UHFFFAOYSA-N 1 2 243.282 -0.492 20 0 BBADLO Cc1nc(N)c(CNC(=O)c2cnn(C)n2)c[nH+]1 ZINC000843883196 588147173 /nfs/dbraw/zinc/14/71/73/588147173.db2.gz DBFBFOHJQUXWSB-UHFFFAOYSA-N 1 2 247.262 -0.574 20 0 BBADLO Cc1nonc1C(=O)NCc1c[nH+]c(C)nc1N ZINC000843884525 588147631 /nfs/dbraw/zinc/14/76/31/588147631.db2.gz SWHWEMIKASEVAY-UHFFFAOYSA-N 1 2 248.246 -0.011 20 0 BBADLO CCN(OC)C(=O)CNC(=O)Cn1cc[nH+]c1 ZINC000844068789 588159032 /nfs/dbraw/zinc/15/90/32/588159032.db2.gz RBMSOFCZTKWQSK-UHFFFAOYSA-N 1 2 240.263 -0.591 20 0 BBADLO CCN(OC)C(=O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000844070463 588159108 /nfs/dbraw/zinc/15/91/08/588159108.db2.gz RDXBSIRLXZKACD-UHFFFAOYSA-N 1 2 240.263 -0.142 20 0 BBADLO O=C(OCC[NH+]1CCOCC1)C1=COCCO1 ZINC000844257917 588177757 /nfs/dbraw/zinc/17/77/57/588177757.db2.gz TZTVBFNXNLWDIH-UHFFFAOYSA-N 1 2 243.259 -0.250 20 0 BBADLO CNC(=O)C[N@@H+](C)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844276703 588179354 /nfs/dbraw/zinc/17/93/54/588179354.db2.gz VGERBTPDCCGROE-SECBINFHSA-N 1 2 241.291 -0.353 20 0 BBADLO CNC(=O)C[N@H+](C)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844276703 588179353 /nfs/dbraw/zinc/17/93/53/588179353.db2.gz VGERBTPDCCGROE-SECBINFHSA-N 1 2 241.291 -0.353 20 0 BBADLO CNC(=O)C[N@@H+](C)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844276705 582578762 /nfs/dbraw/zinc/57/87/62/582578762.db2.gz VGERBTPDCCGROE-VIFPVBQESA-N 1 2 241.291 -0.353 20 0 BBADLO CNC(=O)C[N@H+](C)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844276705 582578760 /nfs/dbraw/zinc/57/87/60/582578760.db2.gz VGERBTPDCCGROE-VIFPVBQESA-N 1 2 241.291 -0.353 20 0 BBADLO COC(=O)N1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000844276798 582579448 /nfs/dbraw/zinc/57/94/48/582579448.db2.gz IGWFWTHUKQLIPA-VIFPVBQESA-N 1 2 241.291 -0.351 20 0 BBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844281498 588179880 /nfs/dbraw/zinc/17/98/80/588179880.db2.gz GKSBCDUKYBONTB-MRVPVSSYSA-N 1 2 227.264 -0.613 20 0 BBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844281498 588179878 /nfs/dbraw/zinc/17/98/78/588179878.db2.gz GKSBCDUKYBONTB-MRVPVSSYSA-N 1 2 227.264 -0.613 20 0 BBADLO C[N@H+](CC(N)=O)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844281499 588179749 /nfs/dbraw/zinc/17/97/49/588179749.db2.gz GKSBCDUKYBONTB-QMMMGPOBSA-N 1 2 227.264 -0.613 20 0 BBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844281499 588179748 /nfs/dbraw/zinc/17/97/48/588179748.db2.gz GKSBCDUKYBONTB-QMMMGPOBSA-N 1 2 227.264 -0.613 20 0 BBADLO CC1(C)C(=O)NCC[N@@H+]1C[C@@H]1CCC(=O)N1 ZINC000844298632 588182262 /nfs/dbraw/zinc/18/22/62/588182262.db2.gz WKNPUVBTTGDDTG-QMMMGPOBSA-N 1 2 225.292 -0.525 20 0 BBADLO CC1(C)C(=O)NCC[N@H+]1C[C@@H]1CCC(=O)N1 ZINC000844298632 588182260 /nfs/dbraw/zinc/18/22/60/588182260.db2.gz WKNPUVBTTGDDTG-QMMMGPOBSA-N 1 2 225.292 -0.525 20 0 BBADLO CC[N@@H+](CCS(C)(=O)=O)C[C@@H]1CCC(=O)N1 ZINC000844310401 588182944 /nfs/dbraw/zinc/18/29/44/588182944.db2.gz LQWYRZNXEXMBLL-VIFPVBQESA-N 1 2 248.348 -0.369 20 0 BBADLO CC[N@H+](CCS(C)(=O)=O)C[C@@H]1CCC(=O)N1 ZINC000844310401 588182942 /nfs/dbraw/zinc/18/29/42/588182942.db2.gz LQWYRZNXEXMBLL-VIFPVBQESA-N 1 2 248.348 -0.369 20 0 BBADLO C[C@@H]1CN(C)C(=O)C[N@H+]1C[C@@H]1CCC(=O)N1 ZINC000844321476 588184129 /nfs/dbraw/zinc/18/41/29/588184129.db2.gz XEFWKRRVXZFGNM-BDAKNGLRSA-N 1 2 225.292 -0.573 20 0 BBADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1C[C@@H]1CCC(=O)N1 ZINC000844321476 588184127 /nfs/dbraw/zinc/18/41/27/588184127.db2.gz XEFWKRRVXZFGNM-BDAKNGLRSA-N 1 2 225.292 -0.573 20 0 BBADLO C[C@H]1CN(C)C(=O)C[N@H+]1C[C@@H]1CCC(=O)N1 ZINC000844321477 588184094 /nfs/dbraw/zinc/18/40/94/588184094.db2.gz XEFWKRRVXZFGNM-IUCAKERBSA-N 1 2 225.292 -0.573 20 0 BBADLO C[C@H]1CN(C)C(=O)C[N@@H+]1C[C@@H]1CCC(=O)N1 ZINC000844321477 588184093 /nfs/dbraw/zinc/18/40/93/588184093.db2.gz XEFWKRRVXZFGNM-IUCAKERBSA-N 1 2 225.292 -0.573 20 0 BBADLO CC[N@H+](CC(N)=O)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844322315 588184531 /nfs/dbraw/zinc/18/45/31/588184531.db2.gz ZJFYQYYKHBHZLH-SECBINFHSA-N 1 2 241.291 -0.223 20 0 BBADLO CC[N@@H+](CC(N)=O)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844322315 588184530 /nfs/dbraw/zinc/18/45/30/588184530.db2.gz ZJFYQYYKHBHZLH-SECBINFHSA-N 1 2 241.291 -0.223 20 0 BBADLO CC[N@H+](CC(N)=O)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844322316 588184458 /nfs/dbraw/zinc/18/44/58/588184458.db2.gz ZJFYQYYKHBHZLH-VIFPVBQESA-N 1 2 241.291 -0.223 20 0 BBADLO CC[N@@H+](CC(N)=O)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844322316 588184457 /nfs/dbraw/zinc/18/44/57/588184457.db2.gz ZJFYQYYKHBHZLH-VIFPVBQESA-N 1 2 241.291 -0.223 20 0 BBADLO CC[C@H]1C[N@@H+](CCS(N)(=O)=O)[C@H](C)CO1 ZINC000844389619 588189173 /nfs/dbraw/zinc/18/91/73/588189173.db2.gz NZVOCDDTAWLHJI-BDAKNGLRSA-N 1 2 236.337 -0.226 20 0 BBADLO CC[C@H]1C[N@H+](CCS(N)(=O)=O)[C@H](C)CO1 ZINC000844389619 588189171 /nfs/dbraw/zinc/18/91/71/588189171.db2.gz NZVOCDDTAWLHJI-BDAKNGLRSA-N 1 2 236.337 -0.226 20 0 BBADLO CC[C@@H]1C[N@@H+](CCS(N)(=O)=O)[C@@H](C)CO1 ZINC000844389620 588188828 /nfs/dbraw/zinc/18/88/28/588188828.db2.gz NZVOCDDTAWLHJI-DTWKUNHWSA-N 1 2 236.337 -0.226 20 0 BBADLO CC[C@@H]1C[N@H+](CCS(N)(=O)=O)[C@@H](C)CO1 ZINC000844389620 588188827 /nfs/dbraw/zinc/18/88/27/588188827.db2.gz NZVOCDDTAWLHJI-DTWKUNHWSA-N 1 2 236.337 -0.226 20 0 BBADLO CC[C@H]1C[N@@H+](CCS(N)(=O)=O)[C@@H](C)CO1 ZINC000844389621 588188993 /nfs/dbraw/zinc/18/89/93/588188993.db2.gz NZVOCDDTAWLHJI-IUCAKERBSA-N 1 2 236.337 -0.226 20 0 BBADLO CC[C@H]1C[N@H+](CCS(N)(=O)=O)[C@@H](C)CO1 ZINC000844389621 588188992 /nfs/dbraw/zinc/18/89/92/588188992.db2.gz NZVOCDDTAWLHJI-IUCAKERBSA-N 1 2 236.337 -0.226 20 0 BBADLO CC[C@@H]1C[N@@H+](CCS(N)(=O)=O)[C@H](C)CO1 ZINC000844389622 588188904 /nfs/dbraw/zinc/18/89/04/588188904.db2.gz NZVOCDDTAWLHJI-RKDXNWHRSA-N 1 2 236.337 -0.226 20 0 BBADLO CC[C@@H]1C[N@H+](CCS(N)(=O)=O)[C@H](C)CO1 ZINC000844389622 588188903 /nfs/dbraw/zinc/18/89/03/588188903.db2.gz NZVOCDDTAWLHJI-RKDXNWHRSA-N 1 2 236.337 -0.226 20 0 BBADLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1nonc1C ZINC000844392522 588189346 /nfs/dbraw/zinc/18/93/46/588189346.db2.gz KGFVTGUEIXQKGE-DTWKUNHWSA-N 1 2 227.264 -0.040 20 0 BBADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nonc1C ZINC000844392522 588189344 /nfs/dbraw/zinc/18/93/44/588189344.db2.gz KGFVTGUEIXQKGE-DTWKUNHWSA-N 1 2 227.264 -0.040 20 0 BBADLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cnn(C)n1 ZINC000844393484 588189629 /nfs/dbraw/zinc/18/96/29/588189629.db2.gz ICBSYEPWIXSFMO-VHSXEESVSA-N 1 2 226.280 -0.603 20 0 BBADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cnn(C)n1 ZINC000844393484 588189627 /nfs/dbraw/zinc/18/96/27/588189627.db2.gz ICBSYEPWIXSFMO-VHSXEESVSA-N 1 2 226.280 -0.603 20 0 BBADLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1nonc1C ZINC000844404135 588190128 /nfs/dbraw/zinc/19/01/28/588190128.db2.gz KGFVTGUEIXQKGE-RKDXNWHRSA-N 1 2 227.264 -0.040 20 0 BBADLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1nonc1C ZINC000844404135 588190126 /nfs/dbraw/zinc/19/01/26/588190126.db2.gz KGFVTGUEIXQKGE-RKDXNWHRSA-N 1 2 227.264 -0.040 20 0 BBADLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cnn(C)n1 ZINC000844405027 588190554 /nfs/dbraw/zinc/19/05/54/588190554.db2.gz ICBSYEPWIXSFMO-NXEZZACHSA-N 1 2 226.280 -0.603 20 0 BBADLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cnn(C)n1 ZINC000844405027 588190552 /nfs/dbraw/zinc/19/05/52/588190552.db2.gz ICBSYEPWIXSFMO-NXEZZACHSA-N 1 2 226.280 -0.603 20 0 BBADLO COC(=O)[C@@H]1C[N@@H+](CC[S@](C)=O)C[C@H](C)O1 ZINC000844421805 588192001 /nfs/dbraw/zinc/19/20/01/588192001.db2.gz UZGGBGLXYDADMJ-BEPCFFQHSA-N 1 2 249.332 -0.373 20 0 BBADLO COC(=O)[C@@H]1C[N@H+](CC[S@](C)=O)C[C@H](C)O1 ZINC000844421805 588192000 /nfs/dbraw/zinc/19/20/00/588192000.db2.gz UZGGBGLXYDADMJ-BEPCFFQHSA-N 1 2 249.332 -0.373 20 0 BBADLO COC(=O)[C@@H]1C[N@@H+](CC[S@@](C)=O)C[C@H](C)O1 ZINC000844421806 588191620 /nfs/dbraw/zinc/19/16/20/588191620.db2.gz UZGGBGLXYDADMJ-OMQMVUIESA-N 1 2 249.332 -0.373 20 0 BBADLO COC(=O)[C@@H]1C[N@H+](CC[S@@](C)=O)C[C@H](C)O1 ZINC000844421806 588191619 /nfs/dbraw/zinc/19/16/19/588191619.db2.gz UZGGBGLXYDADMJ-OMQMVUIESA-N 1 2 249.332 -0.373 20 0 BBADLO C[C@@H]1C[N@@H+](CCS(N)(=O)=O)C2(CCC2)CO1 ZINC000844423455 588191553 /nfs/dbraw/zinc/19/15/53/588191553.db2.gz SGMUZLHYRGRHND-SECBINFHSA-N 1 2 248.348 -0.082 20 0 BBADLO C[C@@H]1C[N@H+](CCS(N)(=O)=O)C2(CCC2)CO1 ZINC000844423455 588191552 /nfs/dbraw/zinc/19/15/52/588191552.db2.gz SGMUZLHYRGRHND-SECBINFHSA-N 1 2 248.348 -0.082 20 0 BBADLO C[C@H]1C[N@@H+](CCS(N)(=O)=O)C2(CCC2)CO1 ZINC000844423456 588191952 /nfs/dbraw/zinc/19/19/52/588191952.db2.gz SGMUZLHYRGRHND-VIFPVBQESA-N 1 2 248.348 -0.082 20 0 BBADLO C[C@H]1C[N@H+](CCS(N)(=O)=O)C2(CCC2)CO1 ZINC000844423456 588191951 /nfs/dbraw/zinc/19/19/51/588191951.db2.gz SGMUZLHYRGRHND-VIFPVBQESA-N 1 2 248.348 -0.082 20 0 BBADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2CC1OCCO1 ZINC000844432156 588192133 /nfs/dbraw/zinc/19/21/33/588192133.db2.gz CPJAKENRUANEIC-RDOZXCAGSA-N 1 2 217.290 -0.436 20 0 BBADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2CC1OCCO1 ZINC000844432156 588192132 /nfs/dbraw/zinc/19/21/32/588192132.db2.gz CPJAKENRUANEIC-RDOZXCAGSA-N 1 2 217.290 -0.436 20 0 BBADLO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2CC1OCCO1 ZINC000844432157 588192375 /nfs/dbraw/zinc/19/23/75/588192375.db2.gz CPJAKENRUANEIC-FZVNPBSJSA-N 1 2 217.290 -0.436 20 0 BBADLO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2CC1OCCO1 ZINC000844432157 588192374 /nfs/dbraw/zinc/19/23/74/588192374.db2.gz CPJAKENRUANEIC-FZVNPBSJSA-N 1 2 217.290 -0.436 20 0 BBADLO CON(C)C(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000844433127 588192101 /nfs/dbraw/zinc/19/21/01/588192101.db2.gz JWNGFXVPAMOKIH-VQLIFVOLSA-N 1 2 232.305 -0.789 20 0 BBADLO CON(C)C(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000844433127 588192099 /nfs/dbraw/zinc/19/20/99/588192099.db2.gz JWNGFXVPAMOKIH-VQLIFVOLSA-N 1 2 232.305 -0.789 20 0 BBADLO CON(C)C(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000844433128 588192292 /nfs/dbraw/zinc/19/22/92/588192292.db2.gz JWNGFXVPAMOKIH-VJGMYXETSA-N 1 2 232.305 -0.789 20 0 BBADLO CON(C)C(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000844433128 588192291 /nfs/dbraw/zinc/19/22/91/588192291.db2.gz JWNGFXVPAMOKIH-VJGMYXETSA-N 1 2 232.305 -0.789 20 0 BBADLO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844450270 588195239 /nfs/dbraw/zinc/19/52/39/588195239.db2.gz IBPFCXYMFIBENP-OLQVQODUSA-N 1 2 233.218 -0.361 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844450270 588195238 /nfs/dbraw/zinc/19/52/38/588195238.db2.gz IBPFCXYMFIBENP-OLQVQODUSA-N 1 2 233.218 -0.361 20 0 BBADLO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844450878 588195623 /nfs/dbraw/zinc/19/56/23/588195623.db2.gz JMLYSWUMGPZDGU-SYDPRGILSA-N 1 2 219.191 -0.622 20 0 BBADLO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844450878 588195622 /nfs/dbraw/zinc/19/56/22/588195622.db2.gz JMLYSWUMGPZDGU-SYDPRGILSA-N 1 2 219.191 -0.622 20 0 BBADLO COC(=O)CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844455083 588196234 /nfs/dbraw/zinc/19/62/34/588196234.db2.gz UMPYBECGBYWYBD-KNVOCYPGSA-N 1 2 248.229 -0.528 20 0 BBADLO COC(=O)CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844455083 588196232 /nfs/dbraw/zinc/19/62/32/588196232.db2.gz UMPYBECGBYWYBD-KNVOCYPGSA-N 1 2 248.229 -0.528 20 0 BBADLO CCONC(=O)CNC(=S)NCC[NH+](C)C ZINC000844589070 588205537 /nfs/dbraw/zinc/20/55/37/588205537.db2.gz CXBZMYHSYRWXDJ-UHFFFAOYSA-N 1 2 248.352 -0.920 20 0 BBADLO Cc1nn(C[N@@H+](C)C[C@@H]2CCOC2)c(=O)n1C ZINC000844694624 588214348 /nfs/dbraw/zinc/21/43/48/588214348.db2.gz PMAYZWVFCYZBHI-JTQLQIEISA-N 1 2 240.307 -0.184 20 0 BBADLO Cc1nn(C[N@H+](C)C[C@@H]2CCOC2)c(=O)n1C ZINC000844694624 588214347 /nfs/dbraw/zinc/21/43/47/588214347.db2.gz PMAYZWVFCYZBHI-JTQLQIEISA-N 1 2 240.307 -0.184 20 0 BBADLO Cc1nn(C[N@@H+](C)C[C@H]2CCOC2)c(=O)n1C ZINC000844694625 588214129 /nfs/dbraw/zinc/21/41/29/588214129.db2.gz PMAYZWVFCYZBHI-SNVBAGLBSA-N 1 2 240.307 -0.184 20 0 BBADLO Cc1nn(C[N@H+](C)C[C@H]2CCOC2)c(=O)n1C ZINC000844694625 588214128 /nfs/dbraw/zinc/21/41/28/588214128.db2.gz PMAYZWVFCYZBHI-SNVBAGLBSA-N 1 2 240.307 -0.184 20 0 BBADLO COC[C@@H]1CCC[N@H+]1Cn1nc(C)n(C)c1=O ZINC000844695033 588214235 /nfs/dbraw/zinc/21/42/35/588214235.db2.gz RZILWFPTSNHAQF-JTQLQIEISA-N 1 2 240.307 -0.041 20 0 BBADLO COC[C@@H]1CCC[N@@H+]1Cn1nc(C)n(C)c1=O ZINC000844695033 588214234 /nfs/dbraw/zinc/21/42/34/588214234.db2.gz RZILWFPTSNHAQF-JTQLQIEISA-N 1 2 240.307 -0.041 20 0 BBADLO COC[C@H]1CCC[N@H+]1Cn1nc(C)n(C)c1=O ZINC000844695034 588214525 /nfs/dbraw/zinc/21/45/25/588214525.db2.gz RZILWFPTSNHAQF-SNVBAGLBSA-N 1 2 240.307 -0.041 20 0 BBADLO COC[C@H]1CCC[N@@H+]1Cn1nc(C)n(C)c1=O ZINC000844695034 588214524 /nfs/dbraw/zinc/21/45/24/588214524.db2.gz RZILWFPTSNHAQF-SNVBAGLBSA-N 1 2 240.307 -0.041 20 0 BBADLO COC[C@H]1CC[N@@H+](Cn2nc(C)n(C)c2=O)C1 ZINC000844695850 588214456 /nfs/dbraw/zinc/21/44/56/588214456.db2.gz XNZWQBBQQVBTGJ-JTQLQIEISA-N 1 2 240.307 -0.184 20 0 BBADLO COC[C@H]1CC[N@H+](Cn2nc(C)n(C)c2=O)C1 ZINC000844695850 588214454 /nfs/dbraw/zinc/21/44/54/588214454.db2.gz XNZWQBBQQVBTGJ-JTQLQIEISA-N 1 2 240.307 -0.184 20 0 BBADLO COC[C@@H]1CC[N@@H+](Cn2nc(C)n(C)c2=O)C1 ZINC000844695851 588213386 /nfs/dbraw/zinc/21/33/86/588213386.db2.gz XNZWQBBQQVBTGJ-SNVBAGLBSA-N 1 2 240.307 -0.184 20 0 BBADLO COC[C@@H]1CC[N@H+](Cn2nc(C)n(C)c2=O)C1 ZINC000844695851 588213385 /nfs/dbraw/zinc/21/33/85/588213385.db2.gz XNZWQBBQQVBTGJ-SNVBAGLBSA-N 1 2 240.307 -0.184 20 0 BBADLO Cc1nn(CN2CCn3c[nH+]cc3C2)c(=O)n1C ZINC000844708581 588214807 /nfs/dbraw/zinc/21/48/07/588214807.db2.gz NVXCIJGCMLDRMA-UHFFFAOYSA-N 1 2 248.290 -0.440 20 0 BBADLO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2CN1CCOC1=S ZINC000844743943 588215621 /nfs/dbraw/zinc/21/56/21/588215621.db2.gz FVDHTORAZAQGDJ-VQLIFVOLSA-N 1 2 246.357 -0.234 20 0 BBADLO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2CN1CCOC1=S ZINC000844743943 588215620 /nfs/dbraw/zinc/21/56/20/588215620.db2.gz FVDHTORAZAQGDJ-VQLIFVOLSA-N 1 2 246.357 -0.234 20 0 BBADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2CN1CCOC1=S ZINC000844743947 588215679 /nfs/dbraw/zinc/21/56/79/588215679.db2.gz FVDHTORAZAQGDJ-VJGMYXETSA-N 1 2 246.357 -0.234 20 0 BBADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2CN1CCOC1=S ZINC000844743947 588215678 /nfs/dbraw/zinc/21/56/78/588215678.db2.gz FVDHTORAZAQGDJ-VJGMYXETSA-N 1 2 246.357 -0.234 20 0 BBADLO O=C1CCCN1C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000844745000 588215752 /nfs/dbraw/zinc/21/57/52/588215752.db2.gz WYXCLQYGEIBUTB-UTEYVOQOSA-N 1 2 228.317 -0.229 20 0 BBADLO O=C1CCCN1C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000844745000 588215751 /nfs/dbraw/zinc/21/57/51/588215751.db2.gz WYXCLQYGEIBUTB-UTEYVOQOSA-N 1 2 228.317 -0.229 20 0 BBADLO O=C1CCCN1C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000844745001 588215690 /nfs/dbraw/zinc/21/56/90/588215690.db2.gz WYXCLQYGEIBUTB-KOSWAMCASA-N 1 2 228.317 -0.229 20 0 BBADLO O=C1CCCN1C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000844745001 588215689 /nfs/dbraw/zinc/21/56/89/588215689.db2.gz WYXCLQYGEIBUTB-KOSWAMCASA-N 1 2 228.317 -0.229 20 0 BBADLO Cc1nonc1CC(=O)NCCn1cc[nH+]c1 ZINC000845197796 588223380 /nfs/dbraw/zinc/22/33/80/588223380.db2.gz IHKYWWXAPBFXFJ-UHFFFAOYSA-N 1 2 235.247 -0.067 20 0 BBADLO C[C@H](CC(=O)OCC(N)=O)n1cc[nH+]c1 ZINC000845276666 588225130 /nfs/dbraw/zinc/22/51/30/588225130.db2.gz KNJYRXHXLONZNP-SSDOTTSWSA-N 1 2 211.221 -0.137 20 0 BBADLO C[C@@H](CC(=O)OCC(N)=O)n1cc[nH+]c1 ZINC000845276667 588225121 /nfs/dbraw/zinc/22/51/21/588225121.db2.gz KNJYRXHXLONZNP-ZETCQYMHSA-N 1 2 211.221 -0.137 20 0 BBADLO NC(=O)COC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845450273 645364360 /nfs/dbraw/zinc/36/43/60/645364360.db2.gz WXBGYYGASFVWIL-UHFFFAOYSA-N 1 2 237.259 -0.210 20 0 BBADLO CCONC(=O)CNC(=O)NC[C@H](C)[NH+](C)C ZINC000845529818 588232358 /nfs/dbraw/zinc/23/23/58/588232358.db2.gz COFPFWKXMWLYIR-QMMMGPOBSA-N 1 2 246.311 -0.697 20 0 BBADLO CCONC(=O)CNC(=O)N[C@@H](C)C[NH+](C)C ZINC000845531704 588232475 /nfs/dbraw/zinc/23/24/75/588232475.db2.gz FZQRGHHKJMHFQK-QMMMGPOBSA-N 1 2 246.311 -0.697 20 0 BBADLO CCONC(=O)CNC(=O)NCC[NH+]1CCC1 ZINC000845542027 588232979 /nfs/dbraw/zinc/23/29/79/588232979.db2.gz SAFMHIHLJDXWGA-UHFFFAOYSA-N 1 2 244.295 -0.941 20 0 BBADLO CCONC(=O)CNC(=O)N(C)CC[NH+](C)C ZINC000845545504 588233081 /nfs/dbraw/zinc/23/30/81/588233081.db2.gz WYWQTCFOUSHWPU-UHFFFAOYSA-N 1 2 246.311 -0.743 20 0 BBADLO CCONC(=O)CNC(=O)NCCC[NH+](C)C ZINC000845553813 588233430 /nfs/dbraw/zinc/23/34/30/588233430.db2.gz ZKYKPBLXYQHNLI-UHFFFAOYSA-N 1 2 246.311 -0.695 20 0 BBADLO CCONC(=O)CNC(=O)N1CC[NH+](C)CC1 ZINC000845555402 588233486 /nfs/dbraw/zinc/23/34/86/588233486.db2.gz QFUBSZIRWXKOIC-UHFFFAOYSA-N 1 2 244.295 -0.989 20 0 BBADLO Cc1nc(NCCn2cnnn2)cc[nH+]1 ZINC000845573673 588233623 /nfs/dbraw/zinc/23/36/23/588233623.db2.gz FLMLLCZWXCHNLN-UHFFFAOYSA-N 1 2 205.225 -0.116 20 0 BBADLO Cc1cc(NCCn2cnnn2)nc[nH+]1 ZINC000845574842 588233534 /nfs/dbraw/zinc/23/35/34/588233534.db2.gz PCQFWBNLSYAFGE-UHFFFAOYSA-N 1 2 205.225 -0.116 20 0 BBADLO Cn1ncc2c1nc[nH+]c2NCCn1cnnn1 ZINC000845575192 588233625 /nfs/dbraw/zinc/23/36/25/588233625.db2.gz RYOYMFVEDBYHNW-UHFFFAOYSA-N 1 2 245.250 -0.538 20 0 BBADLO CCONC(=O)CNc1cc[nH+]cc1C(N)=O ZINC000845713151 588242126 /nfs/dbraw/zinc/24/21/26/588242126.db2.gz GPVIJCVVBFSOGL-UHFFFAOYSA-N 1 2 238.247 -0.918 20 0 BBADLO CCONC(=O)CNc1cc(C)[nH+]c(N)n1 ZINC000845716469 588242607 /nfs/dbraw/zinc/24/26/07/588242607.db2.gz UXIWMFJYLAUVMS-UHFFFAOYSA-N 1 2 225.252 -0.153 20 0 BBADLO C[C@H](CC(=O)NCCn1cnnn1)n1cc[nH+]c1 ZINC000845793977 588245355 /nfs/dbraw/zinc/24/53/55/588245355.db2.gz CBFYVSYYHLEYOU-SECBINFHSA-N 1 2 249.278 -0.363 20 0 BBADLO C[C@@H](CC(=O)NCCn1cnnn1)n1cc[nH+]c1 ZINC000845793978 588245476 /nfs/dbraw/zinc/24/54/76/588245476.db2.gz CBFYVSYYHLEYOU-VIFPVBQESA-N 1 2 249.278 -0.363 20 0 BBADLO C[C@H](CC(=O)NOCCO)n1cc[nH+]c1 ZINC000845955260 588251489 /nfs/dbraw/zinc/25/14/89/588251489.db2.gz AOFWWTKDZIIDAV-MRVPVSSYSA-N 1 2 213.237 -0.126 20 0 BBADLO C[C@@H](CC(=O)NOCCO)n1cc[nH+]c1 ZINC000845955261 588251581 /nfs/dbraw/zinc/25/15/81/588251581.db2.gz AOFWWTKDZIIDAV-QMMMGPOBSA-N 1 2 213.237 -0.126 20 0 BBADLO CCn1ncc(C[N@H+]2C[C@H](O)C[C@H]2COC)n1 ZINC000846048306 645395159 /nfs/dbraw/zinc/39/51/59/645395159.db2.gz YVRCXTXOCUGVIX-WDEREUQCSA-N 1 2 240.307 -0.120 20 0 BBADLO CCn1ncc(C[N@@H+]2C[C@H](O)C[C@H]2COC)n1 ZINC000846048306 645395154 /nfs/dbraw/zinc/39/51/54/645395154.db2.gz YVRCXTXOCUGVIX-WDEREUQCSA-N 1 2 240.307 -0.120 20 0 BBADLO CCn1ncc(C[N@H+]2C[C@H](O)C[C@@H]2COC)n1 ZINC000846053831 645394910 /nfs/dbraw/zinc/39/49/10/645394910.db2.gz YVRCXTXOCUGVIX-GHMZBOCLSA-N 1 2 240.307 -0.120 20 0 BBADLO CCn1ncc(C[N@@H+]2C[C@H](O)C[C@@H]2COC)n1 ZINC000846053831 645394906 /nfs/dbraw/zinc/39/49/06/645394906.db2.gz YVRCXTXOCUGVIX-GHMZBOCLSA-N 1 2 240.307 -0.120 20 0 BBADLO CCON(C)C(=O)C[NH2+]Cc1cnn(C)n1 ZINC000846062386 588254961 /nfs/dbraw/zinc/25/49/61/588254961.db2.gz GHAIYDGTQNWDKK-UHFFFAOYSA-N 1 2 227.268 -0.685 20 0 BBADLO CCON(C)C(=O)C[NH2+]Cc1cc[nH]n1 ZINC000846062628 588254991 /nfs/dbraw/zinc/25/49/91/588254991.db2.gz JTMUKSLINDPWOA-UHFFFAOYSA-N 1 2 212.253 -0.091 20 0 BBADLO CCON(C)C(=O)C[NH2+]Cc1cn(C)nn1 ZINC000846062736 588254980 /nfs/dbraw/zinc/25/49/80/588254980.db2.gz KKMULQASGCOOOT-UHFFFAOYSA-N 1 2 227.268 -0.685 20 0 BBADLO CCON(C)C(=O)C[NH2+]Cc1ccn(C)n1 ZINC000846062783 588255098 /nfs/dbraw/zinc/25/50/98/588255098.db2.gz MMGDQRFYQJKGOZ-UHFFFAOYSA-N 1 2 226.280 -0.080 20 0 BBADLO CCON(C)C(=O)C[NH2+]Cc1ncc[nH]1 ZINC000846063616 588254989 /nfs/dbraw/zinc/25/49/89/588254989.db2.gz UULUQRZBUZVABJ-UHFFFAOYSA-N 1 2 212.253 -0.091 20 0 BBADLO CCON(C)C(=O)C[NH2+]Cc1cnn(CC)n1 ZINC000846063845 588255002 /nfs/dbraw/zinc/25/50/02/588255002.db2.gz PCRSHGDFOKTNLP-UHFFFAOYSA-N 1 2 241.295 -0.203 20 0 BBADLO CCON(C)C(=O)C[NH2+]Cc1nccn1C ZINC000846064031 588255115 /nfs/dbraw/zinc/25/51/15/588255115.db2.gz ZNNKJXRENBYFHW-UHFFFAOYSA-N 1 2 226.280 -0.080 20 0 BBADLO CCON(C)C(=O)C[NH2+]Cc1cnccn1 ZINC000846066107 582644925 /nfs/dbraw/zinc/64/49/25/582644925.db2.gz ZVNQPTMBDZFYPX-UHFFFAOYSA-N 1 2 224.264 -0.024 20 0 BBADLO CCON(C)C(=O)C[NH2+]Cc1cn(C)cn1 ZINC000846071728 645400931 /nfs/dbraw/zinc/40/09/31/645400931.db2.gz SPAYPYROPSRVKW-UHFFFAOYSA-N 1 2 226.280 -0.080 20 0 BBADLO O=C(Cn1cc[nH+]c1)NCCOC(=O)C1CC1 ZINC000846076344 588255656 /nfs/dbraw/zinc/25/56/56/588255656.db2.gz MFIRLGMMPOIGJR-UHFFFAOYSA-N 1 2 237.259 -0.048 20 0 BBADLO CCONC(=O)C[NH2+]CC1(C)COC1 ZINC000846085715 588255970 /nfs/dbraw/zinc/25/59/70/588255970.db2.gz KUWATSNQSWNUOB-UHFFFAOYSA-N 1 2 202.254 -0.320 20 0 BBADLO CCONC(=O)C[NH2+][C@H]1CCN(CCOC)C1 ZINC000846088436 588256153 /nfs/dbraw/zinc/25/61/53/588256153.db2.gz YRGDBCRSJAJSPH-JTQLQIEISA-N 1 2 245.323 -0.636 20 0 BBADLO CCONC(=O)C[NH2+][C@@H]1CCN(CCOC)C1 ZINC000846088645 588256364 /nfs/dbraw/zinc/25/63/64/588256364.db2.gz YRGDBCRSJAJSPH-SNVBAGLBSA-N 1 2 245.323 -0.636 20 0 BBADLO CCONC(=O)C[NH2+]C1CCOCC1 ZINC000846088755 588256323 /nfs/dbraw/zinc/25/63/23/588256323.db2.gz KJPYLYPVCZNZPH-UHFFFAOYSA-N 1 2 202.254 -0.177 20 0 BBADLO CCO[N-]C(=O)C[NH2+]Cc1c[nH+]cn1C ZINC000846089054 588256129 /nfs/dbraw/zinc/25/61/29/588256129.db2.gz ORSKVFINAFWTJS-UHFFFAOYSA-N 1 2 212.253 -0.423 20 0 BBADLO CCONC(=O)C[NH2+]C1CC(CC(=O)OC)C1 ZINC000846090311 588255926 /nfs/dbraw/zinc/25/59/26/588255926.db2.gz GJJUVGZCVOXPEG-UHFFFAOYSA-N 1 2 244.291 -0.015 20 0 BBADLO CCONC(=O)C[NH2+]C[C@@H](C)COC ZINC000846091010 588256401 /nfs/dbraw/zinc/25/64/01/588256401.db2.gz HWXCOFCMRHWVPS-MRVPVSSYSA-N 1 2 204.270 -0.074 20 0 BBADLO CCONC(=O)C[NH2+]C[C@H](C)COC ZINC000846091011 588256230 /nfs/dbraw/zinc/25/62/30/588256230.db2.gz HWXCOFCMRHWVPS-QMMMGPOBSA-N 1 2 204.270 -0.074 20 0 BBADLO CCO[N-]C(=O)C[NH2+]C1CC[NH+](C)CC1 ZINC000846091546 645400049 /nfs/dbraw/zinc/40/00/49/645400049.db2.gz RFLJYHSJIVHQNU-UHFFFAOYSA-N 1 2 215.297 -0.262 20 0 BBADLO COC[C@@H](O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000846096935 645404936 /nfs/dbraw/zinc/40/49/36/645404936.db2.gz SMXQMNYWEKZROK-UWVGGRQHSA-N 1 2 241.291 -0.042 20 0 BBADLO COC[C@@H](O)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000846096936 645404597 /nfs/dbraw/zinc/40/45/97/645404597.db2.gz SMXQMNYWEKZROK-ZJUUUORDSA-N 1 2 241.291 -0.042 20 0 BBADLO CC1(C)COC(=O)[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000846129990 588258563 /nfs/dbraw/zinc/25/85/63/588258563.db2.gz UCVPDULCXPDIAE-SECBINFHSA-N 1 2 237.259 -0.049 20 0 BBADLO CC1(C)COC(=O)[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000846129991 588258548 /nfs/dbraw/zinc/25/85/48/588258548.db2.gz UCVPDULCXPDIAE-VIFPVBQESA-N 1 2 237.259 -0.049 20 0 BBADLO Cc1nonc1CC(=O)NOCC[NH+](C)C ZINC000846231953 588262010 /nfs/dbraw/zinc/26/20/10/588262010.db2.gz KTUPEECXFWHGAK-UHFFFAOYSA-N 1 2 228.252 -0.470 20 0 BBADLO COC(=O)[C@@H](F)CNC(=O)Cn1cc[nH+]c1 ZINC000846258640 588262965 /nfs/dbraw/zinc/26/29/65/588262965.db2.gz RZCOFVPCIBVIBU-ZETCQYMHSA-N 1 2 229.211 -0.490 20 0 BBADLO CON(C)C(=O)CNC(=O)Cn1cc[nH+]c1 ZINC000846267614 588263358 /nfs/dbraw/zinc/26/33/58/588263358.db2.gz VCEGCMJJOOPURQ-UHFFFAOYSA-N 1 2 226.236 -0.981 20 0 BBADLO COC(=O)NC[C@@H]1CN(C(=O)OC)CC[N@H+]1C ZINC000846280106 588263651 /nfs/dbraw/zinc/26/36/51/588263651.db2.gz BEGPFPHDCOFVJG-MRVPVSSYSA-N 1 2 245.279 -0.275 20 0 BBADLO COC(=O)NC[C@@H]1CN(C(=O)OC)CC[N@@H+]1C ZINC000846280106 588263650 /nfs/dbraw/zinc/26/36/50/588263650.db2.gz BEGPFPHDCOFVJG-MRVPVSSYSA-N 1 2 245.279 -0.275 20 0 BBADLO COC(=O)NC[C@H]1CN(C(=O)OC)CC[N@H+]1C ZINC000846280107 588263890 /nfs/dbraw/zinc/26/38/90/588263890.db2.gz BEGPFPHDCOFVJG-QMMMGPOBSA-N 1 2 245.279 -0.275 20 0 BBADLO COC(=O)NC[C@H]1CN(C(=O)OC)CC[N@@H+]1C ZINC000846280107 588263889 /nfs/dbraw/zinc/26/38/89/588263889.db2.gz BEGPFPHDCOFVJG-QMMMGPOBSA-N 1 2 245.279 -0.275 20 0 BBADLO CCONC(=O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000846490811 588267488 /nfs/dbraw/zinc/26/74/88/588267488.db2.gz MHUVFIBTPXJUJZ-MRVPVSSYSA-N 1 2 229.280 -0.878 20 0 BBADLO CCONC(=O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000846490811 588267487 /nfs/dbraw/zinc/26/74/87/588267487.db2.gz MHUVFIBTPXJUJZ-MRVPVSSYSA-N 1 2 229.280 -0.878 20 0 BBADLO CCONC(=O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000846490812 588267720 /nfs/dbraw/zinc/26/77/20/588267720.db2.gz MHUVFIBTPXJUJZ-QMMMGPOBSA-N 1 2 229.280 -0.878 20 0 BBADLO CCONC(=O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000846490812 588267719 /nfs/dbraw/zinc/26/77/19/588267719.db2.gz MHUVFIBTPXJUJZ-QMMMGPOBSA-N 1 2 229.280 -0.878 20 0 BBADLO CCONC(=O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000846491110 588267462 /nfs/dbraw/zinc/26/74/62/588267462.db2.gz LYWPXYPRUJXQTP-RKDXNWHRSA-N 1 2 243.307 -0.490 20 0 BBADLO CCONC(=O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000846491110 588267461 /nfs/dbraw/zinc/26/74/61/588267461.db2.gz LYWPXYPRUJXQTP-RKDXNWHRSA-N 1 2 243.307 -0.490 20 0 BBADLO CCONC(=O)CNC(=O)Cn1cc[nH+]c1C ZINC000846491944 588268132 /nfs/dbraw/zinc/26/81/32/588268132.db2.gz VVGGVPQSBVCDAI-UHFFFAOYSA-N 1 2 240.263 -0.625 20 0 BBADLO CCONC(=O)CNC(=O)Cn1cc[nH+]c1 ZINC000846492062 588267894 /nfs/dbraw/zinc/26/78/94/588267894.db2.gz VODXAUPPHBQBMI-UHFFFAOYSA-N 1 2 226.236 -0.933 20 0 BBADLO CCONC(=O)CNC(=O)C1([NH+](C)C)CCC1 ZINC000846492186 588267781 /nfs/dbraw/zinc/26/77/81/588267781.db2.gz ZAZLEZHNUIUQOK-UHFFFAOYSA-N 1 2 243.307 -0.345 20 0 BBADLO CCONC(=O)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000846493300 588267864 /nfs/dbraw/zinc/26/78/64/588267864.db2.gz URCRNWOYVFADIA-SECBINFHSA-N 1 2 243.307 -0.345 20 0 BBADLO CCONC(=O)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000846493300 588267863 /nfs/dbraw/zinc/26/78/63/588267863.db2.gz URCRNWOYVFADIA-SECBINFHSA-N 1 2 243.307 -0.345 20 0 BBADLO CCONC(=O)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000846493541 588268318 /nfs/dbraw/zinc/26/83/18/588268318.db2.gz ANOGOEFTLMOELY-JTQLQIEISA-N 1 2 245.323 -0.244 20 0 BBADLO CCONC(=O)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000846493542 588268281 /nfs/dbraw/zinc/26/82/81/588268281.db2.gz ANOGOEFTLMOELY-SNVBAGLBSA-N 1 2 245.323 -0.244 20 0 BBADLO CCONC(=O)CNC(=O)[C@@H](CC)[NH+](C)C ZINC000846493568 588268467 /nfs/dbraw/zinc/26/84/67/588268467.db2.gz BOMKKJFMQPFJBO-MRVPVSSYSA-N 1 2 231.296 -0.490 20 0 BBADLO CCONC(=O)CNC(=O)[C@H](CC)[NH+](C)C ZINC000846493569 588268542 /nfs/dbraw/zinc/26/85/42/588268542.db2.gz BOMKKJFMQPFJBO-QMMMGPOBSA-N 1 2 231.296 -0.490 20 0 BBADLO CCONC(=O)CNC(=O)[C@H](C)[NH+](C)C ZINC000846493760 588268410 /nfs/dbraw/zinc/26/84/10/588268410.db2.gz FKGYRESFNAFUIQ-ZETCQYMHSA-N 1 2 217.269 -0.880 20 0 BBADLO CCONC(=O)CNC(=O)C[N@@H+](CC)C1CC1 ZINC000846493851 588268447 /nfs/dbraw/zinc/26/84/47/588268447.db2.gz IANMVIJJYMHWKO-UHFFFAOYSA-N 1 2 243.307 -0.345 20 0 BBADLO CCONC(=O)CNC(=O)C[N@H+](CC)C1CC1 ZINC000846493851 588268446 /nfs/dbraw/zinc/26/84/46/588268446.db2.gz IANMVIJJYMHWKO-UHFFFAOYSA-N 1 2 243.307 -0.345 20 0 BBADLO CCONC(=O)CNC(=O)C[NH+](CC)CC ZINC000846494533 588268337 /nfs/dbraw/zinc/26/83/37/588268337.db2.gz HTTJMNBSEAFDRH-UHFFFAOYSA-N 1 2 231.296 -0.488 20 0 BBADLO CCC[N@@H+](C)CC(=O)NCC(=O)NOCC ZINC000846495795 588268897 /nfs/dbraw/zinc/26/88/97/588268897.db2.gz KVKVGKDILNSDOQ-UHFFFAOYSA-N 1 2 231.296 -0.488 20 0 BBADLO CCC[N@H+](C)CC(=O)NCC(=O)NOCC ZINC000846495795 588268896 /nfs/dbraw/zinc/26/88/96/588268896.db2.gz KVKVGKDILNSDOQ-UHFFFAOYSA-N 1 2 231.296 -0.488 20 0 BBADLO CCONC(=O)CNC(=O)CCCC[NH+](C)C ZINC000846496589 588268876 /nfs/dbraw/zinc/26/88/76/588268876.db2.gz PHZRFCLUDCMFAF-UHFFFAOYSA-N 1 2 245.323 -0.098 20 0 BBADLO CCONC(=O)CNC(=O)CCn1cc[nH+]c1 ZINC000846496623 588268858 /nfs/dbraw/zinc/26/88/58/588268858.db2.gz QNGQMOGTOUEVQI-UHFFFAOYSA-N 1 2 240.263 -0.543 20 0 BBADLO CCONC(=O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC000846497725 588268699 /nfs/dbraw/zinc/26/86/99/588268699.db2.gz ZCMOCIPYLWMRGL-MRVPVSSYSA-N 1 2 229.280 -0.736 20 0 BBADLO CCONC(=O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000846497725 588268698 /nfs/dbraw/zinc/26/86/98/588268698.db2.gz ZCMOCIPYLWMRGL-MRVPVSSYSA-N 1 2 229.280 -0.736 20 0 BBADLO CCONC(=O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000846497727 588268914 /nfs/dbraw/zinc/26/89/14/588268914.db2.gz ZCMOCIPYLWMRGL-QMMMGPOBSA-N 1 2 229.280 -0.736 20 0 BBADLO CCONC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000846497727 588268913 /nfs/dbraw/zinc/26/89/13/588268913.db2.gz ZCMOCIPYLWMRGL-QMMMGPOBSA-N 1 2 229.280 -0.736 20 0 BBADLO CCONC(=O)CNC(=O)C[N@@H+](C)C(C)C ZINC000846499011 588268664 /nfs/dbraw/zinc/26/86/64/588268664.db2.gz VCURUEIZAHMBBH-UHFFFAOYSA-N 1 2 231.296 -0.490 20 0 BBADLO CCONC(=O)CNC(=O)C[N@H+](C)C(C)C ZINC000846499011 588268663 /nfs/dbraw/zinc/26/86/63/588268663.db2.gz VCURUEIZAHMBBH-UHFFFAOYSA-N 1 2 231.296 -0.490 20 0 BBADLO CCON(C)C(=O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000846505599 588269278 /nfs/dbraw/zinc/26/92/78/588269278.db2.gz KFOVPPCVIATLER-UHFFFAOYSA-N 1 2 240.263 -0.142 20 0 BBADLO CCON(C)C(=O)CNC(=O)Cn1cc[nH+]c1 ZINC000846505871 588269281 /nfs/dbraw/zinc/26/92/81/588269281.db2.gz QDKKPEPCSQXJJA-UHFFFAOYSA-N 1 2 240.263 -0.591 20 0 BBADLO O=C(C(F)F)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000846511927 588269637 /nfs/dbraw/zinc/26/96/37/588269637.db2.gz DEXOFNCZMPDLMR-SSDOTTSWSA-N 1 2 220.219 -0.471 20 0 BBADLO O=C(C(F)F)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000846511927 588269636 /nfs/dbraw/zinc/26/96/36/588269636.db2.gz DEXOFNCZMPDLMR-SSDOTTSWSA-N 1 2 220.219 -0.471 20 0 BBADLO C[C@H](CC(=O)NN1CN=NC1=O)n1cc[nH+]c1 ZINC000846636254 588280182 /nfs/dbraw/zinc/28/01/82/588280182.db2.gz GUUSHHLBUOHGQM-SSDOTTSWSA-N 1 2 236.235 -0.098 20 0 BBADLO C[C@@H](CC(=O)NN1CN=NC1=O)n1cc[nH+]c1 ZINC000846636255 588280282 /nfs/dbraw/zinc/28/02/82/588280282.db2.gz GUUSHHLBUOHGQM-ZETCQYMHSA-N 1 2 236.235 -0.098 20 0 BBADLO C[NH+](C)CC[C@@H]([NH3+])C(=O)[N-]O[C@@H]1CCCCO1 ZINC000846672526 588282024 /nfs/dbraw/zinc/28/20/24/588282024.db2.gz NQZZRZLVWPPJGB-NXEZZACHSA-N 1 2 245.323 -0.160 20 0 BBADLO C[NH+](C)CC[C@H]([NH3+])C(=O)[N-]O[C@H]1CCCCO1 ZINC000846672528 588282000 /nfs/dbraw/zinc/28/20/00/588282000.db2.gz NQZZRZLVWPPJGB-UWVGGRQHSA-N 1 2 245.323 -0.160 20 0 BBADLO C[NH+](C)CC[C@H]([NH3+])C(=O)[N-]O[C@@H]1CCCCO1 ZINC000846672530 588281901 /nfs/dbraw/zinc/28/19/01/588281901.db2.gz NQZZRZLVWPPJGB-VHSXEESVSA-N 1 2 245.323 -0.160 20 0 BBADLO C[NH+](C)CC[C@@H]([NH3+])C(=O)[N-]O[C@H]1CCCCO1 ZINC000846672531 588282016 /nfs/dbraw/zinc/28/20/16/588282016.db2.gz NQZZRZLVWPPJGB-ZJUUUORDSA-N 1 2 245.323 -0.160 20 0 BBADLO CCN1C[C@@H](C[N@@H+](C)CC(=O)NC)OC1=O ZINC000846770305 588286953 /nfs/dbraw/zinc/28/69/53/588286953.db2.gz VFXAGUMNXMOPBI-MRVPVSSYSA-N 1 2 229.280 -0.495 20 0 BBADLO CCN1C[C@@H](C[N@H+](C)CC(=O)NC)OC1=O ZINC000846770305 588286952 /nfs/dbraw/zinc/28/69/52/588286952.db2.gz VFXAGUMNXMOPBI-MRVPVSSYSA-N 1 2 229.280 -0.495 20 0 BBADLO CCN1C[C@H](C[N@@H+](C)CC(=O)NC)OC1=O ZINC000846770306 588287027 /nfs/dbraw/zinc/28/70/27/588287027.db2.gz VFXAGUMNXMOPBI-QMMMGPOBSA-N 1 2 229.280 -0.495 20 0 BBADLO CCN1C[C@H](C[N@H+](C)CC(=O)NC)OC1=O ZINC000846770306 588287026 /nfs/dbraw/zinc/28/70/26/588287026.db2.gz VFXAGUMNXMOPBI-QMMMGPOBSA-N 1 2 229.280 -0.495 20 0 BBADLO CCN1C[C@@H](C[N@@H+](C)CC(=O)N(C)C)OC1=O ZINC000846771746 588287244 /nfs/dbraw/zinc/28/72/44/588287244.db2.gz MHEWLSIBQZJYAP-SECBINFHSA-N 1 2 243.307 -0.153 20 0 BBADLO CCN1C[C@@H](C[N@H+](C)CC(=O)N(C)C)OC1=O ZINC000846771746 588287243 /nfs/dbraw/zinc/28/72/43/588287243.db2.gz MHEWLSIBQZJYAP-SECBINFHSA-N 1 2 243.307 -0.153 20 0 BBADLO CCN1C[C@H](C[N@@H+](C)CC(=O)N(C)C)OC1=O ZINC000846771748 588287549 /nfs/dbraw/zinc/28/75/49/588287549.db2.gz MHEWLSIBQZJYAP-VIFPVBQESA-N 1 2 243.307 -0.153 20 0 BBADLO CCN1C[C@H](C[N@H+](C)CC(=O)N(C)C)OC1=O ZINC000846771748 588287548 /nfs/dbraw/zinc/28/75/48/588287548.db2.gz MHEWLSIBQZJYAP-VIFPVBQESA-N 1 2 243.307 -0.153 20 0 BBADLO CCN1C[C@@H](C[N@@H+](C)CC(N)=O)OC1=O ZINC000846772596 588287541 /nfs/dbraw/zinc/28/75/41/588287541.db2.gz SQCFMVXBXGZJDJ-SSDOTTSWSA-N 1 2 215.253 -0.756 20 0 BBADLO CCN1C[C@@H](C[N@H+](C)CC(N)=O)OC1=O ZINC000846772596 588287540 /nfs/dbraw/zinc/28/75/40/588287540.db2.gz SQCFMVXBXGZJDJ-SSDOTTSWSA-N 1 2 215.253 -0.756 20 0 BBADLO CCN1C[C@H](C[N@@H+](C)CC(N)=O)OC1=O ZINC000846772600 588287337 /nfs/dbraw/zinc/28/73/37/588287337.db2.gz SQCFMVXBXGZJDJ-ZETCQYMHSA-N 1 2 215.253 -0.756 20 0 BBADLO CCN1C[C@H](C[N@H+](C)CC(N)=O)OC1=O ZINC000846772600 588287336 /nfs/dbraw/zinc/28/73/36/588287336.db2.gz SQCFMVXBXGZJDJ-ZETCQYMHSA-N 1 2 215.253 -0.756 20 0 BBADLO CCNC(=O)C[N@@H+](C)C[C@@H]1CN(CC)C(=O)O1 ZINC000846776248 588287657 /nfs/dbraw/zinc/28/76/57/588287657.db2.gz NWMIJTTWEUNVKX-SECBINFHSA-N 1 2 243.307 -0.105 20 0 BBADLO CCNC(=O)C[N@H+](C)C[C@@H]1CN(CC)C(=O)O1 ZINC000846776248 588287656 /nfs/dbraw/zinc/28/76/56/588287656.db2.gz NWMIJTTWEUNVKX-SECBINFHSA-N 1 2 243.307 -0.105 20 0 BBADLO CCNC(=O)C[N@@H+](C)C[C@H]1CN(CC)C(=O)O1 ZINC000846776251 588287750 /nfs/dbraw/zinc/28/77/50/588287750.db2.gz NWMIJTTWEUNVKX-VIFPVBQESA-N 1 2 243.307 -0.105 20 0 BBADLO CCNC(=O)C[N@H+](C)C[C@H]1CN(CC)C(=O)O1 ZINC000846776251 588287749 /nfs/dbraw/zinc/28/77/49/588287749.db2.gz NWMIJTTWEUNVKX-VIFPVBQESA-N 1 2 243.307 -0.105 20 0 BBADLO CCN1C[C@@H](C[N@H+]2CCNC(=O)CC2)OC1=O ZINC000846796076 588288933 /nfs/dbraw/zinc/28/89/33/588288933.db2.gz DXNUVVWMAFTCNA-SECBINFHSA-N 1 2 241.291 -0.351 20 0 BBADLO CCN1C[C@@H](C[N@@H+]2CCNC(=O)CC2)OC1=O ZINC000846796076 588288932 /nfs/dbraw/zinc/28/89/32/588288932.db2.gz DXNUVVWMAFTCNA-SECBINFHSA-N 1 2 241.291 -0.351 20 0 BBADLO CCN1C[C@H](C[N@H+]2CCNC(=O)CC2)OC1=O ZINC000846796077 588288946 /nfs/dbraw/zinc/28/89/46/588288946.db2.gz DXNUVVWMAFTCNA-VIFPVBQESA-N 1 2 241.291 -0.351 20 0 BBADLO CCN1C[C@H](C[N@@H+]2CCNC(=O)CC2)OC1=O ZINC000846796077 588288945 /nfs/dbraw/zinc/28/89/45/588288945.db2.gz DXNUVVWMAFTCNA-VIFPVBQESA-N 1 2 241.291 -0.351 20 0 BBADLO CCN1C[C@@H](C[N@@H+](CC)CC(N)=O)OC1=O ZINC000846871960 588294277 /nfs/dbraw/zinc/29/42/77/588294277.db2.gz LGMNYBPINRIPIH-MRVPVSSYSA-N 1 2 229.280 -0.366 20 0 BBADLO CCN1C[C@@H](C[N@H+](CC)CC(N)=O)OC1=O ZINC000846871960 588294276 /nfs/dbraw/zinc/29/42/76/588294276.db2.gz LGMNYBPINRIPIH-MRVPVSSYSA-N 1 2 229.280 -0.366 20 0 BBADLO CCN1C[C@H](C[N@@H+](CC)CC(N)=O)OC1=O ZINC000846871961 588294369 /nfs/dbraw/zinc/29/43/69/588294369.db2.gz LGMNYBPINRIPIH-QMMMGPOBSA-N 1 2 229.280 -0.366 20 0 BBADLO CCN1C[C@H](C[N@H+](CC)CC(N)=O)OC1=O ZINC000846871961 588294368 /nfs/dbraw/zinc/29/43/68/588294368.db2.gz LGMNYBPINRIPIH-QMMMGPOBSA-N 1 2 229.280 -0.366 20 0 BBADLO C[N@@H+](CCC(N)=O)Cc1cnsn1 ZINC000846901812 588296316 /nfs/dbraw/zinc/29/63/16/588296316.db2.gz AXCNRRNTESETQZ-UHFFFAOYSA-N 1 2 200.267 -0.155 20 0 BBADLO C[N@H+](CCC(N)=O)Cc1cnsn1 ZINC000846901812 588296315 /nfs/dbraw/zinc/29/63/15/588296315.db2.gz AXCNRRNTESETQZ-UHFFFAOYSA-N 1 2 200.267 -0.155 20 0 BBADLO CN1C[C@H]([N@@H+](C)CCS(C)(=O)=O)CCC1=O ZINC000846920020 588296990 /nfs/dbraw/zinc/29/69/90/588296990.db2.gz FQXAWEDJATXKHG-SECBINFHSA-N 1 2 248.348 -0.416 20 0 BBADLO CN1C[C@H]([N@H+](C)CCS(C)(=O)=O)CCC1=O ZINC000846920020 588296989 /nfs/dbraw/zinc/29/69/89/588296989.db2.gz FQXAWEDJATXKHG-SECBINFHSA-N 1 2 248.348 -0.416 20 0 BBADLO CN1C[C@@H]([N@@H+](C)CCS(C)(=O)=O)CCC1=O ZINC000846920022 588296736 /nfs/dbraw/zinc/29/67/36/588296736.db2.gz FQXAWEDJATXKHG-VIFPVBQESA-N 1 2 248.348 -0.416 20 0 BBADLO CN1C[C@@H]([N@H+](C)CCS(C)(=O)=O)CCC1=O ZINC000846920022 588296735 /nfs/dbraw/zinc/29/67/35/588296735.db2.gz FQXAWEDJATXKHG-VIFPVBQESA-N 1 2 248.348 -0.416 20 0 BBADLO Cn1ncc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)n1 ZINC000846920867 588296983 /nfs/dbraw/zinc/29/69/83/588296983.db2.gz LITSCRPZTOMAOL-JTQLQIEISA-N 1 2 237.307 -0.132 20 0 BBADLO Cn1ncc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)n1 ZINC000846920867 588296982 /nfs/dbraw/zinc/29/69/82/588296982.db2.gz LITSCRPZTOMAOL-JTQLQIEISA-N 1 2 237.307 -0.132 20 0 BBADLO Cn1ncc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)n1 ZINC000846920869 588296959 /nfs/dbraw/zinc/29/69/59/588296959.db2.gz LITSCRPZTOMAOL-SNVBAGLBSA-N 1 2 237.307 -0.132 20 0 BBADLO Cn1ncc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)n1 ZINC000846920869 588296958 /nfs/dbraw/zinc/29/69/58/588296958.db2.gz LITSCRPZTOMAOL-SNVBAGLBSA-N 1 2 237.307 -0.132 20 0 BBADLO CCn1nc(C)c(C[NH2+]C(CO)CO)n1 ZINC000846943562 588297987 /nfs/dbraw/zinc/29/79/87/588297987.db2.gz ZJTWXRRLJHMBES-UHFFFAOYSA-N 1 2 214.269 -0.951 20 0 BBADLO CNC(=O)NC(=O)C[NH+]1CCC(C(C)=O)CC1 ZINC000846950365 588298329 /nfs/dbraw/zinc/29/83/29/588298329.db2.gz DSTGJBCGDIOMFL-UHFFFAOYSA-N 1 2 241.291 -0.257 20 0 BBADLO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3cnsn3)C[C@H]12 ZINC000846960513 588298488 /nfs/dbraw/zinc/29/84/88/588298488.db2.gz UFVARWODDCEEKT-KNVOCYPGSA-N 1 2 238.272 -0.758 20 0 BBADLO O=C1NC(=O)[C@@H]2C[N@H+](Cc3cnsn3)C[C@H]12 ZINC000846960513 588298487 /nfs/dbraw/zinc/29/84/87/588298487.db2.gz UFVARWODDCEEKT-KNVOCYPGSA-N 1 2 238.272 -0.758 20 0 BBADLO CCCNC(=O)C[NH+]1CCN(OC)CC1 ZINC000846971078 588299273 /nfs/dbraw/zinc/29/92/73/588299273.db2.gz KEJKFQPPZITKLU-UHFFFAOYSA-N 1 2 215.297 -0.308 20 0 BBADLO CON1CC[NH+](CC(=O)N(C)C)CC1 ZINC000846972260 588299318 /nfs/dbraw/zinc/29/93/18/588299318.db2.gz QDBPUSIYRIYQBU-UHFFFAOYSA-N 1 2 201.270 -0.746 20 0 BBADLO CON1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000846974504 588299641 /nfs/dbraw/zinc/29/96/41/588299641.db2.gz BMFKJAISEBMHNT-UHFFFAOYSA-N 1 2 241.291 -0.686 20 0 BBADLO CON1CC[NH+](CC[S@@](C)=O)CC1 ZINC000846974597 588299716 /nfs/dbraw/zinc/29/97/16/588299716.db2.gz HUPHMFQEOWFXHE-CYBMUJFWSA-N 1 2 206.311 -0.456 20 0 BBADLO CON1CC[NH+](CC[S@](C)=O)CC1 ZINC000846974599 588299479 /nfs/dbraw/zinc/29/94/79/588299479.db2.gz HUPHMFQEOWFXHE-ZDUSSCGKSA-N 1 2 206.311 -0.456 20 0 BBADLO CON(C)C(=O)C[NH+]1CCN(OC)CC1 ZINC000846974748 588299714 /nfs/dbraw/zinc/29/97/14/588299714.db2.gz CUTVFSJJSDKMGH-UHFFFAOYSA-N 1 2 217.269 -0.815 20 0 BBADLO CON1CC[NH+](CCN2CCOC2=O)CC1 ZINC000846974899 588299729 /nfs/dbraw/zinc/29/97/29/588299729.db2.gz AVGLYOPZXAPGBQ-UHFFFAOYSA-N 1 2 229.280 -0.382 20 0 BBADLO CON1CC[NH+](CC2OCCO2)CC1 ZINC000846974978 588299487 /nfs/dbraw/zinc/29/94/87/588299487.db2.gz FPMRONJMAINNGV-UHFFFAOYSA-N 1 2 202.254 -0.462 20 0 BBADLO CCOCCNC(=O)C[NH+]1CCN(OC)CC1 ZINC000846975476 588299653 /nfs/dbraw/zinc/29/96/53/588299653.db2.gz GPBUUMDPAHVMBE-UHFFFAOYSA-N 1 2 245.323 -0.682 20 0 BBADLO CON1CC[NH+]([C@H]2CCCN(C)C2=O)CC1 ZINC000846975562 588298605 /nfs/dbraw/zinc/29/86/05/588298605.db2.gz GPGOVFOGBCQDFM-JTQLQIEISA-N 1 2 227.308 -0.214 20 0 BBADLO CON1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC000846975563 588298599 /nfs/dbraw/zinc/29/85/99/588298599.db2.gz GPGOVFOGBCQDFM-SNVBAGLBSA-N 1 2 227.308 -0.214 20 0 BBADLO CON1CC[NH+](CC(=O)NCC2CC2)CC1 ZINC000846975643 588298509 /nfs/dbraw/zinc/29/85/09/588298509.db2.gz IIBBZTVSPLJIJA-UHFFFAOYSA-N 1 2 227.308 -0.308 20 0 BBADLO CON1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000846976075 588299995 /nfs/dbraw/zinc/29/99/95/588299995.db2.gz JHDWKEYYVFSYJG-SECBINFHSA-N 1 2 213.281 -0.604 20 0 BBADLO CON1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000846976083 588299883 /nfs/dbraw/zinc/29/98/83/588299883.db2.gz JHDWKEYYVFSYJG-VIFPVBQESA-N 1 2 213.281 -0.604 20 0 BBADLO CON1CC[NH+](CC(=O)N(C)C2CC2)CC1 ZINC000846976120 588299794 /nfs/dbraw/zinc/29/97/94/588299794.db2.gz KAYDQGUVFLFGJE-UHFFFAOYSA-N 1 2 227.308 -0.214 20 0 BBADLO CON1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000846976482 588298222 /nfs/dbraw/zinc/29/82/22/588298222.db2.gz IHSLRSFPOSRNAQ-UHFFFAOYSA-N 1 2 213.281 -0.602 20 0 BBADLO CC[C@H](C(N)=O)[NH+]1CCN(OC)CC1 ZINC000846976936 588299850 /nfs/dbraw/zinc/29/98/50/588299850.db2.gz KTLDTMABMYUKKZ-MRVPVSSYSA-N 1 2 201.270 -0.571 20 0 BBADLO CC[C@@H](C(N)=O)[NH+]1CCN(OC)CC1 ZINC000846976938 588299816 /nfs/dbraw/zinc/29/98/16/588299816.db2.gz KTLDTMABMYUKKZ-QMMMGPOBSA-N 1 2 201.270 -0.571 20 0 BBADLO CON1CCN(CC[NH+]2CCOCC2)CC1 ZINC000846977042 588300066 /nfs/dbraw/zinc/30/00/66/588300066.db2.gz OEDBJFSGIAOQHF-UHFFFAOYSA-N 1 2 229.324 -0.502 20 0 BBADLO CCN(C)C(=O)C[NH+]1CCN(OC)CC1 ZINC000846977308 588299927 /nfs/dbraw/zinc/29/99/27/588299927.db2.gz MWBYXBVYIWLANA-UHFFFAOYSA-N 1 2 215.297 -0.356 20 0 BBADLO CON1CC[NH+](CCNC(=O)NC(C)C)CC1 ZINC000846977496 588300022 /nfs/dbraw/zinc/30/00/22/588300022.db2.gz VNGMWCADIIGXDV-UHFFFAOYSA-N 1 2 244.339 -0.127 20 0 BBADLO CON1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000846979104 645409207 /nfs/dbraw/zinc/40/92/07/645409207.db2.gz QTSSTDAPPJIQSW-SECBINFHSA-N 1 2 213.281 -0.556 20 0 BBADLO CON1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000846979106 645409344 /nfs/dbraw/zinc/40/93/44/645409344.db2.gz QTSSTDAPPJIQSW-VIFPVBQESA-N 1 2 213.281 -0.556 20 0 BBADLO CON1CCN([C@H](C)C[NH+]2CCOCC2)CC1 ZINC000846979829 645411573 /nfs/dbraw/zinc/41/15/73/645411573.db2.gz SZLDEEOZDREYRM-GFCCVEGCSA-N 1 2 243.351 -0.114 20 0 BBADLO CON1CCN([C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000846979840 645411696 /nfs/dbraw/zinc/41/16/96/645411696.db2.gz SZLDEEOZDREYRM-LBPRGKRZSA-N 1 2 243.351 -0.114 20 0 BBADLO CON1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000846980371 645411316 /nfs/dbraw/zinc/41/13/16/645411316.db2.gz VFLUOTHSWMGYDT-UHFFFAOYSA-N 1 2 243.351 -0.112 20 0 BBADLO CON1CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC000846983156 588300425 /nfs/dbraw/zinc/30/04/25/588300425.db2.gz NYFIJFZIBVNGON-SECBINFHSA-N 1 2 215.297 -0.358 20 0 BBADLO CON1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC000846983157 588300162 /nfs/dbraw/zinc/30/01/62/588300162.db2.gz NYFIJFZIBVNGON-VIFPVBQESA-N 1 2 215.297 -0.358 20 0 BBADLO CON1CC[NH+](CC(=O)NCC(C)C)CC1 ZINC000846983822 588300419 /nfs/dbraw/zinc/30/04/19/588300419.db2.gz UDJHUIDOYWCFFE-UHFFFAOYSA-N 1 2 229.324 -0.062 20 0 BBADLO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(OC)CC1 ZINC000846985768 588300244 /nfs/dbraw/zinc/30/02/44/588300244.db2.gz SGDGYNBWIWJZRJ-MRVPVSSYSA-N 1 2 244.295 -0.991 20 0 BBADLO CNC(=O)NC(=O)[C@H](C)[NH+]1CCN(OC)CC1 ZINC000846985775 588300253 /nfs/dbraw/zinc/30/02/53/588300253.db2.gz SGDGYNBWIWJZRJ-QMMMGPOBSA-N 1 2 244.295 -0.991 20 0 BBADLO COCCCNC(=O)C[NH+]1CCN(OC)CC1 ZINC000846986000 588300178 /nfs/dbraw/zinc/30/01/78/588300178.db2.gz STPLNAHDNBRPSM-UHFFFAOYSA-N 1 2 245.323 -0.682 20 0 BBADLO CON1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000846987376 588300324 /nfs/dbraw/zinc/30/03/24/588300324.db2.gz ZZUFAYJDHZAICI-SECBINFHSA-N 1 2 227.308 -0.168 20 0 BBADLO COC(=O)[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000846987383 588300145 /nfs/dbraw/zinc/30/01/45/588300145.db2.gz JNLALRLJKIASJG-ZETCQYMHSA-N 1 2 225.248 -0.028 20 0 BBADLO CON1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000846987388 588300152 /nfs/dbraw/zinc/30/01/52/588300152.db2.gz ZZUFAYJDHZAICI-VIFPVBQESA-N 1 2 227.308 -0.168 20 0 BBADLO Cn1cnnc1N1CC[NH+](CCF)CC1 ZINC000847038275 588304686 /nfs/dbraw/zinc/30/46/86/588304686.db2.gz SEUUFSGANQCDEZ-UHFFFAOYSA-N 1 2 213.260 -0.093 20 0 BBADLO C/C=C(/C)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000847140436 588307645 /nfs/dbraw/zinc/30/76/45/588307645.db2.gz ONKRSDAYDSGOEG-CGXZDELUSA-N 1 2 242.319 -0.238 20 0 BBADLO C/C=C(\C)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000847140437 588307598 /nfs/dbraw/zinc/30/75/98/588307598.db2.gz ONKRSDAYDSGOEG-JNZVDCKRSA-N 1 2 242.319 -0.238 20 0 BBADLO C/C=C(/C)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000847140439 588307715 /nfs/dbraw/zinc/30/77/15/588307715.db2.gz ONKRSDAYDSGOEG-LBQOUHFTSA-N 1 2 242.319 -0.238 20 0 BBADLO C/C=C(\C)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000847140441 588307556 /nfs/dbraw/zinc/30/75/56/588307556.db2.gz ONKRSDAYDSGOEG-LFJXOHPOSA-N 1 2 242.319 -0.238 20 0 BBADLO COC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000847140499 588307600 /nfs/dbraw/zinc/30/76/00/588307600.db2.gz PIRPTJSENWRQMU-MRVPVSSYSA-N 1 2 218.253 -0.965 20 0 BBADLO COC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000847140505 588307633 /nfs/dbraw/zinc/30/76/33/588307633.db2.gz PIRPTJSENWRQMU-QMMMGPOBSA-N 1 2 218.253 -0.965 20 0 BBADLO C/C=C\C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000847142676 588307592 /nfs/dbraw/zinc/30/75/92/588307592.db2.gz YPZCPSOBMHTVIN-MXQLGCADSA-N 1 2 228.292 -0.628 20 0 BBADLO C/C=C/C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000847142679 588307572 /nfs/dbraw/zinc/30/75/72/588307572.db2.gz YPZCPSOBMHTVIN-PBKGFPTLSA-N 1 2 228.292 -0.628 20 0 BBADLO C/C=C/C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000847142683 588307668 /nfs/dbraw/zinc/30/76/68/588307668.db2.gz YPZCPSOBMHTVIN-VMZHVLLKSA-N 1 2 228.292 -0.628 20 0 BBADLO C/C=C\C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000847142685 588307642 /nfs/dbraw/zinc/30/76/42/588307642.db2.gz YPZCPSOBMHTVIN-ZMWSMAPVSA-N 1 2 228.292 -0.628 20 0 BBADLO CC1(C)C[NH+](CC(=O)Nn2cnnc2)C1 ZINC000847648804 588322783 /nfs/dbraw/zinc/32/27/83/588322783.db2.gz BBPJGSPGDCEMSS-UHFFFAOYSA-N 1 2 209.253 -0.310 20 0 BBADLO CC1(C)C[NH+](CC(=O)NN2CCCNC2=O)C1 ZINC000847675673 588325673 /nfs/dbraw/zinc/32/56/73/588325673.db2.gz BHURIEQSEBSAAY-UHFFFAOYSA-N 1 2 240.307 -0.225 20 0 BBADLO O=C(O[C@H]1CNOC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000848056838 588350201 /nfs/dbraw/zinc/35/02/01/588350201.db2.gz BYAKYNSAISULCT-BDAKNGLRSA-N 1 2 237.259 -0.108 20 0 BBADLO O=C(O[C@H]1CNOC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000848056841 588350381 /nfs/dbraw/zinc/35/03/81/588350381.db2.gz BYAKYNSAISULCT-IUCAKERBSA-N 1 2 237.259 -0.108 20 0 BBADLO CC1(C)C[NH+](CC(=O)O[C@H]2CNOC2)C1 ZINC000848056927 588350294 /nfs/dbraw/zinc/35/02/94/588350294.db2.gz DZAUATDTRGIWCP-QMMMGPOBSA-N 1 2 214.265 -0.225 20 0 BBADLO Cn1c[nH+]cc1CC(=O)O[C@H]1CNOC1 ZINC000848058585 588351264 /nfs/dbraw/zinc/35/12/64/588351264.db2.gz GGQIKYOMBTUFJS-QMMMGPOBSA-N 1 2 211.221 -0.591 20 0 BBADLO Cc1[nH+]c[nH]c1CC(=O)O[C@H]1CNOC1 ZINC000848058617 588351281 /nfs/dbraw/zinc/35/12/81/588351281.db2.gz HPXNVDIREBBBEJ-ZETCQYMHSA-N 1 2 211.221 -0.293 20 0 BBADLO C[N@H+]1CCCC[C@@H]1C(=O)O[C@H]1CNOC1 ZINC000848058618 588351426 /nfs/dbraw/zinc/35/14/26/588351426.db2.gz HQEIDTHURZGVCK-DTWKUNHWSA-N 1 2 214.265 -0.083 20 0 BBADLO C[N@@H+]1CCCC[C@@H]1C(=O)O[C@H]1CNOC1 ZINC000848058618 588351424 /nfs/dbraw/zinc/35/14/24/588351424.db2.gz HQEIDTHURZGVCK-DTWKUNHWSA-N 1 2 214.265 -0.083 20 0 BBADLO O=C(CCc1c[nH]c[nH+]1)O[C@H]1CNOC1 ZINC000848058736 588351632 /nfs/dbraw/zinc/35/16/32/588351632.db2.gz LCZXUUXIOWZCEU-QMMMGPOBSA-N 1 2 211.221 -0.211 20 0 BBADLO O=C(CCc1c[nH+]c[nH]1)O[C@H]1CNOC1 ZINC000848058736 588351629 /nfs/dbraw/zinc/35/16/29/588351629.db2.gz LCZXUUXIOWZCEU-QMMMGPOBSA-N 1 2 211.221 -0.211 20 0 BBADLO O=C(CCc1[nH]cc[nH+]1)O[C@H]1CNOC1 ZINC000848058902 582746997 /nfs/dbraw/zinc/74/69/97/582746997.db2.gz SCXRFHVQEMXWCZ-ZETCQYMHSA-N 1 2 211.221 -0.211 20 0 BBADLO O=C(O[C@H]1CNOC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000848059018 588351363 /nfs/dbraw/zinc/35/13/63/588351363.db2.gz AOLXKLXOJWNZOJ-BDAKNGLRSA-N 1 2 237.259 -0.108 20 0 BBADLO O=C(O[C@H]1CNOC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000848059019 588351326 /nfs/dbraw/zinc/35/13/26/588351326.db2.gz AOLXKLXOJWNZOJ-IUCAKERBSA-N 1 2 237.259 -0.108 20 0 BBADLO O=C(CC[NH+]1CCOCC1)O[C@H]1CNOC1 ZINC000848059310 588351952 /nfs/dbraw/zinc/35/19/52/588351952.db2.gz IDAIBRPRGNIDST-VIFPVBQESA-N 1 2 230.264 -0.845 20 0 BBADLO C[N@H+]1CCC[C@@H]1C(=O)O[C@H]1CNOC1 ZINC000848059611 588352007 /nfs/dbraw/zinc/35/20/07/588352007.db2.gz CUBPISNAXIVKDT-JGVFFNPUSA-N 1 2 200.238 -0.473 20 0 BBADLO C[N@@H+]1CCC[C@@H]1C(=O)O[C@H]1CNOC1 ZINC000848059611 588352006 /nfs/dbraw/zinc/35/20/06/588352006.db2.gz CUBPISNAXIVKDT-JGVFFNPUSA-N 1 2 200.238 -0.473 20 0 BBADLO C[N@H+]1CCC[C@H]1C(=O)O[C@H]1CNOC1 ZINC000848059615 588351877 /nfs/dbraw/zinc/35/18/77/588351877.db2.gz CUBPISNAXIVKDT-YUMQZZPRSA-N 1 2 200.238 -0.473 20 0 BBADLO C[N@@H+]1CCC[C@H]1C(=O)O[C@H]1CNOC1 ZINC000848059615 588351874 /nfs/dbraw/zinc/35/18/74/588351874.db2.gz CUBPISNAXIVKDT-YUMQZZPRSA-N 1 2 200.238 -0.473 20 0 BBADLO O=C(O[C@H]1CNOC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000848060257 588352226 /nfs/dbraw/zinc/35/22/26/588352226.db2.gz PIBFGLSCPKGSBX-SCZZXKLOSA-N 1 2 237.259 -0.108 20 0 BBADLO O=C(O[C@H]1CNOC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000848060258 588352377 /nfs/dbraw/zinc/35/23/77/588352377.db2.gz PIBFGLSCPKGSBX-WPRPVWTQSA-N 1 2 237.259 -0.108 20 0 BBADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H]2CNOC2)C1 ZINC000848060756 588352256 /nfs/dbraw/zinc/35/22/56/588352256.db2.gz ULNZMQPCXSLQEB-DTWKUNHWSA-N 1 2 230.264 -0.846 20 0 BBADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H]2CNOC2)C1 ZINC000848060756 588352254 /nfs/dbraw/zinc/35/22/54/588352254.db2.gz ULNZMQPCXSLQEB-DTWKUNHWSA-N 1 2 230.264 -0.846 20 0 BBADLO CC[N@H+]1CCO[C@H](C(=O)O[C@H]2CNOC2)C1 ZINC000848060758 588352326 /nfs/dbraw/zinc/35/23/26/588352326.db2.gz ULNZMQPCXSLQEB-IUCAKERBSA-N 1 2 230.264 -0.846 20 0 BBADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H]2CNOC2)C1 ZINC000848060758 588352324 /nfs/dbraw/zinc/35/23/24/588352324.db2.gz ULNZMQPCXSLQEB-IUCAKERBSA-N 1 2 230.264 -0.846 20 0 BBADLO Cn1ncc(CNC(=O)C[NH+]2CC(C)(C)C2)n1 ZINC000848070847 588353249 /nfs/dbraw/zinc/35/32/49/588353249.db2.gz IZFCRBSWDZPTLF-UHFFFAOYSA-N 1 2 237.307 -0.227 20 0 BBADLO C=C=CCNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000848116622 588358142 /nfs/dbraw/zinc/35/81/42/588358142.db2.gz SCNHIJBGUMRPNR-UHFFFAOYSA-N 1 2 239.319 -0.100 20 0 BBADLO C=C=CCNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000848116622 588358141 /nfs/dbraw/zinc/35/81/41/588358141.db2.gz SCNHIJBGUMRPNR-UHFFFAOYSA-N 1 2 239.319 -0.100 20 0 BBADLO CCn1cc[nH+]c1CNC(=O)c1cnn(C)n1 ZINC000848174771 588365035 /nfs/dbraw/zinc/36/50/35/588365035.db2.gz VQKQTRYGGVOMEQ-UHFFFAOYSA-N 1 2 234.263 -0.039 20 0 BBADLO CON(C)C(=O)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000848228746 588365970 /nfs/dbraw/zinc/36/59/70/588365970.db2.gz IRABNQALPIEEPU-UHFFFAOYSA-N 1 2 243.307 -0.536 20 0 BBADLO CCONC(=O)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000848242937 588367246 /nfs/dbraw/zinc/36/72/46/588367246.db2.gz RVKPVKFXCSPCIL-SECBINFHSA-N 1 2 243.307 -0.488 20 0 BBADLO CCONC(=O)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000848242937 588367244 /nfs/dbraw/zinc/36/72/44/588367244.db2.gz RVKPVKFXCSPCIL-SECBINFHSA-N 1 2 243.307 -0.488 20 0 BBADLO CCONC(=O)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000848242938 588367305 /nfs/dbraw/zinc/36/73/05/588367305.db2.gz RVKPVKFXCSPCIL-VIFPVBQESA-N 1 2 243.307 -0.488 20 0 BBADLO CCONC(=O)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000848242938 588367303 /nfs/dbraw/zinc/36/73/03/588367303.db2.gz RVKPVKFXCSPCIL-VIFPVBQESA-N 1 2 243.307 -0.488 20 0 BBADLO O=C(O[C@H]1CNOC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000848378172 588374397 /nfs/dbraw/zinc/37/43/97/588374397.db2.gz KDKDEUIJBCWFDW-SCZZXKLOSA-N 1 2 237.259 -0.108 20 0 BBADLO O=C(O[C@H]1CNOC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000848378173 588374573 /nfs/dbraw/zinc/37/45/73/588374573.db2.gz KDKDEUIJBCWFDW-WPRPVWTQSA-N 1 2 237.259 -0.108 20 0 BBADLO CC(C)(C)n1nnc(CO[NH+]=C(N)CCO)n1 ZINC000848511552 588387817 /nfs/dbraw/zinc/38/78/17/588387817.db2.gz WLWSTDDEYOQTJN-UHFFFAOYSA-N 1 2 242.283 -0.191 20 0 BBADLO COc1c(N)nc[nH+]c1N1C[C@H]2C[C@@]2(CO)C1 ZINC000848687272 588405885 /nfs/dbraw/zinc/40/58/85/588405885.db2.gz ZHMYOKVDERYLKC-HQJQHLMTSA-N 1 2 236.275 -0.114 20 0 BBADLO COc1c(N)[nH+]cnc1N1C[C@H]2C[C@@]2(CO)C1 ZINC000848687272 588405884 /nfs/dbraw/zinc/40/58/84/588405884.db2.gz ZHMYOKVDERYLKC-HQJQHLMTSA-N 1 2 236.275 -0.114 20 0 BBADLO COc1c(N)nc[nH+]c1N1C[C@@H]2C[C@]2(CO)C1 ZINC000848687274 588405903 /nfs/dbraw/zinc/40/59/03/588405903.db2.gz ZHMYOKVDERYLKC-WRWORJQWSA-N 1 2 236.275 -0.114 20 0 BBADLO COc1c(N)[nH+]cnc1N1C[C@@H]2C[C@]2(CO)C1 ZINC000848687274 588405901 /nfs/dbraw/zinc/40/59/01/588405901.db2.gz ZHMYOKVDERYLKC-WRWORJQWSA-N 1 2 236.275 -0.114 20 0 BBADLO CNC(=O)[C@H](O)CNc1nc[nH+]c(C)c1OC ZINC000848689352 588405751 /nfs/dbraw/zinc/40/57/51/588405751.db2.gz DESCCYSBSQJUDI-SSDOTTSWSA-N 1 2 240.263 -0.688 20 0 BBADLO CNC(=O)[C@@H](O)CNc1nc[nH+]c(C)c1OC ZINC000848689354 588405921 /nfs/dbraw/zinc/40/59/21/588405921.db2.gz DESCCYSBSQJUDI-ZETCQYMHSA-N 1 2 240.263 -0.688 20 0 BBADLO COc1c(N)nc[nH+]c1NCC(=O)N(C)OC ZINC000848726126 588409055 /nfs/dbraw/zinc/40/90/55/588409055.db2.gz ZRRLETVTCUIGKO-UHFFFAOYSA-N 1 2 241.251 -0.501 20 0 BBADLO COc1c(N)[nH+]cnc1NCC(=O)N(C)OC ZINC000848726126 588409053 /nfs/dbraw/zinc/40/90/53/588409053.db2.gz ZRRLETVTCUIGKO-UHFFFAOYSA-N 1 2 241.251 -0.501 20 0 BBADLO Cn1c(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cnc1Cl ZINC000848887417 588416780 /nfs/dbraw/zinc/41/67/80/588416780.db2.gz WAJHOIKHCRVERS-OCAPTIKFSA-N 1 2 231.683 -0.389 20 0 BBADLO Cn1c(C[N@H+]2C[C@@H](O)[C@@H](O)C2)cnc1Cl ZINC000848887417 588416778 /nfs/dbraw/zinc/41/67/78/588416778.db2.gz WAJHOIKHCRVERS-OCAPTIKFSA-N 1 2 231.683 -0.389 20 0 BBADLO CCn1ncc(C[N@H+]2CCn3nncc3C2)n1 ZINC000848922477 588420741 /nfs/dbraw/zinc/42/07/41/588420741.db2.gz UBLYKOJRABELKW-UHFFFAOYSA-N 1 2 233.279 -0.095 20 0 BBADLO CCn1ncc(C[N@@H+]2CCn3nncc3C2)n1 ZINC000848922477 588420740 /nfs/dbraw/zinc/42/07/40/588420740.db2.gz UBLYKOJRABELKW-UHFFFAOYSA-N 1 2 233.279 -0.095 20 0 BBADLO CCONC(=O)CNC(=[NH2+])N1CCSCC1 ZINC000849048028 588450533 /nfs/dbraw/zinc/45/05/33/588450533.db2.gz AWELVWQKPWRDAZ-UHFFFAOYSA-N 1 2 246.336 -0.373 20 0 BBADLO CCCNC(=[NH2+])NCC(=O)NOCC ZINC000849048133 588451104 /nfs/dbraw/zinc/45/11/04/588451104.db2.gz DOEUCIFHIPCULN-UHFFFAOYSA-N 1 2 202.258 -0.422 20 0 BBADLO CCONC(=O)CNC(=[NH2+])NC(C)C ZINC000849048287 588451144 /nfs/dbraw/zinc/45/11/44/588451144.db2.gz GKQVZPNUTROVMF-UHFFFAOYSA-N 1 2 202.258 -0.424 20 0 BBADLO CCONC(=O)CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000849048292 588451135 /nfs/dbraw/zinc/45/11/35/588451135.db2.gz GMOKOLKEBACBTM-MRVPVSSYSA-N 1 2 244.295 -0.653 20 0 BBADLO CCONC(=O)CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000849048293 588450962 /nfs/dbraw/zinc/45/09/62/588450962.db2.gz GMOKOLKEBACBTM-QMMMGPOBSA-N 1 2 244.295 -0.653 20 0 BBADLO CCONC(=O)CNC(=[NH2+])NC(C)(C)C ZINC000849048530 588451035 /nfs/dbraw/zinc/45/10/35/588451035.db2.gz IHHYUQHURDFKLX-UHFFFAOYSA-N 1 2 216.285 -0.033 20 0 BBADLO CCONC(=O)CNC(=[NH2+])NC1CC1 ZINC000849048599 582841897 /nfs/dbraw/zinc/84/18/97/582841897.db2.gz JRLAVPAUEPLSKD-UHFFFAOYSA-N 1 2 200.242 -0.670 20 0 BBADLO CCONC(=O)CNC(=[NH2+])NCC(C)C ZINC000849048616 588451150 /nfs/dbraw/zinc/45/11/50/588451150.db2.gz KNPIKXQCIYQMBY-UHFFFAOYSA-N 1 2 216.285 -0.176 20 0 BBADLO CCONC(=O)CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000849048837 588451503 /nfs/dbraw/zinc/45/15/03/588451503.db2.gz LYPXUKSOUBMYSN-MRVPVSSYSA-N 1 2 244.295 -0.701 20 0 BBADLO CCONC(=O)CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000849048838 588451340 /nfs/dbraw/zinc/45/13/40/588451340.db2.gz LYPXUKSOUBMYSN-QMMMGPOBSA-N 1 2 244.295 -0.701 20 0 BBADLO CCONC(=O)CNC(=[NH2+])N[C@H](C)CC ZINC000849049154 588451418 /nfs/dbraw/zinc/45/14/18/588451418.db2.gz OAEFFDJKBPWSCZ-SSDOTTSWSA-N 1 2 216.285 -0.033 20 0 BBADLO CCONC(=O)CNC(=[NH2+])N[C@@H](C)CC ZINC000849049155 588451295 /nfs/dbraw/zinc/45/12/95/588451295.db2.gz OAEFFDJKBPWSCZ-ZETCQYMHSA-N 1 2 216.285 -0.033 20 0 BBADLO CCCCNC(=[NH2+])NCC(=O)NOCC ZINC000849049245 588451375 /nfs/dbraw/zinc/45/13/75/588451375.db2.gz OVUUCAHYYWFNJY-UHFFFAOYSA-N 1 2 216.285 -0.032 20 0 BBADLO CCONC(=O)CNC(=[NH2+])NC1CCC1 ZINC000849049276 588451454 /nfs/dbraw/zinc/45/14/54/588451454.db2.gz PLLXCPLHVCLBNP-UHFFFAOYSA-N 1 2 214.269 -0.279 20 0 BBADLO CCONC(=O)CNC(=[NH2+])N[C@H](C)COC ZINC000849049525 588451434 /nfs/dbraw/zinc/45/14/34/588451434.db2.gz RRGKIADNBZLHTO-SSDOTTSWSA-N 1 2 232.284 -0.797 20 0 BBADLO CCONC(=O)CNC(=[NH2+])N[C@@H](C)COC ZINC000849049531 588451459 /nfs/dbraw/zinc/45/14/59/588451459.db2.gz RRGKIADNBZLHTO-ZETCQYMHSA-N 1 2 232.284 -0.797 20 0 BBADLO CCONC(=O)CNC(=[NH2+])N1CCC1 ZINC000849049676 588451320 /nfs/dbraw/zinc/45/13/20/588451320.db2.gz UFCCXICMYABWIQ-UHFFFAOYSA-N 1 2 200.242 -0.716 20 0 BBADLO CCONC(=O)CNC(=[NH2+])N(CC)CC ZINC000849049717 588451485 /nfs/dbraw/zinc/45/14/85/588451485.db2.gz VCJLGSVUIUYTJL-UHFFFAOYSA-N 1 2 216.285 -0.080 20 0 BBADLO CCONC(=O)CNC(=[NH2+])N(C)C1CC1 ZINC000849050057 588451307 /nfs/dbraw/zinc/45/13/07/588451307.db2.gz XRQVVZPKWPZNKM-UHFFFAOYSA-N 1 2 214.269 -0.327 20 0 BBADLO CCONC(=O)CNC(=[NH2+])NCC1CCC1 ZINC000849050079 588451929 /nfs/dbraw/zinc/45/19/29/588451929.db2.gz XXMQVLRJDVUZFU-UHFFFAOYSA-N 1 2 228.296 -0.032 20 0 BBADLO CCONC(=O)CNC1=[NH+]CCCN1C ZINC000849050090 588451993 /nfs/dbraw/zinc/45/19/93/588451993.db2.gz YDTLTODNVSMRLS-UHFFFAOYSA-N 1 2 214.269 -0.665 20 0 BBADLO CCOCCCNC(=[NH2+])NCC(=O)NOCC ZINC000849050317 588451742 /nfs/dbraw/zinc/45/17/42/588451742.db2.gz ZIQPFTIZMRCDSZ-UHFFFAOYSA-N 1 2 246.311 -0.405 20 0 BBADLO Cn1cc(C(=O)OCC[NH+]2CCOCC2)cn1 ZINC000849168311 588458914 /nfs/dbraw/zinc/45/89/14/588458914.db2.gz JVDYHJAFDJLWEC-UHFFFAOYSA-N 1 2 239.275 -0.091 20 0 BBADLO CCONC(=O)CNC1=[NH+]CCCCN1 ZINC000849218512 588463175 /nfs/dbraw/zinc/46/31/75/588463175.db2.gz YAOYWNXILJXZFK-UHFFFAOYSA-N 1 2 214.269 -0.617 20 0 BBADLO CNC(=S)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000849289978 588470117 /nfs/dbraw/zinc/47/01/17/588470117.db2.gz SGCNMADVHOKEFO-SECBINFHSA-N 1 2 229.349 -0.103 20 0 BBADLO CNC(=S)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000849289979 588470193 /nfs/dbraw/zinc/47/01/93/588470193.db2.gz SGCNMADVHOKEFO-VIFPVBQESA-N 1 2 229.349 -0.103 20 0 BBADLO O=C1NCC2(C[NH+](C[C@@]3(O)CCCOC3)C2)O1 ZINC000849325017 582848305 /nfs/dbraw/zinc/84/83/05/582848305.db2.gz AAYCVMPQIAFUNO-JTQLQIEISA-N 1 2 242.275 -0.678 20 0 BBADLO O=C1NCC2(C[NH+](C[C@]3(O)CCCOC3)C2)O1 ZINC000849325026 582848295 /nfs/dbraw/zinc/84/82/95/582848295.db2.gz AAYCVMPQIAFUNO-SNVBAGLBSA-N 1 2 242.275 -0.678 20 0 BBADLO O=C(OCCn1cc[nH+]c1)C1(n2cnnn2)CC1 ZINC000849997710 582873993 /nfs/dbraw/zinc/87/39/93/582873993.db2.gz ZELWPQSKBPTPPB-UHFFFAOYSA-N 1 2 248.246 -0.398 20 0 BBADLO COC[C@H](OC)C(=O)OCC[NH+]1CCOCC1 ZINC000850201697 588527973 /nfs/dbraw/zinc/52/79/73/588527973.db2.gz SIJHWBPTDWHINP-JTQLQIEISA-N 1 2 247.291 -0.477 20 0 BBADLO COC[C@@H](OC)C(=O)OCC[NH+]1CCOCC1 ZINC000850201698 588528036 /nfs/dbraw/zinc/52/80/36/588528036.db2.gz SIJHWBPTDWHINP-SNVBAGLBSA-N 1 2 247.291 -0.477 20 0 BBADLO O=C(OCC[NH+]1CCOCC1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000850258871 588532262 /nfs/dbraw/zinc/53/22/62/588532262.db2.gz VEWYHNWHWIDBGW-URLYPYJESA-N 1 2 241.287 -0.246 20 0 BBADLO CCONC(=O)C[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)OC ZINC000850337925 588537480 /nfs/dbraw/zinc/53/74/80/588537480.db2.gz CHKSDVGZWKCFRW-HLTSFMKQSA-N 1 2 244.291 -0.159 20 0 BBADLO CCONC(=O)C[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000850337927 588537612 /nfs/dbraw/zinc/53/76/12/588537612.db2.gz CHKSDVGZWKCFRW-HRDYMLBCSA-N 1 2 244.291 -0.159 20 0 BBADLO CCONC(=O)C[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC ZINC000850337928 588537609 /nfs/dbraw/zinc/53/76/09/588537609.db2.gz CHKSDVGZWKCFRW-IWSPIJDZSA-N 1 2 244.291 -0.159 20 0 BBADLO CCONC(=O)C[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)OC ZINC000850337930 588537492 /nfs/dbraw/zinc/53/74/92/588537492.db2.gz CHKSDVGZWKCFRW-VGMNWLOBSA-N 1 2 244.291 -0.159 20 0 BBADLO CCO[N-]C(=O)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000850339400 588537365 /nfs/dbraw/zinc/53/73/65/588537365.db2.gz RHLWDWOPMSAHGG-UHFFFAOYSA-N 1 2 238.291 -0.013 20 0 BBADLO CCO[N-]C(=O)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000850339911 588537524 /nfs/dbraw/zinc/53/75/24/588537524.db2.gz VVPWZFBKTTWWII-UHFFFAOYSA-N 1 2 226.280 -0.114 20 0 BBADLO CCn1ncc(C[NH2+]C[C@@H](C)S(C)(=O)=O)n1 ZINC000850421260 588545513 /nfs/dbraw/zinc/54/55/13/588545513.db2.gz WWBKWRNVFXMVBD-MRVPVSSYSA-N 1 2 246.336 -0.179 20 0 BBADLO CCn1ncc(C[NH2+]C[C@H](C)S(C)(=O)=O)n1 ZINC000850421261 588545781 /nfs/dbraw/zinc/54/57/81/588545781.db2.gz WWBKWRNVFXMVBD-QMMMGPOBSA-N 1 2 246.336 -0.179 20 0 BBADLO CC1(C)OC[C@@H](CC[N@H+]2CCNC(=O)C2)O1 ZINC000851711871 588615404 /nfs/dbraw/zinc/61/54/04/588615404.db2.gz HLOSICBUKXWHEC-SECBINFHSA-N 1 2 228.292 -0.040 20 0 BBADLO CC1(C)OC[C@@H](CC[N@@H+]2CCNC(=O)C2)O1 ZINC000851711871 588615403 /nfs/dbraw/zinc/61/54/03/588615403.db2.gz HLOSICBUKXWHEC-SECBINFHSA-N 1 2 228.292 -0.040 20 0 BBADLO CC1(C)OC[C@H](CC[N@H+]2CCNC(=O)C2)O1 ZINC000851711872 588615518 /nfs/dbraw/zinc/61/55/18/588615518.db2.gz HLOSICBUKXWHEC-VIFPVBQESA-N 1 2 228.292 -0.040 20 0 BBADLO CC1(C)OC[C@H](CC[N@@H+]2CCNC(=O)C2)O1 ZINC000851711872 588615517 /nfs/dbraw/zinc/61/55/17/588615517.db2.gz HLOSICBUKXWHEC-VIFPVBQESA-N 1 2 228.292 -0.040 20 0 BBADLO CC1(C)OC[C@@H](C[N@H+]2CCNC(=O)C2)O1 ZINC000851712456 588615658 /nfs/dbraw/zinc/61/56/58/588615658.db2.gz OWTNCGBVQGYYSC-MRVPVSSYSA-N 1 2 214.265 -0.430 20 0 BBADLO CC1(C)OC[C@@H](C[N@@H+]2CCNC(=O)C2)O1 ZINC000851712456 588615657 /nfs/dbraw/zinc/61/56/57/588615657.db2.gz OWTNCGBVQGYYSC-MRVPVSSYSA-N 1 2 214.265 -0.430 20 0 BBADLO CC1(C)OC[C@H](C[N@H+]2CCNC(=O)C2)O1 ZINC000851712457 588615617 /nfs/dbraw/zinc/61/56/17/588615617.db2.gz OWTNCGBVQGYYSC-QMMMGPOBSA-N 1 2 214.265 -0.430 20 0 BBADLO CC1(C)OC[C@H](C[N@@H+]2CCNC(=O)C2)O1 ZINC000851712457 588615616 /nfs/dbraw/zinc/61/56/16/588615616.db2.gz OWTNCGBVQGYYSC-QMMMGPOBSA-N 1 2 214.265 -0.430 20 0 BBADLO COC(=O)C[N@@H+](C)C[C@H]1CCC(=O)O1 ZINC000851715671 588616119 /nfs/dbraw/zinc/61/61/19/588616119.db2.gz AUAKBFUTZOPXJL-SSDOTTSWSA-N 1 2 201.222 -0.203 20 0 BBADLO COC(=O)C[N@H+](C)C[C@H]1CCC(=O)O1 ZINC000851715671 588616118 /nfs/dbraw/zinc/61/61/18/588616118.db2.gz AUAKBFUTZOPXJL-SSDOTTSWSA-N 1 2 201.222 -0.203 20 0 BBADLO COC(=O)C[N@@H+](C)C[C@@H]1CCC(=O)O1 ZINC000851715672 588616341 /nfs/dbraw/zinc/61/63/41/588616341.db2.gz AUAKBFUTZOPXJL-ZETCQYMHSA-N 1 2 201.222 -0.203 20 0 BBADLO COC(=O)C[N@H+](C)C[C@@H]1CCC(=O)O1 ZINC000851715672 588616340 /nfs/dbraw/zinc/61/63/40/588616340.db2.gz AUAKBFUTZOPXJL-ZETCQYMHSA-N 1 2 201.222 -0.203 20 0 BBADLO CCn1ncc(C[NH+]2CCC(C(N)=O)CC2)n1 ZINC000851718425 588616734 /nfs/dbraw/zinc/61/67/34/588616734.db2.gz KCFLSJXLLIRSRL-UHFFFAOYSA-N 1 2 237.307 -0.005 20 0 BBADLO CNC(=O)C[N@@H+](C)C[C@H](O)c1ccccn1 ZINC000851726593 588618053 /nfs/dbraw/zinc/61/80/53/588618053.db2.gz UFAJEPFWQXEODY-JTQLQIEISA-N 1 2 223.276 -0.207 20 0 BBADLO CNC(=O)C[N@H+](C)C[C@H](O)c1ccccn1 ZINC000851726593 588618052 /nfs/dbraw/zinc/61/80/52/588618052.db2.gz UFAJEPFWQXEODY-JTQLQIEISA-N 1 2 223.276 -0.207 20 0 BBADLO CNC(=O)C[N@@H+](C)C[C@@H](O)c1ccccn1 ZINC000851726594 588618254 /nfs/dbraw/zinc/61/82/54/588618254.db2.gz UFAJEPFWQXEODY-SNVBAGLBSA-N 1 2 223.276 -0.207 20 0 BBADLO CNC(=O)C[N@H+](C)C[C@@H](O)c1ccccn1 ZINC000851726594 588618253 /nfs/dbraw/zinc/61/82/53/588618253.db2.gz UFAJEPFWQXEODY-SNVBAGLBSA-N 1 2 223.276 -0.207 20 0 BBADLO CNC(=O)C[N@@H+](C)Cc1cc(C)nn1C ZINC000851726762 588618015 /nfs/dbraw/zinc/61/80/15/588618015.db2.gz VVAJLBXULUYCSA-UHFFFAOYSA-N 1 2 210.281 -0.094 20 0 BBADLO CNC(=O)C[N@H+](C)Cc1cc(C)nn1C ZINC000851726762 588618014 /nfs/dbraw/zinc/61/80/14/588618014.db2.gz VVAJLBXULUYCSA-UHFFFAOYSA-N 1 2 210.281 -0.094 20 0 BBADLO COC(=O)N1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000851730260 588618950 /nfs/dbraw/zinc/61/89/50/588618950.db2.gz AKYUAQWIEVTZOC-UHFFFAOYSA-N 1 2 239.279 -0.269 20 0 BBADLO CC[N@@H+](CCc1cn[nH]n1)CC(=O)NC ZINC000851732794 588620086 /nfs/dbraw/zinc/62/00/86/588620086.db2.gz CNJCKWDPIVBKIS-UHFFFAOYSA-N 1 2 211.269 -0.585 20 0 BBADLO CC[N@H+](CCc1cn[nH]n1)CC(=O)NC ZINC000851732794 588620085 /nfs/dbraw/zinc/62/00/85/588620085.db2.gz CNJCKWDPIVBKIS-UHFFFAOYSA-N 1 2 211.269 -0.585 20 0 BBADLO CC[N@@H+](CCc1c[nH]nn1)CC(=O)NC ZINC000851732794 588620084 /nfs/dbraw/zinc/62/00/84/588620084.db2.gz CNJCKWDPIVBKIS-UHFFFAOYSA-N 1 2 211.269 -0.585 20 0 BBADLO CC[N@H+](CCc1c[nH]nn1)CC(=O)NC ZINC000851732794 588620083 /nfs/dbraw/zinc/62/00/83/588620083.db2.gz CNJCKWDPIVBKIS-UHFFFAOYSA-N 1 2 211.269 -0.585 20 0 BBADLO CCN(CC(=O)NC)Cc1cn(C)c[nH+]1 ZINC000851733241 588619885 /nfs/dbraw/zinc/61/98/85/588619885.db2.gz ORCVHTBTFOFIHN-UHFFFAOYSA-N 1 2 210.281 -0.012 20 0 BBADLO CCN1CC[C@@H]([N@@H+](CC)CC(=O)NC)C1=O ZINC000851734259 588619760 /nfs/dbraw/zinc/61/97/60/588619760.db2.gz POMCJNQGJVJSDM-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CCN1CC[C@@H]([N@H+](CC)CC(=O)NC)C1=O ZINC000851734259 588619759 /nfs/dbraw/zinc/61/97/59/588619759.db2.gz POMCJNQGJVJSDM-SECBINFHSA-N 1 2 227.308 -0.325 20 0 BBADLO CCN1CC[C@H]([N@@H+](CC)CC(=O)NC)C1=O ZINC000851734260 582965311 /nfs/dbraw/zinc/96/53/11/582965311.db2.gz POMCJNQGJVJSDM-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO CCN1CC[C@H]([N@H+](CC)CC(=O)NC)C1=O ZINC000851734260 582965308 /nfs/dbraw/zinc/96/53/08/582965308.db2.gz POMCJNQGJVJSDM-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO NC(=O)[C@@H]1C[N@@H+](CCOC(F)F)CCO1 ZINC000851741077 588621598 /nfs/dbraw/zinc/62/15/98/588621598.db2.gz DZZRRTOOWDFWAH-LURJTMIESA-N 1 2 224.207 -0.588 20 0 BBADLO NC(=O)[C@@H]1C[N@H+](CCOC(F)F)CCO1 ZINC000851741077 588621597 /nfs/dbraw/zinc/62/15/97/588621597.db2.gz DZZRRTOOWDFWAH-LURJTMIESA-N 1 2 224.207 -0.588 20 0 BBADLO NC(=O)[C@H]1C[N@@H+](CCOC(F)F)CCO1 ZINC000851741086 588621442 /nfs/dbraw/zinc/62/14/42/588621442.db2.gz DZZRRTOOWDFWAH-ZCFIWIBFSA-N 1 2 224.207 -0.588 20 0 BBADLO NC(=O)[C@H]1C[N@H+](CCOC(F)F)CCO1 ZINC000851741086 588621441 /nfs/dbraw/zinc/62/14/41/588621441.db2.gz DZZRRTOOWDFWAH-ZCFIWIBFSA-N 1 2 224.207 -0.588 20 0 BBADLO CC1(C)OC[C@@H](C[N@H+]2CCO[C@H](C(N)=O)C2)O1 ZINC000851742179 588621404 /nfs/dbraw/zinc/62/14/04/588621404.db2.gz QXBFZWFJDQVEJR-BDAKNGLRSA-N 1 2 244.291 -0.676 20 0 BBADLO CC1(C)OC[C@@H](C[N@@H+]2CCO[C@H](C(N)=O)C2)O1 ZINC000851742179 588621403 /nfs/dbraw/zinc/62/14/03/588621403.db2.gz QXBFZWFJDQVEJR-BDAKNGLRSA-N 1 2 244.291 -0.676 20 0 BBADLO CC1(C)OC[C@H](C[N@H+]2CCO[C@@H](C(N)=O)C2)O1 ZINC000851742183 588621303 /nfs/dbraw/zinc/62/13/03/588621303.db2.gz QXBFZWFJDQVEJR-DTWKUNHWSA-N 1 2 244.291 -0.676 20 0 BBADLO CC1(C)OC[C@H](C[N@@H+]2CCO[C@@H](C(N)=O)C2)O1 ZINC000851742183 588621302 /nfs/dbraw/zinc/62/13/02/588621302.db2.gz QXBFZWFJDQVEJR-DTWKUNHWSA-N 1 2 244.291 -0.676 20 0 BBADLO CC1(C)OC[C@H](C[N@H+]2CCO[C@H](C(N)=O)C2)O1 ZINC000851742184 582965172 /nfs/dbraw/zinc/96/51/72/582965172.db2.gz QXBFZWFJDQVEJR-IUCAKERBSA-N 1 2 244.291 -0.676 20 0 BBADLO CC1(C)OC[C@H](C[N@@H+]2CCO[C@H](C(N)=O)C2)O1 ZINC000851742184 582965170 /nfs/dbraw/zinc/96/51/70/582965170.db2.gz QXBFZWFJDQVEJR-IUCAKERBSA-N 1 2 244.291 -0.676 20 0 BBADLO CC1(C)OC[C@@H](C[N@H+]2CCO[C@@H](C(N)=O)C2)O1 ZINC000851742185 582965148 /nfs/dbraw/zinc/96/51/48/582965148.db2.gz QXBFZWFJDQVEJR-RKDXNWHRSA-N 1 2 244.291 -0.676 20 0 BBADLO CC1(C)OC[C@@H](C[N@@H+]2CCO[C@@H](C(N)=O)C2)O1 ZINC000851742185 582965144 /nfs/dbraw/zinc/96/51/44/582965144.db2.gz QXBFZWFJDQVEJR-RKDXNWHRSA-N 1 2 244.291 -0.676 20 0 BBADLO Cn1c[nH+]c(CN2CCCNC(=O)C2)c1 ZINC000851745759 588621911 /nfs/dbraw/zinc/62/19/11/588621911.db2.gz BHZDCORNMQKISG-UHFFFAOYSA-N 1 2 208.265 -0.258 20 0 BBADLO CCN1CC[C@@H]([N@H+]2CCCNC(=O)C2)C1=O ZINC000851746542 588622152 /nfs/dbraw/zinc/62/21/52/588622152.db2.gz ABLNVIVRVGYLJP-SECBINFHSA-N 1 2 225.292 -0.571 20 0 BBADLO CCN1CC[C@@H]([N@@H+]2CCCNC(=O)C2)C1=O ZINC000851746542 588622151 /nfs/dbraw/zinc/62/21/51/588622151.db2.gz ABLNVIVRVGYLJP-SECBINFHSA-N 1 2 225.292 -0.571 20 0 BBADLO CCN1CC[C@H]([N@H+]2CCCNC(=O)C2)C1=O ZINC000851746544 588622294 /nfs/dbraw/zinc/62/22/94/588622294.db2.gz ABLNVIVRVGYLJP-VIFPVBQESA-N 1 2 225.292 -0.571 20 0 BBADLO CCN1CC[C@H]([N@@H+]2CCCNC(=O)C2)C1=O ZINC000851746544 588622293 /nfs/dbraw/zinc/62/22/93/588622293.db2.gz ABLNVIVRVGYLJP-VIFPVBQESA-N 1 2 225.292 -0.571 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)c1ccccn1 ZINC000851746930 588622045 /nfs/dbraw/zinc/62/20/45/588622045.db2.gz CPZWTTFRKMFBSV-GXSJLCMTSA-N 1 2 235.287 -0.065 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)c1ccccn1 ZINC000851746930 588622044 /nfs/dbraw/zinc/62/20/44/588622044.db2.gz CPZWTTFRKMFBSV-GXSJLCMTSA-N 1 2 235.287 -0.065 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)c1ccccn1 ZINC000851746932 588622502 /nfs/dbraw/zinc/62/25/02/588622502.db2.gz CPZWTTFRKMFBSV-KOLCDFICSA-N 1 2 235.287 -0.065 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)c1ccccn1 ZINC000851746932 588622501 /nfs/dbraw/zinc/62/25/01/588622501.db2.gz CPZWTTFRKMFBSV-KOLCDFICSA-N 1 2 235.287 -0.065 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)c1ccccn1 ZINC000851746934 588622487 /nfs/dbraw/zinc/62/24/87/588622487.db2.gz CPZWTTFRKMFBSV-MWLCHTKSSA-N 1 2 235.287 -0.065 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)c1ccccn1 ZINC000851746934 588622486 /nfs/dbraw/zinc/62/24/86/588622486.db2.gz CPZWTTFRKMFBSV-MWLCHTKSSA-N 1 2 235.287 -0.065 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)c1ccccn1 ZINC000851746936 588622439 /nfs/dbraw/zinc/62/24/39/588622439.db2.gz CPZWTTFRKMFBSV-ONGXEEELSA-N 1 2 235.287 -0.065 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1C[C@H](O)c1ccccn1 ZINC000851746936 588622438 /nfs/dbraw/zinc/62/24/38/588622438.db2.gz CPZWTTFRKMFBSV-ONGXEEELSA-N 1 2 235.287 -0.065 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1COC(C)(C)O1 ZINC000851747380 588622114 /nfs/dbraw/zinc/62/21/14/588622114.db2.gz GFAFDAJDVWFUOJ-BDAKNGLRSA-N 1 2 228.292 -0.042 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@H]1COC(C)(C)O1 ZINC000851747380 588622113 /nfs/dbraw/zinc/62/21/13/588622113.db2.gz GFAFDAJDVWFUOJ-BDAKNGLRSA-N 1 2 228.292 -0.042 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1COC(C)(C)O1 ZINC000851747381 588622057 /nfs/dbraw/zinc/62/20/57/588622057.db2.gz GFAFDAJDVWFUOJ-DTWKUNHWSA-N 1 2 228.292 -0.042 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1C[C@@H]1COC(C)(C)O1 ZINC000851747381 588622056 /nfs/dbraw/zinc/62/20/56/588622056.db2.gz GFAFDAJDVWFUOJ-DTWKUNHWSA-N 1 2 228.292 -0.042 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@H]1COC(C)(C)O1 ZINC000851747382 588622146 /nfs/dbraw/zinc/62/21/46/588622146.db2.gz GFAFDAJDVWFUOJ-IUCAKERBSA-N 1 2 228.292 -0.042 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1C[C@H]1COC(C)(C)O1 ZINC000851747382 588622145 /nfs/dbraw/zinc/62/21/45/588622145.db2.gz GFAFDAJDVWFUOJ-IUCAKERBSA-N 1 2 228.292 -0.042 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1COC(C)(C)O1 ZINC000851747383 588622301 /nfs/dbraw/zinc/62/23/01/588622301.db2.gz GFAFDAJDVWFUOJ-RKDXNWHRSA-N 1 2 228.292 -0.042 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1COC(C)(C)O1 ZINC000851747383 588622300 /nfs/dbraw/zinc/62/23/00/588622300.db2.gz GFAFDAJDVWFUOJ-RKDXNWHRSA-N 1 2 228.292 -0.042 20 0 BBADLO O=C1C[N@@H+](C[C@@H](O)c2ccccn2)CCCN1 ZINC000851747413 588622287 /nfs/dbraw/zinc/62/22/87/588622287.db2.gz GTUJZGNENCGZBM-LLVKDONJSA-N 1 2 235.287 -0.063 20 0 BBADLO O=C1C[N@H+](C[C@@H](O)c2ccccn2)CCCN1 ZINC000851747413 588622286 /nfs/dbraw/zinc/62/22/86/588622286.db2.gz GTUJZGNENCGZBM-LLVKDONJSA-N 1 2 235.287 -0.063 20 0 BBADLO O=C1C[N@@H+](C[C@H](O)c2ccccn2)CCCN1 ZINC000851747414 588622189 /nfs/dbraw/zinc/62/21/89/588622189.db2.gz GTUJZGNENCGZBM-NSHDSACASA-N 1 2 235.287 -0.063 20 0 BBADLO O=C1C[N@H+](C[C@H](O)c2ccccn2)CCCN1 ZINC000851747414 588622188 /nfs/dbraw/zinc/62/21/88/588622188.db2.gz GTUJZGNENCGZBM-NSHDSACASA-N 1 2 235.287 -0.063 20 0 BBADLO O=C1C[N@@H+](CCc2cn[nH]n2)CCCN1 ZINC000851747510 588622091 /nfs/dbraw/zinc/62/20/91/588622091.db2.gz VIGJFWYEBXANLJ-UHFFFAOYSA-N 1 2 209.253 -0.831 20 0 BBADLO O=C1C[N@H+](CCc2cn[nH]n2)CCCN1 ZINC000851747510 588622090 /nfs/dbraw/zinc/62/20/90/588622090.db2.gz VIGJFWYEBXANLJ-UHFFFAOYSA-N 1 2 209.253 -0.831 20 0 BBADLO O=C1C[N@@H+](CCc2c[nH]nn2)CCCN1 ZINC000851747510 588622089 /nfs/dbraw/zinc/62/20/89/588622089.db2.gz VIGJFWYEBXANLJ-UHFFFAOYSA-N 1 2 209.253 -0.831 20 0 BBADLO O=C1C[N@H+](CCc2c[nH]nn2)CCCN1 ZINC000851747510 588622088 /nfs/dbraw/zinc/62/20/88/588622088.db2.gz VIGJFWYEBXANLJ-UHFFFAOYSA-N 1 2 209.253 -0.831 20 0 BBADLO COCC[N@@H+](CCO)Cc1cnon1 ZINC000851747688 582965793 /nfs/dbraw/zinc/96/57/93/582965793.db2.gz JEUPOSLJEOOZNN-UHFFFAOYSA-N 1 2 201.226 -0.490 20 0 BBADLO COCC[N@H+](CCO)Cc1cnon1 ZINC000851747688 582965791 /nfs/dbraw/zinc/96/57/91/582965791.db2.gz JEUPOSLJEOOZNN-UHFFFAOYSA-N 1 2 201.226 -0.490 20 0 BBADLO CCn1ncc(C[N@@H+](CCO)CCOC)n1 ZINC000851748596 588622951 /nfs/dbraw/zinc/62/29/51/588622951.db2.gz TWIWHGMBYMDKLY-UHFFFAOYSA-N 1 2 228.296 -0.261 20 0 BBADLO CCn1ncc(C[N@H+](CCO)CCOC)n1 ZINC000851748596 588622950 /nfs/dbraw/zinc/62/29/50/588622950.db2.gz TWIWHGMBYMDKLY-UHFFFAOYSA-N 1 2 228.296 -0.261 20 0 BBADLO CCn1ncc(C[N@@H+](C)CCC(=O)NC)n1 ZINC000851749533 588622605 /nfs/dbraw/zinc/62/26/05/588622605.db2.gz ZWGGSTHUKRGRKY-UHFFFAOYSA-N 1 2 225.296 -0.134 20 0 BBADLO CCn1ncc(C[N@H+](C)CCC(=O)NC)n1 ZINC000851749533 588622604 /nfs/dbraw/zinc/62/26/04/588622604.db2.gz ZWGGSTHUKRGRKY-UHFFFAOYSA-N 1 2 225.296 -0.134 20 0 BBADLO COC[C@@H](C[N@@H+](C)CCS(C)(=O)=O)OC ZINC000851749942 588623335 /nfs/dbraw/zinc/62/33/35/588623335.db2.gz RQGLHOHEUAOFSB-SECBINFHSA-N 1 2 239.337 -0.376 20 0 BBADLO COC[C@@H](C[N@H+](C)CCS(C)(=O)=O)OC ZINC000851749942 588623334 /nfs/dbraw/zinc/62/33/34/588623334.db2.gz RQGLHOHEUAOFSB-SECBINFHSA-N 1 2 239.337 -0.376 20 0 BBADLO COC[C@H](C[N@@H+](C)CCS(C)(=O)=O)OC ZINC000851749943 588623371 /nfs/dbraw/zinc/62/33/71/588623371.db2.gz RQGLHOHEUAOFSB-VIFPVBQESA-N 1 2 239.337 -0.376 20 0 BBADLO COC[C@H](C[N@H+](C)CCS(C)(=O)=O)OC ZINC000851749943 588623370 /nfs/dbraw/zinc/62/33/70/588623370.db2.gz RQGLHOHEUAOFSB-VIFPVBQESA-N 1 2 239.337 -0.376 20 0 BBADLO CC[N@@H+](CCc1cn[nH]n1)CC(=O)OC ZINC000851750194 588622988 /nfs/dbraw/zinc/62/29/88/588622988.db2.gz ZTXAHNMDMZHERY-UHFFFAOYSA-N 1 2 212.253 -0.158 20 0 BBADLO CC[N@H+](CCc1cn[nH]n1)CC(=O)OC ZINC000851750194 588622987 /nfs/dbraw/zinc/62/29/87/588622987.db2.gz ZTXAHNMDMZHERY-UHFFFAOYSA-N 1 2 212.253 -0.158 20 0 BBADLO CCn1ncc(C[NH+](CCO)CCO)n1 ZINC000851751130 588623035 /nfs/dbraw/zinc/62/30/35/588623035.db2.gz KBYHCYDBJTWJNM-UHFFFAOYSA-N 1 2 214.269 -0.915 20 0 BBADLO CN(CC[NH+]1CCOCC1)Cc1cnon1 ZINC000851751948 588623449 /nfs/dbraw/zinc/62/34/49/588623449.db2.gz ZKHIALZWDJOTCT-UHFFFAOYSA-N 1 2 226.280 -0.166 20 0 BBADLO OCCC[N@@H+](CCO)Cc1cnon1 ZINC000851766626 588624846 /nfs/dbraw/zinc/62/48/46/588624846.db2.gz INAHVTGKUNQCQO-UHFFFAOYSA-N 1 2 201.226 -0.754 20 0 BBADLO OCCC[N@H+](CCO)Cc1cnon1 ZINC000851766626 588624845 /nfs/dbraw/zinc/62/48/45/588624845.db2.gz INAHVTGKUNQCQO-UHFFFAOYSA-N 1 2 201.226 -0.754 20 0 BBADLO CCn1ncc(C[N@@H+](CCO)CCCO)n1 ZINC000851766914 588624889 /nfs/dbraw/zinc/62/48/89/588624889.db2.gz QKYJNUBWQCCRRE-UHFFFAOYSA-N 1 2 228.296 -0.525 20 0 BBADLO CCn1ncc(C[N@H+](CCO)CCCO)n1 ZINC000851766914 588624888 /nfs/dbraw/zinc/62/48/88/588624888.db2.gz QKYJNUBWQCCRRE-UHFFFAOYSA-N 1 2 228.296 -0.525 20 0 BBADLO CC[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CCC(=O)O1 ZINC000851780663 588627420 /nfs/dbraw/zinc/62/74/20/588627420.db2.gz YWTYNWKYGDGHTG-BDAKNGLRSA-N 1 2 226.276 -0.098 20 0 BBADLO CC[C@H]1C(=O)NCC[N@H+]1C[C@H]1CCC(=O)O1 ZINC000851780663 588627419 /nfs/dbraw/zinc/62/74/19/588627419.db2.gz YWTYNWKYGDGHTG-BDAKNGLRSA-N 1 2 226.276 -0.098 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC(=O)O1 ZINC000851780664 588627342 /nfs/dbraw/zinc/62/73/42/588627342.db2.gz YWTYNWKYGDGHTG-DTWKUNHWSA-N 1 2 226.276 -0.098 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC(=O)O1 ZINC000851780664 588627341 /nfs/dbraw/zinc/62/73/41/588627341.db2.gz YWTYNWKYGDGHTG-DTWKUNHWSA-N 1 2 226.276 -0.098 20 0 BBADLO CC[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC(=O)O1 ZINC000851780665 588627609 /nfs/dbraw/zinc/62/76/09/588627609.db2.gz YWTYNWKYGDGHTG-IUCAKERBSA-N 1 2 226.276 -0.098 20 0 BBADLO CC[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC(=O)O1 ZINC000851780665 588627608 /nfs/dbraw/zinc/62/76/08/588627608.db2.gz YWTYNWKYGDGHTG-IUCAKERBSA-N 1 2 226.276 -0.098 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CCC(=O)O1 ZINC000851780666 588627537 /nfs/dbraw/zinc/62/75/37/588627537.db2.gz YWTYNWKYGDGHTG-RKDXNWHRSA-N 1 2 226.276 -0.098 20 0 BBADLO CC[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CCC(=O)O1 ZINC000851780666 588627536 /nfs/dbraw/zinc/62/75/36/588627536.db2.gz YWTYNWKYGDGHTG-RKDXNWHRSA-N 1 2 226.276 -0.098 20 0 BBADLO CN1CC[N@@H+](C[C@@H]2COC(C)(C)O2)CC1=O ZINC000851782845 588627912 /nfs/dbraw/zinc/62/79/12/588627912.db2.gz XNEVQUHMGSOOQG-SECBINFHSA-N 1 2 228.292 -0.088 20 0 BBADLO CN1CC[N@H+](C[C@@H]2COC(C)(C)O2)CC1=O ZINC000851782845 588627911 /nfs/dbraw/zinc/62/79/11/588627911.db2.gz XNEVQUHMGSOOQG-SECBINFHSA-N 1 2 228.292 -0.088 20 0 BBADLO CN1CC[N@@H+](C[C@H]2COC(C)(C)O2)CC1=O ZINC000851782846 588628053 /nfs/dbraw/zinc/62/80/53/588628053.db2.gz XNEVQUHMGSOOQG-VIFPVBQESA-N 1 2 228.292 -0.088 20 0 BBADLO CN1CC[N@H+](C[C@H]2COC(C)(C)O2)CC1=O ZINC000851782846 588628052 /nfs/dbraw/zinc/62/80/52/588628052.db2.gz XNEVQUHMGSOOQG-VIFPVBQESA-N 1 2 228.292 -0.088 20 0 BBADLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1cnon1 ZINC000851796843 588629865 /nfs/dbraw/zinc/62/98/65/588629865.db2.gz LLIVERGRTKRJTQ-BDAKNGLRSA-N 1 2 222.248 -0.078 20 0 BBADLO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1cnon1 ZINC000851796843 588629864 /nfs/dbraw/zinc/62/98/64/588629864.db2.gz LLIVERGRTKRJTQ-BDAKNGLRSA-N 1 2 222.248 -0.078 20 0 BBADLO O[C@@H]1C[N@H+](Cc2cccc(F)n2)C[C@@H]1O ZINC000851798053 588629811 /nfs/dbraw/zinc/62/98/11/588629811.db2.gz IUSKMXPNLJGCRW-DTORHVGOSA-N 1 2 212.224 -0.242 20 0 BBADLO O[C@@H]1C[N@@H+](Cc2cccc(F)n2)C[C@@H]1O ZINC000851798053 588629810 /nfs/dbraw/zinc/62/98/10/588629810.db2.gz IUSKMXPNLJGCRW-DTORHVGOSA-N 1 2 212.224 -0.242 20 0 BBADLO CO[C@@H]1CC[N@H+]([C@@H]2CS(=O)(=O)C[C@@H]2OC)C1 ZINC000851800784 588630754 /nfs/dbraw/zinc/63/07/54/588630754.db2.gz QYRRYDUBVUJHFI-BBBLOLIVSA-N 1 2 249.332 -0.481 20 0 BBADLO CO[C@@H]1CC[N@@H+]([C@@H]2CS(=O)(=O)C[C@@H]2OC)C1 ZINC000851800784 588630753 /nfs/dbraw/zinc/63/07/53/588630753.db2.gz QYRRYDUBVUJHFI-BBBLOLIVSA-N 1 2 249.332 -0.481 20 0 BBADLO O=C1CC[C@@H](C[N@H+]2CCN(C3CC3)C(=O)C2)O1 ZINC000851800831 588630701 /nfs/dbraw/zinc/63/07/01/588630701.db2.gz SHLMCYMSXFTGEL-JTQLQIEISA-N 1 2 238.287 -0.001 20 0 BBADLO O=C1CC[C@@H](C[N@@H+]2CCN(C3CC3)C(=O)C2)O1 ZINC000851800831 588630700 /nfs/dbraw/zinc/63/07/00/588630700.db2.gz SHLMCYMSXFTGEL-JTQLQIEISA-N 1 2 238.287 -0.001 20 0 BBADLO O=C1CC[C@H](C[N@H+]2CCN(C3CC3)C(=O)C2)O1 ZINC000851800832 588630953 /nfs/dbraw/zinc/63/09/53/588630953.db2.gz SHLMCYMSXFTGEL-SNVBAGLBSA-N 1 2 238.287 -0.001 20 0 BBADLO O=C1CC[C@H](C[N@@H+]2CCN(C3CC3)C(=O)C2)O1 ZINC000851800832 588630952 /nfs/dbraw/zinc/63/09/52/588630952.db2.gz SHLMCYMSXFTGEL-SNVBAGLBSA-N 1 2 238.287 -0.001 20 0 BBADLO CCN1OC[C@H]([N@H+]2CC[C@@H](OC)C2)C1=O ZINC000851800931 588630785 /nfs/dbraw/zinc/63/07/85/588630785.db2.gz WDXWTPZFFMQGMH-BDAKNGLRSA-N 1 2 214.265 -0.131 20 0 BBADLO CCN1OC[C@H]([N@@H+]2CC[C@@H](OC)C2)C1=O ZINC000851800931 588630784 /nfs/dbraw/zinc/63/07/84/588630784.db2.gz WDXWTPZFFMQGMH-BDAKNGLRSA-N 1 2 214.265 -0.131 20 0 BBADLO CCN1OC[C@@H]([N@H+]2CC[C@@H](OC)C2)C1=O ZINC000851800932 588630950 /nfs/dbraw/zinc/63/09/50/588630950.db2.gz WDXWTPZFFMQGMH-RKDXNWHRSA-N 1 2 214.265 -0.131 20 0 BBADLO CCN1OC[C@@H]([N@@H+]2CC[C@@H](OC)C2)C1=O ZINC000851800932 588630949 /nfs/dbraw/zinc/63/09/49/588630949.db2.gz WDXWTPZFFMQGMH-RKDXNWHRSA-N 1 2 214.265 -0.131 20 0 BBADLO CC1(C)OC[C@H](C[N@H+]2CCO[C@H](CO)C2)O1 ZINC000851801994 582967955 /nfs/dbraw/zinc/96/79/55/582967955.db2.gz AASWCJNTWQIICR-UWVGGRQHSA-N 1 2 231.292 -0.169 20 0 BBADLO CC1(C)OC[C@H](C[N@@H+]2CCO[C@H](CO)C2)O1 ZINC000851801994 582967954 /nfs/dbraw/zinc/96/79/54/582967954.db2.gz AASWCJNTWQIICR-UWVGGRQHSA-N 1 2 231.292 -0.169 20 0 BBADLO CC1(C)OC[C@H](C[N@H+]2CCO[C@@H](CO)C2)O1 ZINC000851801999 582967943 /nfs/dbraw/zinc/96/79/43/582967943.db2.gz AASWCJNTWQIICR-ZJUUUORDSA-N 1 2 231.292 -0.169 20 0 BBADLO CC1(C)OC[C@H](C[N@@H+]2CCO[C@@H](CO)C2)O1 ZINC000851801999 582967942 /nfs/dbraw/zinc/96/79/42/582967942.db2.gz AASWCJNTWQIICR-ZJUUUORDSA-N 1 2 231.292 -0.169 20 0 BBADLO O=C1NC[C@@H]2C[N@@H+](CCOC(F)F)CCN12 ZINC000851803734 588631031 /nfs/dbraw/zinc/63/10/31/588631031.db2.gz WXYJDALUDPCXGD-SSDOTTSWSA-N 1 2 235.234 -0.065 20 0 BBADLO O=C1NC[C@@H]2C[N@H+](CCOC(F)F)CCN12 ZINC000851803734 588631030 /nfs/dbraw/zinc/63/10/30/588631030.db2.gz WXYJDALUDPCXGD-SSDOTTSWSA-N 1 2 235.234 -0.065 20 0 BBADLO O=C1NC[C@H]2C[N@@H+](CCOC(F)F)CCN12 ZINC000851803735 588631143 /nfs/dbraw/zinc/63/11/43/588631143.db2.gz WXYJDALUDPCXGD-ZETCQYMHSA-N 1 2 235.234 -0.065 20 0 BBADLO O=C1NC[C@H]2C[N@H+](CCOC(F)F)CCN12 ZINC000851803735 588631142 /nfs/dbraw/zinc/63/11/42/588631142.db2.gz WXYJDALUDPCXGD-ZETCQYMHSA-N 1 2 235.234 -0.065 20 0 BBADLO COC[C@@](C)(CCO)[NH2+]Cc1cnon1 ZINC000851808395 588631519 /nfs/dbraw/zinc/63/15/19/588631519.db2.gz NNNWUNJSTJPNOY-SECBINFHSA-N 1 2 215.253 -0.053 20 0 BBADLO COC[C@](C)(CCO)[NH2+]Cc1cnon1 ZINC000851808396 588631725 /nfs/dbraw/zinc/63/17/25/588631725.db2.gz NNNWUNJSTJPNOY-VIFPVBQESA-N 1 2 215.253 -0.053 20 0 BBADLO O=C1OC[C@H]2C[N@@H+](CCc3cn[nH]n3)CCN12 ZINC000851812692 588632607 /nfs/dbraw/zinc/63/26/07/588632607.db2.gz LKIRVORTUWWBNX-SECBINFHSA-N 1 2 237.263 -0.516 20 0 BBADLO O=C1OC[C@H]2C[N@H+](CCc3cn[nH]n3)CCN12 ZINC000851812692 588632606 /nfs/dbraw/zinc/63/26/06/588632606.db2.gz LKIRVORTUWWBNX-SECBINFHSA-N 1 2 237.263 -0.516 20 0 BBADLO O=C1OC[C@H]2C[N@@H+](CCc3c[nH]nn3)CCN12 ZINC000851812692 588632605 /nfs/dbraw/zinc/63/26/05/588632605.db2.gz LKIRVORTUWWBNX-SECBINFHSA-N 1 2 237.263 -0.516 20 0 BBADLO O=C1OC[C@H]2C[N@H+](CCc3c[nH]nn3)CCN12 ZINC000851812692 588632604 /nfs/dbraw/zinc/63/26/04/588632604.db2.gz LKIRVORTUWWBNX-SECBINFHSA-N 1 2 237.263 -0.516 20 0 BBADLO O=C1OC[C@@H]2C[N@@H+](CCc3cn[nH]n3)CCN12 ZINC000851812693 588632549 /nfs/dbraw/zinc/63/25/49/588632549.db2.gz LKIRVORTUWWBNX-VIFPVBQESA-N 1 2 237.263 -0.516 20 0 BBADLO O=C1OC[C@@H]2C[N@H+](CCc3cn[nH]n3)CCN12 ZINC000851812693 588632548 /nfs/dbraw/zinc/63/25/48/588632548.db2.gz LKIRVORTUWWBNX-VIFPVBQESA-N 1 2 237.263 -0.516 20 0 BBADLO O=C1OC[C@@H]2C[N@@H+](CCc3c[nH]nn3)CCN12 ZINC000851812693 588632547 /nfs/dbraw/zinc/63/25/47/588632547.db2.gz LKIRVORTUWWBNX-VIFPVBQESA-N 1 2 237.263 -0.516 20 0 BBADLO O=C1OC[C@@H]2C[N@H+](CCc3c[nH]nn3)CCN12 ZINC000851812693 588632546 /nfs/dbraw/zinc/63/25/46/588632546.db2.gz LKIRVORTUWWBNX-VIFPVBQESA-N 1 2 237.263 -0.516 20 0 BBADLO C[N@@H+](Cc1cnon1)CC(C)(CO)CO ZINC000851818908 588632959 /nfs/dbraw/zinc/63/29/59/588632959.db2.gz MHCDGNLCDMWFRC-UHFFFAOYSA-N 1 2 215.253 -0.508 20 0 BBADLO C[N@H+](Cc1cnon1)CC(C)(CO)CO ZINC000851818908 588632958 /nfs/dbraw/zinc/63/29/58/588632958.db2.gz MHCDGNLCDMWFRC-UHFFFAOYSA-N 1 2 215.253 -0.508 20 0 BBADLO CCn1ncc(C[N@@H+](C)CC(C)(CO)CO)n1 ZINC000851819642 588633601 /nfs/dbraw/zinc/63/36/01/588633601.db2.gz XGBBLJHBUGZUFH-UHFFFAOYSA-N 1 2 242.323 -0.279 20 0 BBADLO CCn1ncc(C[N@H+](C)CC(C)(CO)CO)n1 ZINC000851819642 588633600 /nfs/dbraw/zinc/63/36/00/588633600.db2.gz XGBBLJHBUGZUFH-UHFFFAOYSA-N 1 2 242.323 -0.279 20 0 BBADLO COC(=O)[C@@H]1COCCN1Cc1cn(C)c[nH+]1 ZINC000851851393 588635213 /nfs/dbraw/zinc/63/52/13/588635213.db2.gz NGFDQEBDAUNJOT-JTQLQIEISA-N 1 2 239.275 -0.206 20 0 BBADLO COC(=O)[C@H]1COCCN1Cc1cn(C)c[nH+]1 ZINC000851851394 588635033 /nfs/dbraw/zinc/63/50/33/588635033.db2.gz NGFDQEBDAUNJOT-SNVBAGLBSA-N 1 2 239.275 -0.206 20 0 BBADLO CNC(=O)N1CC[NH+](C[C@H]2CCC(=O)O2)CC1 ZINC000851851807 588635010 /nfs/dbraw/zinc/63/50/10/588635010.db2.gz UMBHZGJGTODLOZ-SECBINFHSA-N 1 2 241.291 -0.351 20 0 BBADLO CNC(=O)N1CC[NH+](C[C@@H]2CCC(=O)O2)CC1 ZINC000851851808 588635144 /nfs/dbraw/zinc/63/51/44/588635144.db2.gz UMBHZGJGTODLOZ-VIFPVBQESA-N 1 2 241.291 -0.351 20 0 BBADLO CC[N@@H+](CCc1c[nH]nn1)CCS(C)(=O)=O ZINC000851867168 588636761 /nfs/dbraw/zinc/63/67/61/588636761.db2.gz ZPAJXBCFGMCWTG-UHFFFAOYSA-N 1 2 246.336 -0.286 20 0 BBADLO CC[N@H+](CCc1c[nH]nn1)CCS(C)(=O)=O ZINC000851867168 588636760 /nfs/dbraw/zinc/63/67/60/588636760.db2.gz ZPAJXBCFGMCWTG-UHFFFAOYSA-N 1 2 246.336 -0.286 20 0 BBADLO CC[N@@H+](CCc1cn[nH]n1)CCS(C)(=O)=O ZINC000851867168 588636759 /nfs/dbraw/zinc/63/67/59/588636759.db2.gz ZPAJXBCFGMCWTG-UHFFFAOYSA-N 1 2 246.336 -0.286 20 0 BBADLO CC[N@H+](CCc1cn[nH]n1)CCS(C)(=O)=O ZINC000851867168 588636758 /nfs/dbraw/zinc/63/67/58/588636758.db2.gz ZPAJXBCFGMCWTG-UHFFFAOYSA-N 1 2 246.336 -0.286 20 0 BBADLO O=C(CO)N1CC[NH+](CCOC(F)F)CC1 ZINC000851870066 588637413 /nfs/dbraw/zinc/63/74/13/588637413.db2.gz ZFKBTDDUVDDURU-UHFFFAOYSA-N 1 2 238.234 -0.638 20 0 BBADLO CCS(=O)(=O)CC[N@@H+](C)CCc1cn[nH]n1 ZINC000851871622 588637159 /nfs/dbraw/zinc/63/71/59/588637159.db2.gz SVNZUDFLXAYDQU-UHFFFAOYSA-N 1 2 246.336 -0.286 20 0 BBADLO CCS(=O)(=O)CC[N@H+](C)CCc1cn[nH]n1 ZINC000851871622 588637158 /nfs/dbraw/zinc/63/71/58/588637158.db2.gz SVNZUDFLXAYDQU-UHFFFAOYSA-N 1 2 246.336 -0.286 20 0 BBADLO CON(C)C(=O)CN(C)Cc1[nH]cc[nH+]1 ZINC000851873963 588637930 /nfs/dbraw/zinc/63/79/30/588637930.db2.gz WAKLAXDGXGXSNA-UHFFFAOYSA-N 1 2 212.253 -0.139 20 0 BBADLO CN(Cc1[nH]cc[nH+]1)[C@@H]1CCC(=O)NC1=O ZINC000851874080 588638326 /nfs/dbraw/zinc/63/83/26/588638326.db2.gz ZYBJJPHFTDCJOF-SSDOTTSWSA-N 1 2 222.248 -0.353 20 0 BBADLO CN(Cc1[nH]cc[nH+]1)[C@H]1CCC(=O)NC1=O ZINC000851874081 588638367 /nfs/dbraw/zinc/63/83/67/588638367.db2.gz ZYBJJPHFTDCJOF-ZETCQYMHSA-N 1 2 222.248 -0.353 20 0 BBADLO OCC[C@H]1COCC[N@H+]1CCc1cn[nH]n1 ZINC000851878250 588639197 /nfs/dbraw/zinc/63/91/97/588639197.db2.gz HUPJPJASZKYSSP-JTQLQIEISA-N 1 2 226.280 -0.570 20 0 BBADLO OCC[C@H]1COCC[N@@H+]1CCc1cn[nH]n1 ZINC000851878250 588639196 /nfs/dbraw/zinc/63/91/96/588639196.db2.gz HUPJPJASZKYSSP-JTQLQIEISA-N 1 2 226.280 -0.570 20 0 BBADLO OCC[C@H]1COCC[N@H+]1CCc1c[nH]nn1 ZINC000851878250 588639195 /nfs/dbraw/zinc/63/91/95/588639195.db2.gz HUPJPJASZKYSSP-JTQLQIEISA-N 1 2 226.280 -0.570 20 0 BBADLO OCC[C@H]1COCC[N@@H+]1CCc1c[nH]nn1 ZINC000851878250 588639194 /nfs/dbraw/zinc/63/91/94/588639194.db2.gz HUPJPJASZKYSSP-JTQLQIEISA-N 1 2 226.280 -0.570 20 0 BBADLO OCC[C@@H]1COCC[N@H+]1CCc1cn[nH]n1 ZINC000851878251 588639060 /nfs/dbraw/zinc/63/90/60/588639060.db2.gz HUPJPJASZKYSSP-SNVBAGLBSA-N 1 2 226.280 -0.570 20 0 BBADLO OCC[C@@H]1COCC[N@@H+]1CCc1cn[nH]n1 ZINC000851878251 588639059 /nfs/dbraw/zinc/63/90/59/588639059.db2.gz HUPJPJASZKYSSP-SNVBAGLBSA-N 1 2 226.280 -0.570 20 0 BBADLO OCC[C@@H]1COCC[N@H+]1CCc1c[nH]nn1 ZINC000851878251 588639058 /nfs/dbraw/zinc/63/90/58/588639058.db2.gz HUPJPJASZKYSSP-SNVBAGLBSA-N 1 2 226.280 -0.570 20 0 BBADLO OCC[C@@H]1COCC[N@@H+]1CCc1c[nH]nn1 ZINC000851878251 588639057 /nfs/dbraw/zinc/63/90/57/588639057.db2.gz HUPJPJASZKYSSP-SNVBAGLBSA-N 1 2 226.280 -0.570 20 0 BBADLO CCn1ncc(C[N@H+]2C[C@@H](O)C[C@H]2CO)n1 ZINC000851880706 588639366 /nfs/dbraw/zinc/63/93/66/588639366.db2.gz SSOAPNAWQRKSDF-UWVGGRQHSA-N 1 2 226.280 -0.775 20 0 BBADLO CCn1ncc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)n1 ZINC000851880706 588639365 /nfs/dbraw/zinc/63/93/65/588639365.db2.gz SSOAPNAWQRKSDF-UWVGGRQHSA-N 1 2 226.280 -0.775 20 0 BBADLO CCn1ncc(C[N@H+]2C[C@H](O)C[C@H]2CO)n1 ZINC000851880707 588639263 /nfs/dbraw/zinc/63/92/63/588639263.db2.gz SSOAPNAWQRKSDF-VHSXEESVSA-N 1 2 226.280 -0.775 20 0 BBADLO CCn1ncc(C[N@@H+]2C[C@H](O)C[C@H]2CO)n1 ZINC000851880707 588639262 /nfs/dbraw/zinc/63/92/62/588639262.db2.gz SSOAPNAWQRKSDF-VHSXEESVSA-N 1 2 226.280 -0.775 20 0 BBADLO O=C1NC(=O)N2CC[N@H+](CCOC(F)F)C[C@@H]12 ZINC000851881782 588639375 /nfs/dbraw/zinc/63/93/75/588639375.db2.gz PPJYPVOONNEMQI-LURJTMIESA-N 1 2 249.217 -0.538 20 0 BBADLO O=C1NC(=O)N2CC[N@@H+](CCOC(F)F)C[C@@H]12 ZINC000851881782 588639374 /nfs/dbraw/zinc/63/93/74/588639374.db2.gz PPJYPVOONNEMQI-LURJTMIESA-N 1 2 249.217 -0.538 20 0 BBADLO O=C1NC(=O)N2CC[N@H+](CCOC(F)F)C[C@H]12 ZINC000851881789 588639289 /nfs/dbraw/zinc/63/92/89/588639289.db2.gz PPJYPVOONNEMQI-ZCFIWIBFSA-N 1 2 249.217 -0.538 20 0 BBADLO O=C1NC(=O)N2CC[N@@H+](CCOC(F)F)C[C@H]12 ZINC000851881789 588639288 /nfs/dbraw/zinc/63/92/88/588639288.db2.gz PPJYPVOONNEMQI-ZCFIWIBFSA-N 1 2 249.217 -0.538 20 0 BBADLO CCn1ncc(C[N@H+]2CC[C@@H](NC(N)=O)C2)n1 ZINC000851882066 588639623 /nfs/dbraw/zinc/63/96/23/588639623.db2.gz UFGIQYAVXNUTKD-MRVPVSSYSA-N 1 2 238.295 -0.459 20 0 BBADLO CCn1ncc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)n1 ZINC000851882066 588639622 /nfs/dbraw/zinc/63/96/22/588639622.db2.gz UFGIQYAVXNUTKD-MRVPVSSYSA-N 1 2 238.295 -0.459 20 0 BBADLO CCn1ncc(C[N@H+]2CC[C@H](NC(N)=O)C2)n1 ZINC000851882068 588639616 /nfs/dbraw/zinc/63/96/16/588639616.db2.gz UFGIQYAVXNUTKD-QMMMGPOBSA-N 1 2 238.295 -0.459 20 0 BBADLO CCn1ncc(C[N@@H+]2CC[C@H](NC(N)=O)C2)n1 ZINC000851882068 588639615 /nfs/dbraw/zinc/63/96/15/588639615.db2.gz UFGIQYAVXNUTKD-QMMMGPOBSA-N 1 2 238.295 -0.459 20 0 BBADLO NC(=O)[C@H]1CSCC[N@H+]1C[C@H]1CCC(=O)O1 ZINC000851884941 588640067 /nfs/dbraw/zinc/64/00/67/588640067.db2.gz WIOZHQQTXDEMQH-HTQZYQBOSA-N 1 2 244.316 -0.405 20 0 BBADLO NC(=O)[C@H]1CSCC[N@@H+]1C[C@H]1CCC(=O)O1 ZINC000851884941 588640066 /nfs/dbraw/zinc/64/00/66/588640066.db2.gz WIOZHQQTXDEMQH-HTQZYQBOSA-N 1 2 244.316 -0.405 20 0 BBADLO NC(=O)[C@H]1CSCC[N@H+]1C[C@@H]1CCC(=O)O1 ZINC000851884942 588639809 /nfs/dbraw/zinc/63/98/09/588639809.db2.gz WIOZHQQTXDEMQH-JGVFFNPUSA-N 1 2 244.316 -0.405 20 0 BBADLO NC(=O)[C@H]1CSCC[N@@H+]1C[C@@H]1CCC(=O)O1 ZINC000851884942 588639808 /nfs/dbraw/zinc/63/98/08/588639808.db2.gz WIOZHQQTXDEMQH-JGVFFNPUSA-N 1 2 244.316 -0.405 20 0 BBADLO NC(=O)[C@@H]1CSCC[N@H+]1C[C@H]1CCC(=O)O1 ZINC000851884943 588639858 /nfs/dbraw/zinc/63/98/58/588639858.db2.gz WIOZHQQTXDEMQH-SFYZADRCSA-N 1 2 244.316 -0.405 20 0 BBADLO NC(=O)[C@@H]1CSCC[N@@H+]1C[C@H]1CCC(=O)O1 ZINC000851884943 588639857 /nfs/dbraw/zinc/63/98/57/588639857.db2.gz WIOZHQQTXDEMQH-SFYZADRCSA-N 1 2 244.316 -0.405 20 0 BBADLO NC(=O)[C@@H]1CSCC[N@H+]1C[C@@H]1CCC(=O)O1 ZINC000851884944 582976166 /nfs/dbraw/zinc/97/61/66/582976166.db2.gz WIOZHQQTXDEMQH-YUMQZZPRSA-N 1 2 244.316 -0.405 20 0 BBADLO NC(=O)[C@@H]1CSCC[N@@H+]1C[C@@H]1CCC(=O)O1 ZINC000851884944 582976165 /nfs/dbraw/zinc/97/61/65/582976165.db2.gz WIOZHQQTXDEMQH-YUMQZZPRSA-N 1 2 244.316 -0.405 20 0 BBADLO CNC(=O)[C@@H]([NH2+]Cc1cnon1)C(C)C ZINC000851902552 588642020 /nfs/dbraw/zinc/64/20/20/588642020.db2.gz NXCMULKALZPZKR-QMMMGPOBSA-N 1 2 212.253 -0.070 20 0 BBADLO C[N@@H+](Cc1cnon1)[C@@]1(CO)CCOC1 ZINC000851917515 588643276 /nfs/dbraw/zinc/64/32/76/588643276.db2.gz GLLGECDOZVDUAM-SECBINFHSA-N 1 2 213.237 -0.347 20 0 BBADLO C[N@H+](Cc1cnon1)[C@@]1(CO)CCOC1 ZINC000851917515 588643275 /nfs/dbraw/zinc/64/32/75/588643275.db2.gz GLLGECDOZVDUAM-SECBINFHSA-N 1 2 213.237 -0.347 20 0 BBADLO C[N@@H+](Cc1cnon1)[C@]1(CO)CCOC1 ZINC000851917516 588643319 /nfs/dbraw/zinc/64/33/19/588643319.db2.gz GLLGECDOZVDUAM-VIFPVBQESA-N 1 2 213.237 -0.347 20 0 BBADLO C[N@H+](Cc1cnon1)[C@]1(CO)CCOC1 ZINC000851917516 588643318 /nfs/dbraw/zinc/64/33/18/588643318.db2.gz GLLGECDOZVDUAM-VIFPVBQESA-N 1 2 213.237 -0.347 20 0 BBADLO CCn1ncc(C[N@@H+](C)[C@@]2(CO)CCOC2)n1 ZINC000851918171 588643158 /nfs/dbraw/zinc/64/31/58/588643158.db2.gz XITOWYJIIAMYED-LLVKDONJSA-N 1 2 240.307 -0.119 20 0 BBADLO CCn1ncc(C[N@H+](C)[C@@]2(CO)CCOC2)n1 ZINC000851918171 588643157 /nfs/dbraw/zinc/64/31/57/588643157.db2.gz XITOWYJIIAMYED-LLVKDONJSA-N 1 2 240.307 -0.119 20 0 BBADLO CCn1ncc(C[N@@H+](C)[C@]2(CO)CCOC2)n1 ZINC000851918172 588643134 /nfs/dbraw/zinc/64/31/34/588643134.db2.gz XITOWYJIIAMYED-NSHDSACASA-N 1 2 240.307 -0.119 20 0 BBADLO CCn1ncc(C[N@H+](C)[C@]2(CO)CCOC2)n1 ZINC000851918172 588643133 /nfs/dbraw/zinc/64/31/33/588643133.db2.gz XITOWYJIIAMYED-NSHDSACASA-N 1 2 240.307 -0.119 20 0 BBADLO COC(C[N@@H+](CCCO)Cc1cnon1)OC ZINC000851918175 588643219 /nfs/dbraw/zinc/64/32/19/588643219.db2.gz XOSASKOQUZKOEB-UHFFFAOYSA-N 1 2 245.279 -0.127 20 0 BBADLO COC(C[N@H+](CCCO)Cc1cnon1)OC ZINC000851918175 588643218 /nfs/dbraw/zinc/64/32/18/588643218.db2.gz XOSASKOQUZKOEB-UHFFFAOYSA-N 1 2 245.279 -0.127 20 0 BBADLO CNC(=O)[C@H]1C[N@@H+](CCOC(F)F)CCO1 ZINC000851920701 588643948 /nfs/dbraw/zinc/64/39/48/588643948.db2.gz RMQYSVTZZIUSTM-SSDOTTSWSA-N 1 2 238.234 -0.328 20 0 BBADLO CNC(=O)[C@H]1C[N@H+](CCOC(F)F)CCO1 ZINC000851920701 588643947 /nfs/dbraw/zinc/64/39/47/588643947.db2.gz RMQYSVTZZIUSTM-SSDOTTSWSA-N 1 2 238.234 -0.328 20 0 BBADLO CNC(=O)[C@@H]1C[N@@H+](CCOC(F)F)CCO1 ZINC000851920702 588643928 /nfs/dbraw/zinc/64/39/28/588643928.db2.gz RMQYSVTZZIUSTM-ZETCQYMHSA-N 1 2 238.234 -0.328 20 0 BBADLO CNC(=O)[C@@H]1C[N@H+](CCOC(F)F)CCO1 ZINC000851920702 588643927 /nfs/dbraw/zinc/64/39/27/588643927.db2.gz RMQYSVTZZIUSTM-ZETCQYMHSA-N 1 2 238.234 -0.328 20 0 BBADLO CCN1CC[N@@H+](C[C@H]2CCC(=O)O2)CC1=O ZINC000851934958 588645716 /nfs/dbraw/zinc/64/57/16/588645716.db2.gz QIICAXSWLSYSNB-SECBINFHSA-N 1 2 226.276 -0.144 20 0 BBADLO CCN1CC[N@H+](C[C@H]2CCC(=O)O2)CC1=O ZINC000851934958 588645715 /nfs/dbraw/zinc/64/57/15/588645715.db2.gz QIICAXSWLSYSNB-SECBINFHSA-N 1 2 226.276 -0.144 20 0 BBADLO CCN1CC[N@@H+](C[C@@H]2CCC(=O)O2)CC1=O ZINC000851934960 588645982 /nfs/dbraw/zinc/64/59/82/588645982.db2.gz QIICAXSWLSYSNB-VIFPVBQESA-N 1 2 226.276 -0.144 20 0 BBADLO CCN1CC[N@H+](C[C@@H]2CCC(=O)O2)CC1=O ZINC000851934960 588645981 /nfs/dbraw/zinc/64/59/81/588645981.db2.gz QIICAXSWLSYSNB-VIFPVBQESA-N 1 2 226.276 -0.144 20 0 BBADLO COC(=O)C[C@@]1([NH2+]Cc2cnon2)CCOC1 ZINC000851940778 588646424 /nfs/dbraw/zinc/64/64/24/588646424.db2.gz DREDXLYFXDXXFQ-JTQLQIEISA-N 1 2 241.247 -0.119 20 0 BBADLO COC(=O)C[C@]1([NH2+]Cc2cnon2)CCOC1 ZINC000851940781 588646378 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/nfs/dbraw/zinc/64/90/21/588649021.db2.gz YDXGNEIUVYNQDB-RKDXNWHRSA-N 1 2 226.276 -0.146 20 0 BBADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1C[C@H]1CCC(=O)O1 ZINC000851969207 588649020 /nfs/dbraw/zinc/64/90/20/588649020.db2.gz YDXGNEIUVYNQDB-RKDXNWHRSA-N 1 2 226.276 -0.146 20 0 BBADLO CCn1ncc(C[N@@H+](C[C@@H](C)O)[C@H](C)CO)n1 ZINC000851971774 588649861 /nfs/dbraw/zinc/64/98/61/588649861.db2.gz KBSTUFHPWYFYCK-NXEZZACHSA-N 1 2 242.323 -0.138 20 0 BBADLO CCn1ncc(C[N@H+](C[C@@H](C)O)[C@H](C)CO)n1 ZINC000851971774 588649860 /nfs/dbraw/zinc/64/98/60/588649860.db2.gz KBSTUFHPWYFYCK-NXEZZACHSA-N 1 2 242.323 -0.138 20 0 BBADLO CCn1ncc(C[N@@H+](C[C@H](C)O)[C@@H](C)CO)n1 ZINC000851971779 588649808 /nfs/dbraw/zinc/64/98/08/588649808.db2.gz KBSTUFHPWYFYCK-UWVGGRQHSA-N 1 2 242.323 -0.138 20 0 BBADLO CCn1ncc(C[N@H+](C[C@H](C)O)[C@@H](C)CO)n1 ZINC000851971779 588649807 /nfs/dbraw/zinc/64/98/07/588649807.db2.gz KBSTUFHPWYFYCK-UWVGGRQHSA-N 1 2 242.323 -0.138 20 0 BBADLO CCn1ncc(C[N@@H+](C[C@@H](C)O)[C@@H](C)CO)n1 ZINC000851971781 588649476 /nfs/dbraw/zinc/64/94/76/588649476.db2.gz KBSTUFHPWYFYCK-VHSXEESVSA-N 1 2 242.323 -0.138 20 0 BBADLO CCn1ncc(C[N@H+](C[C@@H](C)O)[C@@H](C)CO)n1 ZINC000851971781 588649475 /nfs/dbraw/zinc/64/94/75/588649475.db2.gz KBSTUFHPWYFYCK-VHSXEESVSA-N 1 2 242.323 -0.138 20 0 BBADLO CCn1ncc(C[N@@H+](C[C@H](C)O)[C@H](C)CO)n1 ZINC000851971783 588649856 /nfs/dbraw/zinc/64/98/56/588649856.db2.gz KBSTUFHPWYFYCK-ZJUUUORDSA-N 1 2 242.323 -0.138 20 0 BBADLO CCn1ncc(C[N@H+](C[C@H](C)O)[C@H](C)CO)n1 ZINC000851971783 588649855 /nfs/dbraw/zinc/64/98/55/588649855.db2.gz KBSTUFHPWYFYCK-ZJUUUORDSA-N 1 2 242.323 -0.138 20 0 BBADLO C[C@@H](O)C[N@@H+](Cc1cnon1)[C@H](C)CO ZINC000851971869 588649663 /nfs/dbraw/zinc/64/96/63/588649663.db2.gz LHLMJGYNTSMNQK-HTQZYQBOSA-N 1 2 215.253 -0.367 20 0 BBADLO C[C@@H](O)C[N@H+](Cc1cnon1)[C@H](C)CO ZINC000851971869 588649662 /nfs/dbraw/zinc/64/96/62/588649662.db2.gz LHLMJGYNTSMNQK-HTQZYQBOSA-N 1 2 215.253 -0.367 20 0 BBADLO C[C@@H](O)C[N@@H+](Cc1cnon1)[C@@H](C)CO ZINC000851971870 588649510 /nfs/dbraw/zinc/64/95/10/588649510.db2.gz LHLMJGYNTSMNQK-JGVFFNPUSA-N 1 2 215.253 -0.367 20 0 BBADLO C[C@@H](O)C[N@H+](Cc1cnon1)[C@@H](C)CO ZINC000851971870 588649509 /nfs/dbraw/zinc/64/95/09/588649509.db2.gz LHLMJGYNTSMNQK-JGVFFNPUSA-N 1 2 215.253 -0.367 20 0 BBADLO C[C@H](CO)[N@H+](Cc1cnon1)C[C@H](C)O ZINC000851971871 588649579 /nfs/dbraw/zinc/64/95/79/588649579.db2.gz LHLMJGYNTSMNQK-SFYZADRCSA-N 1 2 215.253 -0.367 20 0 BBADLO C[C@H](CO)[N@@H+](Cc1cnon1)C[C@H](C)O ZINC000851971871 588649578 /nfs/dbraw/zinc/64/95/78/588649578.db2.gz LHLMJGYNTSMNQK-SFYZADRCSA-N 1 2 215.253 -0.367 20 0 BBADLO C[C@H](O)C[N@@H+](Cc1cnon1)[C@@H](C)CO ZINC000851971872 588649765 /nfs/dbraw/zinc/64/97/65/588649765.db2.gz LHLMJGYNTSMNQK-YUMQZZPRSA-N 1 2 215.253 -0.367 20 0 BBADLO C[C@H](O)C[N@H+](Cc1cnon1)[C@@H](C)CO ZINC000851971872 588649764 /nfs/dbraw/zinc/64/97/64/588649764.db2.gz LHLMJGYNTSMNQK-YUMQZZPRSA-N 1 2 215.253 -0.367 20 0 BBADLO CCn1ncc(C[N@H+]2CCc3nn[nH]c3C2)n1 ZINC000851973542 588650096 /nfs/dbraw/zinc/65/00/96/588650096.db2.gz DRRQMUCAXJQIPO-UHFFFAOYSA-N 1 2 233.279 -0.026 20 0 BBADLO CCn1ncc(C[N@@H+]2CCc3nn[nH]c3C2)n1 ZINC000851973542 588650095 /nfs/dbraw/zinc/65/00/95/588650095.db2.gz DRRQMUCAXJQIPO-UHFFFAOYSA-N 1 2 233.279 -0.026 20 0 BBADLO OC[C@H]1CC[N@@H+](Cc2cnon2)C[C@@H]1O ZINC000851977474 588650344 /nfs/dbraw/zinc/65/03/44/588650344.db2.gz AWLWXZPVCMRUPW-APPZFPTMSA-N 1 2 213.237 -0.755 20 0 BBADLO OC[C@H]1CC[N@H+](Cc2cnon2)C[C@@H]1O ZINC000851977474 588650343 /nfs/dbraw/zinc/65/03/43/588650343.db2.gz AWLWXZPVCMRUPW-APPZFPTMSA-N 1 2 213.237 -0.755 20 0 BBADLO OC[C@@H]1CC[N@@H+](Cc2cnon2)C[C@@H]1O ZINC000851977475 588650676 /nfs/dbraw/zinc/65/06/76/588650676.db2.gz AWLWXZPVCMRUPW-CBAPKCEASA-N 1 2 213.237 -0.755 20 0 BBADLO OC[C@@H]1CC[N@H+](Cc2cnon2)C[C@@H]1O ZINC000851977475 588650675 /nfs/dbraw/zinc/65/06/75/588650675.db2.gz AWLWXZPVCMRUPW-CBAPKCEASA-N 1 2 213.237 -0.755 20 0 BBADLO OC[C@@H]1CC[N@@H+](Cc2cnon2)C[C@H]1O ZINC000851977476 588650478 /nfs/dbraw/zinc/65/04/78/588650478.db2.gz AWLWXZPVCMRUPW-IONNQARKSA-N 1 2 213.237 -0.755 20 0 BBADLO OC[C@@H]1CC[N@H+](Cc2cnon2)C[C@H]1O ZINC000851977476 588650477 /nfs/dbraw/zinc/65/04/77/588650477.db2.gz AWLWXZPVCMRUPW-IONNQARKSA-N 1 2 213.237 -0.755 20 0 BBADLO OC[C@H]1CC[N@@H+](Cc2cnon2)C[C@H]1O ZINC000851977477 588650385 /nfs/dbraw/zinc/65/03/85/588650385.db2.gz AWLWXZPVCMRUPW-VXNVDRBHSA-N 1 2 213.237 -0.755 20 0 BBADLO OC[C@H]1CC[N@H+](Cc2cnon2)C[C@H]1O ZINC000851977477 588650384 /nfs/dbraw/zinc/65/03/84/588650384.db2.gz AWLWXZPVCMRUPW-VXNVDRBHSA-N 1 2 213.237 -0.755 20 0 BBADLO CCn1ncc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)n1 ZINC000851978879 588651174 /nfs/dbraw/zinc/65/11/74/588651174.db2.gz SPRBRQIPBFQCAV-GXSJLCMTSA-N 1 2 240.307 -0.527 20 0 BBADLO CCn1ncc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)n1 ZINC000851978879 588651173 /nfs/dbraw/zinc/65/11/73/588651173.db2.gz SPRBRQIPBFQCAV-GXSJLCMTSA-N 1 2 240.307 -0.527 20 0 BBADLO CCn1ncc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)n1 ZINC000851978880 588650915 /nfs/dbraw/zinc/65/09/15/588650915.db2.gz SPRBRQIPBFQCAV-KOLCDFICSA-N 1 2 240.307 -0.527 20 0 BBADLO CCn1ncc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)n1 ZINC000851978880 588650914 /nfs/dbraw/zinc/65/09/14/588650914.db2.gz SPRBRQIPBFQCAV-KOLCDFICSA-N 1 2 240.307 -0.527 20 0 BBADLO CCn1ncc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)n1 ZINC000851978881 588650994 /nfs/dbraw/zinc/65/09/94/588650994.db2.gz SPRBRQIPBFQCAV-MWLCHTKSSA-N 1 2 240.307 -0.527 20 0 BBADLO CCn1ncc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)n1 ZINC000851978881 588650993 /nfs/dbraw/zinc/65/09/93/588650993.db2.gz SPRBRQIPBFQCAV-MWLCHTKSSA-N 1 2 240.307 -0.527 20 0 BBADLO CCn1ncc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)n1 ZINC000851978882 588650971 /nfs/dbraw/zinc/65/09/71/588650971.db2.gz SPRBRQIPBFQCAV-ONGXEEELSA-N 1 2 240.307 -0.527 20 0 BBADLO CCn1ncc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)n1 ZINC000851978882 588650970 /nfs/dbraw/zinc/65/09/70/588650970.db2.gz SPRBRQIPBFQCAV-ONGXEEELSA-N 1 2 240.307 -0.527 20 0 BBADLO CC[N@H+](CC(N)=O)C[C@H](O)c1ccccn1 ZINC000851979186 588650804 /nfs/dbraw/zinc/65/08/04/588650804.db2.gz XSVKWPNZFPJRTJ-JTQLQIEISA-N 1 2 223.276 -0.078 20 0 BBADLO CC[N@@H+](CC(N)=O)C[C@H](O)c1ccccn1 ZINC000851979186 588650803 /nfs/dbraw/zinc/65/08/03/588650803.db2.gz XSVKWPNZFPJRTJ-JTQLQIEISA-N 1 2 223.276 -0.078 20 0 BBADLO CC[N@H+](CC(N)=O)C[C@@H](O)c1ccccn1 ZINC000851979187 588651141 /nfs/dbraw/zinc/65/11/41/588651141.db2.gz XSVKWPNZFPJRTJ-SNVBAGLBSA-N 1 2 223.276 -0.078 20 0 BBADLO CC[N@@H+](CC(N)=O)C[C@@H](O)c1ccccn1 ZINC000851979187 588651140 /nfs/dbraw/zinc/65/11/40/588651140.db2.gz XSVKWPNZFPJRTJ-SNVBAGLBSA-N 1 2 223.276 -0.078 20 0 BBADLO CO[C@@H]1C[N@@H+](Cc2cnon2)C[C@@H]1OC ZINC000851983123 588651334 /nfs/dbraw/zinc/65/13/34/588651334.db2.gz UPIPFISHXWYZBA-DTORHVGOSA-N 1 2 213.237 -0.085 20 0 BBADLO CO[C@@H]1C[N@H+](Cc2cnon2)C[C@@H]1OC ZINC000851983123 588651333 /nfs/dbraw/zinc/65/13/33/588651333.db2.gz UPIPFISHXWYZBA-DTORHVGOSA-N 1 2 213.237 -0.085 20 0 BBADLO OC[C@@H]1COCC[N@H+]1CCOC(F)F ZINC000851987193 588651785 /nfs/dbraw/zinc/65/17/85/588651785.db2.gz BDJHTOGFUBRABJ-SSDOTTSWSA-N 1 2 211.208 -0.081 20 0 BBADLO OC[C@@H]1COCC[N@@H+]1CCOC(F)F ZINC000851987193 588651784 /nfs/dbraw/zinc/65/17/84/588651784.db2.gz BDJHTOGFUBRABJ-SSDOTTSWSA-N 1 2 211.208 -0.081 20 0 BBADLO CC1(C)OC[C@@H](C[N@H+]2CCOC[C@H]2CO)O1 ZINC000851988522 582990328 /nfs/dbraw/zinc/99/03/28/582990328.db2.gz OCTWBUFNTZWWPD-NXEZZACHSA-N 1 2 231.292 -0.169 20 0 BBADLO CC1(C)OC[C@@H](C[N@@H+]2CCOC[C@H]2CO)O1 ZINC000851988522 582990326 /nfs/dbraw/zinc/99/03/26/582990326.db2.gz OCTWBUFNTZWWPD-NXEZZACHSA-N 1 2 231.292 -0.169 20 0 BBADLO CC1(C)OC[C@H](C[N@H+]2CCOC[C@H]2CO)O1 ZINC000851988523 582990050 /nfs/dbraw/zinc/99/00/50/582990050.db2.gz OCTWBUFNTZWWPD-ZJUUUORDSA-N 1 2 231.292 -0.169 20 0 BBADLO CC1(C)OC[C@H](C[N@@H+]2CCOC[C@H]2CO)O1 ZINC000851988523 582990046 /nfs/dbraw/zinc/99/00/46/582990046.db2.gz OCTWBUFNTZWWPD-ZJUUUORDSA-N 1 2 231.292 -0.169 20 0 BBADLO O=C1N[C@H]2CC[N@@H+](Cc3cnon3)C[C@@H]2CO1 ZINC000852007521 588654789 /nfs/dbraw/zinc/65/47/89/588654789.db2.gz OKIFOGYLAJVECV-APPZFPTMSA-N 1 2 238.247 0.000 20 0 BBADLO O=C1N[C@H]2CC[N@H+](Cc3cnon3)C[C@@H]2CO1 ZINC000852007521 588654788 /nfs/dbraw/zinc/65/47/88/588654788.db2.gz OKIFOGYLAJVECV-APPZFPTMSA-N 1 2 238.247 0.000 20 0 BBADLO CCn1ncc(C[N@@H+](C)CCOCCO)n1 ZINC000852013628 588655437 /nfs/dbraw/zinc/65/54/37/588655437.db2.gz GRUSVWHCAJSJFX-UHFFFAOYSA-N 1 2 228.296 -0.261 20 0 BBADLO CCn1ncc(C[N@H+](C)CCOCCO)n1 ZINC000852013628 588655436 /nfs/dbraw/zinc/65/54/36/588655436.db2.gz GRUSVWHCAJSJFX-UHFFFAOYSA-N 1 2 228.296 -0.261 20 0 BBADLO C[N@@H+](CCOCCO)Cc1cnon1 ZINC000852014465 588655413 /nfs/dbraw/zinc/65/54/13/588655413.db2.gz PTOWEUDOTNCMTR-UHFFFAOYSA-N 1 2 201.226 -0.490 20 0 BBADLO C[N@H+](CCOCCO)Cc1cnon1 ZINC000852014465 588655412 /nfs/dbraw/zinc/65/54/12/588655412.db2.gz PTOWEUDOTNCMTR-UHFFFAOYSA-N 1 2 201.226 -0.490 20 0 BBADLO CC[N@@H+](CCOCCO)Cc1cnon1 ZINC000852014830 588655603 /nfs/dbraw/zinc/65/56/03/588655603.db2.gz FWIWSVJPEKBEBR-UHFFFAOYSA-N 1 2 215.253 -0.100 20 0 BBADLO CC[N@H+](CCOCCO)Cc1cnon1 ZINC000852014830 588655602 /nfs/dbraw/zinc/65/56/02/588655602.db2.gz FWIWSVJPEKBEBR-UHFFFAOYSA-N 1 2 215.253 -0.100 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@@H]2CCC(=O)O2)CC(=O)N1C ZINC000852015332 588655442 /nfs/dbraw/zinc/65/54/42/588655442.db2.gz TXGRRGUCEWUXTQ-BDAKNGLRSA-N 1 2 226.276 -0.146 20 0 BBADLO C[C@@H]1C[N@H+](C[C@@H]2CCC(=O)O2)CC(=O)N1C ZINC000852015332 588655441 /nfs/dbraw/zinc/65/54/41/588655441.db2.gz TXGRRGUCEWUXTQ-BDAKNGLRSA-N 1 2 226.276 -0.146 20 0 BBADLO C[C@H]1C[N@@H+](C[C@H]2CCC(=O)O2)CC(=O)N1C ZINC000852015333 588655214 /nfs/dbraw/zinc/65/52/14/588655214.db2.gz TXGRRGUCEWUXTQ-DTWKUNHWSA-N 1 2 226.276 -0.146 20 0 BBADLO C[C@H]1C[N@H+](C[C@H]2CCC(=O)O2)CC(=O)N1C ZINC000852015333 588655213 /nfs/dbraw/zinc/65/52/13/588655213.db2.gz TXGRRGUCEWUXTQ-DTWKUNHWSA-N 1 2 226.276 -0.146 20 0 BBADLO C[C@H]1C[N@@H+](C[C@@H]2CCC(=O)O2)CC(=O)N1C ZINC000852015334 588655401 /nfs/dbraw/zinc/65/54/01/588655401.db2.gz TXGRRGUCEWUXTQ-IUCAKERBSA-N 1 2 226.276 -0.146 20 0 BBADLO C[C@H]1C[N@H+](C[C@@H]2CCC(=O)O2)CC(=O)N1C ZINC000852015334 588655400 /nfs/dbraw/zinc/65/54/00/588655400.db2.gz TXGRRGUCEWUXTQ-IUCAKERBSA-N 1 2 226.276 -0.146 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@H]2CCC(=O)O2)CC(=O)N1C ZINC000852015335 588655489 /nfs/dbraw/zinc/65/54/89/588655489.db2.gz TXGRRGUCEWUXTQ-RKDXNWHRSA-N 1 2 226.276 -0.146 20 0 BBADLO C[C@@H]1C[N@H+](C[C@H]2CCC(=O)O2)CC(=O)N1C ZINC000852015335 588655488 /nfs/dbraw/zinc/65/54/88/588655488.db2.gz TXGRRGUCEWUXTQ-RKDXNWHRSA-N 1 2 226.276 -0.146 20 0 BBADLO CCn1ncc(C[N@@H+](C)CCC(N)=O)n1 ZINC000852046209 588657630 /nfs/dbraw/zinc/65/76/30/588657630.db2.gz MUHYMJLODYBQFU-UHFFFAOYSA-N 1 2 211.269 -0.395 20 0 BBADLO CCn1ncc(C[N@H+](C)CCC(N)=O)n1 ZINC000852046209 588657629 /nfs/dbraw/zinc/65/76/29/588657629.db2.gz MUHYMJLODYBQFU-UHFFFAOYSA-N 1 2 211.269 -0.395 20 0 BBADLO C[C@@H](O)C[N@@H+](CCO)Cc1cnon1 ZINC000852055255 588657780 /nfs/dbraw/zinc/65/77/80/588657780.db2.gz AYDNVKHXQNCBMN-SSDOTTSWSA-N 1 2 201.226 -0.755 20 0 BBADLO C[C@@H](O)C[N@H+](CCO)Cc1cnon1 ZINC000852055255 588657779 /nfs/dbraw/zinc/65/77/79/588657779.db2.gz AYDNVKHXQNCBMN-SSDOTTSWSA-N 1 2 201.226 -0.755 20 0 BBADLO C[C@H](O)C[N@@H+](CCO)Cc1cnon1 ZINC000852055256 588657824 /nfs/dbraw/zinc/65/78/24/588657824.db2.gz AYDNVKHXQNCBMN-ZETCQYMHSA-N 1 2 201.226 -0.755 20 0 BBADLO C[C@H](O)C[N@H+](CCO)Cc1cnon1 ZINC000852055256 588657823 /nfs/dbraw/zinc/65/78/23/588657823.db2.gz AYDNVKHXQNCBMN-ZETCQYMHSA-N 1 2 201.226 -0.755 20 0 BBADLO CCn1ncc(C[N@@H+](CCO)C[C@@H](C)O)n1 ZINC000852056501 588658171 /nfs/dbraw/zinc/65/81/71/588658171.db2.gz JRAJXJUAJDIQIY-SECBINFHSA-N 1 2 228.296 -0.527 20 0 BBADLO CCn1ncc(C[N@H+](CCO)C[C@@H](C)O)n1 ZINC000852056501 588658170 /nfs/dbraw/zinc/65/81/70/588658170.db2.gz JRAJXJUAJDIQIY-SECBINFHSA-N 1 2 228.296 -0.527 20 0 BBADLO CCn1ncc(C[N@@H+](CCO)C[C@H](C)O)n1 ZINC000852056502 588658295 /nfs/dbraw/zinc/65/82/95/588658295.db2.gz JRAJXJUAJDIQIY-VIFPVBQESA-N 1 2 228.296 -0.527 20 0 BBADLO CCn1ncc(C[N@H+](CCO)C[C@H](C)O)n1 ZINC000852056502 588658294 /nfs/dbraw/zinc/65/82/94/588658294.db2.gz JRAJXJUAJDIQIY-VIFPVBQESA-N 1 2 228.296 -0.527 20 0 BBADLO CON(C)C(=O)CN1CCn2c[nH+]cc2C1 ZINC000852062817 588658699 /nfs/dbraw/zinc/65/86/99/588658699.db2.gz BPCIPEAMPXJMNS-UHFFFAOYSA-N 1 2 224.264 -0.282 20 0 BBADLO COC[C@@H](C[NH2+][C@]1(C)CCOC1=O)OC ZINC000852064344 588658773 /nfs/dbraw/zinc/65/87/73/588658773.db2.gz WHFNQJHOTZUQNQ-PSASIEDQSA-N 1 2 217.265 -0.057 20 0 BBADLO COC[C@@H](C[NH2+][C@@]1(C)CCOC1=O)OC ZINC000852064347 588658790 /nfs/dbraw/zinc/65/87/90/588658790.db2.gz WHFNQJHOTZUQNQ-SCZZXKLOSA-N 1 2 217.265 -0.057 20 0 BBADLO COC[C@H](C[NH2+][C@]1(C)CCOC1=O)OC ZINC000852064349 588658814 /nfs/dbraw/zinc/65/88/14/588658814.db2.gz WHFNQJHOTZUQNQ-WCBMZHEXSA-N 1 2 217.265 -0.057 20 0 BBADLO COC[C@H](C[NH2+][C@@]1(C)CCOC1=O)OC ZINC000852064350 588659063 /nfs/dbraw/zinc/65/90/63/588659063.db2.gz WHFNQJHOTZUQNQ-WPRPVWTQSA-N 1 2 217.265 -0.057 20 0 BBADLO CCN1OC[C@H]([N@H+]2CCCN(C=O)CC2)C1=O ZINC000852073671 588659846 /nfs/dbraw/zinc/65/98/46/588659846.db2.gz XGFAGSVYUPSYOX-JTQLQIEISA-N 1 2 241.291 -0.687 20 0 BBADLO CCN1OC[C@H]([N@@H+]2CCCN(C=O)CC2)C1=O ZINC000852073671 588659845 /nfs/dbraw/zinc/65/98/45/588659845.db2.gz XGFAGSVYUPSYOX-JTQLQIEISA-N 1 2 241.291 -0.687 20 0 BBADLO CCN1OC[C@@H]([N@H+]2CCCN(C=O)CC2)C1=O ZINC000852073673 588659966 /nfs/dbraw/zinc/65/99/66/588659966.db2.gz XGFAGSVYUPSYOX-SNVBAGLBSA-N 1 2 241.291 -0.687 20 0 BBADLO CCN1OC[C@@H]([N@@H+]2CCCN(C=O)CC2)C1=O ZINC000852073673 588659965 /nfs/dbraw/zinc/65/99/65/588659965.db2.gz XGFAGSVYUPSYOX-SNVBAGLBSA-N 1 2 241.291 -0.687 20 0 BBADLO CCn1ncc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)n1 ZINC000852075569 588659665 /nfs/dbraw/zinc/65/96/65/588659665.db2.gz LQSWDWIZXGJUQK-URLYPYJESA-N 1 2 222.292 -0.032 20 0 BBADLO CCn1ncc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)n1 ZINC000852075569 588659664 /nfs/dbraw/zinc/65/96/64/588659664.db2.gz LQSWDWIZXGJUQK-URLYPYJESA-N 1 2 222.292 -0.032 20 0 BBADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cnon3)C[C@@H]21 ZINC000852076375 588659616 /nfs/dbraw/zinc/65/96/16/588659616.db2.gz SFZAPGVLULRAKB-BRPSZJMVSA-N 1 2 223.232 -0.080 20 0 BBADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cnon3)C[C@@H]21 ZINC000852076375 588659615 /nfs/dbraw/zinc/65/96/15/588659615.db2.gz SFZAPGVLULRAKB-BRPSZJMVSA-N 1 2 223.232 -0.080 20 0 BBADLO COC[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1COC(C)(C)O1 ZINC000852090656 588660999 /nfs/dbraw/zinc/66/09/99/588660999.db2.gz QJYNZLPJNBEEFW-BDAKNGLRSA-N 1 2 246.307 -0.430 20 0 BBADLO COC[C@@H](C(N)=O)[N@H+](C)C[C@@H]1COC(C)(C)O1 ZINC000852090656 588660998 /nfs/dbraw/zinc/66/09/98/588660998.db2.gz QJYNZLPJNBEEFW-BDAKNGLRSA-N 1 2 246.307 -0.430 20 0 BBADLO COC[C@@H](C(N)=O)[N@@H+](C)C[C@H]1COC(C)(C)O1 ZINC000852090657 588660733 /nfs/dbraw/zinc/66/07/33/588660733.db2.gz QJYNZLPJNBEEFW-IUCAKERBSA-N 1 2 246.307 -0.430 20 0 BBADLO COC[C@@H](C(N)=O)[N@H+](C)C[C@H]1COC(C)(C)O1 ZINC000852090657 588660732 /nfs/dbraw/zinc/66/07/32/588660732.db2.gz QJYNZLPJNBEEFW-IUCAKERBSA-N 1 2 246.307 -0.430 20 0 BBADLO CCn1ncc(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)n1 ZINC000852136837 588666137 /nfs/dbraw/zinc/66/61/37/588666137.db2.gz FZIAFQGLFOWRNF-DTORHVGOSA-N 1 2 249.274 -0.998 20 0 BBADLO CCn1ncc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)n1 ZINC000852136837 588666136 /nfs/dbraw/zinc/66/61/36/588666136.db2.gz FZIAFQGLFOWRNF-DTORHVGOSA-N 1 2 249.274 -0.998 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@H]2CCC(=O)O2)CC(=O)N1 ZINC000852137128 588666088 /nfs/dbraw/zinc/66/60/88/588666088.db2.gz KHFBSWNWXKTKPV-HTQZYQBOSA-N 1 2 212.249 -0.488 20 0 BBADLO C[C@@H]1C[N@H+](C[C@H]2CCC(=O)O2)CC(=O)N1 ZINC000852137128 588666087 /nfs/dbraw/zinc/66/60/87/588666087.db2.gz KHFBSWNWXKTKPV-HTQZYQBOSA-N 1 2 212.249 -0.488 20 0 BBADLO C[C@H]1C[N@@H+](C[C@H]2CCC(=O)O2)CC(=O)N1 ZINC000852137130 588666036 /nfs/dbraw/zinc/66/60/36/588666036.db2.gz KHFBSWNWXKTKPV-JGVFFNPUSA-N 1 2 212.249 -0.488 20 0 BBADLO C[C@H]1C[N@H+](C[C@H]2CCC(=O)O2)CC(=O)N1 ZINC000852137130 588666035 /nfs/dbraw/zinc/66/60/35/588666035.db2.gz KHFBSWNWXKTKPV-JGVFFNPUSA-N 1 2 212.249 -0.488 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@@H]2CCC(=O)O2)CC(=O)N1 ZINC000852137131 588666071 /nfs/dbraw/zinc/66/60/71/588666071.db2.gz KHFBSWNWXKTKPV-SFYZADRCSA-N 1 2 212.249 -0.488 20 0 BBADLO C[C@@H]1C[N@H+](C[C@@H]2CCC(=O)O2)CC(=O)N1 ZINC000852137131 588666070 /nfs/dbraw/zinc/66/60/70/588666070.db2.gz KHFBSWNWXKTKPV-SFYZADRCSA-N 1 2 212.249 -0.488 20 0 BBADLO C[C@H]1C[N@@H+](C[C@@H]2CCC(=O)O2)CC(=O)N1 ZINC000852137133 588666041 /nfs/dbraw/zinc/66/60/41/588666041.db2.gz KHFBSWNWXKTKPV-YUMQZZPRSA-N 1 2 212.249 -0.488 20 0 BBADLO C[C@H]1C[N@H+](C[C@@H]2CCC(=O)O2)CC(=O)N1 ZINC000852137133 588666040 /nfs/dbraw/zinc/66/60/40/588666040.db2.gz KHFBSWNWXKTKPV-YUMQZZPRSA-N 1 2 212.249 -0.488 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@H]2COC(C)(C)O2)CC(=O)N1 ZINC000852137191 588666326 /nfs/dbraw/zinc/66/63/26/588666326.db2.gz LISXVIQKLKCYKB-BDAKNGLRSA-N 1 2 228.292 -0.042 20 0 BBADLO C[C@@H]1C[N@H+](C[C@H]2COC(C)(C)O2)CC(=O)N1 ZINC000852137191 588666325 /nfs/dbraw/zinc/66/63/25/588666325.db2.gz LISXVIQKLKCYKB-BDAKNGLRSA-N 1 2 228.292 -0.042 20 0 BBADLO C[C@H]1C[N@@H+](C[C@@H]2COC(C)(C)O2)CC(=O)N1 ZINC000852137192 588666629 /nfs/dbraw/zinc/66/66/29/588666629.db2.gz LISXVIQKLKCYKB-DTWKUNHWSA-N 1 2 228.292 -0.042 20 0 BBADLO C[C@H]1C[N@H+](C[C@@H]2COC(C)(C)O2)CC(=O)N1 ZINC000852137192 588666628 /nfs/dbraw/zinc/66/66/28/588666628.db2.gz LISXVIQKLKCYKB-DTWKUNHWSA-N 1 2 228.292 -0.042 20 0 BBADLO C[C@H]1C[N@@H+](C[C@H]2COC(C)(C)O2)CC(=O)N1 ZINC000852137193 588666524 /nfs/dbraw/zinc/66/65/24/588666524.db2.gz LISXVIQKLKCYKB-IUCAKERBSA-N 1 2 228.292 -0.042 20 0 BBADLO C[C@H]1C[N@H+](C[C@H]2COC(C)(C)O2)CC(=O)N1 ZINC000852137193 588666523 /nfs/dbraw/zinc/66/65/23/588666523.db2.gz LISXVIQKLKCYKB-IUCAKERBSA-N 1 2 228.292 -0.042 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@@H]2COC(C)(C)O2)CC(=O)N1 ZINC000852137194 588666598 /nfs/dbraw/zinc/66/65/98/588666598.db2.gz LISXVIQKLKCYKB-RKDXNWHRSA-N 1 2 228.292 -0.042 20 0 BBADLO C[C@@H]1C[N@H+](C[C@@H]2COC(C)(C)O2)CC(=O)N1 ZINC000852137194 588666597 /nfs/dbraw/zinc/66/65/97/588666597.db2.gz LISXVIQKLKCYKB-RKDXNWHRSA-N 1 2 228.292 -0.042 20 0 BBADLO C[C@H]1C[N@@H+](C[C@@H](O)c2ccccn2)CC(=O)N1 ZINC000852137884 588666601 /nfs/dbraw/zinc/66/66/01/588666601.db2.gz ZNODZSCLJDBUKC-GXSJLCMTSA-N 1 2 235.287 -0.065 20 0 BBADLO C[C@H]1C[N@H+](C[C@@H](O)c2ccccn2)CC(=O)N1 ZINC000852137884 588666600 /nfs/dbraw/zinc/66/66/00/588666600.db2.gz ZNODZSCLJDBUKC-GXSJLCMTSA-N 1 2 235.287 -0.065 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccccn2)CC(=O)N1 ZINC000852137885 588666306 /nfs/dbraw/zinc/66/63/06/588666306.db2.gz ZNODZSCLJDBUKC-KOLCDFICSA-N 1 2 235.287 -0.065 20 0 BBADLO C[C@@H]1C[N@H+](C[C@H](O)c2ccccn2)CC(=O)N1 ZINC000852137885 588666305 /nfs/dbraw/zinc/66/63/05/588666305.db2.gz ZNODZSCLJDBUKC-KOLCDFICSA-N 1 2 235.287 -0.065 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccccn2)CC(=O)N1 ZINC000852137886 588666266 /nfs/dbraw/zinc/66/62/66/588666266.db2.gz ZNODZSCLJDBUKC-MWLCHTKSSA-N 1 2 235.287 -0.065 20 0 BBADLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccccn2)CC(=O)N1 ZINC000852137886 588666265 /nfs/dbraw/zinc/66/62/65/588666265.db2.gz ZNODZSCLJDBUKC-MWLCHTKSSA-N 1 2 235.287 -0.065 20 0 BBADLO C[C@H]1C[N@@H+](C[C@H](O)c2ccccn2)CC(=O)N1 ZINC000852137887 588666517 /nfs/dbraw/zinc/66/65/17/588666517.db2.gz ZNODZSCLJDBUKC-ONGXEEELSA-N 1 2 235.287 -0.065 20 0 BBADLO C[C@H]1C[N@H+](C[C@H](O)c2ccccn2)CC(=O)N1 ZINC000852137887 588666516 /nfs/dbraw/zinc/66/65/16/588666516.db2.gz ZNODZSCLJDBUKC-ONGXEEELSA-N 1 2 235.287 -0.065 20 0 BBADLO CCS(=O)(=O)C1C[NH+](CCC2OCCO2)C1 ZINC000852138549 588666260 /nfs/dbraw/zinc/66/62/60/588666260.db2.gz FANBBVUJGGWHGS-UHFFFAOYSA-N 1 2 249.332 -0.132 20 0 BBADLO CCS(=O)(=O)C1C[NH+](C[C@H](O)C2CC2)C1 ZINC000852139244 588666623 /nfs/dbraw/zinc/66/66/23/588666623.db2.gz NVXWHTBKJBBSGX-JTQLQIEISA-N 1 2 233.333 -0.124 20 0 BBADLO CCS(=O)(=O)C1C[NH+](C[C@@H](O)C2CC2)C1 ZINC000852139245 588666513 /nfs/dbraw/zinc/66/65/13/588666513.db2.gz NVXWHTBKJBBSGX-SNVBAGLBSA-N 1 2 233.333 -0.124 20 0 BBADLO CCn1ncc(C[N@H+]2C[C@@H](O)[C@H](OC)C2)n1 ZINC000852141882 588666533 /nfs/dbraw/zinc/66/65/33/588666533.db2.gz YQIAPTNZQIMWHN-NXEZZACHSA-N 1 2 226.280 -0.511 20 0 BBADLO CCn1ncc(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)n1 ZINC000852141882 588666532 /nfs/dbraw/zinc/66/65/32/588666532.db2.gz YQIAPTNZQIMWHN-NXEZZACHSA-N 1 2 226.280 -0.511 20 0 BBADLO CON1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000852143934 588666666 /nfs/dbraw/zinc/66/66/66/588666666.db2.gz IYELMRWSTYRFNW-UHFFFAOYSA-N 1 2 211.269 -0.474 20 0 BBADLO CON1CC[NH+](CCc2c[nH]nn2)CC1 ZINC000852143934 588666665 /nfs/dbraw/zinc/66/66/65/588666665.db2.gz IYELMRWSTYRFNW-UHFFFAOYSA-N 1 2 211.269 -0.474 20 0 BBADLO CCN1CC[C@H]([NH+]2CCN(OC)CC2)C1=O ZINC000852144130 588666958 /nfs/dbraw/zinc/66/69/58/588666958.db2.gz KWXNLCGWXTXUBF-JTQLQIEISA-N 1 2 227.308 -0.214 20 0 BBADLO CCN1CC[C@@H]([NH+]2CCN(OC)CC2)C1=O ZINC000852144131 588666865 /nfs/dbraw/zinc/66/68/65/588666865.db2.gz KWXNLCGWXTXUBF-SNVBAGLBSA-N 1 2 227.308 -0.214 20 0 BBADLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cnn(C)n1 ZINC000852146231 588667174 /nfs/dbraw/zinc/66/71/74/588667174.db2.gz JJGXYYUVUBUKJW-NXEZZACHSA-N 1 2 226.280 -0.291 20 0 BBADLO COC[C@@]1(CO)CC[N@@H+](Cc2cnon2)C1 ZINC000852146709 588666698 /nfs/dbraw/zinc/66/66/98/588666698.db2.gz RXFNLWRTTGDCOO-JTQLQIEISA-N 1 2 227.264 -0.100 20 0 BBADLO COC[C@@]1(CO)CC[N@H+](Cc2cnon2)C1 ZINC000852146709 588666697 /nfs/dbraw/zinc/66/66/97/588666697.db2.gz RXFNLWRTTGDCOO-JTQLQIEISA-N 1 2 227.264 -0.100 20 0 BBADLO COC[C@]1(CO)CC[N@@H+](Cc2cnon2)C1 ZINC000852146710 588666654 /nfs/dbraw/zinc/66/66/54/588666654.db2.gz RXFNLWRTTGDCOO-SNVBAGLBSA-N 1 2 227.264 -0.100 20 0 BBADLO COC[C@]1(CO)CC[N@H+](Cc2cnon2)C1 ZINC000852146710 588666653 /nfs/dbraw/zinc/66/66/53/588666653.db2.gz RXFNLWRTTGDCOO-SNVBAGLBSA-N 1 2 227.264 -0.100 20 0 BBADLO NC(=O)C[C@@H]1COCC[N@H+]1CCOC(F)F ZINC000852149058 588667444 /nfs/dbraw/zinc/66/74/44/588667444.db2.gz KKYOOLBJTJMCPS-SSDOTTSWSA-N 1 2 238.234 -0.198 20 0 BBADLO NC(=O)C[C@@H]1COCC[N@@H+]1CCOC(F)F ZINC000852149058 588667443 /nfs/dbraw/zinc/66/74/43/588667443.db2.gz KKYOOLBJTJMCPS-SSDOTTSWSA-N 1 2 238.234 -0.198 20 0 BBADLO NC(=O)C[C@H]1COCC[N@H+]1CCOC(F)F ZINC000852149059 588667725 /nfs/dbraw/zinc/66/77/25/588667725.db2.gz KKYOOLBJTJMCPS-ZETCQYMHSA-N 1 2 238.234 -0.198 20 0 BBADLO NC(=O)C[C@H]1COCC[N@@H+]1CCOC(F)F ZINC000852149059 588667724 /nfs/dbraw/zinc/66/77/24/588667724.db2.gz KKYOOLBJTJMCPS-ZETCQYMHSA-N 1 2 238.234 -0.198 20 0 BBADLO COC(=O)[C@@](C)(CO)[NH2+]C[C@@H](O)C1CC1 ZINC000852158710 588668050 /nfs/dbraw/zinc/66/80/50/588668050.db2.gz HPVUFTLXEOGUSP-PSASIEDQSA-N 1 2 217.265 -0.729 20 0 BBADLO COC(=O)[C@](C)(CO)[NH2+]C[C@@H](O)C1CC1 ZINC000852158711 588668086 /nfs/dbraw/zinc/66/80/86/588668086.db2.gz HPVUFTLXEOGUSP-SCZZXKLOSA-N 1 2 217.265 -0.729 20 0 BBADLO COC(=O)[C@@](C)(CO)[NH2+]C[C@H](O)C1CC1 ZINC000852158712 588668202 /nfs/dbraw/zinc/66/82/02/588668202.db2.gz HPVUFTLXEOGUSP-WCBMZHEXSA-N 1 2 217.265 -0.729 20 0 BBADLO COC(=O)[C@](C)(CO)[NH2+]C[C@H](O)C1CC1 ZINC000852158713 588668178 /nfs/dbraw/zinc/66/81/78/588668178.db2.gz HPVUFTLXEOGUSP-WPRPVWTQSA-N 1 2 217.265 -0.729 20 0 BBADLO COC(=O)[C@@](C)(CO)[NH2+]CC[C@H]1CCOC1 ZINC000852159818 588668039 /nfs/dbraw/zinc/66/80/39/588668039.db2.gz SCVLZSDOTBDNCX-GXSJLCMTSA-N 1 2 231.292 -0.073 20 0 BBADLO COC(=O)[C@](C)(CO)[NH2+]CC[C@@H]1CCOC1 ZINC000852159819 588668282 /nfs/dbraw/zinc/66/82/82/588668282.db2.gz SCVLZSDOTBDNCX-KOLCDFICSA-N 1 2 231.292 -0.073 20 0 BBADLO COC(=O)[C@@](C)(CO)[NH2+]CC[C@@H]1CCOC1 ZINC000852159820 588668160 /nfs/dbraw/zinc/66/81/60/588668160.db2.gz SCVLZSDOTBDNCX-MWLCHTKSSA-N 1 2 231.292 -0.073 20 0 BBADLO COC(=O)[C@](C)(CO)[NH2+]CC[C@H]1CCOC1 ZINC000852159821 588668241 /nfs/dbraw/zinc/66/82/41/588668241.db2.gz SCVLZSDOTBDNCX-ONGXEEELSA-N 1 2 231.292 -0.073 20 0 BBADLO OC[C@@]1(O)CCC[N@@H+](Cc2cnon2)C1 ZINC000852160382 588668269 /nfs/dbraw/zinc/66/82/69/588668269.db2.gz GBWOHACQSZELRS-SECBINFHSA-N 1 2 213.237 -0.611 20 0 BBADLO OC[C@@]1(O)CCC[N@H+](Cc2cnon2)C1 ZINC000852160382 588668268 /nfs/dbraw/zinc/66/82/68/588668268.db2.gz GBWOHACQSZELRS-SECBINFHSA-N 1 2 213.237 -0.611 20 0 BBADLO OC[C@]1(O)CCC[N@@H+](Cc2cnon2)C1 ZINC000852160384 588668222 /nfs/dbraw/zinc/66/82/22/588668222.db2.gz GBWOHACQSZELRS-VIFPVBQESA-N 1 2 213.237 -0.611 20 0 BBADLO OC[C@]1(O)CCC[N@H+](Cc2cnon2)C1 ZINC000852160384 588668221 /nfs/dbraw/zinc/66/82/21/588668221.db2.gz GBWOHACQSZELRS-VIFPVBQESA-N 1 2 213.237 -0.611 20 0 BBADLO CCn1ncc(C[NH2+][C@@H]2COC[C@@H]2OC)n1 ZINC000852164110 588668926 /nfs/dbraw/zinc/66/89/26/588668926.db2.gz PZEXQPXSKXKHCV-ZJUUUORDSA-N 1 2 226.280 -0.199 20 0 BBADLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1cnn(C)n1 ZINC000852164122 588668734 /nfs/dbraw/zinc/66/87/34/588668734.db2.gz QHJQSTJRJLRADL-DTWKUNHWSA-N 1 2 212.253 -0.682 20 0 BBADLO CN(C)C(=O)C1([NH2+]Cc2cnon2)CC1 ZINC000852172901 588666052 /nfs/dbraw/zinc/66/60/52/588666052.db2.gz WBCVFGCWQQSVIN-UHFFFAOYSA-N 1 2 210.237 -0.220 20 0 BBADLO CN(C)C(=O)C1([NH2+]Cc2cnn(C)n2)CC1 ZINC000852173375 588669349 /nfs/dbraw/zinc/66/93/49/588669349.db2.gz ZAEJWWRFTSUODX-UHFFFAOYSA-N 1 2 223.280 -0.475 20 0 BBADLO CNC(=O)NC1CC[NH+](Cc2cnon2)CC1 ZINC000852174078 588669083 /nfs/dbraw/zinc/66/90/83/588669083.db2.gz RMDVPMBGCTUKKN-UHFFFAOYSA-N 1 2 239.279 -0.037 20 0 BBADLO CC(=O)N[C@@H]1CC[N@H+](Cc2cnn(C)n2)C1 ZINC000852184380 588670766 /nfs/dbraw/zinc/67/07/66/588670766.db2.gz JRKDREOPYCPKQE-SECBINFHSA-N 1 2 223.280 -0.475 20 0 BBADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cnn(C)n2)C1 ZINC000852184380 588670765 /nfs/dbraw/zinc/67/07/65/588670765.db2.gz JRKDREOPYCPKQE-SECBINFHSA-N 1 2 223.280 -0.475 20 0 BBADLO CC(=O)N[C@H]1CC[N@H+](Cc2cnn(C)n2)C1 ZINC000852184381 588670371 /nfs/dbraw/zinc/67/03/71/588670371.db2.gz JRKDREOPYCPKQE-VIFPVBQESA-N 1 2 223.280 -0.475 20 0 BBADLO CC(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)n2)C1 ZINC000852184381 588670370 /nfs/dbraw/zinc/67/03/70/588670370.db2.gz JRKDREOPYCPKQE-VIFPVBQESA-N 1 2 223.280 -0.475 20 0 BBADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC000852185564 588670539 /nfs/dbraw/zinc/67/05/39/588670539.db2.gz ZOJBVGZVURCZDR-MRVPVSSYSA-N 1 2 210.237 -0.220 20 0 BBADLO CC(=O)N[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC000852185564 588670538 /nfs/dbraw/zinc/67/05/38/588670538.db2.gz ZOJBVGZVURCZDR-MRVPVSSYSA-N 1 2 210.237 -0.220 20 0 BBADLO CC(=O)N[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC000852185566 588670689 /nfs/dbraw/zinc/67/06/89/588670689.db2.gz ZOJBVGZVURCZDR-QMMMGPOBSA-N 1 2 210.237 -0.220 20 0 BBADLO CC(=O)N[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC000852185566 588670688 /nfs/dbraw/zinc/67/06/88/588670688.db2.gz ZOJBVGZVURCZDR-QMMMGPOBSA-N 1 2 210.237 -0.220 20 0 BBADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@@H]1CCC(=O)O1 ZINC000852186373 588670553 /nfs/dbraw/zinc/67/05/53/588670553.db2.gz DZZNKUQVJPTJOO-LURJTMIESA-N 1 2 227.220 -0.087 20 0 BBADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@@H]1CCC(=O)O1 ZINC000852186373 588670552 /nfs/dbraw/zinc/67/05/52/588670552.db2.gz DZZNKUQVJPTJOO-LURJTMIESA-N 1 2 227.220 -0.087 20 0 BBADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@H]1CCC(=O)O1 ZINC000852186377 588670419 /nfs/dbraw/zinc/67/04/19/588670419.db2.gz DZZNKUQVJPTJOO-ZCFIWIBFSA-N 1 2 227.220 -0.087 20 0 BBADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@H]1CCC(=O)O1 ZINC000852186377 588670418 /nfs/dbraw/zinc/67/04/18/588670418.db2.gz DZZNKUQVJPTJOO-ZCFIWIBFSA-N 1 2 227.220 -0.087 20 0 BBADLO CON(C)C(=O)CC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000852186568 588670563 /nfs/dbraw/zinc/67/05/63/588670563.db2.gz GSDCCMXRXZCHHS-UHFFFAOYSA-N 1 2 244.251 -0.383 20 0 BBADLO CON(C)C(=O)CC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000852186568 588670562 /nfs/dbraw/zinc/67/05/62/588670562.db2.gz GSDCCMXRXZCHHS-UHFFFAOYSA-N 1 2 244.251 -0.383 20 0 BBADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@@H](O)C1CC1 ZINC000852186853 588670503 /nfs/dbraw/zinc/67/05/03/588670503.db2.gz JTYQWBOTYBHMNG-SSDOTTSWSA-N 1 2 213.237 -0.022 20 0 BBADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@@H](O)C1CC1 ZINC000852186853 588670502 /nfs/dbraw/zinc/67/05/02/588670502.db2.gz JTYQWBOTYBHMNG-SSDOTTSWSA-N 1 2 213.237 -0.022 20 0 BBADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@H](O)C1CC1 ZINC000852186854 588670431 /nfs/dbraw/zinc/67/04/31/588670431.db2.gz JTYQWBOTYBHMNG-ZETCQYMHSA-N 1 2 213.237 -0.022 20 0 BBADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@H](O)C1CC1 ZINC000852186854 588670430 /nfs/dbraw/zinc/67/04/30/588670430.db2.gz JTYQWBOTYBHMNG-ZETCQYMHSA-N 1 2 213.237 -0.022 20 0 BBADLO COC(C[N@@H+](C)Cc1n[nH]c(=O)o1)OC ZINC000852187705 588670818 /nfs/dbraw/zinc/67/08/18/588670818.db2.gz AUVAPXGCFSKQLQ-UHFFFAOYSA-N 1 2 217.225 -0.174 20 0 BBADLO COC(C[N@H+](C)Cc1n[nH]c(=O)o1)OC ZINC000852187705 588670817 /nfs/dbraw/zinc/67/08/17/588670817.db2.gz AUVAPXGCFSKQLQ-UHFFFAOYSA-N 1 2 217.225 -0.174 20 0 BBADLO C[N@@H+](CCC1OCCO1)Cc1n[nH]c(=O)o1 ZINC000852188628 588671005 /nfs/dbraw/zinc/67/10/05/588671005.db2.gz KVCFLKVFMQVPIH-UHFFFAOYSA-N 1 2 229.236 -0.030 20 0 BBADLO C[N@H+](CCC1OCCO1)Cc1n[nH]c(=O)o1 ZINC000852188628 588671004 /nfs/dbraw/zinc/67/10/04/588671004.db2.gz KVCFLKVFMQVPIH-UHFFFAOYSA-N 1 2 229.236 -0.030 20 0 BBADLO C[N@@H+](Cc1n[nH]c(=O)o1)[C@@H]1CCC(=O)NC1=O ZINC000852188882 588670980 /nfs/dbraw/zinc/67/09/80/588670980.db2.gz PTWHZUDMDWRULV-RXMQYKEDSA-N 1 2 240.219 -0.988 20 0 BBADLO C[N@H+](Cc1n[nH]c(=O)o1)[C@@H]1CCC(=O)NC1=O ZINC000852188882 588670979 /nfs/dbraw/zinc/67/09/79/588670979.db2.gz PTWHZUDMDWRULV-RXMQYKEDSA-N 1 2 240.219 -0.988 20 0 BBADLO C[N@@H+](Cc1n[nH]c(=O)o1)[C@H]1CCC(=O)NC1=O ZINC000852188883 588671218 /nfs/dbraw/zinc/67/12/18/588671218.db2.gz PTWHZUDMDWRULV-YFKPBYRVSA-N 1 2 240.219 -0.988 20 0 BBADLO C[N@H+](Cc1n[nH]c(=O)o1)[C@H]1CCC(=O)NC1=O ZINC000852188883 588671217 /nfs/dbraw/zinc/67/12/17/588671217.db2.gz PTWHZUDMDWRULV-YFKPBYRVSA-N 1 2 240.219 -0.988 20 0 BBADLO C[N@@H+](CCN1CCOC1=O)Cc1n[nH]c(=O)o1 ZINC000852191349 588670876 /nfs/dbraw/zinc/67/08/76/588670876.db2.gz LAFQWNYWJFGTAL-UHFFFAOYSA-N 1 2 242.235 -0.341 20 0 BBADLO C[N@H+](CCN1CCOC1=O)Cc1n[nH]c(=O)o1 ZINC000852191349 588670875 /nfs/dbraw/zinc/67/08/75/588670875.db2.gz LAFQWNYWJFGTAL-UHFFFAOYSA-N 1 2 242.235 -0.341 20 0 BBADLO Cn1cnc(C[NH+]2CC(C)(C(N)=O)C2)c1 ZINC000852204349 645471741 /nfs/dbraw/zinc/47/17/41/645471741.db2.gz NHQWCPNHEPHWFB-UHFFFAOYSA-N 1 2 208.265 -0.273 20 0 BBADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2cnon2)C1 ZINC000852207778 588672397 /nfs/dbraw/zinc/67/23/97/588672397.db2.gz AQQOVZOKKJRKHR-APPZFPTMSA-N 1 2 241.247 -0.575 20 0 BBADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cnon2)C1 ZINC000852207778 588672396 /nfs/dbraw/zinc/67/23/96/588672396.db2.gz AQQOVZOKKJRKHR-APPZFPTMSA-N 1 2 241.247 -0.575 20 0 BBADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2cnon2)C1 ZINC000852207779 588672093 /nfs/dbraw/zinc/67/20/93/588672093.db2.gz AQQOVZOKKJRKHR-CBAPKCEASA-N 1 2 241.247 -0.575 20 0 BBADLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cnon2)C1 ZINC000852207779 588672092 /nfs/dbraw/zinc/67/20/92/588672092.db2.gz AQQOVZOKKJRKHR-CBAPKCEASA-N 1 2 241.247 -0.575 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2cnon2)C1 ZINC000852207780 588672373 /nfs/dbraw/zinc/67/23/73/588672373.db2.gz AQQOVZOKKJRKHR-IONNQARKSA-N 1 2 241.247 -0.575 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cnon2)C1 ZINC000852207780 588672372 /nfs/dbraw/zinc/67/23/72/588672372.db2.gz AQQOVZOKKJRKHR-IONNQARKSA-N 1 2 241.247 -0.575 20 0 BBADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2cnon2)C1 ZINC000852207781 588672052 /nfs/dbraw/zinc/67/20/52/588672052.db2.gz AQQOVZOKKJRKHR-VXNVDRBHSA-N 1 2 241.247 -0.575 20 0 BBADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cnon2)C1 ZINC000852207781 588672051 /nfs/dbraw/zinc/67/20/51/588672051.db2.gz AQQOVZOKKJRKHR-VXNVDRBHSA-N 1 2 241.247 -0.575 20 0 BBADLO O=C1N[C@@H]2C[N@@H+](Cc3cnon3)CC[C@H]2CO1 ZINC000852209979 588672229 /nfs/dbraw/zinc/67/22/29/588672229.db2.gz XZPBSQALEIJNHW-IONNQARKSA-N 1 2 238.247 0.000 20 0 BBADLO O=C1N[C@@H]2C[N@H+](Cc3cnon3)CC[C@H]2CO1 ZINC000852209979 588672228 /nfs/dbraw/zinc/67/22/28/588672228.db2.gz XZPBSQALEIJNHW-IONNQARKSA-N 1 2 238.247 0.000 20 0 BBADLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cnon1 ZINC000852211573 588672559 /nfs/dbraw/zinc/67/25/59/588672559.db2.gz MVXDPZABHJVKCV-DTWKUNHWSA-N 1 2 213.237 -0.349 20 0 BBADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cnon1 ZINC000852211573 588672558 /nfs/dbraw/zinc/67/25/58/588672558.db2.gz MVXDPZABHJVKCV-DTWKUNHWSA-N 1 2 213.237 -0.349 20 0 BBADLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cnon1 ZINC000852211575 588672469 /nfs/dbraw/zinc/67/24/69/588672469.db2.gz MVXDPZABHJVKCV-RKDXNWHRSA-N 1 2 213.237 -0.349 20 0 BBADLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cnon1 ZINC000852211575 588672468 /nfs/dbraw/zinc/67/24/68/588672468.db2.gz MVXDPZABHJVKCV-RKDXNWHRSA-N 1 2 213.237 -0.349 20 0 BBADLO NC(=O)[C@@]1([NH2+]Cc2cccc(F)n2)CCOC1 ZINC000852217607 588673706 /nfs/dbraw/zinc/67/37/06/588673706.db2.gz HRYVZTXSYRQWIG-LLVKDONJSA-N 1 2 239.250 -0.045 20 0 BBADLO NC(=O)[C@]1([NH2+]Cc2cccc(F)n2)CCOC1 ZINC000852217608 588673807 /nfs/dbraw/zinc/67/38/07/588673807.db2.gz HRYVZTXSYRQWIG-NSHDSACASA-N 1 2 239.250 -0.045 20 0 BBADLO CON(C)C(=O)CN(C)Cc1c[nH]c[nH+]1 ZINC000852288473 588676106 /nfs/dbraw/zinc/67/61/06/588676106.db2.gz NYHOBYNKLXHYRV-UHFFFAOYSA-N 1 2 212.253 -0.139 20 0 BBADLO CON(C)C(=O)CN(C)Cc1c[nH+]c[nH]1 ZINC000852288473 588676105 /nfs/dbraw/zinc/67/61/05/588676105.db2.gz NYHOBYNKLXHYRV-UHFFFAOYSA-N 1 2 212.253 -0.139 20 0 BBADLO C[C@@]1(C2CC2)C[N@@H+](CCS(N)(=O)=O)CCO1 ZINC000852323758 588678712 /nfs/dbraw/zinc/67/87/12/588678712.db2.gz MOJFGZFJSGUBMT-JTQLQIEISA-N 1 2 248.348 -0.224 20 0 BBADLO C[C@@]1(C2CC2)C[N@H+](CCS(N)(=O)=O)CCO1 ZINC000852323758 588678711 /nfs/dbraw/zinc/67/87/11/588678711.db2.gz MOJFGZFJSGUBMT-JTQLQIEISA-N 1 2 248.348 -0.224 20 0 BBADLO C[C@]1(C2CC2)C[N@@H+](CCS(N)(=O)=O)CCO1 ZINC000852323884 588678902 /nfs/dbraw/zinc/67/89/02/588678902.db2.gz MOJFGZFJSGUBMT-SNVBAGLBSA-N 1 2 248.348 -0.224 20 0 BBADLO C[C@]1(C2CC2)C[N@H+](CCS(N)(=O)=O)CCO1 ZINC000852323884 588678901 /nfs/dbraw/zinc/67/89/01/588678901.db2.gz MOJFGZFJSGUBMT-SNVBAGLBSA-N 1 2 248.348 -0.224 20 0 BBADLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1nonc1C ZINC000852413979 588681689 /nfs/dbraw/zinc/68/16/89/588681689.db2.gz GMDQXFAHGCHOPK-IONNQARKSA-N 1 2 241.247 -0.202 20 0 BBADLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cnn(C)n1 ZINC000852414095 588681798 /nfs/dbraw/zinc/68/17/98/588681798.db2.gz IWVHFQHZOKVXIM-DTWKUNHWSA-N 1 2 240.263 -0.765 20 0 BBADLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1c[nH]cn1 ZINC000852414194 588681754 /nfs/dbraw/zinc/68/17/54/588681754.db2.gz JYOLOHGHQLWVAE-DTWKUNHWSA-N 1 2 225.248 -0.170 20 0 BBADLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cnsn1 ZINC000852414285 588681568 /nfs/dbraw/zinc/68/15/68/588681568.db2.gz MBVGFNIMFIMIJP-JGVFFNPUSA-N 1 2 243.288 -0.042 20 0 BBADLO COC(=O)C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852433183 588682295 /nfs/dbraw/zinc/68/22/95/588682295.db2.gz UDQNWSYGGRNTMP-MRVPVSSYSA-N 1 2 228.248 -0.314 20 0 BBADLO COC(=O)C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852433183 588682294 /nfs/dbraw/zinc/68/22/94/588682294.db2.gz UDQNWSYGGRNTMP-MRVPVSSYSA-N 1 2 228.248 -0.314 20 0 BBADLO COC(=O)C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852433184 588682433 /nfs/dbraw/zinc/68/24/33/588682433.db2.gz UDQNWSYGGRNTMP-QMMMGPOBSA-N 1 2 228.248 -0.314 20 0 BBADLO COC(=O)C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852433184 588682432 /nfs/dbraw/zinc/68/24/32/588682432.db2.gz UDQNWSYGGRNTMP-QMMMGPOBSA-N 1 2 228.248 -0.314 20 0 BBADLO O=C1OCC[C@@H]1[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852434060 588682419 /nfs/dbraw/zinc/68/24/19/588682419.db2.gz WJWNYNDFFXBOJY-BDAKNGLRSA-N 1 2 240.259 -0.172 20 0 BBADLO O=C1OCC[C@@H]1[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852434060 588682418 /nfs/dbraw/zinc/68/24/18/588682418.db2.gz WJWNYNDFFXBOJY-BDAKNGLRSA-N 1 2 240.259 -0.172 20 0 BBADLO O=C1OCC[C@H]1[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852434062 588682261 /nfs/dbraw/zinc/68/22/61/588682261.db2.gz WJWNYNDFFXBOJY-DTWKUNHWSA-N 1 2 240.259 -0.172 20 0 BBADLO O=C1OCC[C@H]1[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852434062 588682260 /nfs/dbraw/zinc/68/22/60/588682260.db2.gz WJWNYNDFFXBOJY-DTWKUNHWSA-N 1 2 240.259 -0.172 20 0 BBADLO O=C1OCC[C@@H]1[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852434064 588681921 /nfs/dbraw/zinc/68/19/21/588681921.db2.gz WJWNYNDFFXBOJY-IUCAKERBSA-N 1 2 240.259 -0.172 20 0 BBADLO O=C1OCC[C@@H]1[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852434064 588681920 /nfs/dbraw/zinc/68/19/20/588681920.db2.gz WJWNYNDFFXBOJY-IUCAKERBSA-N 1 2 240.259 -0.172 20 0 BBADLO O=C1OCC[C@H]1[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852434066 588682088 /nfs/dbraw/zinc/68/20/88/588682088.db2.gz WJWNYNDFFXBOJY-RKDXNWHRSA-N 1 2 240.259 -0.172 20 0 BBADLO O=C1OCC[C@H]1[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852434066 588682087 /nfs/dbraw/zinc/68/20/87/588682087.db2.gz WJWNYNDFFXBOJY-RKDXNWHRSA-N 1 2 240.259 -0.172 20 0 BBADLO C[C@@H]1COC2(CCC2)C[N@H+]1CCS(N)(=O)=O ZINC000852440476 583014060 /nfs/dbraw/zinc/01/40/60/583014060.db2.gz AAIFFNCUXBACFK-SECBINFHSA-N 1 2 248.348 -0.082 20 0 BBADLO C[C@@H]1COC2(CCC2)C[N@@H+]1CCS(N)(=O)=O ZINC000852440476 583014059 /nfs/dbraw/zinc/01/40/59/583014059.db2.gz AAIFFNCUXBACFK-SECBINFHSA-N 1 2 248.348 -0.082 20 0 BBADLO C[C@H]1COC2(CCC2)C[N@H+]1CCS(N)(=O)=O ZINC000852440477 583013976 /nfs/dbraw/zinc/01/39/76/583013976.db2.gz AAIFFNCUXBACFK-VIFPVBQESA-N 1 2 248.348 -0.082 20 0 BBADLO C[C@H]1COC2(CCC2)C[N@@H+]1CCS(N)(=O)=O ZINC000852440477 583013973 /nfs/dbraw/zinc/01/39/73/583013973.db2.gz AAIFFNCUXBACFK-VIFPVBQESA-N 1 2 248.348 -0.082 20 0 BBADLO C[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@@H](C)C1=O ZINC000852474584 588683225 /nfs/dbraw/zinc/68/32/25/588683225.db2.gz QROMDWGZYIWYTC-HLTSFMKQSA-N 1 2 238.287 -0.052 20 0 BBADLO C[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@@H](C)C1=O ZINC000852474589 588683167 /nfs/dbraw/zinc/68/31/67/588683167.db2.gz QROMDWGZYIWYTC-IWSPIJDZSA-N 1 2 238.287 -0.052 20 0 BBADLO COCC[N@@H+](CCF)CCN1CCNC1=O ZINC000852480216 588682742 /nfs/dbraw/zinc/68/27/42/588682742.db2.gz QUQRCLWGQPEVHJ-UHFFFAOYSA-N 1 2 233.287 -0.071 20 0 BBADLO COCC[N@H+](CCF)CCN1CCNC1=O ZINC000852480216 588682741 /nfs/dbraw/zinc/68/27/41/588682741.db2.gz QUQRCLWGQPEVHJ-UHFFFAOYSA-N 1 2 233.287 -0.071 20 0 BBADLO COCC[N@@H+](CCF)[C@@H]1CCC(=O)NC1=O ZINC000852480811 588682778 /nfs/dbraw/zinc/68/27/78/588682778.db2.gz CTRODQLDLXLRIN-MRVPVSSYSA-N 1 2 232.255 -0.291 20 0 BBADLO COCC[N@H+](CCF)[C@@H]1CCC(=O)NC1=O ZINC000852480811 588682777 /nfs/dbraw/zinc/68/27/77/588682777.db2.gz CTRODQLDLXLRIN-MRVPVSSYSA-N 1 2 232.255 -0.291 20 0 BBADLO COCC[N@@H+](CCF)[C@H]1CCC(=O)NC1=O ZINC000852480813 588682569 /nfs/dbraw/zinc/68/25/69/588682569.db2.gz CTRODQLDLXLRIN-QMMMGPOBSA-N 1 2 232.255 -0.291 20 0 BBADLO COCC[N@H+](CCF)[C@H]1CCC(=O)NC1=O ZINC000852480813 588682568 /nfs/dbraw/zinc/68/25/68/588682568.db2.gz CTRODQLDLXLRIN-QMMMGPOBSA-N 1 2 232.255 -0.291 20 0 BBADLO COCC[N@@H+](CCF)[C@@H]1CCNC1=O ZINC000852483704 588684472 /nfs/dbraw/zinc/68/44/72/588684472.db2.gz PTRZMFATSFHFEL-MRVPVSSYSA-N 1 2 204.245 -0.207 20 0 BBADLO COCC[N@H+](CCF)[C@@H]1CCNC1=O ZINC000852483704 588684471 /nfs/dbraw/zinc/68/44/71/588684471.db2.gz PTRZMFATSFHFEL-MRVPVSSYSA-N 1 2 204.245 -0.207 20 0 BBADLO COCC[N@@H+](CCF)[C@H]1CCNC1=O ZINC000852483711 588684794 /nfs/dbraw/zinc/68/47/94/588684794.db2.gz PTRZMFATSFHFEL-QMMMGPOBSA-N 1 2 204.245 -0.207 20 0 BBADLO COCC[N@H+](CCF)[C@H]1CCNC1=O ZINC000852483711 588684793 /nfs/dbraw/zinc/68/47/93/588684793.db2.gz PTRZMFATSFHFEL-QMMMGPOBSA-N 1 2 204.245 -0.207 20 0 BBADLO COCC[N@@H+](CCF)CCNS(C)(=O)=O ZINC000852483970 588685079 /nfs/dbraw/zinc/68/50/79/588685079.db2.gz VPNGCQMZZOFDTP-UHFFFAOYSA-N 1 2 242.316 -0.547 20 0 BBADLO COCC[N@H+](CCF)CCNS(C)(=O)=O ZINC000852483970 588685078 /nfs/dbraw/zinc/68/50/78/588685078.db2.gz VPNGCQMZZOFDTP-UHFFFAOYSA-N 1 2 242.316 -0.547 20 0 BBADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+](CCF)CCOC ZINC000852484381 588685001 /nfs/dbraw/zinc/68/50/01/588685001.db2.gz BUTOTITZDGZTID-MRVPVSSYSA-N 1 2 249.286 -0.252 20 0 BBADLO CNC(=O)NC(=O)[C@@H](C)[N@H+](CCF)CCOC ZINC000852484381 588685000 /nfs/dbraw/zinc/68/50/00/588685000.db2.gz BUTOTITZDGZTID-MRVPVSSYSA-N 1 2 249.286 -0.252 20 0 BBADLO CNC(=O)NC(=O)[C@H](C)[N@@H+](CCF)CCOC ZINC000852484382 588684888 /nfs/dbraw/zinc/68/48/88/588684888.db2.gz BUTOTITZDGZTID-QMMMGPOBSA-N 1 2 249.286 -0.252 20 0 BBADLO CNC(=O)NC(=O)[C@H](C)[N@H+](CCF)CCOC ZINC000852484382 588684887 /nfs/dbraw/zinc/68/48/87/588684887.db2.gz BUTOTITZDGZTID-QMMMGPOBSA-N 1 2 249.286 -0.252 20 0 BBADLO CCNC(=O)NC(=O)C[N@@H+](CCF)CCOC ZINC000852484465 588685169 /nfs/dbraw/zinc/68/51/69/588685169.db2.gz FDYCREKEJRKOKA-UHFFFAOYSA-N 1 2 249.286 -0.250 20 0 BBADLO CCNC(=O)NC(=O)C[N@H+](CCF)CCOC ZINC000852484465 588685168 /nfs/dbraw/zinc/68/51/68/588685168.db2.gz FDYCREKEJRKOKA-UHFFFAOYSA-N 1 2 249.286 -0.250 20 0 BBADLO COCC[N@@H+](CCF)CC(=O)NC(N)=O ZINC000852484597 588684998 /nfs/dbraw/zinc/68/49/98/588684998.db2.gz JDLXOZWTYIUQBV-UHFFFAOYSA-N 1 2 221.232 -0.901 20 0 BBADLO COCC[N@H+](CCF)CC(=O)NC(N)=O ZINC000852484597 588684997 /nfs/dbraw/zinc/68/49/97/588684997.db2.gz JDLXOZWTYIUQBV-UHFFFAOYSA-N 1 2 221.232 -0.901 20 0 BBADLO COCC[N@@H+](CCF)CC(=O)N1CCOCC1 ZINC000852484625 588685211 /nfs/dbraw/zinc/68/52/11/588685211.db2.gz JXKUAQLUSBFQRE-UHFFFAOYSA-N 1 2 248.298 -0.237 20 0 BBADLO COCC[N@H+](CCF)CC(=O)N1CCOCC1 ZINC000852484625 588685210 /nfs/dbraw/zinc/68/52/10/588685210.db2.gz JXKUAQLUSBFQRE-UHFFFAOYSA-N 1 2 248.298 -0.237 20 0 BBADLO COCC[N@@H+](CCF)[C@H](C)C(=O)NC(N)=O ZINC000852484626 588684852 /nfs/dbraw/zinc/68/48/52/588684852.db2.gz JYHOJOXISGAORY-SSDOTTSWSA-N 1 2 235.259 -0.512 20 0 BBADLO COCC[N@H+](CCF)[C@H](C)C(=O)NC(N)=O ZINC000852484626 588684851 /nfs/dbraw/zinc/68/48/51/588684851.db2.gz JYHOJOXISGAORY-SSDOTTSWSA-N 1 2 235.259 -0.512 20 0 BBADLO COCC[N@@H+](CCF)[C@@H](C)C(=O)NC(N)=O ZINC000852484627 588684862 /nfs/dbraw/zinc/68/48/62/588684862.db2.gz JYHOJOXISGAORY-ZETCQYMHSA-N 1 2 235.259 -0.512 20 0 BBADLO COCC[N@H+](CCF)[C@@H](C)C(=O)NC(N)=O ZINC000852484627 588684861 /nfs/dbraw/zinc/68/48/61/588684861.db2.gz JYHOJOXISGAORY-ZETCQYMHSA-N 1 2 235.259 -0.512 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+](CCF)CCOC ZINC000852484855 588685013 /nfs/dbraw/zinc/68/50/13/588685013.db2.gz NNHBMSOOUACAQB-UHFFFAOYSA-N 1 2 235.259 -0.640 20 0 BBADLO CNC(=O)NC(=O)C[N@H+](CCF)CCOC ZINC000852484855 588685012 /nfs/dbraw/zinc/68/50/12/588685012.db2.gz NNHBMSOOUACAQB-UHFFFAOYSA-N 1 2 235.259 -0.640 20 0 BBADLO C[N@@H+](CCS(C)(=O)=O)C[C@@H]1COCCO1 ZINC000852494499 588685325 /nfs/dbraw/zinc/68/53/25/588685325.db2.gz DBMLOZJSPMXNNQ-SECBINFHSA-N 1 2 237.321 -0.622 20 0 BBADLO C[N@H+](CCS(C)(=O)=O)C[C@@H]1COCCO1 ZINC000852494499 588685324 /nfs/dbraw/zinc/68/53/24/588685324.db2.gz DBMLOZJSPMXNNQ-SECBINFHSA-N 1 2 237.321 -0.622 20 0 BBADLO C[N@@H+](CCS(C)(=O)=O)C[C@H]1COCCO1 ZINC000852494503 588685542 /nfs/dbraw/zinc/68/55/42/588685542.db2.gz DBMLOZJSPMXNNQ-VIFPVBQESA-N 1 2 237.321 -0.622 20 0 BBADLO C[N@H+](CCS(C)(=O)=O)C[C@H]1COCCO1 ZINC000852494503 588685541 /nfs/dbraw/zinc/68/55/41/588685541.db2.gz DBMLOZJSPMXNNQ-VIFPVBQESA-N 1 2 237.321 -0.622 20 0 BBADLO CON(C)C(=O)C[N@@H+](C)C[C@@H]1COCCO1 ZINC000852496069 588685670 /nfs/dbraw/zinc/68/56/70/588685670.db2.gz OVLHEGKXTJZTMD-SECBINFHSA-N 1 2 232.280 -0.647 20 0 BBADLO CON(C)C(=O)C[N@H+](C)C[C@@H]1COCCO1 ZINC000852496069 588685669 /nfs/dbraw/zinc/68/56/69/588685669.db2.gz OVLHEGKXTJZTMD-SECBINFHSA-N 1 2 232.280 -0.647 20 0 BBADLO CON(C)C(=O)C[N@@H+](C)C[C@H]1COCCO1 ZINC000852496070 588685968 /nfs/dbraw/zinc/68/59/68/588685968.db2.gz OVLHEGKXTJZTMD-VIFPVBQESA-N 1 2 232.280 -0.647 20 0 BBADLO CON(C)C(=O)C[N@H+](C)C[C@H]1COCCO1 ZINC000852496070 588685967 /nfs/dbraw/zinc/68/59/67/588685967.db2.gz OVLHEGKXTJZTMD-VIFPVBQESA-N 1 2 232.280 -0.647 20 0 BBADLO C[N@@H+](C[C@@H]1COCCO1)[C@H]1CCOC1=O ZINC000852497222 588685938 /nfs/dbraw/zinc/68/59/38/588685938.db2.gz WKYUEQOEBMETEV-BDAKNGLRSA-N 1 2 215.249 -0.351 20 0 BBADLO C[N@H+](C[C@@H]1COCCO1)[C@H]1CCOC1=O ZINC000852497222 588685937 /nfs/dbraw/zinc/68/59/37/588685937.db2.gz WKYUEQOEBMETEV-BDAKNGLRSA-N 1 2 215.249 -0.351 20 0 BBADLO C[N@@H+](C[C@H]1COCCO1)[C@@H]1CCOC1=O ZINC000852497224 588685762 /nfs/dbraw/zinc/68/57/62/588685762.db2.gz WKYUEQOEBMETEV-DTWKUNHWSA-N 1 2 215.249 -0.351 20 0 BBADLO C[N@H+](C[C@H]1COCCO1)[C@@H]1CCOC1=O ZINC000852497224 588685761 /nfs/dbraw/zinc/68/57/61/588685761.db2.gz WKYUEQOEBMETEV-DTWKUNHWSA-N 1 2 215.249 -0.351 20 0 BBADLO C[N@@H+](C[C@H]1COCCO1)[C@H]1CCOC1=O ZINC000852497226 588685746 /nfs/dbraw/zinc/68/57/46/588685746.db2.gz WKYUEQOEBMETEV-IUCAKERBSA-N 1 2 215.249 -0.351 20 0 BBADLO C[N@H+](C[C@H]1COCCO1)[C@H]1CCOC1=O ZINC000852497226 588685745 /nfs/dbraw/zinc/68/57/45/588685745.db2.gz WKYUEQOEBMETEV-IUCAKERBSA-N 1 2 215.249 -0.351 20 0 BBADLO C[N@@H+](C[C@@H]1COCCO1)[C@@H]1CCOC1=O ZINC000852497229 588685851 /nfs/dbraw/zinc/68/58/51/588685851.db2.gz WKYUEQOEBMETEV-RKDXNWHRSA-N 1 2 215.249 -0.351 20 0 BBADLO C[N@H+](C[C@@H]1COCCO1)[C@@H]1CCOC1=O ZINC000852497229 588685850 /nfs/dbraw/zinc/68/58/50/588685850.db2.gz WKYUEQOEBMETEV-RKDXNWHRSA-N 1 2 215.249 -0.351 20 0 BBADLO Cn1ncc(C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)n1 ZINC000852498004 588686033 /nfs/dbraw/zinc/68/60/33/588686033.db2.gz YPOWWAZMJWPHLF-GXSJLCMTSA-N 1 2 249.318 -0.084 20 0 BBADLO Cn1ncc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)n1 ZINC000852498004 588686032 /nfs/dbraw/zinc/68/60/32/588686032.db2.gz YPOWWAZMJWPHLF-GXSJLCMTSA-N 1 2 249.318 -0.084 20 0 BBADLO Cn1ncc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)n1 ZINC000852498007 588686070 /nfs/dbraw/zinc/68/60/70/588686070.db2.gz YPOWWAZMJWPHLF-KOLCDFICSA-N 1 2 249.318 -0.084 20 0 BBADLO Cn1ncc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)n1 ZINC000852498007 588686069 /nfs/dbraw/zinc/68/60/69/588686069.db2.gz YPOWWAZMJWPHLF-KOLCDFICSA-N 1 2 249.318 -0.084 20 0 BBADLO Cn1ncc(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)n1 ZINC000852498008 588685843 /nfs/dbraw/zinc/68/58/43/588685843.db2.gz YPOWWAZMJWPHLF-MWLCHTKSSA-N 1 2 249.318 -0.084 20 0 BBADLO Cn1ncc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)n1 ZINC000852498008 588685842 /nfs/dbraw/zinc/68/58/42/588685842.db2.gz YPOWWAZMJWPHLF-MWLCHTKSSA-N 1 2 249.318 -0.084 20 0 BBADLO Cn1ncc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)n1 ZINC000852498009 588685914 /nfs/dbraw/zinc/68/59/14/588685914.db2.gz YPOWWAZMJWPHLF-ONGXEEELSA-N 1 2 249.318 -0.084 20 0 BBADLO Cn1ncc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)n1 ZINC000852498009 588685913 /nfs/dbraw/zinc/68/59/13/588685913.db2.gz YPOWWAZMJWPHLF-ONGXEEELSA-N 1 2 249.318 -0.084 20 0 BBADLO Cn1ncc(C[N@@H+](C)C[C@H]2COCCO2)n1 ZINC000852498370 588686040 /nfs/dbraw/zinc/68/60/40/588686040.db2.gz GEJIZUHVKNSDBN-JTQLQIEISA-N 1 2 226.280 -0.338 20 0 BBADLO Cn1ncc(C[N@H+](C)C[C@H]2COCCO2)n1 ZINC000852498370 588686039 /nfs/dbraw/zinc/68/60/39/588686039.db2.gz GEJIZUHVKNSDBN-JTQLQIEISA-N 1 2 226.280 -0.338 20 0 BBADLO Cn1ncc(C[N@@H+](C)C[C@@H]2COCCO2)n1 ZINC000852498371 588685854 /nfs/dbraw/zinc/68/58/54/588685854.db2.gz GEJIZUHVKNSDBN-SNVBAGLBSA-N 1 2 226.280 -0.338 20 0 BBADLO Cn1ncc(C[N@H+](C)C[C@@H]2COCCO2)n1 ZINC000852498371 588685853 /nfs/dbraw/zinc/68/58/53/588685853.db2.gz GEJIZUHVKNSDBN-SNVBAGLBSA-N 1 2 226.280 -0.338 20 0 BBADLO C[N@H+](Cc1cnon1)C[C@@H]1COCCO1 ZINC000852499029 588685889 /nfs/dbraw/zinc/68/58/89/588685889.db2.gz XCCYJLNPKFUDKN-SECBINFHSA-N 1 2 213.237 -0.083 20 0 BBADLO C[N@@H+](Cc1cnon1)C[C@@H]1COCCO1 ZINC000852499029 588685888 /nfs/dbraw/zinc/68/58/88/588685888.db2.gz XCCYJLNPKFUDKN-SECBINFHSA-N 1 2 213.237 -0.083 20 0 BBADLO C[N@H+](Cc1cnon1)C[C@H]1COCCO1 ZINC000852499030 588685878 /nfs/dbraw/zinc/68/58/78/588685878.db2.gz XCCYJLNPKFUDKN-VIFPVBQESA-N 1 2 213.237 -0.083 20 0 BBADLO C[N@@H+](Cc1cnon1)C[C@H]1COCCO1 ZINC000852499030 588685877 /nfs/dbraw/zinc/68/58/77/588685877.db2.gz XCCYJLNPKFUDKN-VIFPVBQESA-N 1 2 213.237 -0.083 20 0 BBADLO CC(=O)CC[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000852531470 588686321 /nfs/dbraw/zinc/68/63/21/588686321.db2.gz NUXBCTWWMOYEJT-SECBINFHSA-N 1 2 248.348 -0.069 20 0 BBADLO CC(=O)CC[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000852531470 588686320 /nfs/dbraw/zinc/68/63/20/588686320.db2.gz NUXBCTWWMOYEJT-SECBINFHSA-N 1 2 248.348 -0.069 20 0 BBADLO Cn1ncc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000852537487 588689058 /nfs/dbraw/zinc/68/90/58/588689058.db2.gz FVKOMSVIMJWCTL-WCBMZHEXSA-N 1 2 208.265 -0.228 20 0 BBADLO Cn1ncc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000852537487 588689057 /nfs/dbraw/zinc/68/90/57/588689057.db2.gz FVKOMSVIMJWCTL-WCBMZHEXSA-N 1 2 208.265 -0.228 20 0 BBADLO CON(C)C(=O)CC[N@@H+](C)Cc1cn(C)nn1 ZINC000852552848 588689644 /nfs/dbraw/zinc/68/96/44/588689644.db2.gz HHAROVGGLSRSDK-UHFFFAOYSA-N 1 2 241.295 -0.343 20 0 BBADLO CON(C)C(=O)CC[N@H+](C)Cc1cn(C)nn1 ZINC000852552848 588689643 /nfs/dbraw/zinc/68/96/43/588689643.db2.gz HHAROVGGLSRSDK-UHFFFAOYSA-N 1 2 241.295 -0.343 20 0 BBADLO COC(=O)N(C)CC[N@@H+](C)Cc1cnnn1C ZINC000852568455 588691413 /nfs/dbraw/zinc/69/14/13/588691413.db2.gz FWINITDQXWKMES-UHFFFAOYSA-N 1 2 241.295 -0.055 20 0 BBADLO COC(=O)N(C)CC[N@H+](C)Cc1cnnn1C ZINC000852568455 588691412 /nfs/dbraw/zinc/69/14/12/588691412.db2.gz FWINITDQXWKMES-UHFFFAOYSA-N 1 2 241.295 -0.055 20 0 BBADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)OC ZINC000852568604 588691365 /nfs/dbraw/zinc/69/13/65/588691365.db2.gz LACXPQAAINJOTE-UHFFFAOYSA-N 1 2 217.269 -0.638 20 0 BBADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)OC ZINC000852568604 588691364 /nfs/dbraw/zinc/69/13/64/588691364.db2.gz LACXPQAAINJOTE-UHFFFAOYSA-N 1 2 217.269 -0.638 20 0 BBADLO COC(=O)N(C)CC[N@H+](C)CC(=O)N(C)OC ZINC000852569259 588691191 /nfs/dbraw/zinc/69/11/91/588691191.db2.gz JWBMKSUNGCQGRI-UHFFFAOYSA-N 1 2 247.295 -0.364 20 0 BBADLO COC(=O)N(C)CC[N@@H+](C)CC(=O)N(C)OC ZINC000852569259 588691190 /nfs/dbraw/zinc/69/11/90/588691190.db2.gz JWBMKSUNGCQGRI-UHFFFAOYSA-N 1 2 247.295 -0.364 20 0 BBADLO COC(=O)N(C)CC[N@@H+](C)Cc1cn(C)nn1 ZINC000852570824 588691345 /nfs/dbraw/zinc/69/13/45/588691345.db2.gz ZNCNBMBNEOWLNJ-UHFFFAOYSA-N 1 2 241.295 -0.055 20 0 BBADLO COC(=O)N(C)CC[N@H+](C)Cc1cn(C)nn1 ZINC000852570824 588691344 /nfs/dbraw/zinc/69/13/44/588691344.db2.gz ZNCNBMBNEOWLNJ-UHFFFAOYSA-N 1 2 241.295 -0.055 20 0 BBADLO COC(=O)N(C)CC[N@@H+](C)[C@@H]1CCOC1=O ZINC000852571528 588691399 /nfs/dbraw/zinc/69/13/99/588691399.db2.gz UMTRADGHOABHMO-MRVPVSSYSA-N 1 2 230.264 -0.068 20 0 BBADLO COC(=O)N(C)CC[N@H+](C)[C@@H]1CCOC1=O ZINC000852571528 588691398 /nfs/dbraw/zinc/69/13/98/588691398.db2.gz UMTRADGHOABHMO-MRVPVSSYSA-N 1 2 230.264 -0.068 20 0 BBADLO COC(=O)N(C)CC[N@@H+](C)[C@H]1CCOC1=O ZINC000852571529 588691030 /nfs/dbraw/zinc/69/10/30/588691030.db2.gz UMTRADGHOABHMO-QMMMGPOBSA-N 1 2 230.264 -0.068 20 0 BBADLO COC(=O)N(C)CC[N@H+](C)[C@H]1CCOC1=O ZINC000852571529 588691029 /nfs/dbraw/zinc/69/10/29/588691029.db2.gz UMTRADGHOABHMO-QMMMGPOBSA-N 1 2 230.264 -0.068 20 0 BBADLO COC(=O)N(C)CC[N@@H+](C)CC(=O)NC1CC1 ZINC000852573056 588691457 /nfs/dbraw/zinc/69/14/57/588691457.db2.gz FDHNHJLUUFQZNV-UHFFFAOYSA-N 1 2 243.307 -0.105 20 0 BBADLO COC(=O)N(C)CC[N@H+](C)CC(=O)NC1CC1 ZINC000852573056 588691456 /nfs/dbraw/zinc/69/14/56/588691456.db2.gz FDHNHJLUUFQZNV-UHFFFAOYSA-N 1 2 243.307 -0.105 20 0 BBADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)OC ZINC000852573526 588691466 /nfs/dbraw/zinc/69/14/66/588691466.db2.gz NRFFANVFTLLAOO-UHFFFAOYSA-N 1 2 231.296 -0.248 20 0 BBADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)OC ZINC000852573526 588691465 /nfs/dbraw/zinc/69/14/65/588691465.db2.gz NRFFANVFTLLAOO-UHFFFAOYSA-N 1 2 231.296 -0.248 20 0 BBADLO CN1CC[N@@H+](CC2OCCO2)CCC1=O ZINC000852577229 588691246 /nfs/dbraw/zinc/69/12/46/588691246.db2.gz AKTPFFYFQADRAF-UHFFFAOYSA-N 1 2 214.265 -0.477 20 0 BBADLO CN1CC[N@H+](CC2OCCO2)CCC1=O ZINC000852577229 588691245 /nfs/dbraw/zinc/69/12/45/588691245.db2.gz AKTPFFYFQADRAF-UHFFFAOYSA-N 1 2 214.265 -0.477 20 0 BBADLO CCn1ncc(C[N@@H+]2CCC(=O)N(C)CC2)n1 ZINC000852578305 588691718 /nfs/dbraw/zinc/69/17/18/588691718.db2.gz IGRPUQIZDFLCGA-UHFFFAOYSA-N 1 2 237.307 -0.038 20 0 BBADLO CCn1ncc(C[N@H+]2CCC(=O)N(C)CC2)n1 ZINC000852578305 588691717 /nfs/dbraw/zinc/69/17/17/588691717.db2.gz IGRPUQIZDFLCGA-UHFFFAOYSA-N 1 2 237.307 -0.038 20 0 BBADLO CN1CC[N@H+]([C@@H]2CCOC2=O)CCC1=O ZINC000852580989 588691966 /nfs/dbraw/zinc/69/19/66/588691966.db2.gz RDDVZZYVOGZNAK-MRVPVSSYSA-N 1 2 212.249 -0.534 20 0 BBADLO CN1CC[N@@H+]([C@@H]2CCOC2=O)CCC1=O ZINC000852580989 588691965 /nfs/dbraw/zinc/69/19/65/588691965.db2.gz RDDVZZYVOGZNAK-MRVPVSSYSA-N 1 2 212.249 -0.534 20 0 BBADLO CN1CC[N@H+]([C@H]2CCOC2=O)CCC1=O ZINC000852580991 588692046 /nfs/dbraw/zinc/69/20/46/588692046.db2.gz RDDVZZYVOGZNAK-QMMMGPOBSA-N 1 2 212.249 -0.534 20 0 BBADLO CN1CC[N@@H+]([C@H]2CCOC2=O)CCC1=O ZINC000852580991 588692045 /nfs/dbraw/zinc/69/20/45/588692045.db2.gz RDDVZZYVOGZNAK-QMMMGPOBSA-N 1 2 212.249 -0.534 20 0 BBADLO CCS(=O)(=O)CC[N@@H+]1CCC(=O)N(C)CC1 ZINC000852581205 588692114 /nfs/dbraw/zinc/69/21/14/588692114.db2.gz SRQYHLKVQIILBS-UHFFFAOYSA-N 1 2 248.348 -0.415 20 0 BBADLO CCS(=O)(=O)CC[N@H+]1CCC(=O)N(C)CC1 ZINC000852581205 588692113 /nfs/dbraw/zinc/69/21/13/588692113.db2.gz SRQYHLKVQIILBS-UHFFFAOYSA-N 1 2 248.348 -0.415 20 0 BBADLO CN1CC[N@@H+](CCS(C)(=O)=O)CCC1=O ZINC000852581822 588691860 /nfs/dbraw/zinc/69/18/60/588691860.db2.gz XMCBWIOSBFPSFU-UHFFFAOYSA-N 1 2 234.321 -0.805 20 0 BBADLO CN1CC[N@H+](CCS(C)(=O)=O)CCC1=O ZINC000852581822 588691859 /nfs/dbraw/zinc/69/18/59/588691859.db2.gz XMCBWIOSBFPSFU-UHFFFAOYSA-N 1 2 234.321 -0.805 20 0 BBADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC000852594758 588692625 /nfs/dbraw/zinc/69/26/25/588692625.db2.gz ZJXNSZDMICCZGA-YIZRAAEISA-N 1 2 237.296 -0.300 20 0 BBADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CCF)C[C@H]21 ZINC000852594758 588692624 /nfs/dbraw/zinc/69/26/24/588692624.db2.gz ZJXNSZDMICCZGA-YIZRAAEISA-N 1 2 237.296 -0.300 20 0 BBADLO CC(C)COC(=O)C[N@H+]1CCC(CO)(CO)C1 ZINC000852629243 588693187 /nfs/dbraw/zinc/69/31/87/588693187.db2.gz HLNAYRICCIJMBV-UHFFFAOYSA-N 1 2 245.319 -0.138 20 0 BBADLO CC(C)COC(=O)C[N@@H+]1CCC(CO)(CO)C1 ZINC000852629243 588693186 /nfs/dbraw/zinc/69/31/86/588693186.db2.gz HLNAYRICCIJMBV-UHFFFAOYSA-N 1 2 245.319 -0.138 20 0 BBADLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)CCS(C)(=O)=O)C1 ZINC000852694327 588696455 /nfs/dbraw/zinc/69/64/55/588696455.db2.gz LTPHRWREPREFLK-DTORHVGOSA-N 1 2 249.332 -0.086 20 0 BBADLO COC(=O)[C@H]1C[C@@H]([N@H+](C)CCS(C)(=O)=O)C1 ZINC000852694327 588696454 /nfs/dbraw/zinc/69/64/54/588696454.db2.gz LTPHRWREPREFLK-DTORHVGOSA-N 1 2 249.332 -0.086 20 0 BBADLO COC(=O)C[NH+]1CCC(NC(=O)OC)CC1 ZINC000852764490 588701114 /nfs/dbraw/zinc/70/11/14/588701114.db2.gz HDTCTMXBOPVGEW-UHFFFAOYSA-N 1 2 230.264 -0.020 20 0 BBADLO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NO[C@H]1CCCCO1 ZINC000852856403 588708722 /nfs/dbraw/zinc/70/87/22/588708722.db2.gz PILUFBYZYZWTDB-GUBZILKMSA-N 1 2 244.291 -0.075 20 0 BBADLO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NO[C@@H]1CCCCO1 ZINC000852856404 588708995 /nfs/dbraw/zinc/70/89/95/588708995.db2.gz PILUFBYZYZWTDB-KXUCPTDWSA-N 1 2 244.291 -0.075 20 0 BBADLO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NO[C@@H]1CCCCO1 ZINC000852856405 588708806 /nfs/dbraw/zinc/70/88/06/588708806.db2.gz PILUFBYZYZWTDB-LPEHRKFASA-N 1 2 244.291 -0.075 20 0 BBADLO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NO[C@H]1CCCCO1 ZINC000852856406 588708732 /nfs/dbraw/zinc/70/87/32/588708732.db2.gz PILUFBYZYZWTDB-UTLUCORTSA-N 1 2 244.291 -0.075 20 0 BBADLO CC[C@@H](O)C[NH+]1CC2(C1)CN(C)C(=O)O2 ZINC000853064427 588718624 /nfs/dbraw/zinc/71/86/24/588718624.db2.gz NOUUSRGLIAEWQR-MRVPVSSYSA-N 1 2 214.265 -0.106 20 0 BBADLO CC[C@@H](O)C[NH+]1CC2(C1)CNC(=O)O2 ZINC000853065256 588718805 /nfs/dbraw/zinc/71/88/05/588718805.db2.gz VPGWYSPAUUQTTD-SSDOTTSWSA-N 1 2 200.238 -0.449 20 0 BBADLO CON(C)CCNC(=O)NCCn1cc[nH+]c1 ZINC000853237206 588728316 /nfs/dbraw/zinc/72/83/16/588728316.db2.gz UUSIQZKJHVITOD-UHFFFAOYSA-N 1 2 241.295 -0.325 20 0 BBADLO CNC(=O)CCC[N@@H+](C)Cn1nc(C)oc1=O ZINC000853504333 588746614 /nfs/dbraw/zinc/74/66/14/588746614.db2.gz PXHNGAOZBSYTJJ-UHFFFAOYSA-N 1 2 242.279 -0.440 20 0 BBADLO CNC(=O)CCC[N@H+](C)Cn1nc(C)oc1=O ZINC000853504333 588746613 /nfs/dbraw/zinc/74/66/13/588746613.db2.gz PXHNGAOZBSYTJJ-UHFFFAOYSA-N 1 2 242.279 -0.440 20 0 BBADLO Cc1nn(C[N@H+]2CC[C@](C)(C(N)=O)C2)c(=O)o1 ZINC000853511524 588747018 /nfs/dbraw/zinc/74/70/18/588747018.db2.gz QHFSZVUWFQAENF-JTQLQIEISA-N 1 2 240.263 -0.700 20 0 BBADLO Cc1nn(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c(=O)o1 ZINC000853511524 588747017 /nfs/dbraw/zinc/74/70/17/588747017.db2.gz QHFSZVUWFQAENF-JTQLQIEISA-N 1 2 240.263 -0.700 20 0 BBADLO Cc1nn(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c(=O)o1 ZINC000853511525 588747070 /nfs/dbraw/zinc/74/70/70/588747070.db2.gz QHFSZVUWFQAENF-SNVBAGLBSA-N 1 2 240.263 -0.700 20 0 BBADLO Cc1nn(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c(=O)o1 ZINC000853511525 588747069 /nfs/dbraw/zinc/74/70/69/588747069.db2.gz QHFSZVUWFQAENF-SNVBAGLBSA-N 1 2 240.263 -0.700 20 0 BBADLO Cc1nn(CN2CCn3c[nH+]cc3C2)c(=O)o1 ZINC000853513611 588746968 /nfs/dbraw/zinc/74/69/68/588746968.db2.gz BZPYOZQIJHXHFW-UHFFFAOYSA-N 1 2 235.247 -0.185 20 0 BBADLO Cc1nn(C[N@H+]2CC[C@H](CC(N)=O)C2)c(=O)o1 ZINC000853514832 588747316 /nfs/dbraw/zinc/74/73/16/588747316.db2.gz KFZZHXNOIWXANO-MRVPVSSYSA-N 1 2 240.263 -0.700 20 0 BBADLO Cc1nn(C[N@@H+]2CC[C@H](CC(N)=O)C2)c(=O)o1 ZINC000853514832 588747315 /nfs/dbraw/zinc/74/73/15/588747315.db2.gz KFZZHXNOIWXANO-MRVPVSSYSA-N 1 2 240.263 -0.700 20 0 BBADLO Cc1nn(C[N@H+]2CC[C@@H](CC(N)=O)C2)c(=O)o1 ZINC000853514835 588747337 /nfs/dbraw/zinc/74/73/37/588747337.db2.gz KFZZHXNOIWXANO-QMMMGPOBSA-N 1 2 240.263 -0.700 20 0 BBADLO Cc1nn(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c(=O)o1 ZINC000853514835 588747336 /nfs/dbraw/zinc/74/73/36/588747336.db2.gz KFZZHXNOIWXANO-QMMMGPOBSA-N 1 2 240.263 -0.700 20 0 BBADLO CNC(=O)[C@@H]1CC[N@@H+](Cn2nc(C)oc2=O)C1 ZINC000853517779 588747327 /nfs/dbraw/zinc/74/73/27/588747327.db2.gz DZVRHFAYZVTGAK-MRVPVSSYSA-N 1 2 240.263 -0.830 20 0 BBADLO CNC(=O)[C@@H]1CC[N@H+](Cn2nc(C)oc2=O)C1 ZINC000853517779 588747326 /nfs/dbraw/zinc/74/73/26/588747326.db2.gz DZVRHFAYZVTGAK-MRVPVSSYSA-N 1 2 240.263 -0.830 20 0 BBADLO CNC(=O)[C@H]1CC[N@@H+](Cn2nc(C)oc2=O)C1 ZINC000853517780 588747209 /nfs/dbraw/zinc/74/72/09/588747209.db2.gz DZVRHFAYZVTGAK-QMMMGPOBSA-N 1 2 240.263 -0.830 20 0 BBADLO CNC(=O)[C@H]1CC[N@H+](Cn2nc(C)oc2=O)C1 ZINC000853517780 588747208 /nfs/dbraw/zinc/74/72/08/588747208.db2.gz DZVRHFAYZVTGAK-QMMMGPOBSA-N 1 2 240.263 -0.830 20 0 BBADLO C[N@@H+](C[C@@H]1COCCO1)CN1CCOC1=S ZINC000853558317 588748854 /nfs/dbraw/zinc/74/88/54/588748854.db2.gz HGMASMNTEVFXEE-SECBINFHSA-N 1 2 246.332 -0.092 20 0 BBADLO C[N@H+](C[C@@H]1COCCO1)CN1CCOC1=S ZINC000853558317 588748853 /nfs/dbraw/zinc/74/88/53/588748853.db2.gz HGMASMNTEVFXEE-SECBINFHSA-N 1 2 246.332 -0.092 20 0 BBADLO C[N@@H+](C[C@H]1COCCO1)CN1CCOC1=S ZINC000853558318 588748950 /nfs/dbraw/zinc/74/89/50/588748950.db2.gz HGMASMNTEVFXEE-VIFPVBQESA-N 1 2 246.332 -0.092 20 0 BBADLO C[N@H+](C[C@H]1COCCO1)CN1CCOC1=S ZINC000853558318 588748949 /nfs/dbraw/zinc/74/89/49/588748949.db2.gz HGMASMNTEVFXEE-VIFPVBQESA-N 1 2 246.332 -0.092 20 0 BBADLO C[N@@H+](C[C@H]1COCCO1)CN1CCCC1=O ZINC000853559216 588748899 /nfs/dbraw/zinc/74/88/99/588748899.db2.gz YEUIMFYUQBMFHJ-JTQLQIEISA-N 1 2 228.292 -0.087 20 0 BBADLO C[N@H+](C[C@H]1COCCO1)CN1CCCC1=O ZINC000853559216 588748898 /nfs/dbraw/zinc/74/88/98/588748898.db2.gz YEUIMFYUQBMFHJ-JTQLQIEISA-N 1 2 228.292 -0.087 20 0 BBADLO C[N@@H+](C[C@@H]1COCCO1)CN1CCCC1=O ZINC000853559218 588748796 /nfs/dbraw/zinc/74/87/96/588748796.db2.gz YEUIMFYUQBMFHJ-SNVBAGLBSA-N 1 2 228.292 -0.087 20 0 BBADLO C[N@H+](C[C@@H]1COCCO1)CN1CCCC1=O ZINC000853559218 588748795 /nfs/dbraw/zinc/74/87/95/588748795.db2.gz YEUIMFYUQBMFHJ-SNVBAGLBSA-N 1 2 228.292 -0.087 20 0 BBADLO Cn1cnn(C[N@H+]2CC[C@H]3C[C@H]3C2)c1=O ZINC000853577606 588748243 /nfs/dbraw/zinc/74/82/43/588748243.db2.gz UMROPVRLKCCUAX-IUCAKERBSA-N 1 2 208.265 -0.119 20 0 BBADLO Cn1cnn(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1=O ZINC000853577606 588748242 /nfs/dbraw/zinc/74/82/42/588748242.db2.gz UMROPVRLKCCUAX-IUCAKERBSA-N 1 2 208.265 -0.119 20 0 BBADLO Cn1cnn(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1=O ZINC000853577608 588748374 /nfs/dbraw/zinc/74/83/74/588748374.db2.gz UMROPVRLKCCUAX-RKDXNWHRSA-N 1 2 208.265 -0.119 20 0 BBADLO Cn1cnn(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1=O ZINC000853577608 588748373 /nfs/dbraw/zinc/74/83/73/588748373.db2.gz UMROPVRLKCCUAX-RKDXNWHRSA-N 1 2 208.265 -0.119 20 0 BBADLO Cn1cnn(C[N@H+]2CC[C@@H]3COC[C@H]3C2)c1=O ZINC000853591758 588750035 /nfs/dbraw/zinc/75/00/35/588750035.db2.gz WHYPFNIOACJHAY-NXEZZACHSA-N 1 2 238.291 -0.492 20 0 BBADLO Cn1cnn(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c1=O ZINC000853591758 588750034 /nfs/dbraw/zinc/75/00/34/588750034.db2.gz WHYPFNIOACJHAY-NXEZZACHSA-N 1 2 238.291 -0.492 20 0 BBADLO Cn1cnn(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c1=O ZINC000853591759 588749834 /nfs/dbraw/zinc/74/98/34/588749834.db2.gz WHYPFNIOACJHAY-UWVGGRQHSA-N 1 2 238.291 -0.492 20 0 BBADLO Cn1cnn(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1=O ZINC000853591759 588749833 /nfs/dbraw/zinc/74/98/33/588749833.db2.gz WHYPFNIOACJHAY-UWVGGRQHSA-N 1 2 238.291 -0.492 20 0 BBADLO Cn1cnn(C[N@H+]2CC[C@H]3COC[C@H]3C2)c1=O ZINC000853591760 588749958 /nfs/dbraw/zinc/74/99/58/588749958.db2.gz WHYPFNIOACJHAY-VHSXEESVSA-N 1 2 238.291 -0.492 20 0 BBADLO Cn1cnn(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c1=O ZINC000853591760 588749957 /nfs/dbraw/zinc/74/99/57/588749957.db2.gz WHYPFNIOACJHAY-VHSXEESVSA-N 1 2 238.291 -0.492 20 0 BBADLO Cn1cnn(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c1=O ZINC000853591761 583058798 /nfs/dbraw/zinc/05/87/98/583058798.db2.gz WHYPFNIOACJHAY-ZJUUUORDSA-N 1 2 238.291 -0.492 20 0 BBADLO Cn1cnn(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c1=O ZINC000853591761 583058797 /nfs/dbraw/zinc/05/87/97/583058797.db2.gz WHYPFNIOACJHAY-ZJUUUORDSA-N 1 2 238.291 -0.492 20 0 BBADLO Cc1nn(C[N@H+]2CCC3(COC3)C2)c(=O)n1C ZINC000853596913 588750293 /nfs/dbraw/zinc/75/02/93/588750293.db2.gz BONJVLSNPRTGQB-UHFFFAOYSA-N 1 2 238.291 -0.430 20 0 BBADLO Cc1nn(C[N@@H+]2CCC3(COC3)C2)c(=O)n1C ZINC000853596913 588750292 /nfs/dbraw/zinc/75/02/92/588750292.db2.gz BONJVLSNPRTGQB-UHFFFAOYSA-N 1 2 238.291 -0.430 20 0 BBADLO Cn1c[nH+]cc1CNc1cc(=O)n(C)c(=O)n1C ZINC000853636127 588751288 /nfs/dbraw/zinc/75/12/88/588751288.db2.gz VCBYOQBOQRECCD-UHFFFAOYSA-N 1 2 249.274 -0.570 20 0 BBADLO C[C@@H](O)CCO[NH+]=C(N)CN1CCOCC1 ZINC000853667463 588754120 /nfs/dbraw/zinc/75/41/20/588754120.db2.gz DFYYKJIVELNWOW-SECBINFHSA-N 1 2 231.296 -0.412 20 0 BBADLO C[C@H](O)CCO[NH+]=C(N)CN1CCOCC1 ZINC000853667464 588754059 /nfs/dbraw/zinc/75/40/59/588754059.db2.gz DFYYKJIVELNWOW-VIFPVBQESA-N 1 2 231.296 -0.412 20 0 BBADLO CON(C)CCNC(=O)NCc1[nH+]ccn1C ZINC000853669302 588754061 /nfs/dbraw/zinc/75/40/61/588754061.db2.gz MFSBFZONOMCDDG-UHFFFAOYSA-N 1 2 241.295 -0.288 20 0 BBADLO CO[C@H](C)C(N)=[NH+]OC[C@H]1COCCO1 ZINC000853674022 588754955 /nfs/dbraw/zinc/75/49/55/588754955.db2.gz PASQBXSQCYGXEB-HTQZYQBOSA-N 1 2 218.253 -0.065 20 0 BBADLO CO[C@@H](C)C(N)=[NH+]OC[C@H]1COCCO1 ZINC000853674023 588754901 /nfs/dbraw/zinc/75/49/01/588754901.db2.gz PASQBXSQCYGXEB-JGVFFNPUSA-N 1 2 218.253 -0.065 20 0 BBADLO CO[C@H](C)C(N)=[NH+]OC[C@@H]1COCCO1 ZINC000853674024 588754946 /nfs/dbraw/zinc/75/49/46/588754946.db2.gz PASQBXSQCYGXEB-SFYZADRCSA-N 1 2 218.253 -0.065 20 0 BBADLO CO[C@@H](C)C(N)=[NH+]OC[C@@H]1COCCO1 ZINC000853674025 588754922 /nfs/dbraw/zinc/75/49/22/588754922.db2.gz PASQBXSQCYGXEB-YUMQZZPRSA-N 1 2 218.253 -0.065 20 0 BBADLO CN(C)c1cc(Cn2cc(C(N)=O)nn2)cc[nH+]1 ZINC000853678553 588755251 /nfs/dbraw/zinc/75/52/51/588755251.db2.gz KVZWEBMLFIMIKU-UHFFFAOYSA-N 1 2 246.274 -0.114 20 0 BBADLO Cc1nonc1CO[NH+]=C(N)CCO ZINC000853686739 588756175 /nfs/dbraw/zinc/75/61/75/588756175.db2.gz DTSYVNCNXKQSHL-UHFFFAOYSA-N 1 2 200.198 -0.241 20 0 BBADLO CCN1CC[C@@H](O[NH+]=C(N)CCO)C1=O ZINC000853687846 588756545 /nfs/dbraw/zinc/75/65/45/588756545.db2.gz WWBXSQAOAIEHEB-SSDOTTSWSA-N 1 2 215.253 -0.512 20 0 BBADLO CCN1CC[C@H](O[NH+]=C(N)CCO)C1=O ZINC000853687847 588756691 /nfs/dbraw/zinc/75/66/91/588756691.db2.gz WWBXSQAOAIEHEB-ZETCQYMHSA-N 1 2 215.253 -0.512 20 0 BBADLO CC[C@@H](O)CNC(=O)NCc1c[nH+]cn1C ZINC000854066737 588772650 /nfs/dbraw/zinc/77/26/50/588772650.db2.gz DQBBQPZRYAQNEZ-SECBINFHSA-N 1 2 226.280 -0.010 20 0 BBADLO CON(C)CCNC(=O)NCc1c[nH+]cn1C ZINC000854067133 588772931 /nfs/dbraw/zinc/77/29/31/588772931.db2.gz QZTYCHZPJPFGBP-UHFFFAOYSA-N 1 2 241.295 -0.288 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)N[C@H]1C[C@H](O)C1 ZINC000854067194 588772919 /nfs/dbraw/zinc/77/29/19/588772919.db2.gz SNUIIIGBNFHACF-XWEPSHTISA-N 1 2 224.264 -0.257 20 0 BBADLO COC(=O)/C(C)=C\C[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000854113094 588774798 /nfs/dbraw/zinc/77/47/98/588774798.db2.gz JQGYGIUZJPYDER-IZEHPQQOSA-N 1 2 242.275 -0.974 20 0 BBADLO COC(=O)/C(C)=C\C[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000854113094 588774797 /nfs/dbraw/zinc/77/47/97/588774797.db2.gz JQGYGIUZJPYDER-IZEHPQQOSA-N 1 2 242.275 -0.974 20 0 BBADLO COC(=O)/C(C)=C/C[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000854113096 588774839 /nfs/dbraw/zinc/77/48/39/588774839.db2.gz JQGYGIUZJPYDER-UEXUUTQISA-N 1 2 242.275 -0.974 20 0 BBADLO COC(=O)/C(C)=C/C[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000854113096 588774838 /nfs/dbraw/zinc/77/48/38/588774838.db2.gz JQGYGIUZJPYDER-UEXUUTQISA-N 1 2 242.275 -0.974 20 0 BBADLO CC1=NO[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000854117502 588774916 /nfs/dbraw/zinc/77/49/16/588774916.db2.gz OFCVSIKNKXYUNI-SECBINFHSA-N 1 2 211.265 -0.075 20 0 BBADLO CC1=NO[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000854117504 588774844 /nfs/dbraw/zinc/77/48/44/588774844.db2.gz OFCVSIKNKXYUNI-VIFPVBQESA-N 1 2 211.265 -0.075 20 0 BBADLO CC1=NO[C@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000854168219 588777598 /nfs/dbraw/zinc/77/75/98/588777598.db2.gz DEYUTAXBURPGAX-JTQLQIEISA-N 1 2 241.291 -0.400 20 0 BBADLO CC1=NO[C@@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000854168220 588777661 /nfs/dbraw/zinc/77/76/61/588777661.db2.gz DEYUTAXBURPGAX-SNVBAGLBSA-N 1 2 241.291 -0.400 20 0 BBADLO CN1CC(C(=O)N2CCC[N@@H+](C)CC2)=NC1=O ZINC000854177711 588778164 /nfs/dbraw/zinc/77/81/64/588778164.db2.gz QBUZAMRIHPVNBQ-UHFFFAOYSA-N 1 2 238.291 -0.097 20 0 BBADLO CN1CC(C(=O)N2CCC[N@H+](C)CC2)=NC1=O ZINC000854177711 588778163 /nfs/dbraw/zinc/77/81/63/588778163.db2.gz QBUZAMRIHPVNBQ-UHFFFAOYSA-N 1 2 238.291 -0.097 20 0 BBADLO CC(C)NC(=O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000854291078 588782888 /nfs/dbraw/zinc/78/28/88/588782888.db2.gz ONUJYHGIQQYWLG-UHFFFAOYSA-N 1 2 238.291 -0.065 20 0 BBADLO CCN(CCOCCO)C(=O)Cc1[nH]cc[nH+]1 ZINC000854342984 588784701 /nfs/dbraw/zinc/78/47/01/588784701.db2.gz CGGCDSGXUTVEOW-UHFFFAOYSA-N 1 2 241.291 -0.190 20 0 BBADLO C[NH+]1CCC(ONC(=O)CC2OCCO2)CC1 ZINC000854357435 588784823 /nfs/dbraw/zinc/78/48/23/588784823.db2.gz FNMMTTDPBSUREH-UHFFFAOYSA-N 1 2 244.291 -0.109 20 0 BBADLO CCC1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854380680 588785511 /nfs/dbraw/zinc/78/55/11/588785511.db2.gz RYMVTXLDJXTUEY-UHFFFAOYSA-N 1 2 209.249 -0.065 20 0 BBADLO CCN1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC000854384946 588785670 /nfs/dbraw/zinc/78/56/70/588785670.db2.gz AVIZXSCCGUWORA-MRVPVSSYSA-N 1 2 236.275 -0.311 20 0 BBADLO CCN1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC000854384947 588785752 /nfs/dbraw/zinc/78/57/52/588785752.db2.gz AVIZXSCCGUWORA-QMMMGPOBSA-N 1 2 236.275 -0.311 20 0 BBADLO C[NH+](C)C1(C(=O)O[C@H]2CNOC2)CC1 ZINC000854412223 588785780 /nfs/dbraw/zinc/78/57/80/588785780.db2.gz MNHJRMUEZXYYGO-ZETCQYMHSA-N 1 2 200.238 -0.473 20 0 BBADLO O=C(O[C@H]1CNOC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000854412970 588786027 /nfs/dbraw/zinc/78/60/27/588786027.db2.gz DXGIHWFNASXJLG-SFYZADRCSA-N 1 2 237.259 -0.039 20 0 BBADLO O=C(O[C@H]1CNOC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000854412970 588786026 /nfs/dbraw/zinc/78/60/26/588786026.db2.gz DXGIHWFNASXJLG-SFYZADRCSA-N 1 2 237.259 -0.039 20 0 BBADLO O=C(O[C@H]1CNOC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000854412973 588786144 /nfs/dbraw/zinc/78/61/44/588786144.db2.gz DXGIHWFNASXJLG-YUMQZZPRSA-N 1 2 237.259 -0.039 20 0 BBADLO O=C(O[C@H]1CNOC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000854412973 588786143 /nfs/dbraw/zinc/78/61/43/588786143.db2.gz DXGIHWFNASXJLG-YUMQZZPRSA-N 1 2 237.259 -0.039 20 0 BBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)O[C@H]1CNOC1 ZINC000854414657 588785989 /nfs/dbraw/zinc/78/59/89/588785989.db2.gz XEOWRCVBTYVQSJ-DJLDLDEBSA-N 1 2 237.259 -0.030 20 0 BBADLO CC(C)[C@@](C)(NC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC000854423187 588786547 /nfs/dbraw/zinc/78/65/47/588786547.db2.gz CIRCHNABGSGPIW-LLVKDONJSA-N 1 2 238.291 -0.032 20 0 BBADLO CC(C)[C@](C)(NC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC000854423188 588786408 /nfs/dbraw/zinc/78/64/08/588786408.db2.gz CIRCHNABGSGPIW-NSHDSACASA-N 1 2 238.291 -0.032 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC000854498666 588789629 /nfs/dbraw/zinc/78/96/29/588789629.db2.gz IYMSHOIZVIEFBG-MRVPVSSYSA-N 1 2 237.263 -0.940 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000854498667 588789503 /nfs/dbraw/zinc/78/95/03/588789503.db2.gz IYMSHOIZVIEFBG-QMMMGPOBSA-N 1 2 237.263 -0.940 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)[C@H](O)C1CC1 ZINC000854498832 588789505 /nfs/dbraw/zinc/78/95/05/588789505.db2.gz LXJSOXLZWNHUDM-SECBINFHSA-N 1 2 209.249 -0.193 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)[C@@H](O)C1CC1 ZINC000854498834 588789676 /nfs/dbraw/zinc/78/96/76/588789676.db2.gz LXJSOXLZWNHUDM-VIFPVBQESA-N 1 2 209.249 -0.193 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000854499201 588789612 /nfs/dbraw/zinc/78/96/12/588789612.db2.gz WALYSWUJRXUECC-MYJAWHEDSA-N 1 2 221.260 -0.071 20 0 BBADLO O=C(N[C@@H]1COC(=O)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000854554525 588793972 /nfs/dbraw/zinc/79/39/72/588793972.db2.gz JAZCCXHINCCMTI-BDAKNGLRSA-N 1 2 249.270 -0.123 20 0 BBADLO O=C(N[C@@H]1COC(=O)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000854554527 588794029 /nfs/dbraw/zinc/79/40/29/588794029.db2.gz JAZCCXHINCCMTI-IUCAKERBSA-N 1 2 249.270 -0.123 20 0 BBADLO O=C(Cn1cc[nH+]c1)N[C@@H]1COC(=O)C1 ZINC000854554764 588794106 /nfs/dbraw/zinc/79/41/06/588794106.db2.gz MUYDXUKGBREFLS-ZETCQYMHSA-N 1 2 209.205 -0.685 20 0 BBADLO CC1(C)C[NH+](CC(=O)N[C@@H]2COC(=O)C2)C1 ZINC000854554888 588793961 /nfs/dbraw/zinc/79/39/61/588793961.db2.gz QCRHCXIPQLYJLV-QMMMGPOBSA-N 1 2 226.276 -0.240 20 0 BBADLO O=C(N[C@@H]1COC(=O)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000854554895 588794104 /nfs/dbraw/zinc/79/41/04/588794104.db2.gz QHNKQKAOJLNVTQ-BDAKNGLRSA-N 1 2 249.270 -0.123 20 0 BBADLO O=C(N[C@@H]1COC(=O)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000854554896 588793968 /nfs/dbraw/zinc/79/39/68/588793968.db2.gz QHNKQKAOJLNVTQ-IUCAKERBSA-N 1 2 249.270 -0.123 20 0 BBADLO O=C(N[C@@H]1COC(=O)C1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000854554917 588794034 /nfs/dbraw/zinc/79/40/34/588794034.db2.gz RGXNQZYDESQRMS-SFYZADRCSA-N 1 2 249.270 -0.054 20 0 BBADLO O=C(N[C@@H]1COC(=O)C1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000854554917 588794033 /nfs/dbraw/zinc/79/40/33/588794033.db2.gz RGXNQZYDESQRMS-SFYZADRCSA-N 1 2 249.270 -0.054 20 0 BBADLO O=C(N[C@@H]1COC(=O)C1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000854554918 588794018 /nfs/dbraw/zinc/79/40/18/588794018.db2.gz RGXNQZYDESQRMS-YUMQZZPRSA-N 1 2 249.270 -0.054 20 0 BBADLO O=C(N[C@@H]1COC(=O)C1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000854554918 588794017 /nfs/dbraw/zinc/79/40/17/588794017.db2.gz RGXNQZYDESQRMS-YUMQZZPRSA-N 1 2 249.270 -0.054 20 0 BBADLO C[C@@H](NC(=O)[C@H]1COC(=O)N1)c1[nH]cc[nH+]1 ZINC000854594395 588796312 /nfs/dbraw/zinc/79/63/12/588796312.db2.gz KIGZMKWPBBQJFW-PHDIDXHHSA-N 1 2 224.220 -0.305 20 0 BBADLO C[C@@H](NC(=O)[C@@H]1COC(=O)N1)c1[nH]cc[nH+]1 ZINC000854594396 588796192 /nfs/dbraw/zinc/79/61/92/588796192.db2.gz KIGZMKWPBBQJFW-RITPCOANSA-N 1 2 224.220 -0.305 20 0 BBADLO COC(=O)[C@H]1[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC000854599124 588796548 /nfs/dbraw/zinc/79/65/48/588796548.db2.gz CQEZUPTZAKLOHK-VROVMSAKSA-N 1 2 249.270 -0.170 20 0 BBADLO CCCN(CC(N)=O)C(=O)Cc1[nH]cc[nH+]1 ZINC000854607156 588797174 /nfs/dbraw/zinc/79/71/74/588797174.db2.gz KBYHQHNNPLLYJW-UHFFFAOYSA-N 1 2 224.264 -0.324 20 0 BBADLO CCn1ncn(NC(=O)C2([NH+](C)C)CC2)c1=O ZINC000854626581 588797771 /nfs/dbraw/zinc/79/77/71/588797771.db2.gz YBRRYKGVVSKICY-UHFFFAOYSA-N 1 2 239.279 -0.771 20 0 BBADLO CCn1ncn(NC(=O)Cc2[nH]cc[nH+]2)c1=O ZINC000854627066 588797761 /nfs/dbraw/zinc/79/77/61/588797761.db2.gz DKXYBDYAANZDGA-UHFFFAOYSA-N 1 2 236.235 -0.899 20 0 BBADLO CCn1ncn(NC(=O)Cn2cc[nH+]c2)c1=O ZINC000854628171 588798037 /nfs/dbraw/zinc/79/80/37/588798037.db2.gz UVPKLVYPKLTVPT-UHFFFAOYSA-N 1 2 236.235 -0.969 20 0 BBADLO CCn1ncn(NC(=O)[C@H]2CCC[N@H+]2C)c1=O ZINC000854629665 588797916 /nfs/dbraw/zinc/79/79/16/588797916.db2.gz HFYMVNSHESBIKN-MRVPVSSYSA-N 1 2 239.279 -0.771 20 0 BBADLO CCn1ncn(NC(=O)[C@H]2CCC[N@@H+]2C)c1=O ZINC000854629665 588797915 /nfs/dbraw/zinc/79/79/15/588797915.db2.gz HFYMVNSHESBIKN-MRVPVSSYSA-N 1 2 239.279 -0.771 20 0 BBADLO CCn1ncn(NC(=O)[C@@H]2CCC[N@H+]2C)c1=O ZINC000854629666 588797955 /nfs/dbraw/zinc/79/79/55/588797955.db2.gz HFYMVNSHESBIKN-QMMMGPOBSA-N 1 2 239.279 -0.771 20 0 BBADLO CCn1ncn(NC(=O)[C@@H]2CCC[N@@H+]2C)c1=O ZINC000854629666 588797954 /nfs/dbraw/zinc/79/79/54/588797954.db2.gz HFYMVNSHESBIKN-QMMMGPOBSA-N 1 2 239.279 -0.771 20 0 BBADLO CCn1ncn(NC(=O)[C@H](C)[NH+](C)C)c1=O ZINC000854629678 588797887 /nfs/dbraw/zinc/79/78/87/588797887.db2.gz HQZSEZUVAKPLNH-ZETCQYMHSA-N 1 2 227.268 -0.915 20 0 BBADLO CCNC(=O)NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000854636926 588798587 /nfs/dbraw/zinc/79/85/87/588798587.db2.gz KDOFNLXLFIXVRP-UHFFFAOYSA-N 1 2 239.279 -0.613 20 0 BBADLO O=C(c1cccc2[nH+]ccn21)N1CC(O)(CO)C1 ZINC000854672143 588800641 /nfs/dbraw/zinc/80/06/41/588800641.db2.gz ATCDPPPOFZXHIH-UHFFFAOYSA-N 1 2 247.254 -0.487 20 0 BBADLO CN1C[C@H](C(=O)N[C@@H]2CCn3cc[nH+]c32)NC1=O ZINC000854685734 588801191 /nfs/dbraw/zinc/80/11/91/588801191.db2.gz NUCJQFNEJWRVGN-HTQZYQBOSA-N 1 2 249.274 -0.532 20 0 BBADLO CN1C[C@H](C(=O)N[C@H]2CCn3cc[nH+]c32)NC1=O ZINC000854685735 588801219 /nfs/dbraw/zinc/80/12/19/588801219.db2.gz NUCJQFNEJWRVGN-JGVFFNPUSA-N 1 2 249.274 -0.532 20 0 BBADLO CN1C[C@@H](C(=O)N[C@@H]2CCn3cc[nH+]c32)NC1=O ZINC000854685736 588801248 /nfs/dbraw/zinc/80/12/48/588801248.db2.gz NUCJQFNEJWRVGN-SFYZADRCSA-N 1 2 249.274 -0.532 20 0 BBADLO CN1C[C@@H](C(=O)N[C@H]2CCn3cc[nH+]c32)NC1=O ZINC000854685737 588801115 /nfs/dbraw/zinc/80/11/15/588801115.db2.gz NUCJQFNEJWRVGN-YUMQZZPRSA-N 1 2 249.274 -0.532 20 0 BBADLO Cc1nnc(CC(=O)NOCC[NH+](C)C)s1 ZINC000854690448 588801730 /nfs/dbraw/zinc/80/17/30/588801730.db2.gz CPIDWPWUMDZVEB-UHFFFAOYSA-N 1 2 244.320 -0.002 20 0 BBADLO O=C(Cc1[nH]cc[nH+]1)N1CCOCCN1 ZINC000854693978 588802076 /nfs/dbraw/zinc/80/20/76/588802076.db2.gz CIGDJMHBQZUPKP-UHFFFAOYSA-N 1 2 210.237 -0.684 20 0 BBADLO COCC1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854754024 588805661 /nfs/dbraw/zinc/80/56/61/588805661.db2.gz JJXWHYNGDORKKR-UHFFFAOYSA-N 1 2 225.248 -0.828 20 0 BBADLO CCN1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1=O ZINC000854825271 588812302 /nfs/dbraw/zinc/81/23/02/588812302.db2.gz YTSLFMHYBHDWRE-MRVPVSSYSA-N 1 2 236.275 -0.311 20 0 BBADLO CCN1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1=O ZINC000854825272 588812406 /nfs/dbraw/zinc/81/24/06/588812406.db2.gz YTSLFMHYBHDWRE-QMMMGPOBSA-N 1 2 236.275 -0.311 20 0 BBADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC(=O)N1 ZINC000854825370 588812287 /nfs/dbraw/zinc/81/22/87/588812287.db2.gz BSOWNQOCDIGWGP-SSDOTTSWSA-N 1 2 222.248 -0.701 20 0 BBADLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC(=O)N1 ZINC000854825371 588812350 /nfs/dbraw/zinc/81/23/50/588812350.db2.gz BSOWNQOCDIGWGP-ZETCQYMHSA-N 1 2 222.248 -0.701 20 0 BBADLO COCC(COC)NC(=O)Cc1[nH]cc[nH+]1 ZINC000854829473 588812620 /nfs/dbraw/zinc/81/26/20/588812620.db2.gz INAFKLFDBNUDDL-UHFFFAOYSA-N 1 2 227.264 -0.270 20 0 BBADLO CO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O ZINC000854847210 645512344 /nfs/dbraw/zinc/51/23/44/645512344.db2.gz UQADLOULTBXVSF-HTQZYQBOSA-N 1 2 225.248 -0.830 20 0 BBADLO CON1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000854855301 588813746 /nfs/dbraw/zinc/81/37/46/588813746.db2.gz KZWVRQGLJHXDAO-UHFFFAOYSA-N 1 2 224.264 -0.342 20 0 BBADLO CON1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000854855563 588813555 /nfs/dbraw/zinc/81/35/55/588813555.db2.gz VWSGVSRMXFYJRU-UHFFFAOYSA-N 1 2 224.264 -0.411 20 0 BBADLO CON1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000854855646 588813728 /nfs/dbraw/zinc/81/37/28/588813728.db2.gz AQTWFYYKPFMUFY-UHFFFAOYSA-N 1 2 238.291 -0.034 20 0 BBADLO CON1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000854856498 588813845 /nfs/dbraw/zinc/81/38/45/588813845.db2.gz ILBIPRSOXFGJFR-UHFFFAOYSA-N 1 2 238.291 -0.332 20 0 BBADLO CON1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000854859764 588814107 /nfs/dbraw/zinc/81/41/07/588814107.db2.gz LEWVEMRSEPWMCP-UHFFFAOYSA-N 1 2 238.291 -0.021 20 0 BBADLO CCNC(=O)C(C)(C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000854903033 588816231 /nfs/dbraw/zinc/81/62/31/588816231.db2.gz AKANNWCJVHWKOU-UHFFFAOYSA-N 1 2 238.291 -0.017 20 0 BBADLO COC(=O)[C@@H](F)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000854914297 588816603 /nfs/dbraw/zinc/81/66/03/588816603.db2.gz OMWGWDVNTQLLRC-LURJTMIESA-N 1 2 229.211 -0.421 20 0 BBADLO CO[C@@H]1COC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000854918835 588817038 /nfs/dbraw/zinc/81/70/38/588817038.db2.gz LYRGCPWFEZFSQN-JGVFFNPUSA-N 1 2 225.248 -0.518 20 0 BBADLO CCC[C@H](O)[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000854942927 588817565 /nfs/dbraw/zinc/81/75/65/588817565.db2.gz BTNQQLILSHPDOS-BDAKNGLRSA-N 1 2 241.291 -0.410 20 0 BBADLO CCC[C@@H](O)[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000854942928 588817508 /nfs/dbraw/zinc/81/75/08/588817508.db2.gz BTNQQLILSHPDOS-DTWKUNHWSA-N 1 2 241.291 -0.410 20 0 BBADLO CCC[C@H](O)[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000854942929 588817683 /nfs/dbraw/zinc/81/76/83/588817683.db2.gz BTNQQLILSHPDOS-IUCAKERBSA-N 1 2 241.291 -0.410 20 0 BBADLO CCC[C@@H](O)[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000854942930 588817745 /nfs/dbraw/zinc/81/77/45/588817745.db2.gz BTNQQLILSHPDOS-RKDXNWHRSA-N 1 2 241.291 -0.410 20 0 BBADLO CC(C)NC(=O)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000854944581 588817739 /nfs/dbraw/zinc/81/77/39/588817739.db2.gz QRXGKJMHMLPIFZ-MRVPVSSYSA-N 1 2 238.291 -0.019 20 0 BBADLO CC(C)NC(=O)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000854944582 588817689 /nfs/dbraw/zinc/81/76/89/588817689.db2.gz QRXGKJMHMLPIFZ-QMMMGPOBSA-N 1 2 238.291 -0.019 20 0 BBADLO Cn1cccc(C(=O)NOCC[NH+](C)C)c1=O ZINC000854945317 588818067 /nfs/dbraw/zinc/81/80/67/588818067.db2.gz GCWZWECOQKFTQO-UHFFFAOYSA-N 1 2 239.275 -0.392 20 0 BBADLO C[NH+](C)CCONC(=O)Cc1ccon1 ZINC000854945345 588817841 /nfs/dbraw/zinc/81/78/41/588817841.db2.gz HJHTVLGOOJEPTQ-UHFFFAOYSA-N 1 2 213.237 -0.174 20 0 BBADLO C[NH+](C)CCONC(=O)CC1OCCCO1 ZINC000854945675 588817428 /nfs/dbraw/zinc/81/74/28/588817428.db2.gz XCIXCHDMROKGAC-UHFFFAOYSA-N 1 2 232.280 -0.251 20 0 BBADLO C[NH+](C)CCONC(=O)CC1OCCO1 ZINC000854945737 588817953 /nfs/dbraw/zinc/81/79/53/588817953.db2.gz ZIIYTCAOIPSFAE-UHFFFAOYSA-N 1 2 218.253 -0.641 20 0 BBADLO Cc1cc(CC(=O)NOCC[NH+](C)C)n[nH]1 ZINC000854945801 588817810 /nfs/dbraw/zinc/81/78/10/588817810.db2.gz QASGMPYSJOIMIS-UHFFFAOYSA-N 1 2 226.280 -0.130 20 0 BBADLO Cc1cc(CC(=O)NOCC[NH+](C)C)[nH]n1 ZINC000854945801 588817809 /nfs/dbraw/zinc/81/78/09/588817809.db2.gz QASGMPYSJOIMIS-UHFFFAOYSA-N 1 2 226.280 -0.130 20 0 BBADLO C[NH+](C)CCONC(=O)CNC(=O)C1CC1 ZINC000854947288 588818274 /nfs/dbraw/zinc/81/82/74/588818274.db2.gz OJUQWACXELBJMP-UHFFFAOYSA-N 1 2 229.280 -0.878 20 0 BBADLO C[NH+](C)CCONC(=O)C1(CO)CCOCC1 ZINC000854947293 588818399 /nfs/dbraw/zinc/81/83/99/588818399.db2.gz OPSFJBDVJRUXGG-UHFFFAOYSA-N 1 2 246.307 -0.615 20 0 BBADLO C[NH+](C)CCONC(=O)C1=COCCO1 ZINC000854947494 588818212 /nfs/dbraw/zinc/81/82/12/588818212.db2.gz YZUXKVOWPRDQDH-UHFFFAOYSA-N 1 2 216.237 -0.516 20 0 BBADLO C[C@@]1(O)C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854954444 588818763 /nfs/dbraw/zinc/81/87/63/588818763.db2.gz HVPXZNJMOKTTJV-WKFQBHICSA-N 1 2 209.249 -0.018 20 0 BBADLO O=C(Cc1[nH]cc[nH+]1)N1CCN(C(=O)C2CC2)C1 ZINC000854966734 588819098 /nfs/dbraw/zinc/81/90/98/588819098.db2.gz NUTSJTLYCOHWNQ-UHFFFAOYSA-N 1 2 248.286 -0.010 20 0 BBADLO COC(=O)C1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854989740 588819706 /nfs/dbraw/zinc/81/97/06/588819706.db2.gz AVPSRPZFFBLGAU-UHFFFAOYSA-N 1 2 237.259 -0.026 20 0 BBADLO CCON(C)C(=O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000855024023 588820873 /nfs/dbraw/zinc/82/08/73/588820873.db2.gz JHDLQUIWFFTLST-UHFFFAOYSA-N 1 2 240.263 -0.522 20 0 BBADLO CCONC(=O)CNC(=O)C1([NH+](C)C)CC1 ZINC000855024296 588820795 /nfs/dbraw/zinc/82/07/95/588820795.db2.gz MKVINFDATFLGMI-UHFFFAOYSA-N 1 2 229.280 -0.736 20 0 BBADLO CO[C@](C)(CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000855046326 588821682 /nfs/dbraw/zinc/82/16/82/588821682.db2.gz ZPLCANMAOHKCMM-JTQLQIEISA-N 1 2 227.264 -0.534 20 0 BBADLO CO[C@@](C)(CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000855046327 588821566 /nfs/dbraw/zinc/82/15/66/588821566.db2.gz ZPLCANMAOHKCMM-SNVBAGLBSA-N 1 2 227.264 -0.534 20 0 BBADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1=NN(C)C(=O)CC1 ZINC000855134094 588822727 /nfs/dbraw/zinc/82/27/27/588822727.db2.gz CVUFFOCPWHAPSY-UHFFFAOYSA-N 1 2 249.274 -0.024 20 0 BBADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1=NN(C)C(=O)CC1 ZINC000855134094 588822726 /nfs/dbraw/zinc/82/27/26/588822726.db2.gz CVUFFOCPWHAPSY-UHFFFAOYSA-N 1 2 249.274 -0.024 20 0 BBADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1COC(=O)N1 ZINC000855135969 588823363 /nfs/dbraw/zinc/82/33/63/588823363.db2.gz JYIMHPILHBGHEB-SSDOTTSWSA-N 1 2 224.220 -0.524 20 0 BBADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1COC(=O)N1 ZINC000855135969 588823362 /nfs/dbraw/zinc/82/33/62/588823362.db2.gz JYIMHPILHBGHEB-SSDOTTSWSA-N 1 2 224.220 -0.524 20 0 BBADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1COC(=O)N1 ZINC000855135970 588823233 /nfs/dbraw/zinc/82/32/33/588823233.db2.gz JYIMHPILHBGHEB-ZETCQYMHSA-N 1 2 224.220 -0.524 20 0 BBADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1COC(=O)N1 ZINC000855135970 588823232 /nfs/dbraw/zinc/82/32/32/588823232.db2.gz JYIMHPILHBGHEB-ZETCQYMHSA-N 1 2 224.220 -0.524 20 0 BBADLO C[C@H]1OC(=O)N[C@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855136189 588823439 /nfs/dbraw/zinc/82/34/39/588823439.db2.gz NNMVDFPNITVLHP-HTRCEHHLSA-N 1 2 238.247 -0.135 20 0 BBADLO C[C@H]1OC(=O)N[C@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855136189 588823438 /nfs/dbraw/zinc/82/34/38/588823438.db2.gz NNMVDFPNITVLHP-HTRCEHHLSA-N 1 2 238.247 -0.135 20 0 BBADLO C[C@@H]1OC(=O)N[C@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855136190 588823455 /nfs/dbraw/zinc/82/34/55/588823455.db2.gz NNMVDFPNITVLHP-POYBYMJQSA-N 1 2 238.247 -0.135 20 0 BBADLO C[C@@H]1OC(=O)N[C@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855136190 588823454 /nfs/dbraw/zinc/82/34/54/588823454.db2.gz NNMVDFPNITVLHP-POYBYMJQSA-N 1 2 238.247 -0.135 20 0 BBADLO C[C@H]1OC(=O)N[C@@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855136193 588823184 /nfs/dbraw/zinc/82/31/84/588823184.db2.gz NNMVDFPNITVLHP-SVRRBLITSA-N 1 2 238.247 -0.135 20 0 BBADLO C[C@H]1OC(=O)N[C@@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855136193 588823183 /nfs/dbraw/zinc/82/31/83/588823183.db2.gz NNMVDFPNITVLHP-SVRRBLITSA-N 1 2 238.247 -0.135 20 0 BBADLO C[C@@H]1OC(=O)N[C@@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855136196 588823274 /nfs/dbraw/zinc/82/32/74/588823274.db2.gz NNMVDFPNITVLHP-XPUUQOCRSA-N 1 2 238.247 -0.135 20 0 BBADLO C[C@@H]1OC(=O)N[C@@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855136196 588823273 /nfs/dbraw/zinc/82/32/73/588823273.db2.gz NNMVDFPNITVLHP-XPUUQOCRSA-N 1 2 238.247 -0.135 20 0 BBADLO O=C(N[C@H]1CCNC1=O)c1cccc2[nH+]ccn21 ZINC000855144329 588823848 /nfs/dbraw/zinc/82/38/48/588823848.db2.gz RGPTWVWRAUUIPD-QMMMGPOBSA-N 1 2 244.254 -0.047 20 0 BBADLO CN(CC1C[NH+](C)C1)C(=O)C1=NC(=O)N(C)C1 ZINC000855641279 588843210 /nfs/dbraw/zinc/84/32/10/588843210.db2.gz KJMRSWYBFIZOFH-UHFFFAOYSA-N 1 2 238.291 -0.241 20 0 BBADLO CN(C)C(=O)OCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000855645616 588843323 /nfs/dbraw/zinc/84/33/23/588843323.db2.gz JGNVWTNYCNUBLN-UHFFFAOYSA-N 1 2 240.263 -0.233 20 0 BBADLO CN(C)C(=O)OCCNC(=O)Cn1cc[nH+]c1 ZINC000855645680 588843348 /nfs/dbraw/zinc/84/33/48/588843348.db2.gz MGARQGBPSFHPQR-UHFFFAOYSA-N 1 2 240.263 -0.303 20 0 BBADLO CN1CCN(C(=O)Cc2[nH]cc[nH+]2)CCC1=O ZINC000855918314 588853728 /nfs/dbraw/zinc/85/37/28/588853728.db2.gz AVMAMIBUWPLWLS-UHFFFAOYSA-N 1 2 236.275 -0.357 20 0 BBADLO COC(=O)N(C)CCNC(=O)Cn1cc[nH+]c1 ZINC000855939094 588854797 /nfs/dbraw/zinc/85/47/97/588854797.db2.gz BGCMFNUXLCXFFI-UHFFFAOYSA-N 1 2 240.263 -0.303 20 0 BBADLO COC(=O)N(C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000855944082 588855167 /nfs/dbraw/zinc/85/51/67/588855167.db2.gz BZYJHNHJHMABHB-UHFFFAOYSA-N 1 2 240.263 -0.233 20 0 BBADLO COC(=O)NCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856278212 588866489 /nfs/dbraw/zinc/86/64/89/588866489.db2.gz ZJPPMLIVALJDLQ-SSDOTTSWSA-N 1 2 240.263 -0.047 20 0 BBADLO COC(=O)NCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856278213 588866664 /nfs/dbraw/zinc/86/66/64/588866664.db2.gz ZJPPMLIVALJDLQ-ZETCQYMHSA-N 1 2 240.263 -0.047 20 0 BBADLO C[C@H](NC(=O)[C@@H]1COC(=O)N1)c1[nH+]ccn1C ZINC000856281429 588866933 /nfs/dbraw/zinc/86/69/33/588866933.db2.gz OOQYMJRGDGEJQD-BQBZGAKWSA-N 1 2 238.247 -0.294 20 0 BBADLO C[C@H](NC(=O)[C@H]1COC(=O)N1)c1[nH+]ccn1C ZINC000856281430 588867032 /nfs/dbraw/zinc/86/70/32/588867032.db2.gz OOQYMJRGDGEJQD-NKWVEPMBSA-N 1 2 238.247 -0.294 20 0 BBADLO C[C@@H](NC(=O)[C@H]1COC(=O)N1)c1[nH+]ccn1C ZINC000856281432 588866979 /nfs/dbraw/zinc/86/69/79/588866979.db2.gz OOQYMJRGDGEJQD-RNFRBKRXSA-N 1 2 238.247 -0.294 20 0 BBADLO C[C@@H](NC(=O)[C@@H]1COC(=O)N1)c1[nH+]ccn1C ZINC000856281433 588866945 /nfs/dbraw/zinc/86/69/45/588866945.db2.gz OOQYMJRGDGEJQD-RQJHMYQMSA-N 1 2 238.247 -0.294 20 0 BBADLO CNS(=O)(=O)CC[NH+]1CC(O)(C(C)C)C1 ZINC000856739934 588875657 /nfs/dbraw/zinc/87/56/57/588875657.db2.gz MNSOYFGVKBTFSA-UHFFFAOYSA-N 1 2 236.337 -0.762 20 0 BBADLO Cn1cc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c(Cl)n1 ZINC000857021479 588882569 /nfs/dbraw/zinc/88/25/69/588882569.db2.gz VEEQGKSXLPLTLE-OCAPTIKFSA-N 1 2 231.683 -0.389 20 0 BBADLO Cn1cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c(Cl)n1 ZINC000857021479 588882568 /nfs/dbraw/zinc/88/25/68/588882568.db2.gz VEEQGKSXLPLTLE-OCAPTIKFSA-N 1 2 231.683 -0.389 20 0 BBADLO O=C(NN1CN=NC1=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000857171849 588891249 /nfs/dbraw/zinc/89/12/49/588891249.db2.gz HVCRMGJYWOYZDT-LURJTMIESA-N 1 2 248.246 -0.418 20 0 BBADLO O=C(NN1CN=NC1=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000857171849 588891247 /nfs/dbraw/zinc/89/12/47/588891247.db2.gz HVCRMGJYWOYZDT-LURJTMIESA-N 1 2 248.246 -0.418 20 0 BBADLO O=C(NN1CN=NC1=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000857171854 588891169 /nfs/dbraw/zinc/89/11/69/588891169.db2.gz HVCRMGJYWOYZDT-ZCFIWIBFSA-N 1 2 248.246 -0.418 20 0 BBADLO O=C(NN1CN=NC1=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000857171854 588891168 /nfs/dbraw/zinc/89/11/68/588891168.db2.gz HVCRMGJYWOYZDT-ZCFIWIBFSA-N 1 2 248.246 -0.418 20 0 BBADLO CC(C)(C(=O)NN1CN=NC1=O)c1c[nH]c[nH+]1 ZINC000857172061 588891221 /nfs/dbraw/zinc/89/12/21/588891221.db2.gz KRCAORQGIQAYCL-UHFFFAOYSA-N 1 2 236.235 -0.245 20 0 BBADLO COCC[NH+](CCOC)CN1CCC1=O ZINC000857228934 588896382 /nfs/dbraw/zinc/89/63/82/588896382.db2.gz HZGUWXQAHZXIPB-UHFFFAOYSA-N 1 2 216.281 -0.229 20 0 BBADLO O=C1CCN1C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000857233424 588898426 /nfs/dbraw/zinc/89/84/26/588898426.db2.gz BNMFOUOJCXAYCN-JTQLQIEISA-N 1 2 237.303 -0.127 20 0 BBADLO O=C1CCN1C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000857233424 588898425 /nfs/dbraw/zinc/89/84/25/588898425.db2.gz BNMFOUOJCXAYCN-JTQLQIEISA-N 1 2 237.303 -0.127 20 0 BBADLO O=C1CCN1C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000857233429 588898443 /nfs/dbraw/zinc/89/84/43/588898443.db2.gz BNMFOUOJCXAYCN-SNVBAGLBSA-N 1 2 237.303 -0.127 20 0 BBADLO O=C1CCN1C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000857233429 588898441 /nfs/dbraw/zinc/89/84/41/588898441.db2.gz BNMFOUOJCXAYCN-SNVBAGLBSA-N 1 2 237.303 -0.127 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)N(C)CN1CCC1=O ZINC000857234565 588898940 /nfs/dbraw/zinc/89/89/40/588898940.db2.gz LRIAJDXOBWWXPO-LLVKDONJSA-N 1 2 241.335 -0.171 20 0 BBADLO C[C@H](CN1CCOCC1)[N@@H+](C)CN1CCC1=O ZINC000857234565 588898938 /nfs/dbraw/zinc/89/89/38/588898938.db2.gz LRIAJDXOBWWXPO-LLVKDONJSA-N 1 2 241.335 -0.171 20 0 BBADLO C[C@H](CN1CCOCC1)[N@H+](C)CN1CCC1=O ZINC000857234565 588898937 /nfs/dbraw/zinc/89/89/37/588898937.db2.gz LRIAJDXOBWWXPO-LLVKDONJSA-N 1 2 241.335 -0.171 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)N(C)CN1CCC1=O ZINC000857234567 588899201 /nfs/dbraw/zinc/89/92/01/588899201.db2.gz LRIAJDXOBWWXPO-NSHDSACASA-N 1 2 241.335 -0.171 20 0 BBADLO C[C@@H](CN1CCOCC1)[N@@H+](C)CN1CCC1=O ZINC000857234567 588899200 /nfs/dbraw/zinc/89/92/00/588899200.db2.gz LRIAJDXOBWWXPO-NSHDSACASA-N 1 2 241.335 -0.171 20 0 BBADLO C[C@@H](CN1CCOCC1)[N@H+](C)CN1CCC1=O ZINC000857234567 588899198 /nfs/dbraw/zinc/89/91/98/588899198.db2.gz LRIAJDXOBWWXPO-NSHDSACASA-N 1 2 241.335 -0.171 20 0 BBADLO O=C1CCN1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000857235050 588898592 /nfs/dbraw/zinc/89/85/92/588898592.db2.gz YBKAKPGBHALYMH-LLVKDONJSA-N 1 2 226.276 -0.333 20 0 BBADLO O=C1CCN1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000857235050 588898591 /nfs/dbraw/zinc/89/85/91/588898591.db2.gz YBKAKPGBHALYMH-LLVKDONJSA-N 1 2 226.276 -0.333 20 0 BBADLO O=C1CCN1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000857235052 588898918 /nfs/dbraw/zinc/89/89/18/588898918.db2.gz YBKAKPGBHALYMH-NSHDSACASA-N 1 2 226.276 -0.333 20 0 BBADLO O=C1CCN1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000857235052 588898916 /nfs/dbraw/zinc/89/89/16/588898916.db2.gz YBKAKPGBHALYMH-NSHDSACASA-N 1 2 226.276 -0.333 20 0 BBADLO COCC[N@@H+](CN1CCC1=O)[C@H]1CCOC1 ZINC000857235160 588899324 /nfs/dbraw/zinc/89/93/24/588899324.db2.gz OYQQJBMLISXQJP-JTQLQIEISA-N 1 2 228.292 -0.087 20 0 BBADLO COCC[N@H+](CN1CCC1=O)[C@H]1CCOC1 ZINC000857235160 588899322 /nfs/dbraw/zinc/89/93/22/588899322.db2.gz OYQQJBMLISXQJP-JTQLQIEISA-N 1 2 228.292 -0.087 20 0 BBADLO COCC[N@@H+](CN1CCC1=O)[C@@H]1CCOC1 ZINC000857235162 588898638 /nfs/dbraw/zinc/89/86/38/588898638.db2.gz OYQQJBMLISXQJP-SNVBAGLBSA-N 1 2 228.292 -0.087 20 0 BBADLO COCC[N@H+](CN1CCC1=O)[C@@H]1CCOC1 ZINC000857235162 588898637 /nfs/dbraw/zinc/89/86/37/588898637.db2.gz OYQQJBMLISXQJP-SNVBAGLBSA-N 1 2 228.292 -0.087 20 0 BBADLO C[N@@H+](C[C@@H]1COCCO1)CN1CCC1=O ZINC000857235806 588899690 /nfs/dbraw/zinc/89/96/90/588899690.db2.gz AMOFIRCPDROMMJ-SECBINFHSA-N 1 2 214.265 -0.477 20 0 BBADLO C[N@H+](C[C@@H]1COCCO1)CN1CCC1=O ZINC000857235806 588899689 /nfs/dbraw/zinc/89/96/89/588899689.db2.gz AMOFIRCPDROMMJ-SECBINFHSA-N 1 2 214.265 -0.477 20 0 BBADLO C[N@@H+](C[C@H]1COCCO1)CN1CCC1=O ZINC000857235807 588900357 /nfs/dbraw/zinc/90/03/57/588900357.db2.gz AMOFIRCPDROMMJ-VIFPVBQESA-N 1 2 214.265 -0.477 20 0 BBADLO C[N@H+](C[C@H]1COCCO1)CN1CCC1=O ZINC000857235807 588900355 /nfs/dbraw/zinc/90/03/55/588900355.db2.gz AMOFIRCPDROMMJ-VIFPVBQESA-N 1 2 214.265 -0.477 20 0 BBADLO O=C1CCN1C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000857235921 588900423 /nfs/dbraw/zinc/90/04/23/588900423.db2.gz CAPCCCFPEVCECP-SECBINFHSA-N 1 2 239.275 -0.297 20 0 BBADLO O=C1CCN1C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000857235921 588900421 /nfs/dbraw/zinc/90/04/21/588900421.db2.gz CAPCCCFPEVCECP-SECBINFHSA-N 1 2 239.275 -0.297 20 0 BBADLO O=C1CCN1C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000857235924 588899778 /nfs/dbraw/zinc/89/97/78/588899778.db2.gz CAPCCCFPEVCECP-VIFPVBQESA-N 1 2 239.275 -0.297 20 0 BBADLO O=C1CCN1C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000857235924 588899776 /nfs/dbraw/zinc/89/97/76/588899776.db2.gz CAPCCCFPEVCECP-VIFPVBQESA-N 1 2 239.275 -0.297 20 0 BBADLO C[C@H]1C(=O)NCCC[N@@H+]1CN1CCC1=O ZINC000857236452 588900410 /nfs/dbraw/zinc/90/04/10/588900410.db2.gz YXNTYURWECLDOQ-QMMMGPOBSA-N 1 2 211.265 -0.613 20 0 BBADLO C[C@H]1C(=O)NCCC[N@H+]1CN1CCC1=O ZINC000857236452 588900408 /nfs/dbraw/zinc/90/04/08/588900408.db2.gz YXNTYURWECLDOQ-QMMMGPOBSA-N 1 2 211.265 -0.613 20 0 BBADLO O=C1CCN1CN1CCn2c[nH+]cc2C1 ZINC000857236492 588899988 /nfs/dbraw/zinc/89/99/88/588899988.db2.gz FLXSRVFEDJBVCC-UHFFFAOYSA-N 1 2 206.249 -0.112 20 0 BBADLO COCCOCC[N@@H+](C)CN1CCC1=O ZINC000857236682 583135897 /nfs/dbraw/zinc/13/58/97/583135897.db2.gz HMFZZKRVYHJBCU-UHFFFAOYSA-N 1 2 216.281 -0.229 20 0 BBADLO COCCOCC[N@H+](C)CN1CCC1=O ZINC000857236682 583135895 /nfs/dbraw/zinc/13/58/95/583135895.db2.gz HMFZZKRVYHJBCU-UHFFFAOYSA-N 1 2 216.281 -0.229 20 0 BBADLO COC(=O)N(C)CC[N@@H+](C)CN1CCC1=O ZINC000857237415 645540905 /nfs/dbraw/zinc/54/09/05/645540905.db2.gz UVPUHPWZFPAYDG-UHFFFAOYSA-N 1 2 229.280 -0.194 20 0 BBADLO COC(=O)N(C)CC[N@H+](C)CN1CCC1=O ZINC000857237415 645540898 /nfs/dbraw/zinc/54/08/98/645540898.db2.gz UVPUHPWZFPAYDG-UHFFFAOYSA-N 1 2 229.280 -0.194 20 0 BBADLO O=C1CCN1C[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000857237647 588900782 /nfs/dbraw/zinc/90/07/82/588900782.db2.gz YOUJGRSZIGQJJI-BDAKNGLRSA-N 1 2 239.275 -0.394 20 0 BBADLO O=C1CCN1C[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000857237647 588900781 /nfs/dbraw/zinc/90/07/81/588900781.db2.gz YOUJGRSZIGQJJI-BDAKNGLRSA-N 1 2 239.275 -0.394 20 0 BBADLO COC(=O)[C@H]1[C@@H]2C[N@H+](CN3CCC3=O)C[C@@H]21 ZINC000857237865 588901142 /nfs/dbraw/zinc/90/11/42/588901142.db2.gz VPKLSFHACUUVDJ-MBTKJCJQSA-N 1 2 224.260 -0.473 20 0 BBADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](CN3CCC3=O)C[C@@H]21 ZINC000857237865 588901140 /nfs/dbraw/zinc/90/11/40/588901140.db2.gz VPKLSFHACUUVDJ-MBTKJCJQSA-N 1 2 224.260 -0.473 20 0 BBADLO O=C1CCN1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000857237956 588900717 /nfs/dbraw/zinc/90/07/17/588900717.db2.gz YFKLUFDKLMWJNZ-SECBINFHSA-N 1 2 220.219 -0.122 20 0 BBADLO O=C1CCN1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000857237956 588900715 /nfs/dbraw/zinc/90/07/15/588900715.db2.gz YFKLUFDKLMWJNZ-SECBINFHSA-N 1 2 220.219 -0.122 20 0 BBADLO O=C1CCN1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000857237957 588900900 /nfs/dbraw/zinc/90/09/00/588900900.db2.gz YFKLUFDKLMWJNZ-VIFPVBQESA-N 1 2 220.219 -0.122 20 0 BBADLO O=C1CCN1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000857237957 588900899 /nfs/dbraw/zinc/90/08/99/588900899.db2.gz YFKLUFDKLMWJNZ-VIFPVBQESA-N 1 2 220.219 -0.122 20 0 BBADLO COC(=O)NC1CC[NH+](CN2CCC2=O)CC1 ZINC000857238232 588900950 /nfs/dbraw/zinc/90/09/50/588900950.db2.gz IDMGWIQKETVWJS-UHFFFAOYSA-N 1 2 241.291 -0.003 20 0 BBADLO Cn1c[nH+]cc1CC(=O)NOC(C)(C)CO ZINC000857284627 588903459 /nfs/dbraw/zinc/90/34/59/588903459.db2.gz PEMXICFSSMVICD-UHFFFAOYSA-N 1 2 227.264 -0.219 20 0 BBADLO C[NH+]1CCN(CC(=O)NOC(C)(C)CO)CC1 ZINC000857284964 588903531 /nfs/dbraw/zinc/90/35/31/588903531.db2.gz NWUGLHDFXWVPAM-UHFFFAOYSA-N 1 2 245.323 -0.948 20 0 BBADLO COC(=O)NCCNC(=O)CCn1cc[nH+]c1 ZINC000857530594 645598857 /nfs/dbraw/zinc/59/88/57/645598857.db2.gz NTJSYSXRAHHLGV-UHFFFAOYSA-N 1 2 240.263 -0.255 20 0 BBADLO CON(C)C(=O)CNC(=O)CCn1cc[nH+]c1 ZINC000857541717 645606839 /nfs/dbraw/zinc/60/68/39/645606839.db2.gz HYLCQFJQHMTNGT-UHFFFAOYSA-N 1 2 240.263 -0.591 20 0 BBADLO CCn1[nH]c(C)nc1=NC(=O)Cc1c[nH+]cn1C ZINC000857552002 645612237 /nfs/dbraw/zinc/61/22/37/645612237.db2.gz GTQOAPYVLWNVBD-UHFFFAOYSA-N 1 2 248.290 -0.057 20 0 BBADLO CCn1[nH]c(C)nc1=NC(=O)Cn1cc[nH+]c1 ZINC000857552503 645611656 /nfs/dbraw/zinc/61/16/56/645611656.db2.gz NRHHCNCHEZRDJC-UHFFFAOYSA-N 1 2 234.263 -0.136 20 0 BBADLO CCn1[nH]c(C)nc1=NC(=O)Cc1[nH]cc[nH+]1 ZINC000857552796 645611167 /nfs/dbraw/zinc/61/11/67/645611167.db2.gz QOWLXMIHJDZTFY-UHFFFAOYSA-N 1 2 234.263 -0.067 20 0 BBADLO NC(=O)NC(=O)CC[N@H+]1Cc2ccncc2C1 ZINC000857874593 588918479 /nfs/dbraw/zinc/91/84/79/588918479.db2.gz UGSQJXHBIVZNQE-UHFFFAOYSA-N 1 2 234.259 -0.018 20 0 BBADLO NC(=O)NC(=O)CC[N@@H+]1Cc2ccncc2C1 ZINC000857874593 588918478 /nfs/dbraw/zinc/91/84/78/588918478.db2.gz UGSQJXHBIVZNQE-UHFFFAOYSA-N 1 2 234.259 -0.018 20 0 BBADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1COC(=O)N1 ZINC000857884972 588920411 /nfs/dbraw/zinc/92/04/11/588920411.db2.gz NKLSAIZGIRQVSV-SVRRBLITSA-N 1 2 236.231 -0.968 20 0 BBADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1COC(=O)N1 ZINC000857884974 588920782 /nfs/dbraw/zinc/92/07/82/588920782.db2.gz NKLSAIZGIRQVSV-XPUUQOCRSA-N 1 2 236.231 -0.968 20 0 BBADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1COC(=O)N1 ZINC000857885290 588920426 /nfs/dbraw/zinc/92/04/26/588920426.db2.gz NKLSAIZGIRQVSV-HTRCEHHLSA-N 1 2 236.231 -0.968 20 0 BBADLO C=CC(=O)N(C)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857885585 588920576 /nfs/dbraw/zinc/92/05/76/588920576.db2.gz WKRRCCKWWIXACB-SECBINFHSA-N 1 2 248.286 -0.432 20 0 BBADLO C=CC(=O)N(C)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857885586 588920506 /nfs/dbraw/zinc/92/05/06/588920506.db2.gz WKRRCCKWWIXACB-VIFPVBQESA-N 1 2 248.286 -0.432 20 0 BBADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1COC(=O)N1 ZINC000857885720 588920524 /nfs/dbraw/zinc/92/05/24/588920524.db2.gz NKLSAIZGIRQVSV-POYBYMJQSA-N 1 2 236.231 -0.968 20 0 BBADLO CCn1ncc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)n1 ZINC000857886039 588921388 /nfs/dbraw/zinc/92/13/88/588921388.db2.gz SHZWSFHJCJZJRN-MRVPVSSYSA-N 1 2 246.274 -0.151 20 0 BBADLO CCn1ncc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)n1 ZINC000857886044 588921144 /nfs/dbraw/zinc/92/11/44/588921144.db2.gz SHZWSFHJCJZJRN-QMMMGPOBSA-N 1 2 246.274 -0.151 20 0 BBADLO CC[C@H](CO)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857887114 588921168 /nfs/dbraw/zinc/92/11/68/588921168.db2.gz NUOKSLWSMLERNC-BDAKNGLRSA-N 1 2 223.276 -0.058 20 0 BBADLO CC[C@@H](CO)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857887115 588921165 /nfs/dbraw/zinc/92/11/65/588921165.db2.gz NUOKSLWSMLERNC-DTWKUNHWSA-N 1 2 223.276 -0.058 20 0 BBADLO CC[C@@H](CO)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857887116 588921207 /nfs/dbraw/zinc/92/12/07/588921207.db2.gz NUOKSLWSMLERNC-IUCAKERBSA-N 1 2 223.276 -0.058 20 0 BBADLO CC[C@H](CO)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857887117 588921192 /nfs/dbraw/zinc/92/11/92/588921192.db2.gz NUOKSLWSMLERNC-RKDXNWHRSA-N 1 2 223.276 -0.058 20 0 BBADLO O=C(CC1OCCO1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857888254 588921417 /nfs/dbraw/zinc/92/14/17/588921417.db2.gz XAEVERYPFMJSAP-MRVPVSSYSA-N 1 2 237.259 -0.313 20 0 BBADLO O=C(CC1OCCO1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857888255 588921315 /nfs/dbraw/zinc/92/13/15/588921315.db2.gz XAEVERYPFMJSAP-QMMMGPOBSA-N 1 2 237.259 -0.313 20 0 BBADLO Cc1nonc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857889239 588921002 /nfs/dbraw/zinc/92/10/02/588921002.db2.gz ITEKAOUGLIEFGE-SSDOTTSWSA-N 1 2 233.231 -0.071 20 0 BBADLO Cc1nonc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857889241 588921161 /nfs/dbraw/zinc/92/11/61/588921161.db2.gz ITEKAOUGLIEFGE-ZETCQYMHSA-N 1 2 233.231 -0.071 20 0 BBADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1nnc[nH]1 ZINC000857890659 588921522 /nfs/dbraw/zinc/92/15/22/588921522.db2.gz YAHSZOXCARGMTO-LURJTMIESA-N 1 2 218.220 -0.644 20 0 BBADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1nnc[nH]1 ZINC000857890660 588921309 /nfs/dbraw/zinc/92/13/09/588921309.db2.gz YAHSZOXCARGMTO-ZCFIWIBFSA-N 1 2 218.220 -0.644 20 0 BBADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1=COCCO1 ZINC000857892818 588921644 /nfs/dbraw/zinc/92/16/44/588921644.db2.gz IUJWRJQUGJOJBI-MRVPVSSYSA-N 1 2 235.243 -0.188 20 0 BBADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1=COCCO1 ZINC000857892819 588921874 /nfs/dbraw/zinc/92/18/74/588921874.db2.gz IUJWRJQUGJOJBI-QMMMGPOBSA-N 1 2 235.243 -0.188 20 0 BBADLO Nc1ncc2c(n1)C[N@H+](CC1OCCO1)CC2 ZINC000857924457 588923986 /nfs/dbraw/zinc/92/39/86/588923986.db2.gz UYCZDMFDNFSBBO-UHFFFAOYSA-N 1 2 236.275 -0.210 20 0 BBADLO Nc1ncc2c(n1)C[N@@H+](CC1OCCO1)CC2 ZINC000857924457 588923985 /nfs/dbraw/zinc/92/39/85/588923985.db2.gz UYCZDMFDNFSBBO-UHFFFAOYSA-N 1 2 236.275 -0.210 20 0 BBADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1nnc[nH]1 ZINC000857949730 588925055 /nfs/dbraw/zinc/92/50/55/588925055.db2.gz CNFKNKZLSLVOAD-SSDOTTSWSA-N 1 2 232.247 -0.254 20 0 BBADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1nnc[nH]1 ZINC000857949731 588925072 /nfs/dbraw/zinc/92/50/72/588925072.db2.gz CNFKNKZLSLVOAD-ZETCQYMHSA-N 1 2 232.247 -0.254 20 0 BBADLO CN1C[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)NC1=O ZINC000857979080 588927375 /nfs/dbraw/zinc/92/73/75/588927375.db2.gz UHQZILSGTYZWLY-HTQZYQBOSA-N 1 2 249.274 -0.532 20 0 BBADLO CN1C[C@H](C(=O)N[C@H]2CCn3c[nH+]cc32)NC1=O ZINC000857979081 588927240 /nfs/dbraw/zinc/92/72/40/588927240.db2.gz UHQZILSGTYZWLY-JGVFFNPUSA-N 1 2 249.274 -0.532 20 0 BBADLO CN1C[C@@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)NC1=O ZINC000857979082 588927586 /nfs/dbraw/zinc/92/75/86/588927586.db2.gz UHQZILSGTYZWLY-SFYZADRCSA-N 1 2 249.274 -0.532 20 0 BBADLO CN1C[C@@H](C(=O)N[C@H]2CCn3c[nH+]cc32)NC1=O ZINC000857979083 588927640 /nfs/dbraw/zinc/92/76/40/588927640.db2.gz UHQZILSGTYZWLY-YUMQZZPRSA-N 1 2 249.274 -0.532 20 0 BBADLO CN1C[C@H](C(=O)N[C@H]2CCn3c[nH+]cc32)CC1=O ZINC000857988405 588929077 /nfs/dbraw/zinc/92/90/77/588929077.db2.gz FKSFVRHYTGCEEO-BDAKNGLRSA-N 1 2 248.286 -0.078 20 0 BBADLO CN1C[C@@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)CC1=O ZINC000857988407 588929459 /nfs/dbraw/zinc/92/94/59/588929459.db2.gz FKSFVRHYTGCEEO-DTWKUNHWSA-N 1 2 248.286 -0.078 20 0 BBADLO CN1C[C@@H](C(=O)N[C@H]2CCn3c[nH+]cc32)CC1=O ZINC000857988409 588929065 /nfs/dbraw/zinc/92/90/65/588929065.db2.gz FKSFVRHYTGCEEO-IUCAKERBSA-N 1 2 248.286 -0.078 20 0 BBADLO CN1C[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)CC1=O ZINC000857988410 588929325 /nfs/dbraw/zinc/92/93/25/588929325.db2.gz FKSFVRHYTGCEEO-RKDXNWHRSA-N 1 2 248.286 -0.078 20 0 BBADLO Cc1c[nH+]c2c(c1)N(C(=O)CNC(N)=O)CCN2 ZINC000857995003 588929845 /nfs/dbraw/zinc/92/98/45/588929845.db2.gz PRISEDKKVWMLCG-UHFFFAOYSA-N 1 2 249.274 -0.183 20 0 BBADLO CCONC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000858099131 588932718 /nfs/dbraw/zinc/93/27/18/588932718.db2.gz WQNCISFFSVBHMA-MRVPVSSYSA-N 1 2 217.269 -0.432 20 0 BBADLO CCONC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000858099131 588932717 /nfs/dbraw/zinc/93/27/17/588932717.db2.gz WQNCISFFSVBHMA-MRVPVSSYSA-N 1 2 217.269 -0.432 20 0 BBADLO CCONC(=O)NC[C@H]1COCC[N@H+]1C ZINC000858099132 588932853 /nfs/dbraw/zinc/93/28/53/588932853.db2.gz WQNCISFFSVBHMA-QMMMGPOBSA-N 1 2 217.269 -0.432 20 0 BBADLO CCONC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000858099132 588932851 /nfs/dbraw/zinc/93/28/51/588932851.db2.gz WQNCISFFSVBHMA-QMMMGPOBSA-N 1 2 217.269 -0.432 20 0 BBADLO CCON(CC)C(=O)C[NH2+]Cc1cn(C)nn1 ZINC000858220016 588939448 /nfs/dbraw/zinc/93/94/48/588939448.db2.gz IKSNRKJZQHNRQR-UHFFFAOYSA-N 1 2 241.295 -0.295 20 0 BBADLO CCON(CC)C(=O)C[NH2+]Cc1cnn(C)n1 ZINC000858222879 588939359 /nfs/dbraw/zinc/93/93/59/588939359.db2.gz JQDCNHSTDOFCIF-UHFFFAOYSA-N 1 2 241.295 -0.295 20 0 BBADLO CON(C)C(=O)[C@H](C)[NH2+]Cc1cn(C)cn1 ZINC000858319316 588944941 /nfs/dbraw/zinc/94/49/41/588944941.db2.gz GCVRDGDYCZTTLH-QMMMGPOBSA-N 1 2 226.280 -0.082 20 0 BBADLO CON(C)C(=O)[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC000858319364 588945055 /nfs/dbraw/zinc/94/50/55/588945055.db2.gz HPTDIZFZDIGZBZ-ZETCQYMHSA-N 1 2 227.268 -0.687 20 0 BBADLO CCn1ncc(C[NH2+][C@@H](C)C(=O)N(C)OC)n1 ZINC000858319410 582458948 /nfs/dbraw/zinc/45/89/48/582458948.db2.gz JHOQDKLMPNDGSE-QMMMGPOBSA-N 1 2 241.295 -0.204 20 0 BBADLO CON(C)C(=O)[C@H](C)[NH2+]Cc1ncc[nH]1 ZINC000858319569 588944739 /nfs/dbraw/zinc/94/47/39/588944739.db2.gz BUFODZZBVRBBEC-ZETCQYMHSA-N 1 2 212.253 -0.092 20 0 BBADLO CON(C)C(=O)[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC000858319794 588942712 /nfs/dbraw/zinc/94/27/12/588942712.db2.gz HECAYSZLCPBTMQ-QMMMGPOBSA-N 1 2 226.280 -0.082 20 0 BBADLO CON(C)C(=O)[C@H](C)[NH2+]Cc1nccn1C ZINC000858320069 588945216 /nfs/dbraw/zinc/94/52/16/588945216.db2.gz MYNFOIRSAWRBAM-QMMMGPOBSA-N 1 2 226.280 -0.082 20 0 BBADLO CON(C)C(=O)[C@H](C)[NH2+]Cc1cc[nH]n1 ZINC000858320388 588945186 /nfs/dbraw/zinc/94/51/86/588945186.db2.gz UUHFODLADCTTHL-ZETCQYMHSA-N 1 2 212.253 -0.092 20 0 BBADLO CON(C)C(=O)[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC000858320398 588944830 /nfs/dbraw/zinc/94/48/30/588944830.db2.gz UYTFQWGXIDHGIY-ZETCQYMHSA-N 1 2 227.268 -0.687 20 0 BBADLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1cn(C)cn1 ZINC000858322698 588945409 /nfs/dbraw/zinc/94/54/09/588945409.db2.gz GCVRDGDYCZTTLH-MRVPVSSYSA-N 1 2 226.280 -0.082 20 0 BBADLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC000858322743 588945478 /nfs/dbraw/zinc/94/54/78/588945478.db2.gz HPTDIZFZDIGZBZ-SSDOTTSWSA-N 1 2 227.268 -0.687 20 0 BBADLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1cnccn1 ZINC000858323596 588945436 /nfs/dbraw/zinc/94/54/36/588945436.db2.gz YJBOSXYGKYCCRF-MRVPVSSYSA-N 1 2 224.264 -0.026 20 0 BBADLO CCn1ncc(C[NH2+][C@H](C)C(=O)N(C)OC)n1 ZINC000858323615 588945740 /nfs/dbraw/zinc/94/57/40/588945740.db2.gz JHOQDKLMPNDGSE-MRVPVSSYSA-N 1 2 241.295 -0.204 20 0 BBADLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1ncc[nH]1 ZINC000858324615 588945534 /nfs/dbraw/zinc/94/55/34/588945534.db2.gz BUFODZZBVRBBEC-SSDOTTSWSA-N 1 2 212.253 -0.092 20 0 BBADLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC000858324819 588945455 /nfs/dbraw/zinc/94/54/55/588945455.db2.gz HECAYSZLCPBTMQ-MRVPVSSYSA-N 1 2 226.280 -0.082 20 0 BBADLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1nccn1C ZINC000858325123 588945449 /nfs/dbraw/zinc/94/54/49/588945449.db2.gz MYNFOIRSAWRBAM-MRVPVSSYSA-N 1 2 226.280 -0.082 20 0 BBADLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1cc[nH]n1 ZINC000858325291 588945337 /nfs/dbraw/zinc/94/53/37/588945337.db2.gz UUHFODLADCTTHL-SSDOTTSWSA-N 1 2 212.253 -0.092 20 0 BBADLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC000858325298 588945397 /nfs/dbraw/zinc/94/53/97/588945397.db2.gz UYTFQWGXIDHGIY-SSDOTTSWSA-N 1 2 227.268 -0.687 20 0 BBADLO CCCOC(=O)CCNc1nc(N)nc(N)[nH+]1 ZINC000858399489 588951628 /nfs/dbraw/zinc/95/16/28/588951628.db2.gz HAWILLPBFNSTFB-UHFFFAOYSA-N 1 2 240.267 -0.209 20 0 BBADLO CC[S@](=O)CCNc1nc(N)nc(N)[nH+]1 ZINC000858405691 588951679 /nfs/dbraw/zinc/95/16/79/588951679.db2.gz NINVQMZPEAYLHP-HNNXBMFYSA-N 1 2 230.297 -0.784 20 0 BBADLO CC[S@@](=O)CCNc1nc(N)nc(N)[nH+]1 ZINC000858405692 588951599 /nfs/dbraw/zinc/95/15/99/588951599.db2.gz NINVQMZPEAYLHP-OAHLLOKOSA-N 1 2 230.297 -0.784 20 0 BBADLO COCCONC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000858407382 588952204 /nfs/dbraw/zinc/95/22/04/588952204.db2.gz HSOFUQCKCDCGSK-SECBINFHSA-N 1 2 247.295 -0.806 20 0 BBADLO COCCONC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000858407382 588952203 /nfs/dbraw/zinc/95/22/03/588952203.db2.gz HSOFUQCKCDCGSK-SECBINFHSA-N 1 2 247.295 -0.806 20 0 BBADLO COCCONC(=O)NC[C@H]1COCC[N@H+]1C ZINC000858407383 588951937 /nfs/dbraw/zinc/95/19/37/588951937.db2.gz HSOFUQCKCDCGSK-VIFPVBQESA-N 1 2 247.295 -0.806 20 0 BBADLO COCCONC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000858407383 588951935 /nfs/dbraw/zinc/95/19/35/588951935.db2.gz HSOFUQCKCDCGSK-VIFPVBQESA-N 1 2 247.295 -0.806 20 0 BBADLO CCc1cc(CNc2nc(N)nc(N)[nH+]2)[nH]n1 ZINC000858407872 588951841 /nfs/dbraw/zinc/95/18/41/588951841.db2.gz MTWJPBORZRITKW-UHFFFAOYSA-N 1 2 234.267 -0.066 20 0 BBADLO CC(C)[C@H](NC=O)C(=O)NCCn1cc[nH+]c1 ZINC000858460495 588956720 /nfs/dbraw/zinc/95/67/20/588956720.db2.gz ARSVIVPIHUDAKN-JTQLQIEISA-N 1 2 238.291 -0.230 20 0 BBADLO C=CC(=O)N(C)CC(=O)NCCn1cc[nH+]c1 ZINC000858460805 588957020 /nfs/dbraw/zinc/95/70/20/588957020.db2.gz DTZXOIKDFPOXRH-UHFFFAOYSA-N 1 2 236.275 -0.356 20 0 BBADLO O=C(NCCn1cc[nH+]c1)[C@H]1CCOC(=O)N1 ZINC000858461021 588956885 /nfs/dbraw/zinc/95/68/85/588956885.db2.gz GQUCFCJNYRGWGN-MRVPVSSYSA-N 1 2 238.247 -0.502 20 0 BBADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CCOC(=O)N1 ZINC000858461022 588956745 /nfs/dbraw/zinc/95/67/45/588956745.db2.gz GQUCFCJNYRGWGN-QMMMGPOBSA-N 1 2 238.247 -0.502 20 0 BBADLO O=C(NCCn1cc[nH+]c1)[C@@H]1COC(=O)N1 ZINC000858462838 588957417 /nfs/dbraw/zinc/95/74/17/588957417.db2.gz YVMCVRHTIQZPGQ-ZETCQYMHSA-N 1 2 224.220 -0.892 20 0 BBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1COC(=O)N1 ZINC000858512795 588961702 /nfs/dbraw/zinc/96/17/02/588961702.db2.gz HBQMVJJVWIQTNE-SFYZADRCSA-N 1 2 238.247 -0.504 20 0 BBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1COC(=O)N1 ZINC000858512796 588961652 /nfs/dbraw/zinc/96/16/52/588961652.db2.gz HBQMVJJVWIQTNE-YUMQZZPRSA-N 1 2 238.247 -0.504 20 0 BBADLO CNC(=O)[C@H](O)CNc1[nH+]cccc1OC ZINC000858513893 588961884 /nfs/dbraw/zinc/96/18/84/588961884.db2.gz OUFITALICWTVAF-SSDOTTSWSA-N 1 2 225.248 -0.391 20 0 BBADLO CNC(=O)[C@@H](O)CNc1[nH+]cccc1OC ZINC000858513894 588961858 /nfs/dbraw/zinc/96/18/58/588961858.db2.gz OUFITALICWTVAF-ZETCQYMHSA-N 1 2 225.248 -0.391 20 0 BBADLO CN(C)C(=O)OCCNc1nc(N)nc(N)[nH+]1 ZINC000858625984 588972042 /nfs/dbraw/zinc/97/20/42/588972042.db2.gz JDAOSVUNPVXQMV-UHFFFAOYSA-N 1 2 241.255 -0.854 20 0 BBADLO CC(C)ONC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000858838258 588978021 /nfs/dbraw/zinc/97/80/21/588978021.db2.gz CEBZBGYSRRWHRG-SECBINFHSA-N 1 2 231.296 -0.044 20 0 BBADLO CC(C)ONC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000858838258 588978020 /nfs/dbraw/zinc/97/80/20/588978020.db2.gz CEBZBGYSRRWHRG-SECBINFHSA-N 1 2 231.296 -0.044 20 0 BBADLO CC(C)ONC(=O)NC[C@H]1COCC[N@H+]1C ZINC000858838259 588977925 /nfs/dbraw/zinc/97/79/25/588977925.db2.gz CEBZBGYSRRWHRG-VIFPVBQESA-N 1 2 231.296 -0.044 20 0 BBADLO CC(C)ONC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000858838259 588977923 /nfs/dbraw/zinc/97/79/23/588977923.db2.gz CEBZBGYSRRWHRG-VIFPVBQESA-N 1 2 231.296 -0.044 20 0 BBADLO CONC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000858844852 588978392 /nfs/dbraw/zinc/97/83/92/588978392.db2.gz XSBCMJNARINWTM-SSDOTTSWSA-N 1 2 203.242 -0.822 20 0 BBADLO CONC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000858844852 588978391 /nfs/dbraw/zinc/97/83/91/588978391.db2.gz XSBCMJNARINWTM-SSDOTTSWSA-N 1 2 203.242 -0.822 20 0 BBADLO CONC(=O)NC[C@H]1COCC[N@H+]1C ZINC000858844853 588978397 /nfs/dbraw/zinc/97/83/97/588978397.db2.gz XSBCMJNARINWTM-ZETCQYMHSA-N 1 2 203.242 -0.822 20 0 BBADLO CONC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000858844853 588978396 /nfs/dbraw/zinc/97/83/96/588978396.db2.gz XSBCMJNARINWTM-ZETCQYMHSA-N 1 2 203.242 -0.822 20 0 BBADLO O=C(OCCF)N1CC[NH+](CCO)CC1 ZINC000858882184 588981593 /nfs/dbraw/zinc/98/15/93/588981593.db2.gz BZKOMEFCQKEACB-UHFFFAOYSA-N 1 2 220.244 -0.298 20 0 BBADLO CN1CC[N@@H+](C)[C@H](CNC(=O)OCCF)C1 ZINC000858974824 588987714 /nfs/dbraw/zinc/98/77/14/588987714.db2.gz NAYFPVYDVJZRKR-SECBINFHSA-N 1 2 233.287 -0.072 20 0 BBADLO CN1CC[N@H+](C)[C@H](CNC(=O)OCCF)C1 ZINC000858974824 588987713 /nfs/dbraw/zinc/98/77/13/588987713.db2.gz NAYFPVYDVJZRKR-SECBINFHSA-N 1 2 233.287 -0.072 20 0 BBADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)OCCF)C1 ZINC000858974825 588987477 /nfs/dbraw/zinc/98/74/77/588987477.db2.gz NAYFPVYDVJZRKR-VIFPVBQESA-N 1 2 233.287 -0.072 20 0 BBADLO CN1CC[N@H+](C)[C@@H](CNC(=O)OCCF)C1 ZINC000858974825 588987476 /nfs/dbraw/zinc/98/74/76/588987476.db2.gz NAYFPVYDVJZRKR-VIFPVBQESA-N 1 2 233.287 -0.072 20 0 BBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)OCCF ZINC000859074789 588997782 /nfs/dbraw/zinc/99/77/82/588997782.db2.gz NWDYSPHPRZAJLX-SECBINFHSA-N 1 2 231.271 -0.318 20 0 BBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)OCCF ZINC000859074790 588997687 /nfs/dbraw/zinc/99/76/87/588997687.db2.gz NWDYSPHPRZAJLX-VIFPVBQESA-N 1 2 231.271 -0.318 20 0 BBADLO CCCOC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000859089699 588999807 /nfs/dbraw/zinc/99/98/07/588999807.db2.gz JAYJVJNAYYCWRU-UHFFFAOYSA-N 1 2 243.307 -0.056 20 0 BBADLO CCCOC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000859089699 588999805 /nfs/dbraw/zinc/99/98/05/588999805.db2.gz JAYJVJNAYYCWRU-UHFFFAOYSA-N 1 2 243.307 -0.056 20 0 BBADLO O=C(NCCC[N@H+]1CCNC(=O)C1)OCCF ZINC000859089767 588999643 /nfs/dbraw/zinc/99/96/43/588999643.db2.gz KQWLAKWOSUNNEK-UHFFFAOYSA-N 1 2 247.270 -0.496 20 0 BBADLO O=C(NCCC[N@@H+]1CCNC(=O)C1)OCCF ZINC000859089767 588999642 /nfs/dbraw/zinc/99/96/42/588999642.db2.gz KQWLAKWOSUNNEK-UHFFFAOYSA-N 1 2 247.270 -0.496 20 0 BBADLO CCOC(=O)C[N@@H+](C)CCc1cn(C)nn1 ZINC000859105366 589002457 /nfs/dbraw/zinc/00/24/57/589002457.db2.gz MCHBPBZPCXFJED-UHFFFAOYSA-N 1 2 226.280 -0.148 20 0 BBADLO CCOC(=O)C[N@H+](C)CCc1cn(C)nn1 ZINC000859105366 589002456 /nfs/dbraw/zinc/00/24/56/589002456.db2.gz MCHBPBZPCXFJED-UHFFFAOYSA-N 1 2 226.280 -0.148 20 0 BBADLO COC(=O)C(C)(C)[NH2+]CCc1cn(C)nn1 ZINC000859117496 589004173 /nfs/dbraw/zinc/00/41/73/589004173.db2.gz MXBORSRLUIOHKJ-UHFFFAOYSA-N 1 2 226.280 -0.101 20 0 BBADLO CC[N@@H+](CCc1cn(C)nn1)CC(=O)OC ZINC000859118306 589004952 /nfs/dbraw/zinc/00/49/52/589004952.db2.gz LOJSXAPOSJBJDO-UHFFFAOYSA-N 1 2 226.280 -0.148 20 0 BBADLO CC[N@H+](CCc1cn(C)nn1)CC(=O)OC ZINC000859118306 589004950 /nfs/dbraw/zinc/00/49/50/589004950.db2.gz LOJSXAPOSJBJDO-UHFFFAOYSA-N 1 2 226.280 -0.148 20 0 BBADLO CCOC(=O)C[C@@H](O)C[N@@H+](CC)CC(=O)OC ZINC000859118753 589005018 /nfs/dbraw/zinc/00/50/18/589005018.db2.gz SBVHOLRNWMZVLX-SECBINFHSA-N 1 2 247.291 -0.205 20 0 BBADLO CCOC(=O)C[C@@H](O)C[N@H+](CC)CC(=O)OC ZINC000859118753 589005016 /nfs/dbraw/zinc/00/50/16/589005016.db2.gz SBVHOLRNWMZVLX-SECBINFHSA-N 1 2 247.291 -0.205 20 0 BBADLO CCOC(=O)C[C@H](O)C[N@@H+](CC)CC(=O)OC ZINC000859118754 589004723 /nfs/dbraw/zinc/00/47/23/589004723.db2.gz SBVHOLRNWMZVLX-VIFPVBQESA-N 1 2 247.291 -0.205 20 0 BBADLO CCOC(=O)C[C@H](O)C[N@H+](CC)CC(=O)OC ZINC000859118754 589004721 /nfs/dbraw/zinc/00/47/21/589004721.db2.gz SBVHOLRNWMZVLX-VIFPVBQESA-N 1 2 247.291 -0.205 20 0 BBADLO Cn1cc(CC[N@H+]2CCNC(=O)C2(C)C)nn1 ZINC000859141643 589008515 /nfs/dbraw/zinc/00/85/15/589008515.db2.gz KPSSUTJCNVWQIU-UHFFFAOYSA-N 1 2 237.307 -0.432 20 0 BBADLO Cn1cc(CC[N@@H+]2CCNC(=O)C2(C)C)nn1 ZINC000859141643 589008514 /nfs/dbraw/zinc/00/85/14/589008514.db2.gz KPSSUTJCNVWQIU-UHFFFAOYSA-N 1 2 237.307 -0.432 20 0 BBADLO O[C@@H]1C[N@H+](Cc2ccnc(F)c2)C[C@@H]1O ZINC000859154204 589010525 /nfs/dbraw/zinc/01/05/25/589010525.db2.gz ZIWHUJZSSUDIAB-DTORHVGOSA-N 1 2 212.224 -0.242 20 0 BBADLO O[C@@H]1C[N@@H+](Cc2ccnc(F)c2)C[C@@H]1O ZINC000859154204 589010524 /nfs/dbraw/zinc/01/05/24/589010524.db2.gz ZIWHUJZSSUDIAB-DTORHVGOSA-N 1 2 212.224 -0.242 20 0 BBADLO CC(C)[C@H](NC=O)C(=O)NCc1[nH+]ccn1C ZINC000859182432 589015616 /nfs/dbraw/zinc/01/56/16/589015616.db2.gz SFYPIYNURHJUHC-JTQLQIEISA-N 1 2 238.291 -0.193 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1COC(=O)N1 ZINC000859268436 589025698 /nfs/dbraw/zinc/02/56/98/589025698.db2.gz JRCUAUISOQPOOW-QMMMGPOBSA-N 1 2 221.216 -0.141 20 0 BBADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCc1cn(C)nn1 ZINC000859269785 589025679 /nfs/dbraw/zinc/02/56/79/589025679.db2.gz GHWOZXSOGUZEAL-SECBINFHSA-N 1 2 237.307 -0.480 20 0 BBADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCc1cn(C)nn1 ZINC000859269785 589025677 /nfs/dbraw/zinc/02/56/77/589025677.db2.gz GHWOZXSOGUZEAL-SECBINFHSA-N 1 2 237.307 -0.480 20 0 BBADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1COC(=O)N1 ZINC000859278724 589027501 /nfs/dbraw/zinc/02/75/01/589027501.db2.gz UNYFTRVLEIYHOC-LURJTMIESA-N 1 2 224.220 -0.524 20 0 BBADLO O=C1CC[C@@H](N2CCc3[nH+]c[nH]c3C2)C(=O)N1 ZINC000859307738 589029752 /nfs/dbraw/zinc/02/97/52/589029752.db2.gz IIOGQEBWNFWEIO-SECBINFHSA-N 1 2 234.259 -0.427 20 0 BBADLO O=C1CC[C@H](N2CCc3[nH+]c[nH]c3C2)C(=O)N1 ZINC000859307739 589030121 /nfs/dbraw/zinc/03/01/21/589030121.db2.gz IIOGQEBWNFWEIO-VIFPVBQESA-N 1 2 234.259 -0.427 20 0 BBADLO CON(C)C(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000859308620 589029715 /nfs/dbraw/zinc/02/97/15/589029715.db2.gz YANWTJIDVHXHDB-UHFFFAOYSA-N 1 2 224.264 -0.212 20 0 BBADLO C[C@@]1([NH2+]C[C@@H](O)CC2(O)CCC2)CCOC1=O ZINC000859309402 589030085 /nfs/dbraw/zinc/03/00/85/589030085.db2.gz NSBJBBOOOJZLCI-GXSJLCMTSA-N 1 2 243.303 -0.052 20 0 BBADLO C[C@]1([NH2+]C[C@H](O)CC2(O)CCC2)CCOC1=O ZINC000859309403 589030032 /nfs/dbraw/zinc/03/00/32/589030032.db2.gz NSBJBBOOOJZLCI-KOLCDFICSA-N 1 2 243.303 -0.052 20 0 BBADLO C[C@@]1([NH2+]C[C@H](O)CC2(O)CCC2)CCOC1=O ZINC000859309404 589029636 /nfs/dbraw/zinc/02/96/36/589029636.db2.gz NSBJBBOOOJZLCI-MWLCHTKSSA-N 1 2 243.303 -0.052 20 0 BBADLO C[C@]1([NH2+]C[C@@H](O)CC2(O)CCC2)CCOC1=O ZINC000859309405 582488320 /nfs/dbraw/zinc/48/83/20/582488320.db2.gz NSBJBBOOOJZLCI-ONGXEEELSA-N 1 2 243.303 -0.052 20 0 BBADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1COC(=O)N1 ZINC000859318972 589031113 /nfs/dbraw/zinc/03/11/13/589031113.db2.gz JYBVAWGMMYANKI-LURJTMIESA-N 1 2 224.220 -0.823 20 0 BBADLO CC(C)[C@H](NC=O)C(=O)NCCc1[nH]cc[nH+]1 ZINC000859319094 589031391 /nfs/dbraw/zinc/03/13/91/589031391.db2.gz LSDOXHJUXKPKMU-JTQLQIEISA-N 1 2 238.291 -0.161 20 0 BBADLO CCOC(=O)C[C@H](O)C[NH+]1CCN(OC)CC1 ZINC000859326014 589031921 /nfs/dbraw/zinc/03/19/21/589031921.db2.gz BCYYVGQUCSLNEK-JTQLQIEISA-N 1 2 246.307 -0.521 20 0 BBADLO CCOC(=O)C[C@@H](O)C[NH+]1CCN(OC)CC1 ZINC000859326015 589032027 /nfs/dbraw/zinc/03/20/27/589032027.db2.gz BCYYVGQUCSLNEK-SNVBAGLBSA-N 1 2 246.307 -0.521 20 0 BBADLO O=C([C@@H]1COC(=O)N1)N1CC(n2cc[nH+]c2)C1 ZINC000859391456 589034959 /nfs/dbraw/zinc/03/49/59/589034959.db2.gz KGUJMXOICFCRHT-QMMMGPOBSA-N 1 2 236.231 -0.625 20 0 BBADLO C=CC(=O)N(C)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000859391467 589034999 /nfs/dbraw/zinc/03/49/99/589034999.db2.gz KNFYFLIZYHFOKK-UHFFFAOYSA-N 1 2 248.286 -0.089 20 0 BBADLO FCC[NH+]1CCN(c2nccnn2)CC1 ZINC000859407941 589035516 /nfs/dbraw/zinc/03/55/16/589035516.db2.gz BQMHRHVCMJBZCR-UHFFFAOYSA-N 1 2 211.244 -0.037 20 0 BBADLO CCCCOC(=O)[C@H](C)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000859453019 589038796 /nfs/dbraw/zinc/03/87/96/589038796.db2.gz MTWLILSXXPTDKQ-GUBZILKMSA-N 1 2 231.292 -0.244 20 0 BBADLO CCCCOC(=O)[C@@H](C)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000859453021 589038535 /nfs/dbraw/zinc/03/85/35/589038535.db2.gz MTWLILSXXPTDKQ-UTLUCORTSA-N 1 2 231.292 -0.244 20 0 BBADLO CCCOC(=O)[C@H](C)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000859453677 589038434 /nfs/dbraw/zinc/03/84/34/589038434.db2.gz USWYBNBDKTXBHR-CIUDSAMLSA-N 1 2 217.265 -0.635 20 0 BBADLO CCCOC(=O)[C@@H](C)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000859453678 589038683 /nfs/dbraw/zinc/03/86/83/589038683.db2.gz USWYBNBDKTXBHR-VGMNWLOBSA-N 1 2 217.265 -0.635 20 0 BBADLO O[C@H]1C[NH+](Cc2cccc(F)n2)C[C@@H]1O ZINC000859454696 589038590 /nfs/dbraw/zinc/03/85/90/589038590.db2.gz IUSKMXPNLJGCRW-IUCAKERBSA-N 1 2 212.224 -0.242 20 0 BBADLO CCn1nc(C)c(C[NH+]2C[C@H](O)[C@@H](O)C2)n1 ZINC000859455058 589038489 /nfs/dbraw/zinc/03/84/89/589038489.db2.gz UQYMTUUOYAALQQ-UWVGGRQHSA-N 1 2 226.280 -0.856 20 0 BBADLO O[C@H]1C[NH+](Cc2ccnc(F)c2)C[C@@H]1O ZINC000859455240 589039102 /nfs/dbraw/zinc/03/91/02/589039102.db2.gz ZIWHUJZSSUDIAB-IUCAKERBSA-N 1 2 212.224 -0.242 20 0 BBADLO CC(C)COC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000859455564 589039027 /nfs/dbraw/zinc/03/90/27/589039027.db2.gz MFASYHOALAKDHF-IUCAKERBSA-N 1 2 217.265 -0.777 20 0 BBADLO CC(C)[C@H](NC=O)C(=O)NCc1c[nH]c[nH+]1 ZINC000859497960 589041017 /nfs/dbraw/zinc/04/10/17/589041017.db2.gz FXKMYENMHWGBCB-VIFPVBQESA-N 1 2 224.264 -0.204 20 0 BBADLO CC(C)[C@H](NC=O)C(=O)NCc1c[nH+]c[nH]1 ZINC000859497960 589041016 /nfs/dbraw/zinc/04/10/16/589041016.db2.gz FXKMYENMHWGBCB-VIFPVBQESA-N 1 2 224.264 -0.204 20 0 BBADLO COCCOCC[N@@H+](CCO)Cc1cnon1 ZINC000859512508 589041883 /nfs/dbraw/zinc/04/18/83/589041883.db2.gz WQWGYDLZZQKCLF-UHFFFAOYSA-N 1 2 245.279 -0.473 20 0 BBADLO COCCOCC[N@H+](CCO)Cc1cnon1 ZINC000859512508 589041882 /nfs/dbraw/zinc/04/18/82/589041882.db2.gz WQWGYDLZZQKCLF-UHFFFAOYSA-N 1 2 245.279 -0.473 20 0 BBADLO CC(C)CC(=O)CC[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000859519554 589042464 /nfs/dbraw/zinc/04/24/64/589042464.db2.gz WZEOSLXTADLGBY-MNOVXSKESA-N 1 2 242.319 -0.088 20 0 BBADLO CC(C)CC(=O)CC[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000859519554 589042462 /nfs/dbraw/zinc/04/24/62/589042462.db2.gz WZEOSLXTADLGBY-MNOVXSKESA-N 1 2 242.319 -0.088 20 0 BBADLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2cnon2)C1 ZINC000859557333 589044967 /nfs/dbraw/zinc/04/49/67/589044967.db2.gz UEUHYGNZOHUEKS-JTQLQIEISA-N 1 2 241.247 -0.167 20 0 BBADLO COC(=O)[C@]1(OC)CC[N@H+](Cc2cnon2)C1 ZINC000859557333 589044965 /nfs/dbraw/zinc/04/49/65/589044965.db2.gz UEUHYGNZOHUEKS-JTQLQIEISA-N 1 2 241.247 -0.167 20 0 BBADLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cnon2)C1 ZINC000859557334 589044747 /nfs/dbraw/zinc/04/47/47/589044747.db2.gz UEUHYGNZOHUEKS-SNVBAGLBSA-N 1 2 241.247 -0.167 20 0 BBADLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cnon2)C1 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/nfs/dbraw/zinc/08/37/23/589083723.db2.gz PCILEIWBENFKJK-HTQZYQBOSA-N 1 2 223.232 -0.017 20 0 BBADLO Cc1nonc1C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860164387 589084667 /nfs/dbraw/zinc/08/46/67/589084667.db2.gz HGQPYBYMRUPOPL-HTQZYQBOSA-N 1 2 223.232 -0.017 20 0 BBADLO Cc1nonc1C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860164387 589084665 /nfs/dbraw/zinc/08/46/65/589084665.db2.gz HGQPYBYMRUPOPL-HTQZYQBOSA-N 1 2 223.232 -0.017 20 0 BBADLO Cn1ncc(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)n1 ZINC000860165556 589085017 /nfs/dbraw/zinc/08/50/17/589085017.db2.gz AFZKOXVWVLFEMX-VXNVDRBHSA-N 1 2 222.248 -0.580 20 0 BBADLO Cn1ncc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)n1 ZINC000860165556 589085015 /nfs/dbraw/zinc/08/50/15/589085015.db2.gz AFZKOXVWVLFEMX-VXNVDRBHSA-N 1 2 222.248 -0.580 20 0 BBADLO CCc1nnc(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)[nH]1 ZINC000860165851 589084708 /nfs/dbraw/zinc/08/47/08/589084708.db2.gz ZOFWCQZIOZJBLQ-HTQZYQBOSA-N 1 2 236.275 -0.028 20 0 BBADLO CCc1nnc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)[nH]1 ZINC000860165851 589084706 /nfs/dbraw/zinc/08/47/06/589084706.db2.gz ZOFWCQZIOZJBLQ-HTQZYQBOSA-N 1 2 236.275 -0.028 20 0 BBADLO CCn1ncnc1C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860166068 589084794 /nfs/dbraw/zinc/08/47/94/589084794.db2.gz DYUXEJHLWPNNAK-RKDXNWHRSA-N 1 2 236.275 -0.097 20 0 BBADLO CCn1ncnc1C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860166068 589084792 /nfs/dbraw/zinc/08/47/92/589084792.db2.gz DYUXEJHLWPNNAK-RKDXNWHRSA-N 1 2 236.275 -0.097 20 0 BBADLO O=C1OC[C@@H]2C[N@@H+](Cc3cn[nH]n3)C[C@H]12 ZINC000860166531 589085064 /nfs/dbraw/zinc/08/50/64/589085064.db2.gz MQOFBPIMXUYQTI-XPUUQOCRSA-N 1 2 208.221 -0.591 20 0 BBADLO O=C1OC[C@@H]2C[N@H+](Cc3cn[nH]n3)C[C@H]12 ZINC000860166531 589085062 /nfs/dbraw/zinc/08/50/62/589085062.db2.gz MQOFBPIMXUYQTI-XPUUQOCRSA-N 1 2 208.221 -0.591 20 0 BBADLO O=C1OC[C@@H]2C[N@@H+](Cc3c[nH]nn3)C[C@H]12 ZINC000860166531 589085060 /nfs/dbraw/zinc/08/50/60/589085060.db2.gz MQOFBPIMXUYQTI-XPUUQOCRSA-N 1 2 208.221 -0.591 20 0 BBADLO O=C1OC[C@@H]2C[N@H+](Cc3c[nH]nn3)C[C@H]12 ZINC000860166531 589085058 /nfs/dbraw/zinc/08/50/58/589085058.db2.gz MQOFBPIMXUYQTI-XPUUQOCRSA-N 1 2 208.221 -0.591 20 0 BBADLO O=C1OC[C@@H]2C[N@@H+](Cc3cnn[nH]3)C[C@H]12 ZINC000860166531 589085056 /nfs/dbraw/zinc/08/50/56/589085056.db2.gz MQOFBPIMXUYQTI-XPUUQOCRSA-N 1 2 208.221 -0.591 20 0 BBADLO O=C1OC[C@@H]2C[N@H+](Cc3cnn[nH]3)C[C@H]12 ZINC000860166531 589085054 /nfs/dbraw/zinc/08/50/54/589085054.db2.gz MQOFBPIMXUYQTI-XPUUQOCRSA-N 1 2 208.221 -0.591 20 0 BBADLO C[C@H](c1nnnn1C)[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860166551 589084744 /nfs/dbraw/zinc/08/47/44/589084744.db2.gz NHWUZRMUYQWKCL-BWZBUEFSSA-N 1 2 237.263 -0.624 20 0 BBADLO C[C@H](c1nnnn1C)[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860166551 589084741 /nfs/dbraw/zinc/08/47/41/589084741.db2.gz NHWUZRMUYQWKCL-BWZBUEFSSA-N 1 2 237.263 -0.624 20 0 BBADLO C[C@@H](c1nnnn1C)[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860166552 589084593 /nfs/dbraw/zinc/08/45/93/589084593.db2.gz NHWUZRMUYQWKCL-XLPZGREQSA-N 1 2 237.263 -0.624 20 0 BBADLO C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860166552 589084592 /nfs/dbraw/zinc/08/45/92/589084592.db2.gz NHWUZRMUYQWKCL-XLPZGREQSA-N 1 2 237.263 -0.624 20 0 BBADLO Cc1nnc(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)[nH]1 ZINC000860166861 589085840 /nfs/dbraw/zinc/08/58/40/589085840.db2.gz XCTAXZHJGFUNDQ-HTQZYQBOSA-N 1 2 222.248 -0.282 20 0 BBADLO Cc1nnc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)[nH]1 ZINC000860166861 589085839 /nfs/dbraw/zinc/08/58/39/589085839.db2.gz XCTAXZHJGFUNDQ-HTQZYQBOSA-N 1 2 222.248 -0.282 20 0 BBADLO CCn1ncc(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)n1 ZINC000860167708 589085733 /nfs/dbraw/zinc/08/57/33/589085733.db2.gz JSSCNWJAMASLBM-PSASIEDQSA-N 1 2 236.275 -0.097 20 0 BBADLO CCn1ncc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)n1 ZINC000860167708 589085731 /nfs/dbraw/zinc/08/57/31/589085731.db2.gz JSSCNWJAMASLBM-PSASIEDQSA-N 1 2 236.275 -0.097 20 0 BBADLO O=C1OC[C@@H]2C[N@@H+](CCc3cnn[nH]3)C[C@H]12 ZINC000860168030 589085819 /nfs/dbraw/zinc/08/58/19/589085819.db2.gz OTCDUVPVNVUQID-CBAPKCEASA-N 1 2 222.248 -0.548 20 0 BBADLO O=C1OC[C@@H]2C[N@H+](CCc3cnn[nH]3)C[C@H]12 ZINC000860168030 589085817 /nfs/dbraw/zinc/08/58/17/589085817.db2.gz OTCDUVPVNVUQID-CBAPKCEASA-N 1 2 222.248 -0.548 20 0 BBADLO O=C1OC[C@@H]2C[N@@H+](Cc3cnon3)C[C@H]12 ZINC000860168623 589085862 /nfs/dbraw/zinc/08/58/62/589085862.db2.gz WSLCJZFXCDKYGA-XPUUQOCRSA-N 1 2 209.205 -0.326 20 0 BBADLO O=C1OC[C@@H]2C[N@H+](Cc3cnon3)C[C@H]12 ZINC000860168623 589085860 /nfs/dbraw/zinc/08/58/60/589085860.db2.gz WSLCJZFXCDKYGA-XPUUQOCRSA-N 1 2 209.205 -0.326 20 0 BBADLO COC[C@@]1(C)C[N@@H+](CC(=O)N(C)OC)CCO1 ZINC000860201374 589088999 /nfs/dbraw/zinc/08/89/99/589088999.db2.gz JWBNORBSCUWPML-LLVKDONJSA-N 1 2 246.307 -0.257 20 0 BBADLO COC[C@@]1(C)C[N@H+](CC(=O)N(C)OC)CCO1 ZINC000860201374 589088996 /nfs/dbraw/zinc/08/89/96/589088996.db2.gz JWBNORBSCUWPML-LLVKDONJSA-N 1 2 246.307 -0.257 20 0 BBADLO COC[C@]1(C)C[N@@H+](CC(=O)N(C)OC)CCO1 ZINC000860201375 589089473 /nfs/dbraw/zinc/08/94/73/589089473.db2.gz JWBNORBSCUWPML-NSHDSACASA-N 1 2 246.307 -0.257 20 0 BBADLO COC[C@]1(C)C[N@H+](CC(=O)N(C)OC)CCO1 ZINC000860201375 589089472 /nfs/dbraw/zinc/08/94/72/589089472.db2.gz JWBNORBSCUWPML-NSHDSACASA-N 1 2 246.307 -0.257 20 0 BBADLO Cn1c[nH+]cc1COC(=O)[C@@H]1COC(=O)N1 ZINC000860576217 589107242 /nfs/dbraw/zinc/10/72/42/589107242.db2.gz OGYMLNADYQPDKG-ZETCQYMHSA-N 1 2 225.204 -0.428 20 0 BBADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@@H]1COC(=O)N1 ZINC000860719580 589116070 /nfs/dbraw/zinc/11/60/70/589116070.db2.gz YOWZYEBINHHXFE-SFYZADRCSA-N 1 2 246.238 -0.318 20 0 BBADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@@H]1COC(=O)N1 ZINC000860719580 589116069 /nfs/dbraw/zinc/11/60/69/589116069.db2.gz YOWZYEBINHHXFE-SFYZADRCSA-N 1 2 246.238 -0.318 20 0 BBADLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@@H]1COC(=O)N1 ZINC000860719581 589116230 /nfs/dbraw/zinc/11/62/30/589116230.db2.gz YOWZYEBINHHXFE-YUMQZZPRSA-N 1 2 246.238 -0.318 20 0 BBADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@@H]1COC(=O)N1 ZINC000860719581 589116229 /nfs/dbraw/zinc/11/62/29/589116229.db2.gz YOWZYEBINHHXFE-YUMQZZPRSA-N 1 2 246.238 -0.318 20 0 BBADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1COC(=O)N1 ZINC000860728724 589117001 /nfs/dbraw/zinc/11/70/01/589117001.db2.gz WZGHHYBMTYLRIC-QMMMGPOBSA-N 1 2 238.247 -0.813 20 0 BBADLO CC(C)[C@H](NC=O)C(=O)NCc1c[nH+]cn1C ZINC000861753487 589176553 /nfs/dbraw/zinc/17/65/53/589176553.db2.gz ZXCVTEIBSPYAQA-JTQLQIEISA-N 1 2 238.291 -0.193 20 0 BBADLO O=C(NC1CC1)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861760346 589176817 /nfs/dbraw/zinc/17/68/17/589176817.db2.gz BEGUSVBMLBTSEZ-UHFFFAOYSA-N 1 2 234.259 -0.427 20 0 BBADLO O=C(NC1CC1)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861760346 589176815 /nfs/dbraw/zinc/17/68/15/589176815.db2.gz BEGUSVBMLBTSEZ-UHFFFAOYSA-N 1 2 234.259 -0.427 20 0 BBADLO O=C([C@H]1COC(=O)N1)N1CCc2[nH+]c[nH]c2C1 ZINC000861763330 589176970 /nfs/dbraw/zinc/17/69/70/589176970.db2.gz PFLWTOBJLBBOLE-MRVPVSSYSA-N 1 2 236.231 -0.597 20 0 BBADLO O=C([C@H]1COC(=O)N1)N1CCc2[nH]c[nH+]c2C1 ZINC000861763330 589176969 /nfs/dbraw/zinc/17/69/69/589176969.db2.gz PFLWTOBJLBBOLE-MRVPVSSYSA-N 1 2 236.231 -0.597 20 0 BBADLO O=C([C@@H]1COC(=O)N1)N1CCc2[nH+]c[nH]c2C1 ZINC000861763332 589177064 /nfs/dbraw/zinc/17/70/64/589177064.db2.gz PFLWTOBJLBBOLE-QMMMGPOBSA-N 1 2 236.231 -0.597 20 0 BBADLO O=C([C@@H]1COC(=O)N1)N1CCc2[nH]c[nH+]c2C1 ZINC000861763332 589177062 /nfs/dbraw/zinc/17/70/62/589177062.db2.gz PFLWTOBJLBBOLE-QMMMGPOBSA-N 1 2 236.231 -0.597 20 0 BBADLO C=CC(=O)N(C)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000861772031 589177251 /nfs/dbraw/zinc/17/72/51/589177251.db2.gz NHUVZBHWHKAOGD-UHFFFAOYSA-N 1 2 248.286 -0.130 20 0 BBADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2COC(=O)N2)c1 ZINC000861948405 589184352 /nfs/dbraw/zinc/18/43/52/589184352.db2.gz SFOFUXGABHGOBM-QMMMGPOBSA-N 1 2 238.247 -0.813 20 0 BBADLO O=C(CCn1cc[nH+]c1)NC[C@@H]1COCO1 ZINC000861969625 589185631 /nfs/dbraw/zinc/18/56/31/589185631.db2.gz WPEADIWRTMHBOR-SECBINFHSA-N 1 2 225.248 -0.238 20 0 BBADLO O=C(CCn1cc[nH+]c1)NC[C@H]1COCO1 ZINC000861969626 589185689 /nfs/dbraw/zinc/18/56/89/589185689.db2.gz WPEADIWRTMHBOR-VIFPVBQESA-N 1 2 225.248 -0.238 20 0 BBADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1COCO1 ZINC000861970279 589185994 /nfs/dbraw/zinc/18/59/94/589185994.db2.gz FBYIOGCFIYKKSH-MRVPVSSYSA-N 1 2 211.221 -0.628 20 0 BBADLO O=C(Cn1cc[nH+]c1)NC[C@H]1COCO1 ZINC000861970280 589186151 /nfs/dbraw/zinc/18/61/51/589186151.db2.gz FBYIOGCFIYKKSH-QMMMGPOBSA-N 1 2 211.221 -0.628 20 0 BBADLO Cc1[nH]c(C(=O)NC[C@@H]2COCO2)c[nH+]1 ZINC000861971602 589186722 /nfs/dbraw/zinc/18/67/22/589186722.db2.gz OGTRXWOLEMVHKP-SSDOTTSWSA-N 1 2 211.221 -0.179 20 0 BBADLO Cc1[nH]c(C(=O)NC[C@H]2COCO2)c[nH+]1 ZINC000861971604 589185865 /nfs/dbraw/zinc/18/58/65/589185865.db2.gz OGTRXWOLEMVHKP-ZETCQYMHSA-N 1 2 211.221 -0.179 20 0 BBADLO CC1(C)C[NH+](CC(=O)NC[C@@H]2COCO2)C1 ZINC000861980603 589189223 /nfs/dbraw/zinc/18/92/23/589189223.db2.gz PCTWYSLKDVETIJ-SECBINFHSA-N 1 2 228.292 -0.183 20 0 BBADLO CC1(C)C[NH+](CC(=O)NC[C@H]2COCO2)C1 ZINC000861980604 589189061 /nfs/dbraw/zinc/18/90/61/589189061.db2.gz PCTWYSLKDVETIJ-VIFPVBQESA-N 1 2 228.292 -0.183 20 0 BBADLO CCONC(=O)CNC(=O)Cn1c[nH+]cc1C ZINC000862130217 589192524 /nfs/dbraw/zinc/19/25/24/589192524.db2.gz DIGYMYZUYGELNH-UHFFFAOYSA-N 1 2 240.263 -0.625 20 0 BBADLO CCn1ncc(C[NH2+][C@]2(CO)CCOC2)n1 ZINC000862324220 589200894 /nfs/dbraw/zinc/20/08/94/589200894.db2.gz GKLADPFINWMUKV-JTQLQIEISA-N 1 2 226.280 -0.461 20 0 BBADLO CCn1ncc(C[NH2+][C@@]2(CO)CCOC2)n1 ZINC000862324221 589200832 /nfs/dbraw/zinc/20/08/32/589200832.db2.gz GKLADPFINWMUKV-SNVBAGLBSA-N 1 2 226.280 -0.461 20 0 BBADLO CNC(=O)C1CN(Cc2[nH]cc(C)[nH+]2)C1 ZINC000862390238 589208086 /nfs/dbraw/zinc/20/80/86/589208086.db2.gz UOZCJIARXWMTJT-UHFFFAOYSA-N 1 2 208.265 -0.104 20 0 BBADLO Cn1ncc(C[NH+](CCO)CCO)c1Cl ZINC000862429742 589212425 /nfs/dbraw/zinc/21/24/25/589212425.db2.gz JPAYUASFLKWDEB-UHFFFAOYSA-N 1 2 233.699 -0.140 20 0 BBADLO CCn1nc(C)c(C[NH+](CCO)CCO)n1 ZINC000862429747 589212603 /nfs/dbraw/zinc/21/26/03/589212603.db2.gz JRFKHSLYOHADEC-UHFFFAOYSA-N 1 2 228.296 -0.607 20 0 BBADLO Cn1cc(C[NH+](CCO)CCO)c(Cl)n1 ZINC000862430027 589212444 /nfs/dbraw/zinc/21/24/44/589212444.db2.gz OLLONAICUHXZQQ-UHFFFAOYSA-N 1 2 233.699 -0.140 20 0 BBADLO CS(=O)(=O)NC1C[NH+](C[C@@H]2CCC=CO2)C1 ZINC000862486397 589216937 /nfs/dbraw/zinc/21/69/37/589216937.db2.gz ZAEGBOXQOSPMJJ-JTQLQIEISA-N 1 2 246.332 -0.088 20 0 BBADLO CS(=O)(=O)NC1C[NH+](C[C@H]2CCC=CO2)C1 ZINC000862486399 589216813 /nfs/dbraw/zinc/21/68/13/589216813.db2.gz ZAEGBOXQOSPMJJ-SNVBAGLBSA-N 1 2 246.332 -0.088 20 0 BBADLO O=C(Cn1cc[nH+]c1)NN1CCOC1=O ZINC000862699344 589233076 /nfs/dbraw/zinc/23/30/76/589233076.db2.gz DMJFHZDYSBDFRJ-UHFFFAOYSA-N 1 2 210.193 -0.634 20 0 BBADLO O=C(CCn1cc[nH+]c1)NN1CCOC1=O ZINC000862700222 589233280 /nfs/dbraw/zinc/23/32/80/589233280.db2.gz QCYGEWJYOMAJKW-UHFFFAOYSA-N 1 2 224.220 -0.243 20 0 BBADLO O=C(Cc1[nH]cc[nH+]1)NN1CCOC1=O ZINC000862702825 589234700 /nfs/dbraw/zinc/23/47/00/589234700.db2.gz GMIKCIMDXQFUCH-UHFFFAOYSA-N 1 2 210.193 -0.564 20 0 BBADLO Cn1c[nH+]cc1CC(=O)NN1CCOC1=O ZINC000862703254 589234836 /nfs/dbraw/zinc/23/48/36/589234836.db2.gz VAJMMGPVTROZRH-UHFFFAOYSA-N 1 2 224.220 -0.554 20 0 BBADLO Cc1[nH+]c[nH]c1CC(=O)NN1CCOC1=O ZINC000862703279 589234814 /nfs/dbraw/zinc/23/48/14/589234814.db2.gz JHBNRLSJSFOOKR-UHFFFAOYSA-N 1 2 224.220 -0.256 20 0 BBADLO CC1(C)C[NH+](CC(=O)NN2CCOC2=O)C1 ZINC000862703799 589235243 /nfs/dbraw/zinc/23/52/43/589235243.db2.gz SMPCDAKTCLXUPT-UHFFFAOYSA-N 1 2 227.264 -0.188 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)Nn2cccn2)C1 ZINC000862766869 589239019 /nfs/dbraw/zinc/23/90/19/589239019.db2.gz MMLXZMDBWSJODO-MRVPVSSYSA-N 1 2 210.237 -0.716 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)Nn2cccn2)C1 ZINC000862766869 589239018 /nfs/dbraw/zinc/23/90/18/589239018.db2.gz MMLXZMDBWSJODO-MRVPVSSYSA-N 1 2 210.237 -0.716 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)Nn2cccn2)C1 ZINC000862766870 589238950 /nfs/dbraw/zinc/23/89/50/589238950.db2.gz MMLXZMDBWSJODO-QMMMGPOBSA-N 1 2 210.237 -0.716 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)Nn2cccn2)C1 ZINC000862766870 589238949 /nfs/dbraw/zinc/23/89/49/589238949.db2.gz MMLXZMDBWSJODO-QMMMGPOBSA-N 1 2 210.237 -0.716 20 0 BBADLO CN(C)[C@H](C(=O)Nn1cccn1)c1c[nH+]cn1C ZINC000862767524 589239006 /nfs/dbraw/zinc/23/90/06/589239006.db2.gz GVXAWODPCHYZQD-JTQLQIEISA-N 1 2 248.290 -0.010 20 0 BBADLO CN(C)[C@@H](C(=O)Nn1cccn1)c1c[nH+]cn1C ZINC000862767525 589238982 /nfs/dbraw/zinc/23/89/82/589238982.db2.gz GVXAWODPCHYZQD-SNVBAGLBSA-N 1 2 248.290 -0.010 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnnc1 ZINC000862969075 583973567 /nfs/dbraw/zinc/97/35/67/583973567.db2.gz ADUYQSKXLWEWED-JTQLQIEISA-N 1 2 236.275 -0.463 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnnc1 ZINC000862969075 583973565 /nfs/dbraw/zinc/97/35/65/583973565.db2.gz ADUYQSKXLWEWED-JTQLQIEISA-N 1 2 236.275 -0.463 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccnnc1 ZINC000862969076 583973550 /nfs/dbraw/zinc/97/35/50/583973550.db2.gz ADUYQSKXLWEWED-SNVBAGLBSA-N 1 2 236.275 -0.463 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccnnc1 ZINC000862969076 583973549 /nfs/dbraw/zinc/97/35/49/583973549.db2.gz ADUYQSKXLWEWED-SNVBAGLBSA-N 1 2 236.275 -0.463 20 0 BBADLO CCO/C=C\C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862969461 589250078 /nfs/dbraw/zinc/25/00/78/589250078.db2.gz MHLCIMWCTHPJAF-AYYIZTPMSA-N 1 2 228.292 -0.017 20 0 BBADLO CCO/C=C\C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862969461 589250076 /nfs/dbraw/zinc/25/00/76/589250076.db2.gz MHLCIMWCTHPJAF-AYYIZTPMSA-N 1 2 228.292 -0.017 20 0 BBADLO CCO/C=C/C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862969462 589250047 /nfs/dbraw/zinc/25/00/47/589250047.db2.gz MHLCIMWCTHPJAF-DFVUYQKZSA-N 1 2 228.292 -0.017 20 0 BBADLO CCO/C=C/C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862969462 589250046 /nfs/dbraw/zinc/25/00/46/589250046.db2.gz MHLCIMWCTHPJAF-DFVUYQKZSA-N 1 2 228.292 -0.017 20 0 BBADLO CCO/C=C\C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862969463 583973642 /nfs/dbraw/zinc/97/36/42/583973642.db2.gz MHLCIMWCTHPJAF-OAQKJQOQSA-N 1 2 228.292 -0.017 20 0 BBADLO CCO/C=C\C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862969463 583973640 /nfs/dbraw/zinc/97/36/40/583973640.db2.gz MHLCIMWCTHPJAF-OAQKJQOQSA-N 1 2 228.292 -0.017 20 0 BBADLO CCO/C=C/C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862969464 583973572 /nfs/dbraw/zinc/97/35/72/583973572.db2.gz MHLCIMWCTHPJAF-RWCYGVJQSA-N 1 2 228.292 -0.017 20 0 BBADLO CCO/C=C/C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862969464 583973571 /nfs/dbraw/zinc/97/35/71/583973571.db2.gz MHLCIMWCTHPJAF-RWCYGVJQSA-N 1 2 228.292 -0.017 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CC1(O)CCC1 ZINC000862970020 589250372 /nfs/dbraw/zinc/25/03/72/589250372.db2.gz RTYGJQSBMKJGFW-JTQLQIEISA-N 1 2 242.319 -0.262 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CC1(O)CCC1 ZINC000862970020 589250371 /nfs/dbraw/zinc/25/03/71/589250371.db2.gz RTYGJQSBMKJGFW-JTQLQIEISA-N 1 2 242.319 -0.262 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)CC1(O)CCC1 ZINC000862970021 589249865 /nfs/dbraw/zinc/24/98/65/589249865.db2.gz RTYGJQSBMKJGFW-SNVBAGLBSA-N 1 2 242.319 -0.262 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CC1(O)CCC1 ZINC000862970021 589249864 /nfs/dbraw/zinc/24/98/64/589249864.db2.gz RTYGJQSBMKJGFW-SNVBAGLBSA-N 1 2 242.319 -0.262 20 0 BBADLO CC1=NO[C@@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000862970040 589250136 /nfs/dbraw/zinc/25/01/36/589250136.db2.gz SEULSTMKHADSMY-NXEZZACHSA-N 1 2 241.291 -0.402 20 0 BBADLO CC1=NO[C@@H](C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000862970040 589250135 /nfs/dbraw/zinc/25/01/35/589250135.db2.gz SEULSTMKHADSMY-NXEZZACHSA-N 1 2 241.291 -0.402 20 0 BBADLO CC1=NO[C@H](C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000862970041 589250406 /nfs/dbraw/zinc/25/04/06/589250406.db2.gz SEULSTMKHADSMY-UWVGGRQHSA-N 1 2 241.291 -0.402 20 0 BBADLO CC1=NO[C@H](C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000862970041 589250405 /nfs/dbraw/zinc/25/04/05/589250405.db2.gz SEULSTMKHADSMY-UWVGGRQHSA-N 1 2 241.291 -0.402 20 0 BBADLO CC1=NO[C@@H](C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000862970042 589249884 /nfs/dbraw/zinc/24/98/84/589249884.db2.gz SEULSTMKHADSMY-VHSXEESVSA-N 1 2 241.291 -0.402 20 0 BBADLO CC1=NO[C@@H](C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000862970042 589249883 /nfs/dbraw/zinc/24/98/83/589249883.db2.gz SEULSTMKHADSMY-VHSXEESVSA-N 1 2 241.291 -0.402 20 0 BBADLO CC1=NO[C@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000862970043 589250318 /nfs/dbraw/zinc/25/03/18/589250318.db2.gz SEULSTMKHADSMY-ZJUUUORDSA-N 1 2 241.291 -0.402 20 0 BBADLO CC1=NO[C@H](C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000862970043 589250317 /nfs/dbraw/zinc/25/03/17/589250317.db2.gz SEULSTMKHADSMY-ZJUUUORDSA-N 1 2 241.291 -0.402 20 0 BBADLO COC/C=C/C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862970142 589250396 /nfs/dbraw/zinc/25/03/96/589250396.db2.gz UZIULETZVCCDOU-FSIBCCDJSA-N 1 2 228.292 -0.364 20 0 BBADLO COC/C=C/C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862970142 589250395 /nfs/dbraw/zinc/25/03/95/589250395.db2.gz UZIULETZVCCDOU-FSIBCCDJSA-N 1 2 228.292 -0.364 20 0 BBADLO COC/C=C/C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862970143 589250383 /nfs/dbraw/zinc/25/03/83/589250383.db2.gz UZIULETZVCCDOU-HMDXOVGESA-N 1 2 228.292 -0.364 20 0 BBADLO COC/C=C/C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862970143 589250382 /nfs/dbraw/zinc/25/03/82/589250382.db2.gz UZIULETZVCCDOU-HMDXOVGESA-N 1 2 228.292 -0.364 20 0 BBADLO COC/C=C\C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862970144 589250446 /nfs/dbraw/zinc/25/04/46/589250446.db2.gz UZIULETZVCCDOU-UMBAGQNISA-N 1 2 228.292 -0.364 20 0 BBADLO COC/C=C\C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862970144 589250445 /nfs/dbraw/zinc/25/04/45/589250445.db2.gz UZIULETZVCCDOU-UMBAGQNISA-N 1 2 228.292 -0.364 20 0 BBADLO COC/C=C\C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862970145 589250238 /nfs/dbraw/zinc/25/02/38/589250238.db2.gz UZIULETZVCCDOU-XOULXFPDSA-N 1 2 228.292 -0.364 20 0 BBADLO COC/C=C\C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862970145 589250236 /nfs/dbraw/zinc/25/02/36/589250236.db2.gz UZIULETZVCCDOU-XOULXFPDSA-N 1 2 228.292 -0.364 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H](O)C(C)(C)C ZINC000862970440 589250437 /nfs/dbraw/zinc/25/04/37/589250437.db2.gz KOUTUEXROTUOPH-NXEZZACHSA-N 1 2 244.335 -0.160 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H](O)C(C)(C)C ZINC000862970440 589250436 /nfs/dbraw/zinc/25/04/36/589250436.db2.gz KOUTUEXROTUOPH-NXEZZACHSA-N 1 2 244.335 -0.160 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H](O)C(C)(C)C ZINC000862970441 583973624 /nfs/dbraw/zinc/97/36/24/583973624.db2.gz KOUTUEXROTUOPH-UWVGGRQHSA-N 1 2 244.335 -0.160 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H](O)C(C)(C)C ZINC000862970441 583973621 /nfs/dbraw/zinc/97/36/21/583973621.db2.gz KOUTUEXROTUOPH-UWVGGRQHSA-N 1 2 244.335 -0.160 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H](O)C(C)(C)C ZINC000862970442 583973779 /nfs/dbraw/zinc/97/37/79/583973779.db2.gz KOUTUEXROTUOPH-VHSXEESVSA-N 1 2 244.335 -0.160 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H](O)C(C)(C)C ZINC000862970442 583973778 /nfs/dbraw/zinc/97/37/78/583973778.db2.gz KOUTUEXROTUOPH-VHSXEESVSA-N 1 2 244.335 -0.160 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@H](O)C(C)(C)C ZINC000862970443 583973716 /nfs/dbraw/zinc/97/37/16/583973716.db2.gz KOUTUEXROTUOPH-ZJUUUORDSA-N 1 2 244.335 -0.160 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H](O)C(C)(C)C ZINC000862970443 583973713 /nfs/dbraw/zinc/97/37/13/583973713.db2.gz KOUTUEXROTUOPH-ZJUUUORDSA-N 1 2 244.335 -0.160 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)CC1OCCO1 ZINC000862970669 589249825 /nfs/dbraw/zinc/24/98/25/589249825.db2.gz LJOSLSWSWYUAAZ-SECBINFHSA-N 1 2 244.291 -0.804 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CC1OCCO1 ZINC000862970669 589249824 /nfs/dbraw/zinc/24/98/24/589249824.db2.gz LJOSLSWSWYUAAZ-SECBINFHSA-N 1 2 244.291 -0.804 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CC1OCCO1 ZINC000862970671 589250024 /nfs/dbraw/zinc/25/00/24/589250024.db2.gz LJOSLSWSWYUAAZ-VIFPVBQESA-N 1 2 244.291 -0.804 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CC1OCCO1 ZINC000862970671 589250022 /nfs/dbraw/zinc/25/00/22/589250022.db2.gz LJOSLSWSWYUAAZ-VIFPVBQESA-N 1 2 244.291 -0.804 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)C1=COCCO1 ZINC000862971113 589249739 /nfs/dbraw/zinc/24/97/39/589249739.db2.gz JITSWTAWZZVLCC-SECBINFHSA-N 1 2 242.275 -0.679 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1=COCCO1 ZINC000862971113 589249737 /nfs/dbraw/zinc/24/97/37/589249737.db2.gz JITSWTAWZZVLCC-SECBINFHSA-N 1 2 242.275 -0.679 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1=COCCO1 ZINC000862971114 589250315 /nfs/dbraw/zinc/25/03/15/589250315.db2.gz JITSWTAWZZVLCC-VIFPVBQESA-N 1 2 242.275 -0.679 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1=COCCO1 ZINC000862971114 589250314 /nfs/dbraw/zinc/25/03/14/589250314.db2.gz JITSWTAWZZVLCC-VIFPVBQESA-N 1 2 242.275 -0.679 20 0 BBADLO CC[C@H](CO)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862971439 589249841 /nfs/dbraw/zinc/24/98/41/589249841.db2.gz SJSUORFSOOGELW-NXEZZACHSA-N 1 2 230.308 -0.548 20 0 BBADLO CC[C@H](CO)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862971439 589249840 /nfs/dbraw/zinc/24/98/40/589249840.db2.gz SJSUORFSOOGELW-NXEZZACHSA-N 1 2 230.308 -0.548 20 0 BBADLO CC[C@@H](CO)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862971440 589249943 /nfs/dbraw/zinc/24/99/43/589249943.db2.gz SJSUORFSOOGELW-UWVGGRQHSA-N 1 2 230.308 -0.548 20 0 BBADLO CC[C@@H](CO)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862971440 589249942 /nfs/dbraw/zinc/24/99/42/589249942.db2.gz SJSUORFSOOGELW-UWVGGRQHSA-N 1 2 230.308 -0.548 20 0 BBADLO CC[C@@H](CO)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862971441 589250167 /nfs/dbraw/zinc/25/01/67/589250167.db2.gz SJSUORFSOOGELW-VHSXEESVSA-N 1 2 230.308 -0.548 20 0 BBADLO CC[C@@H](CO)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862971441 589250166 /nfs/dbraw/zinc/25/01/66/589250166.db2.gz SJSUORFSOOGELW-VHSXEESVSA-N 1 2 230.308 -0.548 20 0 BBADLO CC[C@H](CO)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862971442 589250275 /nfs/dbraw/zinc/25/02/75/589250275.db2.gz SJSUORFSOOGELW-ZJUUUORDSA-N 1 2 230.308 -0.548 20 0 BBADLO CC[C@H](CO)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862971442 589250273 /nfs/dbraw/zinc/25/02/73/589250273.db2.gz SJSUORFSOOGELW-ZJUUUORDSA-N 1 2 230.308 -0.548 20 0 BBADLO CCC1(C(=O)NC[C@H]2COCC[N@H+]2C)COC1 ZINC000862971719 589250219 /nfs/dbraw/zinc/25/02/19/589250219.db2.gz VPOOJXRFIKZWLQ-JTQLQIEISA-N 1 2 242.319 -0.140 20 0 BBADLO CCC1(C(=O)NC[C@H]2COCC[N@@H+]2C)COC1 ZINC000862971719 589250217 /nfs/dbraw/zinc/25/02/17/589250217.db2.gz VPOOJXRFIKZWLQ-JTQLQIEISA-N 1 2 242.319 -0.140 20 0 BBADLO CCC1(C(=O)NC[C@@H]2COCC[N@H+]2C)COC1 ZINC000862971720 589250287 /nfs/dbraw/zinc/25/02/87/589250287.db2.gz VPOOJXRFIKZWLQ-SNVBAGLBSA-N 1 2 242.319 -0.140 20 0 BBADLO CCC1(C(=O)NC[C@@H]2COCC[N@@H+]2C)COC1 ZINC000862971720 589250286 /nfs/dbraw/zinc/25/02/86/589250286.db2.gz VPOOJXRFIKZWLQ-SNVBAGLBSA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1=COCC1 ZINC000862973380 589250427 /nfs/dbraw/zinc/25/04/27/589250427.db2.gz MVDMVQCASHDYOM-JTQLQIEISA-N 1 2 226.276 -0.263 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1=COCC1 ZINC000862973380 589250426 /nfs/dbraw/zinc/25/04/26/589250426.db2.gz MVDMVQCASHDYOM-JTQLQIEISA-N 1 2 226.276 -0.263 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)C1=COCC1 ZINC000862973381 589250379 /nfs/dbraw/zinc/25/03/79/589250379.db2.gz MVDMVQCASHDYOM-SNVBAGLBSA-N 1 2 226.276 -0.263 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1=COCC1 ZINC000862973381 589250378 /nfs/dbraw/zinc/25/03/78/589250378.db2.gz MVDMVQCASHDYOM-SNVBAGLBSA-N 1 2 226.276 -0.263 20 0 BBADLO CO[C@H](C)CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862973590 589249838 /nfs/dbraw/zinc/24/98/38/589249838.db2.gz QQEYWVFLPWWFPK-NXEZZACHSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@H](C)CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862973590 589249837 /nfs/dbraw/zinc/24/98/37/589249837.db2.gz QQEYWVFLPWWFPK-NXEZZACHSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@@H](C)CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000862973591 589250457 /nfs/dbraw/zinc/25/04/57/589250457.db2.gz QQEYWVFLPWWFPK-UWVGGRQHSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@@H](C)CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862973591 589250456 /nfs/dbraw/zinc/25/04/56/589250456.db2.gz QQEYWVFLPWWFPK-UWVGGRQHSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@@H](C)CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862973592 589249746 /nfs/dbraw/zinc/24/97/46/589249746.db2.gz QQEYWVFLPWWFPK-VHSXEESVSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@@H](C)CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862973592 589249744 /nfs/dbraw/zinc/24/97/44/589249744.db2.gz QQEYWVFLPWWFPK-VHSXEESVSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@H](C)CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000862973593 589249888 /nfs/dbraw/zinc/24/98/88/589249888.db2.gz QQEYWVFLPWWFPK-ZJUUUORDSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@H](C)CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862973593 589249887 /nfs/dbraw/zinc/24/98/87/589249887.db2.gz QQEYWVFLPWWFPK-ZJUUUORDSA-N 1 2 230.308 -0.142 20 0 BBADLO COC(=O)[C@@]1(OC)CC[N@@H+](CN2CCC2=O)C1 ZINC000863298249 589277025 /nfs/dbraw/zinc/27/70/25/589277025.db2.gz VPGLCUBAXORVOT-LLVKDONJSA-N 1 2 242.275 -0.560 20 0 BBADLO COC(=O)[C@@]1(OC)CC[N@H+](CN2CCC2=O)C1 ZINC000863298249 589277024 /nfs/dbraw/zinc/27/70/24/589277024.db2.gz VPGLCUBAXORVOT-LLVKDONJSA-N 1 2 242.275 -0.560 20 0 BBADLO COC(=O)[C@]1(OC)CC[N@@H+](CN2CCC2=O)C1 ZINC000863298250 589277347 /nfs/dbraw/zinc/27/73/47/589277347.db2.gz VPGLCUBAXORVOT-NSHDSACASA-N 1 2 242.275 -0.560 20 0 BBADLO COC(=O)[C@]1(OC)CC[N@H+](CN2CCC2=O)C1 ZINC000863298250 589277346 /nfs/dbraw/zinc/27/73/46/589277346.db2.gz VPGLCUBAXORVOT-NSHDSACASA-N 1 2 242.275 -0.560 20 0 BBADLO CN1C(=O)C(=O)N(C[NH+](C2CC2)C2CC2)C1=O ZINC000863304291 589277858 /nfs/dbraw/zinc/27/78/58/589277858.db2.gz WHCWWAPAKZVGQT-UHFFFAOYSA-N 1 2 237.259 -0.009 20 0 BBADLO COC[C@]1(C)C[N@@H+](Cn2cnnc2)CCO1 ZINC000863342667 589281061 /nfs/dbraw/zinc/28/10/61/589281061.db2.gz IBQGBBLGRNEXHF-JTQLQIEISA-N 1 2 226.280 -0.027 20 0 BBADLO COC[C@]1(C)C[N@H+](Cn2cnnc2)CCO1 ZINC000863342667 589281060 /nfs/dbraw/zinc/28/10/60/589281060.db2.gz IBQGBBLGRNEXHF-JTQLQIEISA-N 1 2 226.280 -0.027 20 0 BBADLO COC[C@@]1(C)C[N@@H+](Cn2cnnc2)CCO1 ZINC000863342668 589281374 /nfs/dbraw/zinc/28/13/74/589281374.db2.gz IBQGBBLGRNEXHF-SNVBAGLBSA-N 1 2 226.280 -0.027 20 0 BBADLO COC[C@@]1(C)C[N@H+](Cn2cnnc2)CCO1 ZINC000863342668 589281372 /nfs/dbraw/zinc/28/13/72/589281372.db2.gz IBQGBBLGRNEXHF-SNVBAGLBSA-N 1 2 226.280 -0.027 20 0 BBADLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863356827 589283016 /nfs/dbraw/zinc/28/30/16/589283016.db2.gz IRQUNISGWJWLHX-OCAPTIKFSA-N 1 2 236.275 -0.326 20 0 BBADLO CCOC(=O)C[C@@H](O)CO[NH+]=C(N)[C@@H](C)OC ZINC000863459819 589289983 /nfs/dbraw/zinc/28/99/83/589289983.db2.gz SMYLSUKLFCQYDN-HTQZYQBOSA-N 1 2 248.279 -0.166 20 0 BBADLO CCOC(=O)C[C@@H](O)CO[NH+]=C(N)[C@H](C)OC ZINC000863459821 589289807 /nfs/dbraw/zinc/28/98/07/589289807.db2.gz SMYLSUKLFCQYDN-JGVFFNPUSA-N 1 2 248.279 -0.166 20 0 BBADLO CCOC(=O)C[C@H](O)CO[NH+]=C(N)[C@@H](C)OC ZINC000863459822 589289924 /nfs/dbraw/zinc/28/99/24/589289924.db2.gz SMYLSUKLFCQYDN-SFYZADRCSA-N 1 2 248.279 -0.166 20 0 BBADLO CCOC(=O)C[C@H](O)CO[NH+]=C(N)[C@H](C)OC ZINC000863459823 589289998 /nfs/dbraw/zinc/28/99/98/589289998.db2.gz SMYLSUKLFCQYDN-YUMQZZPRSA-N 1 2 248.279 -0.166 20 0 BBADLO COc1cncc(CO[NH+]=C(N)CCO)n1 ZINC000863467702 589290844 /nfs/dbraw/zinc/29/08/44/589290844.db2.gz HXLSARRPJJMRFS-UHFFFAOYSA-N 1 2 226.236 -0.134 20 0 BBADLO COC1(C(N)=[NH+]OCC(N)=O)CCCC1 ZINC000863478650 589292129 /nfs/dbraw/zinc/29/21/29/589292129.db2.gz NPTVVXITOVFTFU-UHFFFAOYSA-N 1 2 215.253 -0.071 20 0 BBADLO Cn1ccnc1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000863505116 589295104 /nfs/dbraw/zinc/29/51/04/589295104.db2.gz HXODFZALOPRXFO-SECBINFHSA-N 1 2 238.291 -0.520 20 0 BBADLO Cn1ccnc1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000863505116 589295102 /nfs/dbraw/zinc/29/51/02/589295102.db2.gz HXODFZALOPRXFO-SECBINFHSA-N 1 2 238.291 -0.520 20 0 BBADLO Cn1ccnc1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000863505118 589295409 /nfs/dbraw/zinc/29/54/09/589295409.db2.gz HXODFZALOPRXFO-VIFPVBQESA-N 1 2 238.291 -0.520 20 0 BBADLO Cn1ccnc1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000863505118 589295407 /nfs/dbraw/zinc/29/54/07/589295407.db2.gz HXODFZALOPRXFO-VIFPVBQESA-N 1 2 238.291 -0.520 20 0 BBADLO CCn1ncc(C[NH2+]CCS(=O)(=O)CC)n1 ZINC000863564586 589299632 /nfs/dbraw/zinc/29/96/32/589299632.db2.gz WXZVOCWNCCCNPY-UHFFFAOYSA-N 1 2 246.336 -0.178 20 0 BBADLO CON(C)C(=O)[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000863625455 589305489 /nfs/dbraw/zinc/30/54/89/589305489.db2.gz HBYBSFPUDORGAZ-LURJTMIESA-N 1 2 240.263 -0.144 20 0 BBADLO CON(C)C(=O)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000863627257 589305580 /nfs/dbraw/zinc/30/55/80/589305580.db2.gz HPTVKRRYXYTDMJ-QMMMGPOBSA-N 1 2 240.263 -0.592 20 0 BBADLO CON(C)C(=O)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000863632888 589306092 /nfs/dbraw/zinc/30/60/92/589306092.db2.gz OHRKHUGEEVZJKB-ZETCQYMHSA-N 1 2 240.263 -0.523 20 0 BBADLO CON(C)C(=O)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000863704596 589312253 /nfs/dbraw/zinc/31/22/53/589312253.db2.gz HPTVKRRYXYTDMJ-MRVPVSSYSA-N 1 2 240.263 -0.592 20 0 BBADLO CON(C)C(=O)[C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000863705577 589312110 /nfs/dbraw/zinc/31/21/10/589312110.db2.gz HBYBSFPUDORGAZ-ZCFIWIBFSA-N 1 2 240.263 -0.144 20 0 BBADLO CON(C)C(=O)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000863710145 589312540 /nfs/dbraw/zinc/31/25/40/589312540.db2.gz OHRKHUGEEVZJKB-SSDOTTSWSA-N 1 2 240.263 -0.523 20 0 BBADLO O=C(Cn1cc[nH+]c1)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000863755409 589314588 /nfs/dbraw/zinc/31/45/88/589314588.db2.gz OWDDUYNXZPKPJP-RKDXNWHRSA-N 1 2 235.243 -0.486 20 0 BBADLO O=C(CCn1cc[nH+]c1)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000863761920 589315255 /nfs/dbraw/zinc/31/52/55/589315255.db2.gz UCXHOIAPDRXZLG-NXEZZACHSA-N 1 2 249.270 -0.095 20 0 BBADLO C[N@@H+](CC(=O)Nc1nn[nH]n1)C1CCC1 ZINC000863858779 589323639 /nfs/dbraw/zinc/32/36/39/589323639.db2.gz SCZLJCGDMNOEHP-UHFFFAOYSA-N 1 2 210.241 -0.378 20 0 BBADLO C[N@H+](CC(=O)Nc1nn[nH]n1)C1CCC1 ZINC000863858779 589323637 /nfs/dbraw/zinc/32/36/37/589323637.db2.gz SCZLJCGDMNOEHP-UHFFFAOYSA-N 1 2 210.241 -0.378 20 0 BBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NN1CN=NC1=O ZINC000863902997 589324591 /nfs/dbraw/zinc/32/45/91/589324591.db2.gz OZZPOWWKLPFFSJ-RNFRBKRXSA-N 1 2 248.246 -0.409 20 0 BBADLO C[C@@H](O)[C@@H](CO)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000863926252 589326944 /nfs/dbraw/zinc/32/69/44/589326944.db2.gz VBVSHOYBPURVCQ-NQMVMOMDSA-N 1 2 241.291 -0.554 20 0 BBADLO C[C@@H](O)[C@@H](CO)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000863926252 589326942 /nfs/dbraw/zinc/32/69/42/589326942.db2.gz VBVSHOYBPURVCQ-NQMVMOMDSA-N 1 2 241.291 -0.554 20 0 BBADLO C[C@@H](O)[C@@H](CO)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000863926253 589327016 /nfs/dbraw/zinc/32/70/16/589327016.db2.gz VBVSHOYBPURVCQ-QXFUBDJGSA-N 1 2 241.291 -0.554 20 0 BBADLO C[C@@H](O)[C@@H](CO)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000863926253 589327014 /nfs/dbraw/zinc/32/70/14/589327014.db2.gz VBVSHOYBPURVCQ-QXFUBDJGSA-N 1 2 241.291 -0.554 20 0 BBADLO CCONC(=O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC000863928474 589327719 /nfs/dbraw/zinc/32/77/19/589327719.db2.gz ODENIGCXONEXRT-UHFFFAOYSA-N 1 2 243.307 -0.345 20 0 BBADLO CCONC(=O)CNC(=O)C[N@H+](C)C1CCC1 ZINC000863928474 589327716 /nfs/dbraw/zinc/32/77/16/589327716.db2.gz ODENIGCXONEXRT-UHFFFAOYSA-N 1 2 243.307 -0.345 20 0 BBADLO COC1C[NH+](C[C@H](O)CC2(O)CCC2)C1 ZINC000863970708 589329716 /nfs/dbraw/zinc/32/97/16/589329716.db2.gz VMTXXYCMZFOQIZ-SECBINFHSA-N 1 2 215.293 -0.017 20 0 BBADLO COC1C[NH+](C[C@@H](O)CC2(O)CCC2)C1 ZINC000863970709 589329979 /nfs/dbraw/zinc/32/99/79/589329979.db2.gz VMTXXYCMZFOQIZ-VIFPVBQESA-N 1 2 215.293 -0.017 20 0 BBADLO COC1C[NH+](C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000863970968 589330101 /nfs/dbraw/zinc/33/01/01/589330101.db2.gz ZICLSBAAMBRKFY-JTQLQIEISA-N 1 2 245.319 -0.391 20 0 BBADLO COC1C[NH+](C[C@H](O)CC2(O)CCOCC2)C1 ZINC000863970969 589330134 /nfs/dbraw/zinc/33/01/34/589330134.db2.gz ZICLSBAAMBRKFY-SNVBAGLBSA-N 1 2 245.319 -0.391 20 0 BBADLO COCc1nnc(NCC[NH+]2CCOCC2)o1 ZINC000863980848 589332434 /nfs/dbraw/zinc/33/24/34/589332434.db2.gz QYYBUTJGGVQFJI-UHFFFAOYSA-N 1 2 242.279 -0.040 20 0 BBADLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1cnc[nH]1 ZINC000864050203 589334837 /nfs/dbraw/zinc/33/48/37/589334837.db2.gz YHFVYOQBDUCHFZ-SSDOTTSWSA-N 1 2 212.253 -0.092 20 0 BBADLO CON(C)C(=O)[C@H](C)[NH2+]Cc1cnc[nH]1 ZINC000864050204 589334955 /nfs/dbraw/zinc/33/49/55/589334955.db2.gz YHFVYOQBDUCHFZ-ZETCQYMHSA-N 1 2 212.253 -0.092 20 0 BBADLO Cc1c[nH]c(CN(C)C2CS(=O)(=O)C2)[nH+]1 ZINC000864054588 589335876 /nfs/dbraw/zinc/33/58/76/589335876.db2.gz WBTXCHKEYZNSEN-UHFFFAOYSA-N 1 2 229.305 -0.053 20 0 BBADLO CC1(C(N)=O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000864065207 589337900 /nfs/dbraw/zinc/33/79/00/589337900.db2.gz KNRAXMYJQMDETI-UHFFFAOYSA-N 1 2 222.248 -0.714 20 0 BBADLO C[C@@H]1C(=O)N(C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000864066086 589337706 /nfs/dbraw/zinc/33/77/06/589337706.db2.gz OFFPPLBEULMUHG-SSDOTTSWSA-N 1 2 222.248 -0.401 20 0 BBADLO C[C@H]1C(=O)N(C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000864066087 589337853 /nfs/dbraw/zinc/33/78/53/589337853.db2.gz OFFPPLBEULMUHG-ZETCQYMHSA-N 1 2 222.248 -0.401 20 0 BBADLO C/C=C\[C@H](O)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000864078143 589340754 /nfs/dbraw/zinc/34/07/54/589340754.db2.gz LYVVMQCVIZJFFY-CMIOBCHKSA-N 1 2 228.292 -0.942 20 0 BBADLO C/C=C\[C@H](O)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000864078143 589340753 /nfs/dbraw/zinc/34/07/53/589340753.db2.gz LYVVMQCVIZJFFY-CMIOBCHKSA-N 1 2 228.292 -0.942 20 0 BBADLO C/C=C/[C@H](O)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000864078144 589341077 /nfs/dbraw/zinc/34/10/77/589341077.db2.gz LYVVMQCVIZJFFY-OHINUGQQSA-N 1 2 228.292 -0.942 20 0 BBADLO C/C=C/[C@H](O)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000864078144 589341075 /nfs/dbraw/zinc/34/10/75/589341075.db2.gz LYVVMQCVIZJFFY-OHINUGQQSA-N 1 2 228.292 -0.942 20 0 BBADLO C/C=C/[C@H](O)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000864078145 589341092 /nfs/dbraw/zinc/34/10/92/589341092.db2.gz LYVVMQCVIZJFFY-OKWQPMOJSA-N 1 2 228.292 -0.942 20 0 BBADLO C/C=C/[C@H](O)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000864078145 589341090 /nfs/dbraw/zinc/34/10/90/589341090.db2.gz LYVVMQCVIZJFFY-OKWQPMOJSA-N 1 2 228.292 -0.942 20 0 BBADLO C/C=C\[C@H](O)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000864078146 589341178 /nfs/dbraw/zinc/34/11/78/589341178.db2.gz LYVVMQCVIZJFFY-QKMQQOOLSA-N 1 2 228.292 -0.942 20 0 BBADLO C/C=C\[C@H](O)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000864078146 589341176 /nfs/dbraw/zinc/34/11/76/589341176.db2.gz LYVVMQCVIZJFFY-QKMQQOOLSA-N 1 2 228.292 -0.942 20 0 BBADLO CON(C)C(=O)[C@@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000864078691 589340972 /nfs/dbraw/zinc/34/09/72/589340972.db2.gz ZNPHPMDCBSMKLK-SSDOTTSWSA-N 1 2 240.263 -0.523 20 0 BBADLO CON(C)C(=O)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000864078691 589340971 /nfs/dbraw/zinc/34/09/71/589340971.db2.gz ZNPHPMDCBSMKLK-SSDOTTSWSA-N 1 2 240.263 -0.523 20 0 BBADLO CON(C)C(=O)[C@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000864078692 589341300 /nfs/dbraw/zinc/34/13/00/589341300.db2.gz ZNPHPMDCBSMKLK-ZETCQYMHSA-N 1 2 240.263 -0.523 20 0 BBADLO CON(C)C(=O)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000864078692 589341298 /nfs/dbraw/zinc/34/12/98/589341298.db2.gz ZNPHPMDCBSMKLK-ZETCQYMHSA-N 1 2 240.263 -0.523 20 0 BBADLO Cc1nc[nH]c1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000864079136 589340809 /nfs/dbraw/zinc/34/08/09/589340809.db2.gz TUXLCRRQOQPIJH-SECBINFHSA-N 1 2 238.291 -0.533 20 0 BBADLO Cc1nc[nH]c1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000864079136 589340808 /nfs/dbraw/zinc/34/08/08/589340808.db2.gz TUXLCRRQOQPIJH-SECBINFHSA-N 1 2 238.291 -0.533 20 0 BBADLO Cc1nc[nH]c1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000864079137 589341208 /nfs/dbraw/zinc/34/12/08/589341208.db2.gz TUXLCRRQOQPIJH-VIFPVBQESA-N 1 2 238.291 -0.533 20 0 BBADLO Cc1nc[nH]c1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000864079137 589341207 /nfs/dbraw/zinc/34/12/07/589341207.db2.gz TUXLCRRQOQPIJH-VIFPVBQESA-N 1 2 238.291 -0.533 20 0 BBADLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000864079345 589340837 /nfs/dbraw/zinc/34/08/37/589340837.db2.gz WIUXPMJHSPJGSA-OTSSQURYSA-N 1 2 236.275 -0.326 20 0 BBADLO C/C=C\[C@H](O)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000864080497 589341484 /nfs/dbraw/zinc/34/14/84/589341484.db2.gz GOXCYQFPQDFAEZ-CMIOBCHKSA-N 1 2 228.292 -0.630 20 0 BBADLO C/C=C\[C@H](O)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000864080497 589341482 /nfs/dbraw/zinc/34/14/82/589341482.db2.gz GOXCYQFPQDFAEZ-CMIOBCHKSA-N 1 2 228.292 -0.630 20 0 BBADLO C/C=C/[C@H](O)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000864080498 584000908 /nfs/dbraw/zinc/00/09/08/584000908.db2.gz GOXCYQFPQDFAEZ-OHINUGQQSA-N 1 2 228.292 -0.630 20 0 BBADLO C/C=C/[C@H](O)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000864080498 584000905 /nfs/dbraw/zinc/00/09/05/584000905.db2.gz GOXCYQFPQDFAEZ-OHINUGQQSA-N 1 2 228.292 -0.630 20 0 BBADLO C/C=C/[C@H](O)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000864080499 584000846 /nfs/dbraw/zinc/00/08/46/584000846.db2.gz GOXCYQFPQDFAEZ-OKWQPMOJSA-N 1 2 228.292 -0.630 20 0 BBADLO C/C=C/[C@H](O)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000864080499 584000844 /nfs/dbraw/zinc/00/08/44/584000844.db2.gz GOXCYQFPQDFAEZ-OKWQPMOJSA-N 1 2 228.292 -0.630 20 0 BBADLO C/C=C\[C@H](O)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000864080500 584000779 /nfs/dbraw/zinc/00/07/79/584000779.db2.gz GOXCYQFPQDFAEZ-QKMQQOOLSA-N 1 2 228.292 -0.630 20 0 BBADLO C/C=C\[C@H](O)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000864080500 584000778 /nfs/dbraw/zinc/00/07/78/584000778.db2.gz GOXCYQFPQDFAEZ-QKMQQOOLSA-N 1 2 228.292 -0.630 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)CCF ZINC000864082990 584000782 /nfs/dbraw/zinc/00/07/82/584000782.db2.gz WAIPLJGEMHILLO-MRVPVSSYSA-N 1 2 204.245 -0.207 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CCF ZINC000864082990 584000781 /nfs/dbraw/zinc/00/07/81/584000781.db2.gz WAIPLJGEMHILLO-MRVPVSSYSA-N 1 2 204.245 -0.207 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CCF ZINC000864082991 584000763 /nfs/dbraw/zinc/00/07/63/584000763.db2.gz WAIPLJGEMHILLO-QMMMGPOBSA-N 1 2 204.245 -0.207 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CCF ZINC000864082991 584000762 /nfs/dbraw/zinc/00/07/62/584000762.db2.gz WAIPLJGEMHILLO-QMMMGPOBSA-N 1 2 204.245 -0.207 20 0 BBADLO C[C@@H](O)[C@@H](O)CNc1cc(CO)cc[nH+]1 ZINC000864092924 584001445 /nfs/dbraw/zinc/00/14/45/584001445.db2.gz CDKYROUXLIVRIY-APPZFPTMSA-N 1 2 212.249 -0.273 20 0 BBADLO C[C@H](O)[C@@H](O)CNc1cc(CO)cc[nH+]1 ZINC000864092925 584001457 /nfs/dbraw/zinc/00/14/57/584001457.db2.gz CDKYROUXLIVRIY-CBAPKCEASA-N 1 2 212.249 -0.273 20 0 BBADLO C[C@H](O)[C@H](O)CNc1cc(CO)cc[nH+]1 ZINC000864092926 584001407 /nfs/dbraw/zinc/00/14/07/584001407.db2.gz CDKYROUXLIVRIY-IONNQARKSA-N 1 2 212.249 -0.273 20 0 BBADLO C[C@@H](O)[C@H](O)CNc1cc(CO)cc[nH+]1 ZINC000864092927 584001320 /nfs/dbraw/zinc/00/13/20/584001320.db2.gz CDKYROUXLIVRIY-VXNVDRBHSA-N 1 2 212.249 -0.273 20 0 BBADLO C[NH+]1CCN(C(=O)[C@H](O)c2cnc[nH]2)CC1 ZINC000864382389 589357118 /nfs/dbraw/zinc/35/71/18/589357118.db2.gz QMDIZMVTRJRLCA-SECBINFHSA-N 1 2 224.264 -0.783 20 0 BBADLO C[NH+]1CCN(C(=O)[C@@H](O)c2cnc[nH]2)CC1 ZINC000864382390 589356710 /nfs/dbraw/zinc/35/67/10/589356710.db2.gz QMDIZMVTRJRLCA-VIFPVBQESA-N 1 2 224.264 -0.783 20 0 BBADLO COCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864384709 589357483 /nfs/dbraw/zinc/35/74/83/589357483.db2.gz MFDFSUBJERIRHO-IHWYPQMZSA-N 1 2 228.292 -0.363 20 0 BBADLO COCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864384712 589357401 /nfs/dbraw/zinc/35/74/01/589357401.db2.gz MFDFSUBJERIRHO-NSCUHMNNSA-N 1 2 228.292 -0.363 20 0 BBADLO O=C(/C=C/C[NH+]1CCOCC1)N1CCOCC1 ZINC000864408114 589359483 /nfs/dbraw/zinc/35/94/83/589359483.db2.gz KXXUDYUVPXKFQG-OWOJBTEDSA-N 1 2 240.303 -0.266 20 0 BBADLO O=C(/C=C\C[NH+]1CCOCC1)N1CCOCC1 ZINC000864408116 589359367 /nfs/dbraw/zinc/35/93/67/589359367.db2.gz KXXUDYUVPXKFQG-UPHRSURJSA-N 1 2 240.303 -0.266 20 0 BBADLO O=C(NCC[NH+]1CCOCC1)[C@H]1CCC(=O)O1 ZINC000864431184 589362660 /nfs/dbraw/zinc/36/26/60/589362660.db2.gz NNNQFBWTWFFKBK-SECBINFHSA-N 1 2 242.275 -0.860 20 0 BBADLO COC(=O)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864441576 589363551 /nfs/dbraw/zinc/36/35/51/589363551.db2.gz QDNDULJPCRPISG-IHWYPQMZSA-N 1 2 242.275 -0.836 20 0 BBADLO COC(=O)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864441577 589363441 /nfs/dbraw/zinc/36/34/41/589363441.db2.gz QDNDULJPCRPISG-NSCUHMNNSA-N 1 2 242.275 -0.836 20 0 BBADLO CCONC(=O)CNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864469295 589372469 /nfs/dbraw/zinc/37/24/69/589372469.db2.gz ORJJUDJCDLSTMQ-BQBZGAKWSA-N 1 2 214.269 -0.424 20 0 BBADLO CCONC(=O)CNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864469296 589372655 /nfs/dbraw/zinc/37/26/55/589372655.db2.gz ORJJUDJCDLSTMQ-NKWVEPMBSA-N 1 2 214.269 -0.424 20 0 BBADLO CCONC(=O)CNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864469297 584009261 /nfs/dbraw/zinc/00/92/61/584009261.db2.gz ORJJUDJCDLSTMQ-RNFRBKRXSA-N 1 2 214.269 -0.424 20 0 BBADLO CCONC(=O)CNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864469298 584009404 /nfs/dbraw/zinc/00/94/04/584009404.db2.gz ORJJUDJCDLSTMQ-RQJHMYQMSA-N 1 2 214.269 -0.424 20 0 BBADLO CCONC(=O)CNC(=[NH2+])NCCC1CC1 ZINC000864469819 589372983 /nfs/dbraw/zinc/37/29/83/589372983.db2.gz SSLFXJATIDXTFY-UHFFFAOYSA-N 1 2 228.296 -0.032 20 0 BBADLO C[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CCO1 ZINC000864660089 589388376 /nfs/dbraw/zinc/38/83/76/589388376.db2.gz CBGMATQDGNVUIE-APPZFPTMSA-N 1 2 225.248 -0.310 20 0 BBADLO C[C@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CCO1 ZINC000864660099 589388517 /nfs/dbraw/zinc/38/85/17/589388517.db2.gz CBGMATQDGNVUIE-CBAPKCEASA-N 1 2 225.248 -0.310 20 0 BBADLO C[C@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CCO1 ZINC000864660100 589388651 /nfs/dbraw/zinc/38/86/51/589388651.db2.gz CBGMATQDGNVUIE-IONNQARKSA-N 1 2 225.248 -0.310 20 0 BBADLO C[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CCO1 ZINC000864660102 589388562 /nfs/dbraw/zinc/38/85/62/589388562.db2.gz CBGMATQDGNVUIE-VXNVDRBHSA-N 1 2 225.248 -0.310 20 0 BBADLO CON(C)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000864685154 589389298 /nfs/dbraw/zinc/38/92/98/589389298.db2.gz GLNBFWHWFHXDRN-ARJAWSKDSA-N 1 2 214.265 -0.105 20 0 BBADLO CON(C)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000864685155 589389535 /nfs/dbraw/zinc/38/95/35/589389535.db2.gz GLNBFWHWFHXDRN-ONEGZZNKSA-N 1 2 214.265 -0.105 20 0 BBADLO CCONC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864689590 589390502 /nfs/dbraw/zinc/39/05/02/589390502.db2.gz NWOYRGWZWBCLIJ-ARJAWSKDSA-N 1 2 214.265 -0.058 20 0 BBADLO CCONC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864689591 589390130 /nfs/dbraw/zinc/39/01/30/589390130.db2.gz NWOYRGWZWBCLIJ-ONEGZZNKSA-N 1 2 214.265 -0.058 20 0 BBADLO COC(=O)CN(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864742820 589392223 /nfs/dbraw/zinc/39/22/23/589392223.db2.gz GYZLBWCSTKWHLW-MRVPVSSYSA-N 1 2 227.220 -0.926 20 0 BBADLO COC(=O)CN(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864742821 589392245 /nfs/dbraw/zinc/39/22/45/589392245.db2.gz GYZLBWCSTKWHLW-QMMMGPOBSA-N 1 2 227.220 -0.926 20 0 BBADLO NC(=O)CNC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000864746206 589392146 /nfs/dbraw/zinc/39/21/46/589392146.db2.gz SUQNCXZZSMEUMK-SSDOTTSWSA-N 1 2 249.261 -0.435 20 0 BBADLO NC(=O)CNC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000864746206 589392144 /nfs/dbraw/zinc/39/21/44/589392144.db2.gz SUQNCXZZSMEUMK-SSDOTTSWSA-N 1 2 249.261 -0.435 20 0 BBADLO NC(=O)CNC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000864746207 589392032 /nfs/dbraw/zinc/39/20/32/589392032.db2.gz SUQNCXZZSMEUMK-ZETCQYMHSA-N 1 2 249.261 -0.435 20 0 BBADLO NC(=O)CNC(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000864746207 589392031 /nfs/dbraw/zinc/39/20/31/589392031.db2.gz SUQNCXZZSMEUMK-ZETCQYMHSA-N 1 2 249.261 -0.435 20 0 BBADLO CONC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864747217 589392068 /nfs/dbraw/zinc/39/20/68/589392068.db2.gz AKRMKIITUBWFMX-IHWYPQMZSA-N 1 2 200.238 -0.448 20 0 BBADLO CONC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864747219 589392260 /nfs/dbraw/zinc/39/22/60/589392260.db2.gz AKRMKIITUBWFMX-NSCUHMNNSA-N 1 2 200.238 -0.448 20 0 BBADLO CCN(CCOC)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864812810 589395407 /nfs/dbraw/zinc/39/54/07/589395407.db2.gz CZRYQSOLPVLRKP-SECBINFHSA-N 1 2 227.264 -0.062 20 0 BBADLO CCN(CCOC)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864812811 589395258 /nfs/dbraw/zinc/39/52/58/589395258.db2.gz CZRYQSOLPVLRKP-VIFPVBQESA-N 1 2 227.264 -0.062 20 0 BBADLO CN(CCO)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000864813126 589395217 /nfs/dbraw/zinc/39/52/17/589395217.db2.gz AHLLSLGLANEWPR-IHWYPQMZSA-N 1 2 228.292 -0.675 20 0 BBADLO CN(CCO)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000864813127 589394325 /nfs/dbraw/zinc/39/43/25/589394325.db2.gz AHLLSLGLANEWPR-NSCUHMNNSA-N 1 2 228.292 -0.675 20 0 BBADLO O=C(/C=C/C[NH+]1CCOCC1)NCCCO ZINC000864813699 589395177 /nfs/dbraw/zinc/39/51/77/589395177.db2.gz OQXXPVDTLDEQEL-HNQUOIGGSA-N 1 2 228.292 -0.627 20 0 BBADLO O=C(/C=C\C[NH+]1CCOCC1)NCCCO ZINC000864813705 589395187 /nfs/dbraw/zinc/39/51/87/589395187.db2.gz OQXXPVDTLDEQEL-IWQZZHSRSA-N 1 2 228.292 -0.627 20 0 BBADLO C[C@@H](O)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864814369 589395750 /nfs/dbraw/zinc/39/57/50/589395750.db2.gz IAJXIOAGDOEQQH-MXQLGCADSA-N 1 2 228.292 -0.628 20 0 BBADLO C[C@H](O)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864814370 589395870 /nfs/dbraw/zinc/39/58/70/589395870.db2.gz IAJXIOAGDOEQQH-PBKGFPTLSA-N 1 2 228.292 -0.628 20 0 BBADLO C[C@@H](O)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864814371 589395905 /nfs/dbraw/zinc/39/59/05/589395905.db2.gz IAJXIOAGDOEQQH-VMZHVLLKSA-N 1 2 228.292 -0.628 20 0 BBADLO C[C@H](O)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864814372 589395854 /nfs/dbraw/zinc/39/58/54/589395854.db2.gz IAJXIOAGDOEQQH-ZMWSMAPVSA-N 1 2 228.292 -0.628 20 0 BBADLO CCN(CCO)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000864814519 589395613 /nfs/dbraw/zinc/39/56/13/589395613.db2.gz CCUNIWOYAACMAD-ARJAWSKDSA-N 1 2 242.319 -0.284 20 0 BBADLO CCN(CCO)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000864814520 589395622 /nfs/dbraw/zinc/39/56/22/589395622.db2.gz CCUNIWOYAACMAD-ONEGZZNKSA-N 1 2 242.319 -0.284 20 0 BBADLO CC[C@@H](CO)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864814712 589395850 /nfs/dbraw/zinc/39/58/50/589395850.db2.gz FZGCSRVFTFBXGW-BYCRGOAPSA-N 1 2 242.319 -0.238 20 0 BBADLO CC[C@H](CO)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864814713 589395596 /nfs/dbraw/zinc/39/55/96/589395596.db2.gz FZGCSRVFTFBXGW-DLRQAJBASA-N 1 2 242.319 -0.238 20 0 BBADLO CC[C@H](CO)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864814714 589395658 /nfs/dbraw/zinc/39/56/58/589395658.db2.gz FZGCSRVFTFBXGW-PGLGOXFNSA-N 1 2 242.319 -0.238 20 0 BBADLO CC[C@@H](CO)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864814715 589395628 /nfs/dbraw/zinc/39/56/28/589395628.db2.gz FZGCSRVFTFBXGW-UFFNRZRYSA-N 1 2 242.319 -0.238 20 0 BBADLO CCCN(CCO)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864816553 589396362 /nfs/dbraw/zinc/39/63/62/589396362.db2.gz DLJSDCOJRUBXFU-SECBINFHSA-N 1 2 227.264 -0.326 20 0 BBADLO CCCN(CCO)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864816554 589396233 /nfs/dbraw/zinc/39/62/33/589396233.db2.gz DLJSDCOJRUBXFU-VIFPVBQESA-N 1 2 227.264 -0.326 20 0 BBADLO C[C@H](CO)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864818723 589396618 /nfs/dbraw/zinc/39/66/18/589396618.db2.gz ILPMMDCXLUOAPY-MXQLGCADSA-N 1 2 228.292 -0.628 20 0 BBADLO C[C@@H](CO)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864818724 589396671 /nfs/dbraw/zinc/39/66/71/589396671.db2.gz ILPMMDCXLUOAPY-PBKGFPTLSA-N 1 2 228.292 -0.628 20 0 BBADLO C[C@H](CO)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864818725 589396654 /nfs/dbraw/zinc/39/66/54/589396654.db2.gz ILPMMDCXLUOAPY-VMZHVLLKSA-N 1 2 228.292 -0.628 20 0 BBADLO C[C@@H](CO)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864818726 589396554 /nfs/dbraw/zinc/39/65/54/589396554.db2.gz ILPMMDCXLUOAPY-ZMWSMAPVSA-N 1 2 228.292 -0.628 20 0 BBADLO COCCN(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864955016 589402241 /nfs/dbraw/zinc/40/22/41/589402241.db2.gz AVCAKCDYSDBFER-MRVPVSSYSA-N 1 2 213.237 -0.452 20 0 BBADLO COCCN(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864955017 589402219 /nfs/dbraw/zinc/40/22/19/589402219.db2.gz AVCAKCDYSDBFER-QMMMGPOBSA-N 1 2 213.237 -0.452 20 0 BBADLO COCCN(C)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000864955491 589402173 /nfs/dbraw/zinc/40/21/73/589402173.db2.gz POVOQERDYMGWNQ-ARJAWSKDSA-N 1 2 242.319 -0.020 20 0 BBADLO COCCN(C)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000864955492 589402186 /nfs/dbraw/zinc/40/21/86/589402186.db2.gz POVOQERDYMGWNQ-ONEGZZNKSA-N 1 2 242.319 -0.020 20 0 BBADLO COCCCN(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865025587 589405356 /nfs/dbraw/zinc/40/53/56/589405356.db2.gz SHGVRGQAFRYRHA-SECBINFHSA-N 1 2 227.264 -0.062 20 0 BBADLO COCCCN(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865025588 589405458 /nfs/dbraw/zinc/40/54/58/589405458.db2.gz SHGVRGQAFRYRHA-VIFPVBQESA-N 1 2 227.264 -0.062 20 0 BBADLO CCOC(=O)CN(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865027366 589405365 /nfs/dbraw/zinc/40/53/65/589405365.db2.gz MVGQFERVLHFNNP-SECBINFHSA-N 1 2 241.247 -0.535 20 0 BBADLO CCOC(=O)CN(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865027367 589405323 /nfs/dbraw/zinc/40/53/23/589405323.db2.gz MVGQFERVLHFNNP-VIFPVBQESA-N 1 2 241.247 -0.535 20 0 BBADLO Cc1cc(N2CC[C@@H](O)[C@@H](O)C2)nc[nH+]1 ZINC000865201853 589414266 /nfs/dbraw/zinc/41/42/66/589414266.db2.gz ILAFJHIORLRIFB-BDAKNGLRSA-N 1 2 209.249 -0.283 20 0 BBADLO Cc1nc(N2CC[C@@H](O)[C@@H](O)C2)cc[nH+]1 ZINC000865202148 589414184 /nfs/dbraw/zinc/41/41/84/589414184.db2.gz NXSPQVXZIFIWOE-BDAKNGLRSA-N 1 2 209.249 -0.283 20 0 BBADLO Nc1nc[nH+]c(N2CC[C@@H](O)[C@@H](O)C2)c1Cl ZINC000865202403 589414097 /nfs/dbraw/zinc/41/40/97/589414097.db2.gz RXKPONDIENWHDU-RITPCOANSA-N 1 2 244.682 -0.356 20 0 BBADLO Nc1[nH+]cnc(N2CC[C@@H](O)[C@@H](O)C2)c1Cl ZINC000865202403 589414096 /nfs/dbraw/zinc/41/40/96/589414096.db2.gz RXKPONDIENWHDU-RITPCOANSA-N 1 2 244.682 -0.356 20 0 BBADLO CN(C)[S@@](C)(=O)=NC(=O)Cn1cc[nH+]c1 ZINC000865361756 589426066 /nfs/dbraw/zinc/42/60/66/589426066.db2.gz YOWSQSSTXFPPHG-HNNXBMFYSA-N 1 2 230.293 -0.016 20 0 BBADLO CN(C)[S@](C)(=O)=NC(=O)Cn1cc[nH+]c1 ZINC000865361757 589426120 /nfs/dbraw/zinc/42/61/20/589426120.db2.gz YOWSQSSTXFPPHG-OAHLLOKOSA-N 1 2 230.293 -0.016 20 0 BBADLO CN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@@H]1CCOC1 ZINC000865556989 589446385 /nfs/dbraw/zinc/44/63/85/589446385.db2.gz GWWQKCFBZJYYBP-APPZFPTMSA-N 1 2 225.248 -0.310 20 0 BBADLO CN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@H]1CCOC1 ZINC000865556990 589446180 /nfs/dbraw/zinc/44/61/80/589446180.db2.gz GWWQKCFBZJYYBP-CBAPKCEASA-N 1 2 225.248 -0.310 20 0 BBADLO CN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@H]1CCOC1 ZINC000865556992 589446141 /nfs/dbraw/zinc/44/61/41/589446141.db2.gz GWWQKCFBZJYYBP-IONNQARKSA-N 1 2 225.248 -0.310 20 0 BBADLO CN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@@H]1CCOC1 ZINC000865556994 589446487 /nfs/dbraw/zinc/44/64/87/589446487.db2.gz GWWQKCFBZJYYBP-VXNVDRBHSA-N 1 2 225.248 -0.310 20 0 BBADLO OCC(CO)Nc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865560955 589447151 /nfs/dbraw/zinc/44/71/51/589447151.db2.gz GEQCAZOECFFQLO-UHFFFAOYSA-N 1 2 242.666 -0.202 20 0 BBADLO CCn1nc(C)c(C[NH2+][C@@H]2COC[C@@H]2O)n1 ZINC000865665738 589455126 /nfs/dbraw/zinc/45/51/26/589455126.db2.gz ATWFPRQHKSBXRU-ZJUUUORDSA-N 1 2 226.280 -0.544 20 0 BBADLO CCn1ncc(C[NH2+][C@@H]2COC[C@@H]2O)n1 ZINC000865665798 589455300 /nfs/dbraw/zinc/45/53/00/589455300.db2.gz DDCMSLZMMJQUPR-BDAKNGLRSA-N 1 2 212.253 -0.853 20 0 BBADLO CCn1ncc(C[NH2+][C@@](C)(CO)COC)n1 ZINC000865672088 589455496 /nfs/dbraw/zinc/45/54/96/589455496.db2.gz NDLCVVVJGSDBED-JTQLQIEISA-N 1 2 228.296 -0.215 20 0 BBADLO CCn1ncc(C[NH2+][C@](C)(CO)COC)n1 ZINC000865672089 589455429 /nfs/dbraw/zinc/45/54/29/589455429.db2.gz NDLCVVVJGSDBED-SNVBAGLBSA-N 1 2 228.296 -0.215 20 0 BBADLO CN(CCn1cccn1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865705183 589457621 /nfs/dbraw/zinc/45/76/21/589457621.db2.gz JJSILDRUHMQPIM-JTQLQIEISA-N 1 2 249.274 -0.202 20 0 BBADLO CN(CCn1cccn1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865705184 589457785 /nfs/dbraw/zinc/45/77/85/589457785.db2.gz JJSILDRUHMQPIM-SNVBAGLBSA-N 1 2 249.274 -0.202 20 0 BBADLO Cc1nc(N)nc(N2CC(=O)N(C)C[C@@H]2C)[nH+]1 ZINC000865711197 589458119 /nfs/dbraw/zinc/45/81/19/589458119.db2.gz KKSYLNWSTRPABH-LURJTMIESA-N 1 2 236.279 -0.571 20 0 BBADLO Cc1nc(N2CC(=O)N(C)C[C@@H]2C)nc(N)[nH+]1 ZINC000865711197 589458118 /nfs/dbraw/zinc/45/81/18/589458118.db2.gz KKSYLNWSTRPABH-LURJTMIESA-N 1 2 236.279 -0.571 20 0 BBADLO Cc1nc(N)nc(N2CC(=O)N(C)C[C@H]2C)[nH+]1 ZINC000865711198 589457896 /nfs/dbraw/zinc/45/78/96/589457896.db2.gz KKSYLNWSTRPABH-ZCFIWIBFSA-N 1 2 236.279 -0.571 20 0 BBADLO Cc1nc(N2CC(=O)N(C)C[C@H]2C)nc(N)[nH+]1 ZINC000865711198 589457895 /nfs/dbraw/zinc/45/78/95/589457895.db2.gz KKSYLNWSTRPABH-ZCFIWIBFSA-N 1 2 236.279 -0.571 20 0 BBADLO Cc1nc(N)nc(N2C[C@@H]3C[C@]3(CO)C2)[nH+]1 ZINC000865711601 589458035 /nfs/dbraw/zinc/45/80/35/589458035.db2.gz PCQRPFHGCKNKOJ-OIBJUYFYSA-N 1 2 221.264 -0.419 20 0 BBADLO Cc1nc(N2C[C@@H]3C[C@]3(CO)C2)nc(N)[nH+]1 ZINC000865711601 589458034 /nfs/dbraw/zinc/45/80/34/589458034.db2.gz PCQRPFHGCKNKOJ-OIBJUYFYSA-N 1 2 221.264 -0.419 20 0 BBADLO Cc1nc(N)nc(N2C[C@H]3C[C@@]3(CO)C2)[nH+]1 ZINC000865711602 589457943 /nfs/dbraw/zinc/45/79/43/589457943.db2.gz PCQRPFHGCKNKOJ-XCBNKYQSSA-N 1 2 221.264 -0.419 20 0 BBADLO Cc1nc(N2C[C@H]3C[C@@]3(CO)C2)nc(N)[nH+]1 ZINC000865711602 589457942 /nfs/dbraw/zinc/45/79/42/589457942.db2.gz PCQRPFHGCKNKOJ-XCBNKYQSSA-N 1 2 221.264 -0.419 20 0 BBADLO CC[C@@]1(C(=O)NCc2[nH]cc[nH+]2)CCNC1=O ZINC000865718596 589458387 /nfs/dbraw/zinc/45/83/87/589458387.db2.gz JSHCTBXKKAAHGQ-LLVKDONJSA-N 1 2 236.275 -0.058 20 0 BBADLO CC[C@]1(C(=O)NCc2[nH]cc[nH+]2)CCNC1=O ZINC000865718603 589458378 /nfs/dbraw/zinc/45/83/78/589458378.db2.gz JSHCTBXKKAAHGQ-NSHDSACASA-N 1 2 236.275 -0.058 20 0 BBADLO CNC(=O)[C@@H](O)CNc1ccc([C@@H](C)O)c[nH+]1 ZINC000865725332 584027308 /nfs/dbraw/zinc/02/73/08/584027308.db2.gz WZYGNYUVYQQTPN-APPZFPTMSA-N 1 2 239.275 -0.346 20 0 BBADLO CNC(=O)[C@@H](O)CNc1ccc([C@H](C)O)c[nH+]1 ZINC000865725333 584027452 /nfs/dbraw/zinc/02/74/52/584027452.db2.gz WZYGNYUVYQQTPN-CBAPKCEASA-N 1 2 239.275 -0.346 20 0 BBADLO CNC(=O)[C@H](O)CNc1ccc([C@H](C)O)c[nH+]1 ZINC000865725334 584027678 /nfs/dbraw/zinc/02/76/78/584027678.db2.gz WZYGNYUVYQQTPN-IONNQARKSA-N 1 2 239.275 -0.346 20 0 BBADLO CNC(=O)[C@H](O)CNc1ccc([C@@H](C)O)c[nH+]1 ZINC000865725335 584027182 /nfs/dbraw/zinc/02/71/82/584027182.db2.gz WZYGNYUVYQQTPN-VXNVDRBHSA-N 1 2 239.275 -0.346 20 0 BBADLO COC1CN(C(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865743185 589460429 /nfs/dbraw/zinc/46/04/29/589460429.db2.gz LFQCBBKIDOTEFE-IHWYPQMZSA-N 1 2 240.303 -0.268 20 0 BBADLO COC1CN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865743186 589460466 /nfs/dbraw/zinc/46/04/66/589460466.db2.gz LFQCBBKIDOTEFE-NSCUHMNNSA-N 1 2 240.303 -0.268 20 0 BBADLO Cn1ncc(C[NH2+]C2CN(c3ccncn3)C2)n1 ZINC000865747772 589460744 /nfs/dbraw/zinc/46/07/44/589460744.db2.gz SVRGVVXQUITDNQ-UHFFFAOYSA-N 1 2 245.290 -0.417 20 0 BBADLO CCn1ncc(C[NH2+][C@@H]2COCC[C@H]2O)n1 ZINC000865749559 589460809 /nfs/dbraw/zinc/46/08/09/589460809.db2.gz FLOSNXLIUNVOEC-NXEZZACHSA-N 1 2 226.280 -0.463 20 0 BBADLO CCn1nc(C)c(C[NH2+][C@@H]2COCC[C@H]2O)n1 ZINC000865749868 589460656 /nfs/dbraw/zinc/46/06/56/589460656.db2.gz HXZHWZCBJFKBMG-GHMZBOCLSA-N 1 2 240.307 -0.154 20 0 BBADLO COC(=O)[C@H]1[C@@H]2CN(c3nc(N)nc(C)[nH+]3)C[C@@H]21 ZINC000865825820 589463361 /nfs/dbraw/zinc/46/33/61/589463361.db2.gz IKPQBWLAWGWNOE-JIGDXULJSA-N 1 2 249.274 -0.383 20 0 BBADLO COC(=O)[C@H]1[C@@H]2CN(c3nc(C)[nH+]c(N)n3)C[C@@H]21 ZINC000865825820 589463360 /nfs/dbraw/zinc/46/33/60/589463360.db2.gz IKPQBWLAWGWNOE-JIGDXULJSA-N 1 2 249.274 -0.383 20 0 BBADLO Cc1nc(N)nc(N2CC[C@](O)(C(F)F)C2)[nH+]1 ZINC000865849715 589464924 /nfs/dbraw/zinc/46/49/24/589464924.db2.gz ORXFOIVVXIEFRK-SECBINFHSA-N 1 2 245.233 -0.031 20 0 BBADLO Cc1nc(N2CC[C@](O)(C(F)F)C2)nc(N)[nH+]1 ZINC000865849715 589464923 /nfs/dbraw/zinc/46/49/23/589464923.db2.gz ORXFOIVVXIEFRK-SECBINFHSA-N 1 2 245.233 -0.031 20 0 BBADLO Cc1nc(N)nc(N2CC[C@@](O)(C(F)F)C2)[nH+]1 ZINC000865849724 589464914 /nfs/dbraw/zinc/46/49/14/589464914.db2.gz ORXFOIVVXIEFRK-VIFPVBQESA-N 1 2 245.233 -0.031 20 0 BBADLO Cc1nc(N2CC[C@@](O)(C(F)F)C2)nc(N)[nH+]1 ZINC000865849724 589464913 /nfs/dbraw/zinc/46/49/13/589464913.db2.gz ORXFOIVVXIEFRK-VIFPVBQESA-N 1 2 245.233 -0.031 20 0 BBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1nccc(N)n1 ZINC000865906028 589467868 /nfs/dbraw/zinc/46/78/68/589467868.db2.gz FLGQFLAKXKIJOY-MRVPVSSYSA-N 1 2 246.274 -0.096 20 0 BBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1nccc(N)n1 ZINC000865906029 589467991 /nfs/dbraw/zinc/46/79/91/589467991.db2.gz FLGQFLAKXKIJOY-QMMMGPOBSA-N 1 2 246.274 -0.096 20 0 BBADLO C[C@@H](O)CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865952350 589470103 /nfs/dbraw/zinc/47/01/03/589470103.db2.gz QXJGGIOULDOFED-KXMPLOMGSA-N 1 2 242.319 -0.238 20 0 BBADLO C[C@@H](O)CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865952351 589470089 /nfs/dbraw/zinc/47/00/89/589470089.db2.gz QXJGGIOULDOFED-OTDNITJGSA-N 1 2 242.319 -0.238 20 0 BBADLO C[C@H](O)CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865952352 589470076 /nfs/dbraw/zinc/47/00/76/589470076.db2.gz QXJGGIOULDOFED-QUCGXOGASA-N 1 2 242.319 -0.238 20 0 BBADLO C[C@H](O)CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865952353 589470057 /nfs/dbraw/zinc/47/00/57/589470057.db2.gz QXJGGIOULDOFED-VUDBWIFFSA-N 1 2 242.319 -0.238 20 0 BBADLO Cn1c[nH+]cc1CCNC(=O)c1nccc(N)n1 ZINC000865972792 589470932 /nfs/dbraw/zinc/47/09/32/589470932.db2.gz ZLWDJSZCCUCYEA-UHFFFAOYSA-N 1 2 246.274 -0.405 20 0 BBADLO CC[C@@]1(C(=O)NCc2c[nH]c[nH+]2)CCNC1=O ZINC000865992904 589471744 /nfs/dbraw/zinc/47/17/44/589471744.db2.gz LDFONBAYQAXXRE-LLVKDONJSA-N 1 2 236.275 -0.058 20 0 BBADLO CC[C@@]1(C(=O)NCc2c[nH+]c[nH]2)CCNC1=O ZINC000865992904 589471743 /nfs/dbraw/zinc/47/17/43/589471743.db2.gz LDFONBAYQAXXRE-LLVKDONJSA-N 1 2 236.275 -0.058 20 0 BBADLO CC[C@]1(C(=O)NCc2c[nH]c[nH+]2)CCNC1=O ZINC000865992905 589471697 /nfs/dbraw/zinc/47/16/97/589471697.db2.gz LDFONBAYQAXXRE-NSHDSACASA-N 1 2 236.275 -0.058 20 0 BBADLO CC[C@]1(C(=O)NCc2c[nH+]c[nH]2)CCNC1=O ZINC000865992905 589471696 /nfs/dbraw/zinc/47/16/96/589471696.db2.gz LDFONBAYQAXXRE-NSHDSACASA-N 1 2 236.275 -0.058 20 0 BBADLO Nc1ccnc(C(=O)N[C@@H]2CCn3cc[nH+]c32)n1 ZINC000866004142 589472196 /nfs/dbraw/zinc/47/21/96/589472196.db2.gz YQPXLGAEJLHORB-SSDOTTSWSA-N 1 2 244.258 -0.040 20 0 BBADLO Nc1ccnc(C(=O)N[C@H]2CCn3cc[nH+]c32)n1 ZINC000866004143 589472231 /nfs/dbraw/zinc/47/22/31/589472231.db2.gz YQPXLGAEJLHORB-ZETCQYMHSA-N 1 2 244.258 -0.040 20 0 BBADLO Cn1c[nH+]c(CCNC(=O)c2nccc(N)n2)c1 ZINC000866007063 589472559 /nfs/dbraw/zinc/47/25/59/589472559.db2.gz FZWMENBHGYLTIE-UHFFFAOYSA-N 1 2 246.274 -0.405 20 0 BBADLO C[C@@H]1CN(C(=O)CCc2nn[nH]n2)CC[N@H+]1C ZINC000866096293 589475584 /nfs/dbraw/zinc/47/55/84/589475584.db2.gz BGGSGXAUMYSVNK-MRVPVSSYSA-N 1 2 238.295 -0.705 20 0 BBADLO C[C@@H]1CN(C(=O)CCc2nn[nH]n2)CC[N@@H+]1C ZINC000866096293 589475583 /nfs/dbraw/zinc/47/55/83/589475583.db2.gz BGGSGXAUMYSVNK-MRVPVSSYSA-N 1 2 238.295 -0.705 20 0 BBADLO C[C@H]1CN(C(=O)CCc2nn[nH]n2)CC[N@H+]1C ZINC000866096294 589475522 /nfs/dbraw/zinc/47/55/22/589475522.db2.gz BGGSGXAUMYSVNK-QMMMGPOBSA-N 1 2 238.295 -0.705 20 0 BBADLO C[C@H]1CN(C(=O)CCc2nn[nH]n2)CC[N@@H+]1C ZINC000866096294 589475521 /nfs/dbraw/zinc/47/55/21/589475521.db2.gz BGGSGXAUMYSVNK-QMMMGPOBSA-N 1 2 238.295 -0.705 20 0 BBADLO C[C@@H]1CN(C(=O)Cc2ncn[nH]2)CC[N@H+]1C ZINC000866096572 589475758 /nfs/dbraw/zinc/47/57/58/589475758.db2.gz DHXVRHFKBIXANT-MRVPVSSYSA-N 1 2 223.280 -0.490 20 0 BBADLO C[C@@H]1CN(C(=O)Cc2ncn[nH]2)CC[N@@H+]1C ZINC000866096572 589475757 /nfs/dbraw/zinc/47/57/57/589475757.db2.gz DHXVRHFKBIXANT-MRVPVSSYSA-N 1 2 223.280 -0.490 20 0 BBADLO C[C@H]1CN(C(=O)Cc2ncn[nH]2)CC[N@H+]1C ZINC000866096577 589475973 /nfs/dbraw/zinc/47/59/73/589475973.db2.gz DHXVRHFKBIXANT-QMMMGPOBSA-N 1 2 223.280 -0.490 20 0 BBADLO C[C@H]1CN(C(=O)Cc2ncn[nH]2)CC[N@@H+]1C ZINC000866096577 589475972 /nfs/dbraw/zinc/47/59/72/589475972.db2.gz DHXVRHFKBIXANT-QMMMGPOBSA-N 1 2 223.280 -0.490 20 0 BBADLO C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[N@H+]1C ZINC000866097191 589475661 /nfs/dbraw/zinc/47/56/61/589475661.db2.gz ISTQXUGYJQHXID-MRVPVSSYSA-N 1 2 246.332 -0.807 20 0 BBADLO C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[N@@H+]1C ZINC000866097191 589475660 /nfs/dbraw/zinc/47/56/60/589475660.db2.gz ISTQXUGYJQHXID-MRVPVSSYSA-N 1 2 246.332 -0.807 20 0 BBADLO C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[N@H+]1C ZINC000866097192 589475966 /nfs/dbraw/zinc/47/59/66/589475966.db2.gz ISTQXUGYJQHXID-QMMMGPOBSA-N 1 2 246.332 -0.807 20 0 BBADLO C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[N@@H+]1C ZINC000866097192 589475965 /nfs/dbraw/zinc/47/59/65/589475965.db2.gz ISTQXUGYJQHXID-QMMMGPOBSA-N 1 2 246.332 -0.807 20 0 BBADLO C[C@@H]1CN(C(=O)c2cc(CO)on2)CC[N@H+]1C ZINC000866098293 589475673 /nfs/dbraw/zinc/47/56/73/589475673.db2.gz RMSKYIJMXLTUDK-MRVPVSSYSA-N 1 2 239.275 -0.057 20 0 BBADLO C[C@@H]1CN(C(=O)c2cc(CO)on2)CC[N@@H+]1C ZINC000866098293 589475672 /nfs/dbraw/zinc/47/56/72/589475672.db2.gz RMSKYIJMXLTUDK-MRVPVSSYSA-N 1 2 239.275 -0.057 20 0 BBADLO C[C@H]1CN(C(=O)c2cc(CO)on2)CC[N@H+]1C ZINC000866098300 589475669 /nfs/dbraw/zinc/47/56/69/589475669.db2.gz RMSKYIJMXLTUDK-QMMMGPOBSA-N 1 2 239.275 -0.057 20 0 BBADLO C[C@H]1CN(C(=O)c2cc(CO)on2)CC[N@@H+]1C ZINC000866098300 589475668 /nfs/dbraw/zinc/47/56/68/589475668.db2.gz RMSKYIJMXLTUDK-QMMMGPOBSA-N 1 2 239.275 -0.057 20 0 BBADLO C[C@@H]1CN(C(=O)CCc2cnn[nH]2)CC[N@H+]1C ZINC000866098860 589475946 /nfs/dbraw/zinc/47/59/46/589475946.db2.gz UWSTUAAFZOJWLB-SECBINFHSA-N 1 2 237.307 -0.100 20 0 BBADLO C[C@@H]1CN(C(=O)CCc2cnn[nH]2)CC[N@@H+]1C ZINC000866098860 589475945 /nfs/dbraw/zinc/47/59/45/589475945.db2.gz UWSTUAAFZOJWLB-SECBINFHSA-N 1 2 237.307 -0.100 20 0 BBADLO C[C@@H]1CN(C(=O)CCc2c[nH]nn2)CC[N@H+]1C ZINC000866098860 589475944 /nfs/dbraw/zinc/47/59/44/589475944.db2.gz UWSTUAAFZOJWLB-SECBINFHSA-N 1 2 237.307 -0.100 20 0 BBADLO C[C@@H]1CN(C(=O)CCc2c[nH]nn2)CC[N@@H+]1C ZINC000866098860 589475943 /nfs/dbraw/zinc/47/59/43/589475943.db2.gz UWSTUAAFZOJWLB-SECBINFHSA-N 1 2 237.307 -0.100 20 0 BBADLO C[C@@H]1CN(C(=O)CCc2cn[nH]n2)CC[N@H+]1C ZINC000866098860 589475942 /nfs/dbraw/zinc/47/59/42/589475942.db2.gz UWSTUAAFZOJWLB-SECBINFHSA-N 1 2 237.307 -0.100 20 0 BBADLO C[C@@H]1CN(C(=O)CCc2cn[nH]n2)CC[N@@H+]1C ZINC000866098860 589475941 /nfs/dbraw/zinc/47/59/41/589475941.db2.gz UWSTUAAFZOJWLB-SECBINFHSA-N 1 2 237.307 -0.100 20 0 BBADLO C[C@H]1CN(C(=O)CCc2cnn[nH]2)CC[N@H+]1C ZINC000866098861 589475831 /nfs/dbraw/zinc/47/58/31/589475831.db2.gz UWSTUAAFZOJWLB-VIFPVBQESA-N 1 2 237.307 -0.100 20 0 BBADLO C[C@H]1CN(C(=O)CCc2cnn[nH]2)CC[N@@H+]1C ZINC000866098861 589475830 /nfs/dbraw/zinc/47/58/30/589475830.db2.gz UWSTUAAFZOJWLB-VIFPVBQESA-N 1 2 237.307 -0.100 20 0 BBADLO C[C@H]1CN(C(=O)CCc2c[nH]nn2)CC[N@H+]1C ZINC000866098861 589475829 /nfs/dbraw/zinc/47/58/29/589475829.db2.gz UWSTUAAFZOJWLB-VIFPVBQESA-N 1 2 237.307 -0.100 20 0 BBADLO C[C@H]1CN(C(=O)CCc2c[nH]nn2)CC[N@@H+]1C ZINC000866098861 589475828 /nfs/dbraw/zinc/47/58/28/589475828.db2.gz UWSTUAAFZOJWLB-VIFPVBQESA-N 1 2 237.307 -0.100 20 0 BBADLO C[C@H]1CN(C(=O)CCc2cn[nH]n2)CC[N@H+]1C ZINC000866098861 589475827 /nfs/dbraw/zinc/47/58/27/589475827.db2.gz UWSTUAAFZOJWLB-VIFPVBQESA-N 1 2 237.307 -0.100 20 0 BBADLO C[C@H]1CN(C(=O)CCc2cn[nH]n2)CC[N@@H+]1C ZINC000866098861 589475826 /nfs/dbraw/zinc/47/58/26/589475826.db2.gz UWSTUAAFZOJWLB-VIFPVBQESA-N 1 2 237.307 -0.100 20 0 BBADLO COc1c(C)[nH+]cnc1NC[C@@H](O)[C@@H](C)O ZINC000866112124 589476980 /nfs/dbraw/zinc/47/69/80/589476980.db2.gz TURUJNZRVIJCSE-HTQZYQBOSA-N 1 2 227.264 -0.053 20 0 BBADLO COc1c(C)[nH+]cnc1NC[C@@H](O)[C@H](C)O ZINC000866112125 589476949 /nfs/dbraw/zinc/47/69/49/589476949.db2.gz TURUJNZRVIJCSE-JGVFFNPUSA-N 1 2 227.264 -0.053 20 0 BBADLO COc1c(C)[nH+]cnc1NC[C@H](O)[C@@H](C)O ZINC000866112126 589475496 /nfs/dbraw/zinc/47/54/96/589475496.db2.gz TURUJNZRVIJCSE-SFYZADRCSA-N 1 2 227.264 -0.053 20 0 BBADLO COc1c(C)[nH+]cnc1NC[C@H](O)[C@H](C)O ZINC000866112127 589475488 /nfs/dbraw/zinc/47/54/88/589475488.db2.gz TURUJNZRVIJCSE-YUMQZZPRSA-N 1 2 227.264 -0.053 20 0 BBADLO CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000866120036 589477573 /nfs/dbraw/zinc/47/75/73/589477573.db2.gz PVGRWDSFZXKKQT-MRVPVSSYSA-N 1 2 231.271 -0.718 20 0 BBADLO CNC(=O)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000866120036 589477572 /nfs/dbraw/zinc/47/75/72/589477572.db2.gz PVGRWDSFZXKKQT-MRVPVSSYSA-N 1 2 231.271 -0.718 20 0 BBADLO CNC(=O)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000866120037 589477578 /nfs/dbraw/zinc/47/75/78/589477578.db2.gz PVGRWDSFZXKKQT-QMMMGPOBSA-N 1 2 231.271 -0.718 20 0 BBADLO CNC(=O)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000866120037 589477577 /nfs/dbraw/zinc/47/75/77/589477577.db2.gz PVGRWDSFZXKKQT-QMMMGPOBSA-N 1 2 231.271 -0.718 20 0 BBADLO C[N@H+]1Cc2ccccc2[C@@H]1CNS(N)(=O)=O ZINC000866147000 589478262 /nfs/dbraw/zinc/47/82/62/589478262.db2.gz RNVIDNLVUUXDKJ-JTQLQIEISA-N 1 2 241.316 -0.034 20 0 BBADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNS(N)(=O)=O ZINC000866147000 589478261 /nfs/dbraw/zinc/47/82/61/589478261.db2.gz RNVIDNLVUUXDKJ-JTQLQIEISA-N 1 2 241.316 -0.034 20 0 BBADLO C[N@H+]1Cc2ccccc2[C@H]1CNS(N)(=O)=O ZINC000866147001 589478203 /nfs/dbraw/zinc/47/82/03/589478203.db2.gz RNVIDNLVUUXDKJ-SNVBAGLBSA-N 1 2 241.316 -0.034 20 0 BBADLO C[N@@H+]1Cc2ccccc2[C@H]1CNS(N)(=O)=O ZINC000866147001 589478202 /nfs/dbraw/zinc/47/82/02/589478202.db2.gz RNVIDNLVUUXDKJ-SNVBAGLBSA-N 1 2 241.316 -0.034 20 0 BBADLO Cc1nc(N2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc[nH+]1 ZINC000866163833 589478625 /nfs/dbraw/zinc/47/86/25/589478625.db2.gz FKDICFOTNXGUPR-DTORHVGOSA-N 1 2 246.270 -0.164 20 0 BBADLO Cc1cc(N2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)nc[nH+]1 ZINC000866164222 589478645 /nfs/dbraw/zinc/47/86/45/589478645.db2.gz RGCXJDZSUMWXPF-DTORHVGOSA-N 1 2 246.270 -0.164 20 0 BBADLO CN1CCN(S(N)(=O)=O)Cc2ccc[nH+]c21 ZINC000866181584 589479224 /nfs/dbraw/zinc/47/92/24/589479224.db2.gz IBNQIIXVTVFAQD-UHFFFAOYSA-N 1 2 242.304 -0.463 20 0 BBADLO CNC(=O)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000866182181 589479113 /nfs/dbraw/zinc/47/91/13/589479113.db2.gz UXRKNUMYDMPDGE-UHFFFAOYSA-N 1 2 248.286 -0.394 20 0 BBADLO CC(C)(O)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000866214436 589481029 /nfs/dbraw/zinc/48/10/29/589481029.db2.gz AEBBZVCNIBZPLF-ARJAWSKDSA-N 1 2 242.319 -0.238 20 0 BBADLO CC(C)(O)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000866214438 589480901 /nfs/dbraw/zinc/48/09/01/589480901.db2.gz AEBBZVCNIBZPLF-ONEGZZNKSA-N 1 2 242.319 -0.238 20 0 BBADLO COc1c(C)[nH+]cnc1N1CC[C@@H](O)[C@@H](O)C1 ZINC000866224200 589481396 /nfs/dbraw/zinc/48/13/96/589481396.db2.gz XQJLBZAPMVWJOK-BDAKNGLRSA-N 1 2 239.275 -0.274 20 0 BBADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000866254232 589483217 /nfs/dbraw/zinc/48/32/17/589483217.db2.gz UDHPMVQTBOYEAO-KHQFGBGNSA-N 1 2 237.259 -0.167 20 0 BBADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000866254233 589483128 /nfs/dbraw/zinc/48/31/28/589483128.db2.gz UDHPMVQTBOYEAO-XKSSXDPKSA-N 1 2 237.259 -0.167 20 0 BBADLO C[C@H](O)CN(C)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000866314274 589486174 /nfs/dbraw/zinc/48/61/74/589486174.db2.gz FNDGYHNTIMDFJM-BYCRGOAPSA-N 1 2 242.319 -0.286 20 0 BBADLO C[C@@H](O)CN(C)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000866314275 589486160 /nfs/dbraw/zinc/48/61/60/589486160.db2.gz FNDGYHNTIMDFJM-DLRQAJBASA-N 1 2 242.319 -0.286 20 0 BBADLO C[C@@H](O)CN(C)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000866314276 589486032 /nfs/dbraw/zinc/48/60/32/589486032.db2.gz FNDGYHNTIMDFJM-PGLGOXFNSA-N 1 2 242.319 -0.286 20 0 BBADLO C[C@H](O)CN(C)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000866314277 589485948 /nfs/dbraw/zinc/48/59/48/589485948.db2.gz FNDGYHNTIMDFJM-UFFNRZRYSA-N 1 2 242.319 -0.286 20 0 BBADLO O=C(/C=C\C[NH+]1CCOCC1)N1CC[C@H](O)C1 ZINC000866316141 589485993 /nfs/dbraw/zinc/48/59/93/589485993.db2.gz NEBRNSAXKNEMOW-BVBSBALXSA-N 1 2 240.303 -0.532 20 0 BBADLO O=C(/C=C/C[NH+]1CCOCC1)N1CC[C@H](O)C1 ZINC000866316146 589486119 /nfs/dbraw/zinc/48/61/19/589486119.db2.gz NEBRNSAXKNEMOW-GXFZAYBSSA-N 1 2 240.303 -0.532 20 0 BBADLO C[C@@H](O)CCN(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866318693 589486416 /nfs/dbraw/zinc/48/64/16/589486416.db2.gz BIRXCWNECZVAKC-APPZFPTMSA-N 1 2 227.264 -0.328 20 0 BBADLO C[C@H](O)CCN(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866318694 589486369 /nfs/dbraw/zinc/48/63/69/589486369.db2.gz BIRXCWNECZVAKC-CBAPKCEASA-N 1 2 227.264 -0.328 20 0 BBADLO C[C@H](O)CCN(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866318695 589486197 /nfs/dbraw/zinc/48/61/97/589486197.db2.gz BIRXCWNECZVAKC-IONNQARKSA-N 1 2 227.264 -0.328 20 0 BBADLO C[C@@H](O)CCN(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866318696 589486258 /nfs/dbraw/zinc/48/62/58/589486258.db2.gz 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O=C([C@H](O)c1c[nH+]c[nH]1)N(CCCO)C1CC1 ZINC000867091246 587706127 /nfs/dbraw/zinc/70/61/27/587706127.db2.gz FPNAPWXAKQHXAH-SNVBAGLBSA-N 1 2 239.275 -0.184 20 0 BBADLO COC1(C)CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000867116768 587779454 /nfs/dbraw/zinc/77/94/54/587779454.db2.gz FWVNEHGVVGIKLQ-MRVPVSSYSA-N 1 2 225.248 -0.310 20 0 BBADLO COC1(C)CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000867116769 587779374 /nfs/dbraw/zinc/77/93/74/587779374.db2.gz FWVNEHGVVGIKLQ-QMMMGPOBSA-N 1 2 225.248 -0.310 20 0 BBADLO C[C@@]1(O)CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000867121282 587800424 /nfs/dbraw/zinc/80/04/24/587800424.db2.gz BHXDGGLVTNOTCJ-GXSJLCMTSA-N 1 2 239.275 -0.184 20 0 BBADLO C[C@]1(O)CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000867121284 587800389 /nfs/dbraw/zinc/80/03/89/587800389.db2.gz BHXDGGLVTNOTCJ-KOLCDFICSA-N 1 2 239.275 -0.184 20 0 BBADLO C[C@@]1(O)CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000867121286 587800480 /nfs/dbraw/zinc/80/04/80/587800480.db2.gz BHXDGGLVTNOTCJ-MWLCHTKSSA-N 1 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242.319 -0.044 20 0 BBADLO CC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870078291 589644172 /nfs/dbraw/zinc/64/41/72/589644172.db2.gz WYKXDLVOPCSVEY-LLVKDONJSA-N 1 2 228.292 -0.434 20 0 BBADLO CC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870078292 589644454 /nfs/dbraw/zinc/64/44/54/589644454.db2.gz WYKXDLVOPCSVEY-NSHDSACASA-N 1 2 228.292 -0.434 20 0 BBADLO O=C(/C=C/C[NH+]1CCOCC1)NC1COC1 ZINC000870871230 589693121 /nfs/dbraw/zinc/69/31/21/589693121.db2.gz MUQBTZPSSCYFNU-OWOJBTEDSA-N 1 2 226.276 -0.610 20 0 BBADLO O=C(/C=C\C[NH+]1CCOCC1)NC1COC1 ZINC000870871231 589693323 /nfs/dbraw/zinc/69/33/23/589693323.db2.gz MUQBTZPSSCYFNU-UPHRSURJSA-N 1 2 226.276 -0.610 20 0 BBADLO Cc1[nH]c(C(=O)NC[C@@H](O)[C@@H](C)O)c[nH+]1 ZINC000871127856 589731413 /nfs/dbraw/zinc/73/14/13/589731413.db2.gz ACELTSRDFCFPGS-SVGQVSJJSA-N 1 2 213.237 -0.810 20 0 BBADLO Cc1[nH]c(C(=O)NC[C@H](O)[C@H](C)O)c[nH+]1 ZINC000871127857 589731789 /nfs/dbraw/zinc/73/17/89/589731789.db2.gz ACELTSRDFCFPGS-XNCJUZBTSA-N 1 2 213.237 -0.810 20 0 BBADLO Cc1[nH]c(C(=O)NC[C@H](O)[C@@H](C)O)c[nH+]1 ZINC000871127858 589732021 /nfs/dbraw/zinc/73/20/21/589732021.db2.gz ACELTSRDFCFPGS-XRGYYRRGSA-N 1 2 213.237 -0.810 20 0 BBADLO Cc1[nH]c(C(=O)NC[C@@H](O)[C@H](C)O)c[nH+]1 ZINC000871127859 589731768 /nfs/dbraw/zinc/73/17/68/589731768.db2.gz ACELTSRDFCFPGS-YLWLKBPMSA-N 1 2 213.237 -0.810 20 0 BBADLO C[C@@H](O)[C@H](O)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000871129726 589732369 /nfs/dbraw/zinc/73/23/69/589732369.db2.gz OKTVAMLNIGVAAM-PSASIEDQSA-N 1 2 249.270 -0.194 20 0 BBADLO C[C@@H](O)[C@@H](O)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000871129727 589732744 /nfs/dbraw/zinc/73/27/44/589732744.db2.gz OKTVAMLNIGVAAM-SCZZXKLOSA-N 1 2 249.270 -0.194 20 0 BBADLO C[C@H](O)[C@H](O)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000871129728 589732503 /nfs/dbraw/zinc/73/25/03/589732503.db2.gz OKTVAMLNIGVAAM-WCBMZHEXSA-N 1 2 249.270 -0.194 20 0 BBADLO C[C@H](O)[C@@H](O)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000871129729 589732861 /nfs/dbraw/zinc/73/28/61/589732861.db2.gz OKTVAMLNIGVAAM-WPRPVWTQSA-N 1 2 249.270 -0.194 20 0 BBADLO C[C@@H](O)[C@H](O)CNC(=O)CCCn1cc[nH+]c1 ZINC000871130506 589732787 /nfs/dbraw/zinc/73/27/87/589732787.db2.gz YEZIOIOGKURXAS-NXEZZACHSA-N 1 2 241.291 -0.479 20 0 BBADLO C[C@H](O)[C@@H](O)CNC(=O)CCCn1cc[nH+]c1 ZINC000871130510 589732443 /nfs/dbraw/zinc/73/24/43/589732443.db2.gz YEZIOIOGKURXAS-UWVGGRQHSA-N 1 2 241.291 -0.479 20 0 BBADLO C[C@H](O)[C@H](O)CNC(=O)CCCn1cc[nH+]c1 ZINC000871130516 589732325 /nfs/dbraw/zinc/73/23/25/589732325.db2.gz YEZIOIOGKURXAS-VHSXEESVSA-N 1 2 241.291 -0.479 20 0 BBADLO C[C@@H](O)[C@@H](O)CNC(=O)CCCn1cc[nH+]c1 ZINC000871130520 636408567 /nfs/dbraw/zinc/40/85/67/636408567.db2.gz YEZIOIOGKURXAS-ZJUUUORDSA-N 1 2 241.291 -0.479 20 0 BBADLO C[C@@H](O)[C@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC000871131016 589732299 /nfs/dbraw/zinc/73/22/99/589732299.db2.gz BOSPXWCHAIVCMZ-PSASIEDQSA-N 1 2 249.270 -0.194 20 0 BBADLO C[C@@H](O)[C@@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC000871131017 589732853 /nfs/dbraw/zinc/73/28/53/589732853.db2.gz BOSPXWCHAIVCMZ-SCZZXKLOSA-N 1 2 249.270 -0.194 20 0 BBADLO C[C@H](O)[C@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC000871131018 589732847 /nfs/dbraw/zinc/73/28/47/589732847.db2.gz BOSPXWCHAIVCMZ-WCBMZHEXSA-N 1 2 249.270 -0.194 20 0 BBADLO C[C@H](O)[C@@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC000871131019 589732269 /nfs/dbraw/zinc/73/22/69/589732269.db2.gz BOSPXWCHAIVCMZ-WPRPVWTQSA-N 1 2 249.270 -0.194 20 0 BBADLO C[C@H](O)[C@@H](O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000871142219 589737975 /nfs/dbraw/zinc/73/79/75/589737975.db2.gz YNFCWURJPAUHPN-GUBZILKMSA-N 1 2 241.291 -0.308 20 0 BBADLO C[C@H](CC(=O)NC[C@@H](O)[C@H](C)O)n1cc[nH+]c1 ZINC000871142220 589738084 /nfs/dbraw/zinc/73/80/84/589738084.db2.gz YNFCWURJPAUHPN-KXUCPTDWSA-N 1 2 241.291 -0.308 20 0 BBADLO C[C@H](O)[C@H](O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000871142221 589738078 /nfs/dbraw/zinc/73/80/78/589738078.db2.gz YNFCWURJPAUHPN-LPEHRKFASA-N 1 2 241.291 -0.308 20 0 BBADLO C[C@H](CC(=O)NC[C@H](O)[C@H](C)O)n1cc[nH+]c1 ZINC000871142222 589737935 /nfs/dbraw/zinc/73/79/35/589737935.db2.gz YNFCWURJPAUHPN-UTLUCORTSA-N 1 2 241.291 -0.308 20 0 BBADLO COC(=O)C1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC000871548934 589767631 /nfs/dbraw/zinc/76/76/31/589767631.db2.gz JUYPVYSLFBWNKV-UHFFFAOYSA-N 1 2 237.259 -0.049 20 0 BBADLO CCONC(=O)CNC(=[NH2+])N(C)CCOC ZINC000871609926 589775932 /nfs/dbraw/zinc/77/59/32/589775932.db2.gz WLMUPCIEGJAETM-UHFFFAOYSA-N 1 2 232.284 -0.843 20 0 BBADLO CNC(=O)CO[NH+]=C(N)COC1CCC1 ZINC000871776118 589813884 /nfs/dbraw/zinc/81/38/84/589813884.db2.gz RUERCNXHHMGPNQ-UHFFFAOYSA-N 1 2 215.253 -0.200 20 0 BBADLO NC(COC1CCC1)=[NH+]O[C@@H]1CCNC1=O ZINC000871776250 589813787 /nfs/dbraw/zinc/81/37/87/589813787.db2.gz URTCRADCOBIPTI-MRVPVSSYSA-N 1 2 227.264 -0.058 20 0 BBADLO NC(COC1CCC1)=[NH+]O[C@H]1CCNC1=O ZINC000871776458 589813713 /nfs/dbraw/zinc/81/37/13/589813713.db2.gz URTCRADCOBIPTI-QMMMGPOBSA-N 1 2 227.264 -0.058 20 0 BBADLO NC(=O)CO[NH+]=C(N)COC1CCC1 ZINC000871777053 589813528 /nfs/dbraw/zinc/81/35/28/589813528.db2.gz YZFMESKUWWMMCE-UHFFFAOYSA-N 1 2 201.226 -0.461 20 0 BBADLO COCCOC1C[NH+](C[C@@H](O)CC(C)(C)O)C1 ZINC000871979630 589850822 /nfs/dbraw/zinc/85/08/22/589850822.db2.gz AGQQXLISEAQOIR-JTQLQIEISA-N 1 2 247.335 -0.145 20 0 BBADLO COCCOC1C[NH+](C[C@H](O)CC(C)(C)O)C1 ZINC000871979631 589850796 /nfs/dbraw/zinc/85/07/96/589850796.db2.gz AGQQXLISEAQOIR-SNVBAGLBSA-N 1 2 247.335 -0.145 20 0 BBADLO CC(C)OC[C@H](O)C[NH+]1CC2(C1)CNC(=O)O2 ZINC000871981025 589852205 /nfs/dbraw/zinc/85/22/05/589852205.db2.gz MPVMBZBZUVMRBX-SECBINFHSA-N 1 2 244.291 -0.434 20 0 BBADLO CC(C)OC[C@@H](O)C[NH+]1CC2(C1)CNC(=O)O2 ZINC000871981126 589852005 /nfs/dbraw/zinc/85/20/05/589852005.db2.gz MPVMBZBZUVMRBX-VIFPVBQESA-N 1 2 244.291 -0.434 20 0 BBADLO C[S@](=N)(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000872097892 589869216 /nfs/dbraw/zinc/86/92/16/589869216.db2.gz CORDSAIRHOVHKO-BJOHPYRUSA-N 1 2 233.337 -0.016 20 0 BBADLO C[S@@](=N)(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000872097893 589869588 /nfs/dbraw/zinc/86/95/88/589869588.db2.gz CORDSAIRHOVHKO-PSLIRLAXSA-N 1 2 233.337 -0.016 20 0 BBADLO C[S@](=N)(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000872097894 589869645 /nfs/dbraw/zinc/86/96/45/589869645.db2.gz CORDSAIRHOVHKO-RFAUZJTJSA-N 1 2 233.337 -0.016 20 0 BBADLO C[S@@](=N)(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000872097895 589869563 /nfs/dbraw/zinc/86/95/63/589869563.db2.gz CORDSAIRHOVHKO-VFZGTOFNSA-N 1 2 233.337 -0.016 20 0 BBADLO CC(C)(O)C[C@@H](O)C[NH2+]CC(F)(F)CO ZINC000872214500 589894870 /nfs/dbraw/zinc/89/48/70/589894870.db2.gz YSLAJFDXDUIYAA-SSDOTTSWSA-N 1 2 227.251 -0.275 20 0 BBADLO CC(C)(O)C[C@H](O)C[NH2+]CC(F)(F)CO ZINC000872214501 589894595 /nfs/dbraw/zinc/89/45/95/589894595.db2.gz YSLAJFDXDUIYAA-ZETCQYMHSA-N 1 2 227.251 -0.275 20 0 BBADLO CN1CCN(C(=O)CC(N)=O)Cc2ccc[nH+]c21 ZINC000872303479 589907951 /nfs/dbraw/zinc/90/79/51/589907951.db2.gz HYCUSWPGUJDRSP-UHFFFAOYSA-N 1 2 248.286 -0.265 20 0 BBADLO CN1CCN(C(=O)CO)Cc2ccc[nH+]c21 ZINC000872307218 589908084 /nfs/dbraw/zinc/90/80/84/589908084.db2.gz NLQLBTBXOULAPS-UHFFFAOYSA-N 1 2 221.260 -0.148 20 0 BBADLO CN1CC[N@@H+](CC(N)=O)Cc2cccnc21 ZINC000872316988 589910683 /nfs/dbraw/zinc/91/06/83/589910683.db2.gz DQTUDMYGRCKRBQ-UHFFFAOYSA-N 1 2 220.276 -0.181 20 0 BBADLO CN1CC[N@H+](CC(N)=O)Cc2cccnc21 ZINC000872316988 589910681 /nfs/dbraw/zinc/91/06/81/589910681.db2.gz DQTUDMYGRCKRBQ-UHFFFAOYSA-N 1 2 220.276 -0.181 20 0 BBADLO O=C1CC2(COC2)CN1C[N@H+]1CCCOCC1 ZINC000872573439 589953464 /nfs/dbraw/zinc/95/34/64/589953464.db2.gz AXYOURVTVIBOGH-UHFFFAOYSA-N 1 2 240.303 -0.085 20 0 BBADLO O=C1CC2(COC2)CN1C[N@@H+]1CCCOCC1 ZINC000872573439 589953460 /nfs/dbraw/zinc/95/34/60/589953460.db2.gz AXYOURVTVIBOGH-UHFFFAOYSA-N 1 2 240.303 -0.085 20 0 BBADLO COC[C@@H]1CC[N@H+]1CN1CC2(COC2)CC1=O ZINC000872614395 589956930 /nfs/dbraw/zinc/95/69/30/589956930.db2.gz JRWONXSRLOLGOH-JTQLQIEISA-N 1 2 240.303 -0.087 20 0 BBADLO COC[C@@H]1CC[N@@H+]1CN1CC2(COC2)CC1=O ZINC000872614395 589956929 /nfs/dbraw/zinc/95/69/29/589956929.db2.gz JRWONXSRLOLGOH-JTQLQIEISA-N 1 2 240.303 -0.087 20 0 BBADLO COC[C@H]1CC[N@H+]1CN1CC2(COC2)CC1=O ZINC000872614398 589956970 /nfs/dbraw/zinc/95/69/70/589956970.db2.gz JRWONXSRLOLGOH-SNVBAGLBSA-N 1 2 240.303 -0.087 20 0 BBADLO COC[C@H]1CC[N@@H+]1CN1CC2(COC2)CC1=O ZINC000872614398 589956967 /nfs/dbraw/zinc/95/69/67/589956967.db2.gz JRWONXSRLOLGOH-SNVBAGLBSA-N 1 2 240.303 -0.087 20 0 BBADLO Cc1nc(N(C)CCS(N)(=O)=O)cc[nH+]1 ZINC000872760735 589967078 /nfs/dbraw/zinc/96/70/78/589967078.db2.gz XQOMVNHJWNDSOU-UHFFFAOYSA-N 1 2 230.293 -0.490 20 0 BBADLO COc1ccc[nH+]c1N(C)CCS(N)(=O)=O ZINC000872761618 589967172 /nfs/dbraw/zinc/96/71/72/589967172.db2.gz KIFQUDQKZDPHQD-UHFFFAOYSA-N 1 2 245.304 -0.185 20 0 BBADLO CCc1cc(N(C)CCS(N)(=O)=O)nc[nH+]1 ZINC000872762431 589967195 /nfs/dbraw/zinc/96/71/95/589967195.db2.gz ZGDVZYQQJARPSU-UHFFFAOYSA-N 1 2 244.320 -0.236 20 0 BBADLO Cc1cc(N(C)CCS(N)(=O)=O)nc[nH+]1 ZINC000872762440 589966785 /nfs/dbraw/zinc/96/67/85/589966785.db2.gz ZKUJBOVNQWTDHO-UHFFFAOYSA-N 1 2 230.293 -0.490 20 0 BBADLO CN(CCS(N)(=O)=O)c1cccc[nH+]1 ZINC000872762485 589967228 /nfs/dbraw/zinc/96/72/28/589967228.db2.gz BOHFPPMPLNCZJU-UHFFFAOYSA-N 1 2 215.278 -0.194 20 0 BBADLO Cn1cnn(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1=O ZINC000872785747 589970391 /nfs/dbraw/zinc/97/03/91/589970391.db2.gz IIZSAJRCAOUOEP-DTORHVGOSA-N 1 2 224.264 -0.883 20 0 BBADLO Cn1cnn(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1=O ZINC000872785747 589970388 /nfs/dbraw/zinc/97/03/88/589970388.db2.gz IIZSAJRCAOUOEP-DTORHVGOSA-N 1 2 224.264 -0.883 20 0 BBADLO Cc1nn(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c(=O)o1 ZINC000872786140 589970676 /nfs/dbraw/zinc/97/06/76/589970676.db2.gz SGLMOSZEYJXHRG-DTORHVGOSA-N 1 2 225.248 -0.320 20 0 BBADLO Cc1nn(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c(=O)o1 ZINC000872786140 589970675 /nfs/dbraw/zinc/97/06/75/589970675.db2.gz SGLMOSZEYJXHRG-DTORHVGOSA-N 1 2 225.248 -0.320 20 0 BBADLO Cc1nn(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c(=O)n1C ZINC000872786742 589970446 /nfs/dbraw/zinc/97/04/46/589970446.db2.gz QVUFSBBTKUPUNM-AOOOYVTPSA-N 1 2 238.291 -0.574 20 0 BBADLO Cc1nn(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c(=O)n1C ZINC000872786742 589970443 /nfs/dbraw/zinc/97/04/43/589970443.db2.gz QVUFSBBTKUPUNM-AOOOYVTPSA-N 1 2 238.291 -0.574 20 0 BBADLO CCNS(=O)(=O)CC[NH2+]Cc1ccon1 ZINC000873048142 589981423 /nfs/dbraw/zinc/98/14/23/589981423.db2.gz QJROHXJQEHBSMP-UHFFFAOYSA-N 1 2 233.293 -0.297 20 0 BBADLO Nc1cnc(C[N@H+]2CCN3CCOC[C@H]3C2)cn1 ZINC000873208880 589995181 /nfs/dbraw/zinc/99/51/81/589995181.db2.gz WXMBWUSKMYQWDO-LLVKDONJSA-N 1 2 249.318 -0.425 20 0 BBADLO Nc1cnc(C[N@@H+]2CCN3CCOC[C@H]3C2)cn1 ZINC000873208880 589995179 /nfs/dbraw/zinc/99/51/79/589995179.db2.gz WXMBWUSKMYQWDO-LLVKDONJSA-N 1 2 249.318 -0.425 20 0 BBADLO Nc1cnc(C[N@H+]2CCN3CCOC[C@@H]3C2)cn1 ZINC000873208881 589995366 /nfs/dbraw/zinc/99/53/66/589995366.db2.gz WXMBWUSKMYQWDO-NSHDSACASA-N 1 2 249.318 -0.425 20 0 BBADLO Nc1cnc(C[N@@H+]2CCN3CCOC[C@@H]3C2)cn1 ZINC000873208881 589995361 /nfs/dbraw/zinc/99/53/61/589995361.db2.gz WXMBWUSKMYQWDO-NSHDSACASA-N 1 2 249.318 -0.425 20 0 BBADLO CC[N@@H+](Cc1cnc(N)cn1)[C@@H]1CCNC1=O ZINC000873211258 589996215 /nfs/dbraw/zinc/99/62/15/589996215.db2.gz XEUAACSPDKIQKL-SECBINFHSA-N 1 2 235.291 -0.231 20 0 BBADLO CC[N@H+](Cc1cnc(N)cn1)[C@@H]1CCNC1=O ZINC000873211258 589996212 /nfs/dbraw/zinc/99/62/12/589996212.db2.gz XEUAACSPDKIQKL-SECBINFHSA-N 1 2 235.291 -0.231 20 0 BBADLO CC[N@@H+](Cc1cnc(N)cn1)[C@H]1CCNC1=O ZINC000873211259 589996601 /nfs/dbraw/zinc/99/66/01/589996601.db2.gz XEUAACSPDKIQKL-VIFPVBQESA-N 1 2 235.291 -0.231 20 0 BBADLO CC[N@H+](Cc1cnc(N)cn1)[C@H]1CCNC1=O ZINC000873211259 589996600 /nfs/dbraw/zinc/99/66/00/589996600.db2.gz XEUAACSPDKIQKL-VIFPVBQESA-N 1 2 235.291 -0.231 20 0 BBADLO Nc1cnc(C[N@H+]2CC[C@@](F)(CO)C2)cn1 ZINC000873211347 589996076 /nfs/dbraw/zinc/99/60/76/589996076.db2.gz ZGAXYWIZELRQBT-JTQLQIEISA-N 1 2 226.255 -0.035 20 0 BBADLO Nc1cnc(C[N@@H+]2CC[C@@](F)(CO)C2)cn1 ZINC000873211347 589996075 /nfs/dbraw/zinc/99/60/75/589996075.db2.gz ZGAXYWIZELRQBT-JTQLQIEISA-N 1 2 226.255 -0.035 20 0 BBADLO Nc1cnc(C[N@H+]2CC[C@](F)(CO)C2)cn1 ZINC000873211348 589996598 /nfs/dbraw/zinc/99/65/98/589996598.db2.gz ZGAXYWIZELRQBT-SNVBAGLBSA-N 1 2 226.255 -0.035 20 0 BBADLO Nc1cnc(C[N@@H+]2CC[C@](F)(CO)C2)cn1 ZINC000873211348 589996597 /nfs/dbraw/zinc/99/65/97/589996597.db2.gz ZGAXYWIZELRQBT-SNVBAGLBSA-N 1 2 226.255 -0.035 20 0 BBADLO C[NH+]1CCN(C(=O)[C@]2(C)CCC(=O)N2)CC1 ZINC000873721140 590068334 /nfs/dbraw/zinc/06/83/34/590068334.db2.gz HFBLQGATPNJINF-NSHDSACASA-N 1 2 225.292 -0.571 20 0 BBADLO O=C(CN1CCOC1=O)NCCn1cc[nH+]c1 ZINC000874010613 590084390 /nfs/dbraw/zinc/08/43/90/590084390.db2.gz NUECWLYEFVLFPO-UHFFFAOYSA-N 1 2 238.247 -0.549 20 0 BBADLO CS(=O)(=O)CCCNC(=O)C[NH+]1CCCC1 ZINC000874124344 590092752 /nfs/dbraw/zinc/09/27/52/590092752.db2.gz FTPFCLNZBSTTHT-UHFFFAOYSA-N 1 2 248.348 -0.367 20 0 BBADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C(N)=O ZINC000874159734 590094421 /nfs/dbraw/zinc/09/44/21/590094421.db2.gz YWIDCPULZCIMPL-MRVPVSSYSA-N 1 2 238.291 -0.101 20 0 BBADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C(N)=O ZINC000874159740 590094650 /nfs/dbraw/zinc/09/46/50/590094650.db2.gz YWIDCPULZCIMPL-QMMMGPOBSA-N 1 2 238.291 -0.101 20 0 BBADLO COc1c(C)c[nH+]c(CNC(=O)C(N)=O)c1C ZINC000874256434 590099672 /nfs/dbraw/zinc/09/96/72/590099672.db2.gz JFOHHLCIZGHWNG-UHFFFAOYSA-N 1 2 237.259 -0.191 20 0 BBADLO COC(OC)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000874266230 590101467 /nfs/dbraw/zinc/10/14/67/590101467.db2.gz HBXAYHHWKQSTOE-SECBINFHSA-N 1 2 246.307 -0.558 20 0 BBADLO COC(OC)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000874266230 590101465 /nfs/dbraw/zinc/10/14/65/590101465.db2.gz HBXAYHHWKQSTOE-SECBINFHSA-N 1 2 246.307 -0.558 20 0 BBADLO COC(OC)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000874266231 590101384 /nfs/dbraw/zinc/10/13/84/590101384.db2.gz HBXAYHHWKQSTOE-VIFPVBQESA-N 1 2 246.307 -0.558 20 0 BBADLO COC(OC)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000874266231 590101383 /nfs/dbraw/zinc/10/13/83/590101383.db2.gz HBXAYHHWKQSTOE-VIFPVBQESA-N 1 2 246.307 -0.558 20 0 BBADLO COC(OC)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000874298307 590103257 /nfs/dbraw/zinc/10/32/57/590103257.db2.gz RIHCKRDJNYKUAW-UHFFFAOYSA-N 1 2 246.307 -0.604 20 0 BBADLO O=C(C[NH+]1CCCC1)N1CCS(=O)(=O)CC1 ZINC000874320758 590103448 /nfs/dbraw/zinc/10/34/48/590103448.db2.gz OZDFRFRFUCFLNL-UHFFFAOYSA-N 1 2 246.332 -0.661 20 0 BBADLO CCS(=O)(=O)CCNC(=O)C[NH+]1CCCC1 ZINC000874325755 590103468 /nfs/dbraw/zinc/10/34/68/590103468.db2.gz CDEGBBSODUNPLF-UHFFFAOYSA-N 1 2 248.348 -0.367 20 0 BBADLO CCS(=O)(=O)CCNC(=O)[C@@H](C)[NH+](C)C ZINC000874325777 590103847 /nfs/dbraw/zinc/10/38/47/590103847.db2.gz COLSZJNRPKPXMS-MRVPVSSYSA-N 1 2 236.337 -0.513 20 0 BBADLO C[C@H](C(=O)N(C)CCS(C)(=O)=O)[NH+](C)C ZINC000874330016 590105049 /nfs/dbraw/zinc/10/50/49/590105049.db2.gz FMHYWKAVROBEGZ-MRVPVSSYSA-N 1 2 236.337 -0.561 20 0 BBADLO CN(CCS(C)(=O)=O)C(=O)C[NH+]1CCCC1 ZINC000874331025 590104790 /nfs/dbraw/zinc/10/47/90/590104790.db2.gz XOMUDCVCBDWFHW-UHFFFAOYSA-N 1 2 248.348 -0.415 20 0 BBADLO O=C(C[NH+]1CCCC1)N1CCS(=O)CC1 ZINC000874373212 590106425 /nfs/dbraw/zinc/10/64/25/590106425.db2.gz LKPMMSRHVIXKOB-UHFFFAOYSA-N 1 2 230.333 -0.327 20 0 BBADLO COC(OC)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000874377952 590106476 /nfs/dbraw/zinc/10/64/76/590106476.db2.gz WFBORNCUEBRGBO-SECBINFHSA-N 1 2 246.307 -0.558 20 0 BBADLO COC(OC)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000874377952 590106474 /nfs/dbraw/zinc/10/64/74/590106474.db2.gz WFBORNCUEBRGBO-SECBINFHSA-N 1 2 246.307 -0.558 20 0 BBADLO COC(OC)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000874377953 590106611 /nfs/dbraw/zinc/10/66/11/590106611.db2.gz WFBORNCUEBRGBO-VIFPVBQESA-N 1 2 246.307 -0.558 20 0 BBADLO COC(OC)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000874377953 590106610 /nfs/dbraw/zinc/10/66/10/590106610.db2.gz WFBORNCUEBRGBO-VIFPVBQESA-N 1 2 246.307 -0.558 20 0 BBADLO Cc1n[nH]c(CCNC(=O)C[NH+]2CCCC2)n1 ZINC000874438822 590110099 /nfs/dbraw/zinc/11/00/99/590110099.db2.gz ORRAJZKRFIZUEZ-UHFFFAOYSA-N 1 2 237.307 -0.132 20 0 BBADLO C[S@](=O)CCNC(=O)C[NH+]1CCCC1 ZINC000874439274 590109992 /nfs/dbraw/zinc/10/99/92/590109992.db2.gz WACNGUMKGZTLLZ-AWEZNQCLSA-N 1 2 218.322 -0.423 20 0 BBADLO C[S@@](=O)CCNC(=O)C[NH+]1CCCC1 ZINC000874439275 590110413 /nfs/dbraw/zinc/11/04/13/590110413.db2.gz WACNGUMKGZTLLZ-CQSZACIVSA-N 1 2 218.322 -0.423 20 0 BBADLO CN(Cc1[nH]cc[nH+]1)C(=O)CN1CCOC1=O ZINC000874445295 590111277 /nfs/dbraw/zinc/11/12/77/590111277.db2.gz ZHJKTRNAJFZJIX-UHFFFAOYSA-N 1 2 238.247 -0.180 20 0 BBADLO CC[S@](=O)CCNC(=O)C[NH+]1CCCC1 ZINC000874453012 590111909 /nfs/dbraw/zinc/11/19/09/590111909.db2.gz QBPAEZDURLHUNG-HNNXBMFYSA-N 1 2 232.349 -0.033 20 0 BBADLO CC[S@@](=O)CCNC(=O)C[NH+]1CCCC1 ZINC000874453013 590111692 /nfs/dbraw/zinc/11/16/92/590111692.db2.gz QBPAEZDURLHUNG-OAHLLOKOSA-N 1 2 232.349 -0.033 20 0 BBADLO COCC[NH+]1CCN(C(=O)C(OC)OC)CC1 ZINC000874466153 590113601 /nfs/dbraw/zinc/11/36/01/590113601.db2.gz FSOJGSRYSPHJAK-UHFFFAOYSA-N 1 2 246.307 -0.604 20 0 BBADLO CC[C@H]1COCC[N@H+]1CCNC(=O)COC ZINC000874698662 590124378 /nfs/dbraw/zinc/12/43/78/590124378.db2.gz JQGYDYYIJDERAP-JTQLQIEISA-N 1 2 230.308 -0.140 20 0 BBADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)COC ZINC000874698662 590124376 /nfs/dbraw/zinc/12/43/76/590124376.db2.gz JQGYDYYIJDERAP-JTQLQIEISA-N 1 2 230.308 -0.140 20 0 BBADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)COC ZINC000874698663 590124201 /nfs/dbraw/zinc/12/42/01/590124201.db2.gz JQGYDYYIJDERAP-SNVBAGLBSA-N 1 2 230.308 -0.140 20 0 BBADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)COC ZINC000874698663 590124199 /nfs/dbraw/zinc/12/41/99/590124199.db2.gz JQGYDYYIJDERAP-SNVBAGLBSA-N 1 2 230.308 -0.140 20 0 BBADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](C)O ZINC000874705177 590124254 /nfs/dbraw/zinc/12/42/54/590124254.db2.gz AMNMSAONMFGIOY-NXEZZACHSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](C)O ZINC000874705177 590124252 /nfs/dbraw/zinc/12/42/52/590124252.db2.gz AMNMSAONMFGIOY-NXEZZACHSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H](C)O ZINC000874705184 590124608 /nfs/dbraw/zinc/12/46/08/590124608.db2.gz AMNMSAONMFGIOY-UWVGGRQHSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](C)O ZINC000874705184 590124606 /nfs/dbraw/zinc/12/46/06/590124606.db2.gz AMNMSAONMFGIOY-UWVGGRQHSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](C)O ZINC000874705185 590124454 /nfs/dbraw/zinc/12/44/54/590124454.db2.gz AMNMSAONMFGIOY-VHSXEESVSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](C)O ZINC000874705185 590124453 /nfs/dbraw/zinc/12/44/53/590124453.db2.gz AMNMSAONMFGIOY-VHSXEESVSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H](C)O ZINC000874705186 590124229 /nfs/dbraw/zinc/12/42/29/590124229.db2.gz AMNMSAONMFGIOY-ZJUUUORDSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H](C)O ZINC000874705186 590124227 /nfs/dbraw/zinc/12/42/27/590124227.db2.gz AMNMSAONMFGIOY-ZJUUUORDSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@H]1COCC[N@H+]1CCNC(=O)C(C)(C)O ZINC000874706158 590125255 /nfs/dbraw/zinc/12/52/55/590125255.db2.gz MBVYNXWOCKEIRH-JTQLQIEISA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)O ZINC000874706158 590125253 /nfs/dbraw/zinc/12/52/53/590125253.db2.gz MBVYNXWOCKEIRH-JTQLQIEISA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C(C)(C)O ZINC000874706159 590124809 /nfs/dbraw/zinc/12/48/09/590124809.db2.gz MBVYNXWOCKEIRH-SNVBAGLBSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)O ZINC000874706159 590124808 /nfs/dbraw/zinc/12/48/08/590124808.db2.gz MBVYNXWOCKEIRH-SNVBAGLBSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)CO ZINC000874707275 590125071 /nfs/dbraw/zinc/12/50/71/590125071.db2.gz IQUNKTGKSOIYLS-SECBINFHSA-N 1 2 216.281 -0.794 20 0 BBADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)CO ZINC000874707275 590125070 /nfs/dbraw/zinc/12/50/70/590125070.db2.gz IQUNKTGKSOIYLS-SECBINFHSA-N 1 2 216.281 -0.794 20 0 BBADLO CC[C@H]1COCC[N@H+]1CCNC(=O)CO ZINC000874707276 590124978 /nfs/dbraw/zinc/12/49/78/590124978.db2.gz IQUNKTGKSOIYLS-VIFPVBQESA-N 1 2 216.281 -0.794 20 0 BBADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)CO ZINC000874707276 590124975 /nfs/dbraw/zinc/12/49/75/590124975.db2.gz IQUNKTGKSOIYLS-VIFPVBQESA-N 1 2 216.281 -0.794 20 0 BBADLO COCCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000874977996 590158659 /nfs/dbraw/zinc/15/86/59/590158659.db2.gz KCWALLTXUCDLQK-MRVPVSSYSA-N 1 2 224.264 -0.247 20 0 BBADLO COCCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000874977997 590157704 /nfs/dbraw/zinc/15/77/04/590157704.db2.gz KCWALLTXUCDLQK-QMMMGPOBSA-N 1 2 224.264 -0.247 20 0 BBADLO COCCONC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000875544607 590165486 /nfs/dbraw/zinc/16/54/86/590165486.db2.gz XVHOTOKBBGTQHN-MRVPVSSYSA-N 1 2 240.263 -0.315 20 0 BBADLO COCCONC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000875544608 590165478 /nfs/dbraw/zinc/16/54/78/590165478.db2.gz XVHOTOKBBGTQHN-QMMMGPOBSA-N 1 2 240.263 -0.315 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NOCC1CC1 ZINC000875619334 590166835 /nfs/dbraw/zinc/16/68/35/590166835.db2.gz MABFVQPZVKPUPV-JTQLQIEISA-N 1 2 243.307 -0.042 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NOCC1CC1 ZINC000875619334 590166834 /nfs/dbraw/zinc/16/68/34/590166834.db2.gz MABFVQPZVKPUPV-JTQLQIEISA-N 1 2 243.307 -0.042 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)NOCC1CC1 ZINC000875619335 590166829 /nfs/dbraw/zinc/16/68/29/590166829.db2.gz MABFVQPZVKPUPV-SNVBAGLBSA-N 1 2 243.307 -0.042 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NOCC1CC1 ZINC000875619335 590166828 /nfs/dbraw/zinc/16/68/28/590166828.db2.gz MABFVQPZVKPUPV-SNVBAGLBSA-N 1 2 243.307 -0.042 20 0 BBADLO CCCONC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000875691123 590168411 /nfs/dbraw/zinc/16/84/11/590168411.db2.gz VKNCTPDEAREAJI-SECBINFHSA-N 1 2 231.296 -0.042 20 0 BBADLO CCCONC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000875691123 590168410 /nfs/dbraw/zinc/16/84/10/590168410.db2.gz VKNCTPDEAREAJI-SECBINFHSA-N 1 2 231.296 -0.042 20 0 BBADLO CCCONC(=O)NC[C@H]1COCC[N@H+]1C ZINC000875691125 590168466 /nfs/dbraw/zinc/16/84/66/590168466.db2.gz VKNCTPDEAREAJI-VIFPVBQESA-N 1 2 231.296 -0.042 20 0 BBADLO CCCONC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000875691125 590168465 /nfs/dbraw/zinc/16/84/65/590168465.db2.gz VKNCTPDEAREAJI-VIFPVBQESA-N 1 2 231.296 -0.042 20 0 BBADLO CON(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000875863774 590174374 /nfs/dbraw/zinc/17/43/74/590174374.db2.gz KEPGPHCBDMXFLT-MRVPVSSYSA-N 1 2 217.269 -0.480 20 0 BBADLO CON(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000875863774 590174372 /nfs/dbraw/zinc/17/43/72/590174372.db2.gz KEPGPHCBDMXFLT-MRVPVSSYSA-N 1 2 217.269 -0.480 20 0 BBADLO CON(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000875863775 590174299 /nfs/dbraw/zinc/17/42/99/590174299.db2.gz KEPGPHCBDMXFLT-QMMMGPOBSA-N 1 2 217.269 -0.480 20 0 BBADLO CON(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000875863775 590174298 /nfs/dbraw/zinc/17/42/98/590174298.db2.gz KEPGPHCBDMXFLT-QMMMGPOBSA-N 1 2 217.269 -0.480 20 0 BBADLO CN(CCF)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000875864253 590174589 /nfs/dbraw/zinc/17/45/89/590174589.db2.gz PRAVLZKQDACBLI-SECBINFHSA-N 1 2 233.287 -0.072 20 0 BBADLO CN(CCF)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000875864253 590174588 /nfs/dbraw/zinc/17/45/88/590174588.db2.gz PRAVLZKQDACBLI-SECBINFHSA-N 1 2 233.287 -0.072 20 0 BBADLO CN(CCF)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000875864256 590174272 /nfs/dbraw/zinc/17/42/72/590174272.db2.gz PRAVLZKQDACBLI-VIFPVBQESA-N 1 2 233.287 -0.072 20 0 BBADLO CN(CCF)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000875864256 590174271 /nfs/dbraw/zinc/17/42/71/590174271.db2.gz PRAVLZKQDACBLI-VIFPVBQESA-N 1 2 233.287 -0.072 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCCO1 ZINC000875864342 590174433 /nfs/dbraw/zinc/17/44/33/590174433.db2.gz QWHKDYPZLUSLHG-SECBINFHSA-N 1 2 229.280 -0.336 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCCO1 ZINC000875864342 590174431 /nfs/dbraw/zinc/17/44/31/590174431.db2.gz QWHKDYPZLUSLHG-SECBINFHSA-N 1 2 229.280 -0.336 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCCO1 ZINC000875864344 590174228 /nfs/dbraw/zinc/17/42/28/590174228.db2.gz QWHKDYPZLUSLHG-VIFPVBQESA-N 1 2 229.280 -0.336 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCCO1 ZINC000875864344 590174227 /nfs/dbraw/zinc/17/42/27/590174227.db2.gz QWHKDYPZLUSLHG-VIFPVBQESA-N 1 2 229.280 -0.336 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[C@H]1O ZINC000875864401 590174185 /nfs/dbraw/zinc/17/41/85/590174185.db2.gz RQTAVOWYEHGIBE-IVZWLZJFSA-N 1 2 243.307 -0.861 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[C@H]1O ZINC000875864401 590174184 /nfs/dbraw/zinc/17/41/84/590174184.db2.gz RQTAVOWYEHGIBE-IVZWLZJFSA-N 1 2 243.307 -0.861 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CC[C@H]1O ZINC000875864403 590174478 /nfs/dbraw/zinc/17/44/78/590174478.db2.gz RQTAVOWYEHGIBE-OPRDCNLKSA-N 1 2 243.307 -0.861 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CC[C@H]1O ZINC000875864403 590174476 /nfs/dbraw/zinc/17/44/76/590174476.db2.gz RQTAVOWYEHGIBE-OPRDCNLKSA-N 1 2 243.307 -0.861 20 0 BBADLO CCON(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000875865926 590174455 /nfs/dbraw/zinc/17/44/55/590174455.db2.gz UERQVORUZLIFTN-SECBINFHSA-N 1 2 231.296 -0.090 20 0 BBADLO CCON(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000875865926 590174453 /nfs/dbraw/zinc/17/44/53/590174453.db2.gz UERQVORUZLIFTN-SECBINFHSA-N 1 2 231.296 -0.090 20 0 BBADLO CCON(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000875865927 590174287 /nfs/dbraw/zinc/17/42/87/590174287.db2.gz UERQVORUZLIFTN-VIFPVBQESA-N 1 2 231.296 -0.090 20 0 BBADLO CCON(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000875865927 590174286 /nfs/dbraw/zinc/17/42/86/590174286.db2.gz UERQVORUZLIFTN-VIFPVBQESA-N 1 2 231.296 -0.090 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)N[C@H]1C[C@@H](O)C1 ZINC000876305802 590194442 /nfs/dbraw/zinc/19/44/42/590194442.db2.gz SNUIIIGBNFHACF-OTSSQURYSA-N 1 2 224.264 -0.257 20 0 BBADLO Cn1ncc2cc(C[N@@H+](C)CC(N)=O)cnc21 ZINC000876566848 590216931 /nfs/dbraw/zinc/21/69/31/590216931.db2.gz VHHQEOKIVXVIJL-UHFFFAOYSA-N 1 2 233.275 -0.115 20 0 BBADLO Cn1ncc2cc(C[N@H+](C)CC(N)=O)cnc21 ZINC000876566848 590216930 /nfs/dbraw/zinc/21/69/30/590216930.db2.gz VHHQEOKIVXVIJL-UHFFFAOYSA-N 1 2 233.275 -0.115 20 0 BBADLO Cn1ccsc1=NC(=O)[C@@H](N)C[NH+](C)C ZINC000876705909 590232050 /nfs/dbraw/zinc/23/20/50/590232050.db2.gz DJZCAJTYOWFOSB-ZETCQYMHSA-N 1 2 228.321 -0.597 20 0 BBADLO O=C(CN1CC[NH2+]CC1)NO[C@@H]1CCCCO1 ZINC000876706146 590232063 /nfs/dbraw/zinc/23/20/63/590232063.db2.gz IKKSWDPIXQGEDH-LLVKDONJSA-N 1 2 243.307 -0.534 20 0 BBADLO O=C(CN1CC[NH2+]CC1)NO[C@H]1CCCCO1 ZINC000876706147 590232039 /nfs/dbraw/zinc/23/20/39/590232039.db2.gz IKKSWDPIXQGEDH-NSHDSACASA-N 1 2 243.307 -0.534 20 0 BBADLO CCCn1cc(C[N@@H+](CCO)CCCO)nn1 ZINC000876724071 590233648 /nfs/dbraw/zinc/23/36/48/590233648.db2.gz NANNSEFODNIKEB-UHFFFAOYSA-N 1 2 242.323 -0.135 20 0 BBADLO CCCn1cc(C[N@H+](CCO)CCCO)nn1 ZINC000876724071 590233646 /nfs/dbraw/zinc/23/36/46/590233646.db2.gz NANNSEFODNIKEB-UHFFFAOYSA-N 1 2 242.323 -0.135 20 0 BBADLO COc1cnc(F)c(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000876749859 590237000 /nfs/dbraw/zinc/23/70/00/590237000.db2.gz NEDLJUZWSHFLKQ-AOOOYVTPSA-N 1 2 242.250 -0.233 20 0 BBADLO COc1cnc(F)c(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000876749859 590236998 /nfs/dbraw/zinc/23/69/98/590236998.db2.gz NEDLJUZWSHFLKQ-AOOOYVTPSA-N 1 2 242.250 -0.233 20 0 BBADLO CCCn1cc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)nn1 ZINC000876750357 590238243 /nfs/dbraw/zinc/23/82/43/590238243.db2.gz QKVJBAUEERTCBI-AOOOYVTPSA-N 1 2 226.280 -0.775 20 0 BBADLO CCCn1cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)nn1 ZINC000876750357 590238241 /nfs/dbraw/zinc/23/82/41/590238241.db2.gz QKVJBAUEERTCBI-AOOOYVTPSA-N 1 2 226.280 -0.775 20 0 BBADLO O=C(Cc1ncn[nH]1)N1CC[NH2+]C[C@H]1C(F)F ZINC000876852959 590249615 /nfs/dbraw/zinc/24/96/15/590249615.db2.gz IZJISEWPMOVCIQ-LURJTMIESA-N 1 2 245.233 -0.587 20 0 BBADLO O=C(Cc1ncn[nH]1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000876852960 584887390 /nfs/dbraw/zinc/88/73/90/584887390.db2.gz IZJISEWPMOVCIQ-ZCFIWIBFSA-N 1 2 245.233 -0.587 20 0 BBADLO COC(=O)N1CC([NH2+]Cc2ncnn2C)C1 ZINC000877098414 590282575 /nfs/dbraw/zinc/28/25/75/590282575.db2.gz PDUASPRPTMHGBT-UHFFFAOYSA-N 1 2 225.252 -0.645 20 0 BBADLO CCn1ncnc1C[NH2+]C1CN(C(=O)OC)C1 ZINC000877098956 590282525 /nfs/dbraw/zinc/28/25/25/590282525.db2.gz ZKLJYGVKKOENHC-UHFFFAOYSA-N 1 2 239.279 -0.162 20 0 BBADLO Cn1ncnc1C[NH2+]CC1(C)OCCO1 ZINC000877117938 590288486 /nfs/dbraw/zinc/28/84/86/590288486.db2.gz DXGLZDXOAUWTEN-UHFFFAOYSA-N 1 2 212.253 -0.332 20 0 BBADLO CCCn1cc(C[N@H+]2C[C@H](O)C[C@H]2CO)nn1 ZINC000877416387 590324783 /nfs/dbraw/zinc/32/47/83/590324783.db2.gz MCCIVDKERHVPDJ-WDEREUQCSA-N 1 2 240.307 -0.384 20 0 BBADLO CCCn1cc(C[N@@H+]2C[C@H](O)C[C@H]2CO)nn1 ZINC000877416387 590324781 /nfs/dbraw/zinc/32/47/81/590324781.db2.gz MCCIVDKERHVPDJ-WDEREUQCSA-N 1 2 240.307 -0.384 20 0 BBADLO CCCn1cc(C[N@H+]2C[C@@H](O)C[C@H]2CO)nn1 ZINC000877420078 590325251 /nfs/dbraw/zinc/32/52/51/590325251.db2.gz MCCIVDKERHVPDJ-QWRGUYRKSA-N 1 2 240.307 -0.384 20 0 BBADLO CCCn1cc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)nn1 ZINC000877420078 590325248 /nfs/dbraw/zinc/32/52/48/590325248.db2.gz MCCIVDKERHVPDJ-QWRGUYRKSA-N 1 2 240.307 -0.384 20 0 BBADLO CCCn1cc(C[N@@H+](C)CCC(N)=O)nn1 ZINC000877520611 590345290 /nfs/dbraw/zinc/34/52/90/590345290.db2.gz CIZXGVAVFUNNDY-UHFFFAOYSA-N 1 2 225.296 -0.005 20 0 BBADLO CCCn1cc(C[N@H+](C)CCC(N)=O)nn1 ZINC000877520611 590345288 /nfs/dbraw/zinc/34/52/88/590345288.db2.gz CIZXGVAVFUNNDY-UHFFFAOYSA-N 1 2 225.296 -0.005 20 0 BBADLO CCCn1cc(C[N@H+]2C[C@@H](O)[C@H](OC)C2)nn1 ZINC000877570537 590361498 /nfs/dbraw/zinc/36/14/98/590361498.db2.gz OHCZXEAOYRLEAQ-GHMZBOCLSA-N 1 2 240.307 -0.120 20 0 BBADLO CCCn1cc(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)nn1 ZINC000877570537 590361495 /nfs/dbraw/zinc/36/14/95/590361495.db2.gz OHCZXEAOYRLEAQ-GHMZBOCLSA-N 1 2 240.307 -0.120 20 0 BBADLO CO[C@]1(C[NH+]2CC3(C2)CNC(=O)O3)CCOC1 ZINC000877597026 590370141 /nfs/dbraw/zinc/37/01/41/590370141.db2.gz XUWPSDCONFXOSD-JTQLQIEISA-N 1 2 242.275 -0.414 20 0 BBADLO CO[C@@]1(C[NH+]2CC3(C2)CNC(=O)O3)CCOC1 ZINC000877597027 590369843 /nfs/dbraw/zinc/36/98/43/590369843.db2.gz XUWPSDCONFXOSD-SNVBAGLBSA-N 1 2 242.275 -0.414 20 0 BBADLO CCCn1cc(C[NH+]2CC(C)(C(N)=O)C2)nn1 ZINC000877603597 590371711 /nfs/dbraw/zinc/37/17/11/590371711.db2.gz QPYOOODBYMFSHT-UHFFFAOYSA-N 1 2 237.307 -0.005 20 0 BBADLO CCN(OC)C(=O)C[NH2+]Cc1ncnn1C ZINC000877606735 590371918 /nfs/dbraw/zinc/37/19/18/590371918.db2.gz JLXUHHWXTFGTKT-UHFFFAOYSA-N 1 2 227.268 -0.685 20 0 BBADLO CCON(C)C(=O)C[NH2+]Cc1ncnn1C ZINC000877612305 590373065 /nfs/dbraw/zinc/37/30/65/590373065.db2.gz NKGQVPJZXIINDD-UHFFFAOYSA-N 1 2 227.268 -0.685 20 0 BBADLO CCON(C)C(=O)C[NH2+]Cc1ncnn1CC ZINC000877612422 590372654 /nfs/dbraw/zinc/37/26/54/590372654.db2.gz PVIIDJAUVGFBHP-UHFFFAOYSA-N 1 2 241.295 -0.203 20 0 BBADLO CCONC(=O)C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000877613224 590373504 /nfs/dbraw/zinc/37/35/04/590373504.db2.gz BGBIEFJFUOEBBG-MRVPVSSYSA-N 1 2 229.280 -0.688 20 0 BBADLO CCONC(=O)C[NH2+][C@H]1CCCNC(=O)C1 ZINC000877613225 590373211 /nfs/dbraw/zinc/37/32/11/590373211.db2.gz BGBIEFJFUOEBBG-QMMMGPOBSA-N 1 2 229.280 -0.688 20 0 BBADLO CCCn1cc(C[NH+](CCO)CCO)nn1 ZINC000877649297 590384056 /nfs/dbraw/zinc/38/40/56/590384056.db2.gz SWHBPZKOEWJELF-UHFFFAOYSA-N 1 2 228.296 -0.525 20 0 BBADLO CCON(CC)C(=O)C[NH2+]Cc1ncnn1C ZINC000877650927 583341822 /nfs/dbraw/zinc/34/18/22/583341822.db2.gz PXGISHOPBWUSHS-UHFFFAOYSA-N 1 2 241.295 -0.295 20 0 BBADLO CCn1ncnc1C[NH2+][C@H](C)C(=O)N(C)OC ZINC000877659724 590386410 /nfs/dbraw/zinc/38/64/10/590386410.db2.gz AQIFQJKQDUVXJR-MRVPVSSYSA-N 1 2 241.295 -0.204 20 0 BBADLO CCn1ncnc1C[NH2+][C@@H](C)C(=O)N(C)OC ZINC000877659725 590386317 /nfs/dbraw/zinc/38/63/17/590386317.db2.gz AQIFQJKQDUVXJR-QMMMGPOBSA-N 1 2 241.295 -0.204 20 0 BBADLO COC(=O)CNC(=O)C[NH2+]Cc1cc(C)on1 ZINC000877705980 590397863 /nfs/dbraw/zinc/39/78/63/590397863.db2.gz CNJVNUOQOFNQEO-UHFFFAOYSA-N 1 2 241.247 -0.638 20 0 BBADLO Cc1[nH]ncc1C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000877719630 590400578 /nfs/dbraw/zinc/40/05/78/590400578.db2.gz CEUPCCXHBOGLMC-AOOOYVTPSA-N 1 2 248.286 -0.235 20 0 BBADLO Cc1[nH]ncc1C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000877719630 590400575 /nfs/dbraw/zinc/40/05/75/590400575.db2.gz CEUPCCXHBOGLMC-AOOOYVTPSA-N 1 2 248.286 -0.235 20 0 BBADLO COc1ncncc1C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877749884 590413887 /nfs/dbraw/zinc/41/38/87/590413887.db2.gz ABRIJWJLPRSBLD-ZJUUUORDSA-N 1 2 239.275 -0.587 20 0 BBADLO COc1ncncc1C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877749884 590413885 /nfs/dbraw/zinc/41/38/85/590413885.db2.gz ABRIJWJLPRSBLD-ZJUUUORDSA-N 1 2 239.275 -0.587 20 0 BBADLO COc1nccnc1C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877749909 590414915 /nfs/dbraw/zinc/41/49/15/590414915.db2.gz BARFKFFKBBXANO-ZJUUUORDSA-N 1 2 239.275 -0.587 20 0 BBADLO COc1nccnc1C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877749909 590414914 /nfs/dbraw/zinc/41/49/14/590414914.db2.gz BARFKFFKBBXANO-ZJUUUORDSA-N 1 2 239.275 -0.587 20 0 BBADLO COc1nccc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)n1 ZINC000877749923 590414389 /nfs/dbraw/zinc/41/43/89/590414389.db2.gz BVMOWVOEPMFLIJ-ZJUUUORDSA-N 1 2 239.275 -0.587 20 0 BBADLO COc1nccc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)n1 ZINC000877749923 590414387 /nfs/dbraw/zinc/41/43/87/590414387.db2.gz BVMOWVOEPMFLIJ-ZJUUUORDSA-N 1 2 239.275 -0.587 20 0 BBADLO CCCn1cc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)nn1 ZINC000877749963 590415022 /nfs/dbraw/zinc/41/50/22/590415022.db2.gz DVHIJHNAAASQAA-MNOVXSKESA-N 1 2 240.307 -0.384 20 0 BBADLO CCCn1cc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)nn1 ZINC000877749963 590415019 /nfs/dbraw/zinc/41/50/19/590415019.db2.gz DVHIJHNAAASQAA-MNOVXSKESA-N 1 2 240.307 -0.384 20 0 BBADLO CCn1nc(C)c(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)n1 ZINC000877750098 583345864 /nfs/dbraw/zinc/34/58/64/583345864.db2.gz IGOKZHJSEBOIBL-MNOVXSKESA-N 1 2 240.307 -0.466 20 0 BBADLO CCn1nc(C)c(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)n1 ZINC000877750098 583345862 /nfs/dbraw/zinc/34/58/62/583345862.db2.gz IGOKZHJSEBOIBL-MNOVXSKESA-N 1 2 240.307 -0.466 20 0 BBADLO CCn1ncc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)n1 ZINC000877750336 590413906 /nfs/dbraw/zinc/41/39/06/590413906.db2.gz OAFZPNNMUFXENV-ZJUUUORDSA-N 1 2 226.280 -0.775 20 0 BBADLO CCn1ncc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)n1 ZINC000877750336 590413904 /nfs/dbraw/zinc/41/39/04/590413904.db2.gz OAFZPNNMUFXENV-ZJUUUORDSA-N 1 2 226.280 -0.775 20 0 BBADLO O[C@@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C[C@@H]1O ZINC000877750515 590414021 /nfs/dbraw/zinc/41/40/21/590414021.db2.gz RSSQZOAJSVJFEK-NEPJUHHUSA-N 1 2 237.303 -0.243 20 0 BBADLO O[C@@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C[C@@H]1O ZINC000877750515 590414020 /nfs/dbraw/zinc/41/40/20/590414020.db2.gz RSSQZOAJSVJFEK-NEPJUHHUSA-N 1 2 237.303 -0.243 20 0 BBADLO COC(=O)C1(O)C[NH+](C[C@H]2CCC=CO2)C1 ZINC000877770594 590421320 /nfs/dbraw/zinc/42/13/20/590421320.db2.gz GFTTZQMRFNFWCF-SECBINFHSA-N 1 2 227.260 -0.101 20 0 BBADLO COC(=O)C1(O)C[NH+](C[C@@H]2CCC=CO2)C1 ZINC000877770595 590421650 /nfs/dbraw/zinc/42/16/50/590421650.db2.gz GFTTZQMRFNFWCF-VIFPVBQESA-N 1 2 227.260 -0.101 20 0 BBADLO COC(=O)C1(O)CN(Cc2[nH]cc(C)[nH+]2)C1 ZINC000877770642 590421598 /nfs/dbraw/zinc/42/15/98/590421598.db2.gz IYAWAGSCNQSPSI-UHFFFAOYSA-N 1 2 225.248 -0.562 20 0 BBADLO COC(=O)C1(O)C[NH+](C[C@H]2CCSC2)C1 ZINC000877770645 590421314 /nfs/dbraw/zinc/42/13/14/590421314.db2.gz JAXNCQPFCPVZRH-MRVPVSSYSA-N 1 2 231.317 -0.041 20 0 BBADLO COC(=O)C1(O)C[NH+](C[C@@H]2CCSC2)C1 ZINC000877770646 590421403 /nfs/dbraw/zinc/42/14/03/590421403.db2.gz JAXNCQPFCPVZRH-QMMMGPOBSA-N 1 2 231.317 -0.041 20 0 BBADLO COC[C@H](C)C[NH+]1CC(O)(C(=O)OC)C1 ZINC000877770691 590421688 /nfs/dbraw/zinc/42/16/88/590421688.db2.gz KQZQRFHZTIZSBD-MRVPVSSYSA-N 1 2 217.265 -0.511 20 0 BBADLO COC[C@@H](C)C[NH+]1CC(O)(C(=O)OC)C1 ZINC000877770692 590421538 /nfs/dbraw/zinc/42/15/38/590421538.db2.gz KQZQRFHZTIZSBD-QMMMGPOBSA-N 1 2 217.265 -0.511 20 0 BBADLO COC(=O)C1(O)C[NH+](CCC[C@@H]2CCO2)C1 ZINC000877770952 590422306 /nfs/dbraw/zinc/42/23/06/590422306.db2.gz LBFZPVCPEQRZQQ-SECBINFHSA-N 1 2 229.276 -0.225 20 0 BBADLO COC(=O)C1(O)C[NH+](CCC[C@H]2CCO2)C1 ZINC000877770953 590422249 /nfs/dbraw/zinc/42/22/49/590422249.db2.gz LBFZPVCPEQRZQQ-VIFPVBQESA-N 1 2 229.276 -0.225 20 0 BBADLO COC(=O)C1(O)CN(Cc2[nH]c(C)c(C)[nH+]2)C1 ZINC000877771397 590422668 /nfs/dbraw/zinc/42/26/68/590422668.db2.gz WWIXTKJXZORMEU-UHFFFAOYSA-N 1 2 239.275 -0.254 20 0 BBADLO CCOC(=O)C[NH+]1CCC(C(=O)NOC)CC1 ZINC000877785709 590424392 /nfs/dbraw/zinc/42/43/92/590424392.db2.gz DBGPEVJSNVOFNK-UHFFFAOYSA-N 1 2 244.291 -0.061 20 0 BBADLO CCOC(=O)C[NH+]1CCC(CO)(CO)CC1 ZINC000877798325 590425286 /nfs/dbraw/zinc/42/52/86/590425286.db2.gz NECYWOQFDXBJOY-UHFFFAOYSA-N 1 2 231.292 -0.384 20 0 BBADLO C[N@@H+](CCS(N)(=O)=O)Cc1ccnc(F)c1 ZINC000877825875 590428390 /nfs/dbraw/zinc/42/83/90/590428390.db2.gz GUWLGGLKJXQSKA-UHFFFAOYSA-N 1 2 247.295 -0.059 20 0 BBADLO C[N@H+](CCS(N)(=O)=O)Cc1ccnc(F)c1 ZINC000877825875 590428388 /nfs/dbraw/zinc/42/83/88/590428388.db2.gz GUWLGGLKJXQSKA-UHFFFAOYSA-N 1 2 247.295 -0.059 20 0 BBADLO CCn1c[nH+]cc1CN(C)CCS(N)(=O)=O ZINC000877825891 590428453 /nfs/dbraw/zinc/42/84/53/590428453.db2.gz HSUHDSCZQMLIQU-UHFFFAOYSA-N 1 2 246.336 -0.377 20 0 BBADLO Cc1nocc1C[N@@H+](C)CCS(N)(=O)=O ZINC000877825920 590427805 /nfs/dbraw/zinc/42/78/05/590427805.db2.gz ITLJVGUZUIYBMV-UHFFFAOYSA-N 1 2 233.293 -0.297 20 0 BBADLO Cc1nocc1C[N@H+](C)CCS(N)(=O)=O ZINC000877825920 590427802 /nfs/dbraw/zinc/42/78/02/590427802.db2.gz ITLJVGUZUIYBMV-UHFFFAOYSA-N 1 2 233.293 -0.297 20 0 BBADLO C[N@@H+](CCS(N)(=O)=O)Cc1ccc(F)cn1 ZINC000877825960 590428300 /nfs/dbraw/zinc/42/83/00/590428300.db2.gz KPCKXCWUUHZOOH-UHFFFAOYSA-N 1 2 247.295 -0.059 20 0 BBADLO C[N@H+](CCS(N)(=O)=O)Cc1ccc(F)cn1 ZINC000877825960 590428298 /nfs/dbraw/zinc/42/82/98/590428298.db2.gz KPCKXCWUUHZOOH-UHFFFAOYSA-N 1 2 247.295 -0.059 20 0 BBADLO Cc1cnn(C)c1C[N@@H+](C)CCS(N)(=O)=O ZINC000877826029 590428053 /nfs/dbraw/zinc/42/80/53/590428053.db2.gz MXNUGBVHWPBCSN-UHFFFAOYSA-N 1 2 246.336 -0.551 20 0 BBADLO Cc1cnn(C)c1C[N@H+](C)CCS(N)(=O)=O ZINC000877826029 590428051 /nfs/dbraw/zinc/42/80/51/590428051.db2.gz MXNUGBVHWPBCSN-UHFFFAOYSA-N 1 2 246.336 -0.551 20 0 BBADLO Cc1cc(C[N@@H+](C)CCS(N)(=O)=O)on1 ZINC000877826081 590428479 /nfs/dbraw/zinc/42/84/79/590428479.db2.gz ORIRZVXWNFKADC-UHFFFAOYSA-N 1 2 233.293 -0.297 20 0 BBADLO Cc1cc(C[N@H+](C)CCS(N)(=O)=O)on1 ZINC000877826081 590428478 /nfs/dbraw/zinc/42/84/78/590428478.db2.gz ORIRZVXWNFKADC-UHFFFAOYSA-N 1 2 233.293 -0.297 20 0 BBADLO Cc1[nH]c(CN(C)CCS(N)(=O)=O)[nH+]c1C ZINC000877826142 590428463 /nfs/dbraw/zinc/42/84/63/590428463.db2.gz QYXBBTMZELCQOK-UHFFFAOYSA-N 1 2 246.336 -0.253 20 0 BBADLO C[N@@H+](CCS(N)(=O)=O)Cc1ccns1 ZINC000877826144 590427902 /nfs/dbraw/zinc/42/79/02/590427902.db2.gz QZHYDZFDAARGFG-UHFFFAOYSA-N 1 2 235.334 -0.137 20 0 BBADLO C[N@H+](CCS(N)(=O)=O)Cc1ccns1 ZINC000877826144 590427901 /nfs/dbraw/zinc/42/79/01/590427901.db2.gz QZHYDZFDAARGFG-UHFFFAOYSA-N 1 2 235.334 -0.137 20 0 BBADLO Cc1cc(C[N@@H+](C)CCS(N)(=O)=O)n(C)n1 ZINC000877826171 590428581 /nfs/dbraw/zinc/42/85/81/590428581.db2.gz SBNWYWNRTGINMF-UHFFFAOYSA-N 1 2 246.336 -0.551 20 0 BBADLO Cc1cc(C[N@H+](C)CCS(N)(=O)=O)n(C)n1 ZINC000877826171 590428579 /nfs/dbraw/zinc/42/85/79/590428579.db2.gz SBNWYWNRTGINMF-UHFFFAOYSA-N 1 2 246.336 -0.551 20 0 BBADLO C[N@@H+](CCS(N)(=O)=O)CC1(F)CC1 ZINC000877826225 590428411 /nfs/dbraw/zinc/42/84/11/590428411.db2.gz UXHZVVKORPKANV-UHFFFAOYSA-N 1 2 210.274 -0.291 20 0 BBADLO C[N@H+](CCS(N)(=O)=O)CC1(F)CC1 ZINC000877826225 590428408 /nfs/dbraw/zinc/42/84/08/590428408.db2.gz UXHZVVKORPKANV-UHFFFAOYSA-N 1 2 210.274 -0.291 20 0 BBADLO C=Cn1cc(C[N@@H+](C)CCS(N)(=O)=O)cn1 ZINC000877826260 590428173 /nfs/dbraw/zinc/42/81/73/590428173.db2.gz WLQQHURACKSPFV-UHFFFAOYSA-N 1 2 244.320 -0.296 20 0 BBADLO C=Cn1cc(C[N@H+](C)CCS(N)(=O)=O)cn1 ZINC000877826260 590428171 /nfs/dbraw/zinc/42/81/71/590428171.db2.gz WLQQHURACKSPFV-UHFFFAOYSA-N 1 2 244.320 -0.296 20 0 BBADLO Cc1c[nH]c(CN(C)CCS(N)(=O)=O)[nH+]1 ZINC000877826272 590428321 /nfs/dbraw/zinc/42/83/21/590428321.db2.gz XCZMEYXHYSISNF-UHFFFAOYSA-N 1 2 232.309 -0.562 20 0 BBADLO C[N@@H+](CCS(N)(=O)=O)Cc1cncc(F)c1 ZINC000877826562 590429253 /nfs/dbraw/zinc/42/92/53/590429253.db2.gz DXVUMZVVORXACE-UHFFFAOYSA-N 1 2 247.295 -0.059 20 0 BBADLO C[N@H+](CCS(N)(=O)=O)Cc1cncc(F)c1 ZINC000877826562 590429251 /nfs/dbraw/zinc/42/92/51/590429251.db2.gz DXVUMZVVORXACE-UHFFFAOYSA-N 1 2 247.295 -0.059 20 0 BBADLO Cc1n[nH]cc1C[N@@H+](C)CCS(N)(=O)=O ZINC000877826836 590429139 /nfs/dbraw/zinc/42/91/39/590429139.db2.gz HXNNOIKTJCCNAU-UHFFFAOYSA-N 1 2 232.309 -0.562 20 0 BBADLO Cc1n[nH]cc1C[N@H+](C)CCS(N)(=O)=O ZINC000877826836 590429137 /nfs/dbraw/zinc/42/91/37/590429137.db2.gz HXNNOIKTJCCNAU-UHFFFAOYSA-N 1 2 232.309 -0.562 20 0 BBADLO CCn1cc[nH+]c1CN(C)CCS(N)(=O)=O ZINC000877826863 590429359 /nfs/dbraw/zinc/42/93/59/590429359.db2.gz IRGKLGMSYHISFE-UHFFFAOYSA-N 1 2 246.336 -0.377 20 0 BBADLO C[N@@H+](CCS(N)(=O)=O)Cc1ccccn1 ZINC000877826926 590429345 /nfs/dbraw/zinc/42/93/45/590429345.db2.gz PKYXKDMJBZEBLK-UHFFFAOYSA-N 1 2 229.305 -0.198 20 0 BBADLO C[N@H+](CCS(N)(=O)=O)Cc1ccccn1 ZINC000877826926 590429344 /nfs/dbraw/zinc/42/93/44/590429344.db2.gz PKYXKDMJBZEBLK-UHFFFAOYSA-N 1 2 229.305 -0.198 20 0 BBADLO CCn1nccc1C[N@@H+](C)CCS(N)(=O)=O ZINC000877827021 590429223 /nfs/dbraw/zinc/42/92/23/590429223.db2.gz KZIZGWSFYARPRW-UHFFFAOYSA-N 1 2 246.336 -0.377 20 0 BBADLO CCn1nccc1C[N@H+](C)CCS(N)(=O)=O ZINC000877827021 590429220 /nfs/dbraw/zinc/42/92/20/590429220.db2.gz KZIZGWSFYARPRW-UHFFFAOYSA-N 1 2 246.336 -0.377 20 0 BBADLO C[N@@H+](CCS(N)(=O)=O)Cc1ccncc1 ZINC000877827089 590429357 /nfs/dbraw/zinc/42/93/57/590429357.db2.gz SCJOKQBKMFKTLL-UHFFFAOYSA-N 1 2 229.305 -0.198 20 0 BBADLO C[N@H+](CCS(N)(=O)=O)Cc1ccncc1 ZINC000877827089 590429356 /nfs/dbraw/zinc/42/93/56/590429356.db2.gz SCJOKQBKMFKTLL-UHFFFAOYSA-N 1 2 229.305 -0.198 20 0 BBADLO C[N@@H+](CCS(N)(=O)=O)Cc1ccc(CO)o1 ZINC000877827213 590428861 /nfs/dbraw/zinc/42/88/61/590428861.db2.gz PHLAVDPCOPFQOD-UHFFFAOYSA-N 1 2 248.304 -0.508 20 0 BBADLO C[N@H+](CCS(N)(=O)=O)Cc1ccc(CO)o1 ZINC000877827213 590428860 /nfs/dbraw/zinc/42/88/60/590428860.db2.gz PHLAVDPCOPFQOD-UHFFFAOYSA-N 1 2 248.304 -0.508 20 0 BBADLO Cc1nn(C)cc1C[N@@H+](C)CCS(N)(=O)=O ZINC000877827424 590428785 /nfs/dbraw/zinc/42/87/85/590428785.db2.gz TZDDRZMOXBGEPW-UHFFFAOYSA-N 1 2 246.336 -0.551 20 0 BBADLO Cc1nn(C)cc1C[N@H+](C)CCS(N)(=O)=O ZINC000877827424 590428783 /nfs/dbraw/zinc/42/87/83/590428783.db2.gz TZDDRZMOXBGEPW-UHFFFAOYSA-N 1 2 246.336 -0.551 20 0 BBADLO C[N@@H+](CCS(N)(=O)=O)Cc1ccc(F)nc1 ZINC000877827480 590429570 /nfs/dbraw/zinc/42/95/70/590429570.db2.gz WTOTWZBAVXRMPA-UHFFFAOYSA-N 1 2 247.295 -0.059 20 0 BBADLO C[N@H+](CCS(N)(=O)=O)Cc1ccc(F)nc1 ZINC000877827480 590429568 /nfs/dbraw/zinc/42/95/68/590429568.db2.gz WTOTWZBAVXRMPA-UHFFFAOYSA-N 1 2 247.295 -0.059 20 0 BBADLO C[N@@H+](CCS(N)(=O)=O)Cc1cncs1 ZINC000877827532 590428933 /nfs/dbraw/zinc/42/89/33/590428933.db2.gz ZKVZXRKWHPCMHJ-UHFFFAOYSA-N 1 2 235.334 -0.137 20 0 BBADLO C[N@H+](CCS(N)(=O)=O)Cc1cncs1 ZINC000877827532 590428930 /nfs/dbraw/zinc/42/89/30/590428930.db2.gz ZKVZXRKWHPCMHJ-UHFFFAOYSA-N 1 2 235.334 -0.137 20 0 BBADLO CCn1nnc(C)c1C[N@H+]1CCCNC(=O)C1 ZINC000877834032 583349591 /nfs/dbraw/zinc/34/95/91/583349591.db2.gz NEOWKSYNSZUTGA-UHFFFAOYSA-N 1 2 237.307 -0.072 20 0 BBADLO CCn1nnc(C)c1C[N@@H+]1CCCNC(=O)C1 ZINC000877834032 583349589 /nfs/dbraw/zinc/34/95/89/583349589.db2.gz NEOWKSYNSZUTGA-UHFFFAOYSA-N 1 2 237.307 -0.072 20 0 BBADLO CNC(=O)C[NH+](CC(=O)NC)C[C@@H](C)COC ZINC000877838574 590432647 /nfs/dbraw/zinc/43/26/47/590432647.db2.gz KABQTMMMCQYIPW-SECBINFHSA-N 1 2 245.323 -0.937 20 0 BBADLO CNC(=O)C[NH+](CC(=O)NC)C[C@H](C)COC ZINC000877838576 590432134 /nfs/dbraw/zinc/43/21/34/590432134.db2.gz KABQTMMMCQYIPW-VIFPVBQESA-N 1 2 245.323 -0.937 20 0 BBADLO CC[C@@H](C)C[NH+](CC(=O)NC)CC(=O)NC ZINC000877838778 590432121 /nfs/dbraw/zinc/43/21/21/590432121.db2.gz OLEYBUXBVCGKHD-SECBINFHSA-N 1 2 229.324 -0.174 20 0 BBADLO CC[C@H](C)C[NH+](CC(=O)NC)CC(=O)NC ZINC000877838780 590432762 /nfs/dbraw/zinc/43/27/62/590432762.db2.gz OLEYBUXBVCGKHD-VIFPVBQESA-N 1 2 229.324 -0.174 20 0 BBADLO CCSCC[NH+](CC(=O)NC)CC(=O)NC ZINC000877839023 590432493 /nfs/dbraw/zinc/43/24/93/590432493.db2.gz VDPTUMKXCCIIFZ-UHFFFAOYSA-N 1 2 247.364 -0.467 20 0 BBADLO C[C@@H]1C[N@@H+](CCc2nnnn2C)CCO1 ZINC000877896102 590441788 /nfs/dbraw/zinc/44/17/88/590441788.db2.gz QUTWUCITOWBWLW-MRVPVSSYSA-N 1 2 211.269 -0.527 20 0 BBADLO C[C@@H]1C[N@H+](CCc2nnnn2C)CCO1 ZINC000877896102 590441787 /nfs/dbraw/zinc/44/17/87/590441787.db2.gz QUTWUCITOWBWLW-MRVPVSSYSA-N 1 2 211.269 -0.527 20 0 BBADLO C[C@H]1C[N@@H+](CCc2nnnn2C)CCO1 ZINC000877896103 590441837 /nfs/dbraw/zinc/44/18/37/590441837.db2.gz QUTWUCITOWBWLW-QMMMGPOBSA-N 1 2 211.269 -0.527 20 0 BBADLO C[C@H]1C[N@H+](CCc2nnnn2C)CCO1 ZINC000877896103 590441835 /nfs/dbraw/zinc/44/18/35/590441835.db2.gz QUTWUCITOWBWLW-QMMMGPOBSA-N 1 2 211.269 -0.527 20 0 BBADLO O=C1C[N@@H+](C[C@@H](O)CC2(O)CCCC2)CCN1 ZINC000877906334 590444199 /nfs/dbraw/zinc/44/41/99/590444199.db2.gz OTZCCMQWCBLBFN-JTQLQIEISA-N 1 2 242.319 -0.526 20 0 BBADLO O=C1C[N@H+](C[C@@H](O)CC2(O)CCCC2)CCN1 ZINC000877906334 590444196 /nfs/dbraw/zinc/44/41/96/590444196.db2.gz OTZCCMQWCBLBFN-JTQLQIEISA-N 1 2 242.319 -0.526 20 0 BBADLO O=C1C[N@@H+](C[C@H](O)CC2(O)CCCC2)CCN1 ZINC000877906335 590444714 /nfs/dbraw/zinc/44/47/14/590444714.db2.gz OTZCCMQWCBLBFN-SNVBAGLBSA-N 1 2 242.319 -0.526 20 0 BBADLO O=C1C[N@H+](C[C@H](O)CC2(O)CCCC2)CCN1 ZINC000877906335 590444711 /nfs/dbraw/zinc/44/47/11/590444711.db2.gz OTZCCMQWCBLBFN-SNVBAGLBSA-N 1 2 242.319 -0.526 20 0 BBADLO CC(C)[C@H](O)CC[N@H+]1CCNC(=O)C1 ZINC000877906422 590444296 /nfs/dbraw/zinc/44/42/96/590444296.db2.gz QNIAFQZJJWOFDK-SECBINFHSA-N 1 2 200.282 -0.175 20 0 BBADLO CC(C)[C@H](O)CC[N@@H+]1CCNC(=O)C1 ZINC000877906422 590444294 /nfs/dbraw/zinc/44/42/94/590444294.db2.gz QNIAFQZJJWOFDK-SECBINFHSA-N 1 2 200.282 -0.175 20 0 BBADLO CC(C)[C@@H](O)CC[N@H+]1CCNC(=O)C1 ZINC000877906424 590444218 /nfs/dbraw/zinc/44/42/18/590444218.db2.gz QNIAFQZJJWOFDK-VIFPVBQESA-N 1 2 200.282 -0.175 20 0 BBADLO CC(C)[C@@H](O)CC[N@@H+]1CCNC(=O)C1 ZINC000877906424 590444216 /nfs/dbraw/zinc/44/42/16/590444216.db2.gz QNIAFQZJJWOFDK-VIFPVBQESA-N 1 2 200.282 -0.175 20 0 BBADLO NC(=O)c1ccc(CC[N@H+]2CCNC(=O)C2)cc1 ZINC000877906555 590444145 /nfs/dbraw/zinc/44/41/45/590444145.db2.gz SEKQAMDRFKBFPA-UHFFFAOYSA-N 1 2 247.298 -0.240 20 0 BBADLO NC(=O)c1ccc(CC[N@@H+]2CCNC(=O)C2)cc1 ZINC000877906555 590444142 /nfs/dbraw/zinc/44/41/42/590444142.db2.gz SEKQAMDRFKBFPA-UHFFFAOYSA-N 1 2 247.298 -0.240 20 0 BBADLO COC(=O)C[N@@H+](C)C[C@H](O)CC(C)(C)O ZINC000877921238 590447258 /nfs/dbraw/zinc/44/72/58/590447258.db2.gz HSJHTUCCEQASED-MRVPVSSYSA-N 1 2 219.281 -0.387 20 0 BBADLO COC(=O)C[N@H+](C)C[C@H](O)CC(C)(C)O ZINC000877921238 590447256 /nfs/dbraw/zinc/44/72/56/590447256.db2.gz HSJHTUCCEQASED-MRVPVSSYSA-N 1 2 219.281 -0.387 20 0 BBADLO COC(=O)C[N@@H+](C)C[C@@H](O)CC(C)(C)O ZINC000877921240 590447670 /nfs/dbraw/zinc/44/76/70/590447670.db2.gz HSJHTUCCEQASED-QMMMGPOBSA-N 1 2 219.281 -0.387 20 0 BBADLO COC(=O)C[N@H+](C)C[C@@H](O)CC(C)(C)O ZINC000877921240 590447669 /nfs/dbraw/zinc/44/76/69/590447669.db2.gz HSJHTUCCEQASED-QMMMGPOBSA-N 1 2 219.281 -0.387 20 0 BBADLO CC[NH+]1CCN(CC(=O)N=S(C)(C)=O)CC1 ZINC000877932952 590450793 /nfs/dbraw/zinc/45/07/93/590450793.db2.gz BXJUHOBMGPKBJZ-UHFFFAOYSA-N 1 2 247.364 -0.122 20 0 BBADLO CC(C)NC(=O)C[N@@H+](C)CCc1nnnn1C ZINC000877940457 590453307 /nfs/dbraw/zinc/45/33/07/590453307.db2.gz CNJPWZLLWSTCDW-UHFFFAOYSA-N 1 2 240.311 -0.791 20 0 BBADLO CC(C)NC(=O)C[N@H+](C)CCc1nnnn1C ZINC000877940457 590453306 /nfs/dbraw/zinc/45/33/06/590453306.db2.gz CNJPWZLLWSTCDW-UHFFFAOYSA-N 1 2 240.311 -0.791 20 0 BBADLO C[C@@H]1COCC[N@H+]1CCc1nnnn1C ZINC000877953827 590456541 /nfs/dbraw/zinc/45/65/41/590456541.db2.gz QWCVQULRCFFNQW-MRVPVSSYSA-N 1 2 211.269 -0.527 20 0 BBADLO C[C@@H]1COCC[N@@H+]1CCc1nnnn1C ZINC000877953827 590456539 /nfs/dbraw/zinc/45/65/39/590456539.db2.gz QWCVQULRCFFNQW-MRVPVSSYSA-N 1 2 211.269 -0.527 20 0 BBADLO C[C@H]1COCC[N@H+]1CCc1nnnn1C ZINC000877953828 590456115 /nfs/dbraw/zinc/45/61/15/590456115.db2.gz QWCVQULRCFFNQW-QMMMGPOBSA-N 1 2 211.269 -0.527 20 0 BBADLO C[C@H]1COCC[N@@H+]1CCc1nnnn1C ZINC000877953828 590456114 /nfs/dbraw/zinc/45/61/14/590456114.db2.gz QWCVQULRCFFNQW-QMMMGPOBSA-N 1 2 211.269 -0.527 20 0 BBADLO O=C(COC1CC1)NCC[NH+]1CCOCC1 ZINC000877962076 590459762 /nfs/dbraw/zinc/45/97/62/590459762.db2.gz XLCUMOLURUPCNR-UHFFFAOYSA-N 1 2 228.292 -0.386 20 0 BBADLO CCC[N@@H+](CCc1nnnn1C)CC(=O)OC ZINC000877974217 590462906 /nfs/dbraw/zinc/46/29/06/590462906.db2.gz QGJWAVQYTORUNO-UHFFFAOYSA-N 1 2 241.295 -0.362 20 0 BBADLO CCC[N@H+](CCc1nnnn1C)CC(=O)OC ZINC000877974217 590462903 /nfs/dbraw/zinc/46/29/03/590462903.db2.gz QGJWAVQYTORUNO-UHFFFAOYSA-N 1 2 241.295 -0.362 20 0 BBADLO COC(=O)N1CC[NH+](CCn2cnnn2)CC1 ZINC000877976734 590463814 /nfs/dbraw/zinc/46/38/14/590463814.db2.gz YTTGKNCQPZUSEB-UHFFFAOYSA-N 1 2 240.267 -0.943 20 0 BBADLO CCN(C#N)CC[N@@H+](CC)CC(=O)NC ZINC000877985879 590465909 /nfs/dbraw/zinc/46/59/09/590465909.db2.gz AMUREVWYUDMGTG-UHFFFAOYSA-N 1 2 212.297 -0.143 20 0 BBADLO CCN(C#N)CC[N@H+](CC)CC(=O)NC ZINC000877985879 590465907 /nfs/dbraw/zinc/46/59/07/590465907.db2.gz AMUREVWYUDMGTG-UHFFFAOYSA-N 1 2 212.297 -0.143 20 0 BBADLO CCOC(=O)C[N@@H+](CC)CCc1nnnn1C ZINC000877999832 590470224 /nfs/dbraw/zinc/47/02/24/590470224.db2.gz JXRZJUZSXIKWDR-UHFFFAOYSA-N 1 2 241.295 -0.362 20 0 BBADLO CCOC(=O)C[N@H+](CC)CCc1nnnn1C ZINC000877999832 590470221 /nfs/dbraw/zinc/47/02/21/590470221.db2.gz JXRZJUZSXIKWDR-UHFFFAOYSA-N 1 2 241.295 -0.362 20 0 BBADLO c1nnnn1CC[NH+]1CCN(C2CC2)CC1 ZINC000877999902 590470343 /nfs/dbraw/zinc/47/03/43/590470343.db2.gz AEMLATOZGQBBRZ-UHFFFAOYSA-N 1 2 222.296 -0.547 20 0 BBADLO Cc1nn(CC(=O)Nc2cc[nH+]c(C)c2)c(=O)o1 ZINC000878008432 590472000 /nfs/dbraw/zinc/47/20/00/590472000.db2.gz IEYFSIJUWJTTOF-UHFFFAOYSA-N 1 2 248.242 -0.091 20 0 BBADLO FC(F)CN1CC[NH+](CCn2cnnn2)CC1 ZINC000878015951 590473062 /nfs/dbraw/zinc/47/30/62/590473062.db2.gz FTHPBNPZYJGWSO-UHFFFAOYSA-N 1 2 246.265 -0.444 20 0 BBADLO CCOC(=O)C[N@@H+](C)CCc1nnnn1C ZINC000878020251 590472966 /nfs/dbraw/zinc/47/29/66/590472966.db2.gz JLGPZWJKMLWKBC-UHFFFAOYSA-N 1 2 227.268 -0.753 20 0 BBADLO CCOC(=O)C[N@H+](C)CCc1nnnn1C ZINC000878020251 590472965 /nfs/dbraw/zinc/47/29/65/590472965.db2.gz JLGPZWJKMLWKBC-UHFFFAOYSA-N 1 2 227.268 -0.753 20 0 BBADLO C[N@@H+](CCn1cnnn1)CC(=O)OC(C)(C)C ZINC000878030029 590475050 /nfs/dbraw/zinc/47/50/50/590475050.db2.gz SYXPMDKEUIEBNY-UHFFFAOYSA-N 1 2 241.295 -0.053 20 0 BBADLO C[N@H+](CCn1cnnn1)CC(=O)OC(C)(C)C ZINC000878030029 590475047 /nfs/dbraw/zinc/47/50/47/590475047.db2.gz SYXPMDKEUIEBNY-UHFFFAOYSA-N 1 2 241.295 -0.053 20 0 BBADLO CCN(C#N)CC[N@H+]1CCCNC(=O)C1 ZINC000878039370 590477122 /nfs/dbraw/zinc/47/71/22/590477122.db2.gz QVZIOFDYJRTYTG-UHFFFAOYSA-N 1 2 210.281 -0.389 20 0 BBADLO CCN(C#N)CC[N@@H+]1CCCNC(=O)C1 ZINC000878039370 590477119 /nfs/dbraw/zinc/47/71/19/590477119.db2.gz QVZIOFDYJRTYTG-UHFFFAOYSA-N 1 2 210.281 -0.389 20 0 BBADLO O=C1C[N@@H+](CCc2cnccn2)CCCN1 ZINC000878039571 590478486 /nfs/dbraw/zinc/47/84/86/590478486.db2.gz YLNPHAYTTGMSJZ-UHFFFAOYSA-N 1 2 220.276 -0.159 20 0 BBADLO O=C1C[N@H+](CCc2cnccn2)CCCN1 ZINC000878039571 590478482 /nfs/dbraw/zinc/47/84/82/590478482.db2.gz YLNPHAYTTGMSJZ-UHFFFAOYSA-N 1 2 220.276 -0.159 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)CC(C)(C)O ZINC000878041389 590478077 /nfs/dbraw/zinc/47/80/77/590478077.db2.gz UEWKLMQEEPEZNI-BDAKNGLRSA-N 1 2 230.308 -0.671 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)CC(C)(C)O ZINC000878041389 590478075 /nfs/dbraw/zinc/47/80/75/590478075.db2.gz UEWKLMQEEPEZNI-BDAKNGLRSA-N 1 2 230.308 -0.671 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)CC(C)(C)O ZINC000878041391 590478098 /nfs/dbraw/zinc/47/80/98/590478098.db2.gz UEWKLMQEEPEZNI-DTWKUNHWSA-N 1 2 230.308 -0.671 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1C[C@H](O)CC(C)(C)O ZINC000878041391 590478096 /nfs/dbraw/zinc/47/80/96/590478096.db2.gz UEWKLMQEEPEZNI-DTWKUNHWSA-N 1 2 230.308 -0.671 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)CC(C)(C)O ZINC000878041392 590478199 /nfs/dbraw/zinc/47/81/99/590478199.db2.gz UEWKLMQEEPEZNI-IUCAKERBSA-N 1 2 230.308 -0.671 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)CC(C)(C)O ZINC000878041392 590478198 /nfs/dbraw/zinc/47/81/98/590478198.db2.gz UEWKLMQEEPEZNI-IUCAKERBSA-N 1 2 230.308 -0.671 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)CC(C)(C)O ZINC000878041394 590477783 /nfs/dbraw/zinc/47/77/83/590477783.db2.gz UEWKLMQEEPEZNI-RKDXNWHRSA-N 1 2 230.308 -0.671 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)CC(C)(C)O ZINC000878041394 590477782 /nfs/dbraw/zinc/47/77/82/590477782.db2.gz UEWKLMQEEPEZNI-RKDXNWHRSA-N 1 2 230.308 -0.671 20 0 BBADLO CCOC(=O)C(C)(C)[NH2+]CCc1nnnn1C ZINC000878043774 590479390 /nfs/dbraw/zinc/47/93/90/590479390.db2.gz CGUUGFGNHLQDQI-UHFFFAOYSA-N 1 2 241.295 -0.316 20 0 BBADLO COC(=O)C(C)(C)[NH2+]CCc1nnnn1C ZINC000878044094 590479169 /nfs/dbraw/zinc/47/91/69/590479169.db2.gz IGHJRMXYMWWJKI-UHFFFAOYSA-N 1 2 227.268 -0.706 20 0 BBADLO COC(=O)C(C)(C)[NH2+]CCn1cnnn1 ZINC000878044285 590478837 /nfs/dbraw/zinc/47/88/37/590478837.db2.gz LACZOWIPTVATST-UHFFFAOYSA-N 1 2 213.241 -0.786 20 0 BBADLO CCOC(=O)C(C)(C)[NH2+]CCn1cnnn1 ZINC000878045121 590480390 /nfs/dbraw/zinc/48/03/90/590480390.db2.gz VSXUZCCOIJQZQR-UHFFFAOYSA-N 1 2 227.268 -0.396 20 0 BBADLO CC[N@@H+](CCc1nnnn1C)CC(=O)OC ZINC000878046894 590480545 /nfs/dbraw/zinc/48/05/45/590480545.db2.gz LLMKTKHXPJZZJR-UHFFFAOYSA-N 1 2 227.268 -0.753 20 0 BBADLO CC[N@H+](CCc1nnnn1C)CC(=O)OC ZINC000878046894 590480543 /nfs/dbraw/zinc/48/05/43/590480543.db2.gz LLMKTKHXPJZZJR-UHFFFAOYSA-N 1 2 227.268 -0.753 20 0 BBADLO OCC[NH+](CCO)Cc1nccn1CC(F)F ZINC000878049312 590481359 /nfs/dbraw/zinc/48/13/59/590481359.db2.gz IYIFQKIFBUJRBF-UHFFFAOYSA-N 1 2 249.261 -0.065 20 0 BBADLO COC(=O)[C@H]1CCC[N@H+]1CCc1nnnn1C ZINC000878054653 590483662 /nfs/dbraw/zinc/48/36/62/590483662.db2.gz IIZLBGMTQYDAJZ-MRVPVSSYSA-N 1 2 239.279 -0.610 20 0 BBADLO COC(=O)[C@H]1CCC[N@@H+]1CCc1nnnn1C ZINC000878054653 590483660 /nfs/dbraw/zinc/48/36/60/590483660.db2.gz IIZLBGMTQYDAJZ-MRVPVSSYSA-N 1 2 239.279 -0.610 20 0 BBADLO COC(=O)[C@@H]1CCC[N@H+]1CCc1nnnn1C ZINC000878054654 590483516 /nfs/dbraw/zinc/48/35/16/590483516.db2.gz IIZLBGMTQYDAJZ-QMMMGPOBSA-N 1 2 239.279 -0.610 20 0 BBADLO COC(=O)[C@@H]1CCC[N@@H+]1CCc1nnnn1C ZINC000878054654 590483515 /nfs/dbraw/zinc/48/35/15/590483515.db2.gz IIZLBGMTQYDAJZ-QMMMGPOBSA-N 1 2 239.279 -0.610 20 0 BBADLO Cn1nnc(C(=O)NCCNc2cccc[nH+]2)n1 ZINC000878082100 590488472 /nfs/dbraw/zinc/48/84/72/590488472.db2.gz WUFPCAJTACDKAK-UHFFFAOYSA-N 1 2 247.262 -0.553 20 0 BBADLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1CCn1cnnn1 ZINC000878090469 590490517 /nfs/dbraw/zinc/49/05/17/590490517.db2.gz WTIIQDJZYWANNA-SECBINFHSA-N 1 2 238.295 -0.871 20 0 BBADLO CC(C)[C@@H]1C(=O)NCC[N@H+]1CCn1cnnn1 ZINC000878090469 590490515 /nfs/dbraw/zinc/49/05/15/590490515.db2.gz WTIIQDJZYWANNA-SECBINFHSA-N 1 2 238.295 -0.871 20 0 BBADLO CC(C)[C@H]1C(=O)NCC[N@@H+]1CCn1cnnn1 ZINC000878090470 590490931 /nfs/dbraw/zinc/49/09/31/590490931.db2.gz WTIIQDJZYWANNA-VIFPVBQESA-N 1 2 238.295 -0.871 20 0 BBADLO CC(C)[C@H]1C(=O)NCC[N@H+]1CCn1cnnn1 ZINC000878090470 590490929 /nfs/dbraw/zinc/49/09/29/590490929.db2.gz WTIIQDJZYWANNA-VIFPVBQESA-N 1 2 238.295 -0.871 20 0 BBADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)CCn1cnnn1 ZINC000878097487 583361011 /nfs/dbraw/zinc/36/10/11/583361011.db2.gz DQFPDVUUHBNVSD-MRVPVSSYSA-N 1 2 247.324 -0.962 20 0 BBADLO C[C@H](CS(C)(=O)=O)[N@H+](C)CCn1cnnn1 ZINC000878097487 583361008 /nfs/dbraw/zinc/36/10/08/583361008.db2.gz DQFPDVUUHBNVSD-MRVPVSSYSA-N 1 2 247.324 -0.962 20 0 BBADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)CCn1cnnn1 ZINC000878097488 583360941 /nfs/dbraw/zinc/36/09/41/583360941.db2.gz DQFPDVUUHBNVSD-QMMMGPOBSA-N 1 2 247.324 -0.962 20 0 BBADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)CCn1cnnn1 ZINC000878097488 583360940 /nfs/dbraw/zinc/36/09/40/583360940.db2.gz DQFPDVUUHBNVSD-QMMMGPOBSA-N 1 2 247.324 -0.962 20 0 BBADLO C[N@@H+](CCn1cnnn1)Cc1cc[nH]n1 ZINC000878097497 590492780 /nfs/dbraw/zinc/49/27/80/590492780.db2.gz FFULEMUOCXTWCI-UHFFFAOYSA-N 1 2 207.241 -0.472 20 0 BBADLO C[N@H+](CCn1cnnn1)Cc1cc[nH]n1 ZINC000878097497 590492777 /nfs/dbraw/zinc/49/27/77/590492777.db2.gz FFULEMUOCXTWCI-UHFFFAOYSA-N 1 2 207.241 -0.472 20 0 BBADLO CC(C)(O)C[C@@H](O)C[N@H+]1CCNC(=O)C1(C)C ZINC000878108139 590496436 /nfs/dbraw/zinc/49/64/36/590496436.db2.gz YOSLLGGZOFADJJ-SECBINFHSA-N 1 2 244.335 -0.281 20 0 BBADLO CC(C)(O)C[C@@H](O)C[N@@H+]1CCNC(=O)C1(C)C ZINC000878108139 590496434 /nfs/dbraw/zinc/49/64/34/590496434.db2.gz YOSLLGGZOFADJJ-SECBINFHSA-N 1 2 244.335 -0.281 20 0 BBADLO CC(C)(O)C[C@H](O)C[N@H+]1CCNC(=O)C1(C)C ZINC000878108140 590496613 /nfs/dbraw/zinc/49/66/13/590496613.db2.gz YOSLLGGZOFADJJ-VIFPVBQESA-N 1 2 244.335 -0.281 20 0 BBADLO CC(C)(O)C[C@H](O)C[N@@H+]1CCNC(=O)C1(C)C ZINC000878108140 590496611 /nfs/dbraw/zinc/49/66/11/590496611.db2.gz YOSLLGGZOFADJJ-VIFPVBQESA-N 1 2 244.335 -0.281 20 0 BBADLO CCC[C@](C)([NH2+]CCn1cnnn1)C(=O)OC ZINC000878113299 590497518 /nfs/dbraw/zinc/49/75/18/590497518.db2.gz YRBAYGKHDLGBEV-JTQLQIEISA-N 1 2 241.295 -0.006 20 0 BBADLO CCC[C@@](C)([NH2+]CCn1cnnn1)C(=O)OC ZINC000878113300 590497324 /nfs/dbraw/zinc/49/73/24/590497324.db2.gz YRBAYGKHDLGBEV-SNVBAGLBSA-N 1 2 241.295 -0.006 20 0 BBADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1CCn1cnnn1 ZINC000878117796 590498486 /nfs/dbraw/zinc/49/84/86/590498486.db2.gz WNHMXUMHEZXDOI-ABFUHYCJSA-N 1 2 243.336 -0.486 20 0 BBADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1CCn1cnnn1 ZINC000878117796 590498484 /nfs/dbraw/zinc/49/84/84/590498484.db2.gz WNHMXUMHEZXDOI-ABFUHYCJSA-N 1 2 243.336 -0.486 20 0 BBADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1CCn1cnnn1 ZINC000878117797 590497915 /nfs/dbraw/zinc/49/79/15/590497915.db2.gz WNHMXUMHEZXDOI-YNEJBJPTSA-N 1 2 243.336 -0.486 20 0 BBADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1CCn1cnnn1 ZINC000878117797 590497914 /nfs/dbraw/zinc/49/79/14/590497914.db2.gz WNHMXUMHEZXDOI-YNEJBJPTSA-N 1 2 243.336 -0.486 20 0 BBADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCn1cnnn1 ZINC000878117798 590498248 /nfs/dbraw/zinc/49/82/48/590498248.db2.gz WNHMXUMHEZXDOI-LGZSNQIQSA-N 1 2 243.336 -0.486 20 0 BBADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCn1cnnn1 ZINC000878117798 590498246 /nfs/dbraw/zinc/49/82/46/590498246.db2.gz WNHMXUMHEZXDOI-LGZSNQIQSA-N 1 2 243.336 -0.486 20 0 BBADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCn1cnnn1 ZINC000878117799 590498333 /nfs/dbraw/zinc/49/83/33/590498333.db2.gz WNHMXUMHEZXDOI-GLSBUQGYSA-N 1 2 243.336 -0.486 20 0 BBADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCn1cnnn1 ZINC000878117799 590498330 /nfs/dbraw/zinc/49/83/30/590498330.db2.gz WNHMXUMHEZXDOI-GLSBUQGYSA-N 1 2 243.336 -0.486 20 0 BBADLO C[N@@H+](CCn1cnnn1)Cc1ccon1 ZINC000878124986 590501673 /nfs/dbraw/zinc/50/16/73/590501673.db2.gz KPSHPQKLMFZIMG-UHFFFAOYSA-N 1 2 208.225 -0.207 20 0 BBADLO C[N@H+](CCn1cnnn1)Cc1ccon1 ZINC000878124986 590501671 /nfs/dbraw/zinc/50/16/71/590501671.db2.gz KPSHPQKLMFZIMG-UHFFFAOYSA-N 1 2 208.225 -0.207 20 0 BBADLO Cn1nnnc1CC[N@@H+](C)Cc1ccon1 ZINC000878125928 590501398 /nfs/dbraw/zinc/50/13/98/590501398.db2.gz RAFQAOWQFJGQMB-UHFFFAOYSA-N 1 2 222.252 -0.127 20 0 BBADLO Cn1nnnc1CC[N@H+](C)Cc1ccon1 ZINC000878125928 590501397 /nfs/dbraw/zinc/50/13/97/590501397.db2.gz RAFQAOWQFJGQMB-UHFFFAOYSA-N 1 2 222.252 -0.127 20 0 BBADLO CN1CC[N@@H+](C[C@H](O)CC(C)(C)O)CC1=O ZINC000878126037 590501477 /nfs/dbraw/zinc/50/14/77/590501477.db2.gz UAFVJBCTCKPTNQ-SECBINFHSA-N 1 2 230.308 -0.718 20 0 BBADLO CN1CC[N@H+](C[C@H](O)CC(C)(C)O)CC1=O ZINC000878126037 590501476 /nfs/dbraw/zinc/50/14/76/590501476.db2.gz UAFVJBCTCKPTNQ-SECBINFHSA-N 1 2 230.308 -0.718 20 0 BBADLO CN1CC[N@@H+](C[C@@H](O)CC(C)(C)O)CC1=O ZINC000878126038 590501880 /nfs/dbraw/zinc/50/18/80/590501880.db2.gz UAFVJBCTCKPTNQ-VIFPVBQESA-N 1 2 230.308 -0.718 20 0 BBADLO CN1CC[N@H+](C[C@@H](O)CC(C)(C)O)CC1=O ZINC000878126038 590501879 /nfs/dbraw/zinc/50/18/79/590501879.db2.gz UAFVJBCTCKPTNQ-VIFPVBQESA-N 1 2 230.308 -0.718 20 0 BBADLO COC(=O)[C@@]1(F)CC[N@@H+](CCn2cnnn2)C1 ZINC000878155223 590509004 /nfs/dbraw/zinc/50/90/04/590509004.db2.gz DOZSSQOISNZATC-SECBINFHSA-N 1 2 243.242 -0.740 20 0 BBADLO COC(=O)[C@@]1(F)CC[N@H+](CCn2cnnn2)C1 ZINC000878155223 590509002 /nfs/dbraw/zinc/50/90/02/590509002.db2.gz DOZSSQOISNZATC-SECBINFHSA-N 1 2 243.242 -0.740 20 0 BBADLO COC(=O)[C@]1(F)CC[N@@H+](CCn2cnnn2)C1 ZINC000878155224 590508841 /nfs/dbraw/zinc/50/88/41/590508841.db2.gz DOZSSQOISNZATC-VIFPVBQESA-N 1 2 243.242 -0.740 20 0 BBADLO COC(=O)[C@]1(F)CC[N@H+](CCn2cnnn2)C1 ZINC000878155224 590508840 /nfs/dbraw/zinc/50/88/40/590508840.db2.gz DOZSSQOISNZATC-VIFPVBQESA-N 1 2 243.242 -0.740 20 0 BBADLO Cc1conc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000878155721 590509469 /nfs/dbraw/zinc/50/94/69/590509469.db2.gz KBZRMUYUWVWPFF-DTORHVGOSA-N 1 2 212.249 -0.089 20 0 BBADLO Cc1conc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000878155721 590509467 /nfs/dbraw/zinc/50/94/67/590509467.db2.gz KBZRMUYUWVWPFF-DTORHVGOSA-N 1 2 212.249 -0.089 20 0 BBADLO O[C@@H]1CN(Cc2[nH+]ccn2CC(F)F)C[C@@H]1O ZINC000878158612 590510004 /nfs/dbraw/zinc/51/00/04/590510004.db2.gz JYMBNVXQCMNMRT-OCAPTIKFSA-N 1 2 247.245 -0.314 20 0 BBADLO C[N@@H+](CCn1cnnn1)Cc1cnccn1 ZINC000878170275 590513594 /nfs/dbraw/zinc/51/35/94/590513594.db2.gz CEXCFNLVVHVZGL-UHFFFAOYSA-N 1 2 219.252 -0.405 20 0 BBADLO C[N@H+](CCn1cnnn1)Cc1cnccn1 ZINC000878170275 590513591 /nfs/dbraw/zinc/51/35/91/590513591.db2.gz CEXCFNLVVHVZGL-UHFFFAOYSA-N 1 2 219.252 -0.405 20 0 BBADLO Cc1nc2n(n1)CC[N@@H+](CCn1cnnn1)C2 ZINC000878171631 590515022 /nfs/dbraw/zinc/51/50/22/590515022.db2.gz QEOSQDGWPFOVNV-UHFFFAOYSA-N 1 2 234.267 -0.911 20 0 BBADLO Cc1nc2n(n1)CC[N@H+](CCn1cnnn1)C2 ZINC000878171631 590515021 /nfs/dbraw/zinc/51/50/21/590515021.db2.gz QEOSQDGWPFOVNV-UHFFFAOYSA-N 1 2 234.267 -0.911 20 0 BBADLO COC(=O)C[N@@H+](CCn1cnnn1)C1CC1 ZINC000878173494 590515405 /nfs/dbraw/zinc/51/54/05/590515405.db2.gz AEXWTIVTOKTWMK-UHFFFAOYSA-N 1 2 225.252 -0.690 20 0 BBADLO COC(=O)C[N@H+](CCn1cnnn1)C1CC1 ZINC000878173494 590515403 /nfs/dbraw/zinc/51/54/03/590515403.db2.gz AEXWTIVTOKTWMK-UHFFFAOYSA-N 1 2 225.252 -0.690 20 0 BBADLO COC(=O)C[N@@H+](CCc1nnnn1C)C1CC1 ZINC000878174186 590515559 /nfs/dbraw/zinc/51/55/59/590515559.db2.gz LDIWUKCDOQJUBO-UHFFFAOYSA-N 1 2 239.279 -0.610 20 0 BBADLO COC(=O)C[N@H+](CCc1nnnn1C)C1CC1 ZINC000878174186 590515558 /nfs/dbraw/zinc/51/55/58/590515558.db2.gz LDIWUKCDOQJUBO-UHFFFAOYSA-N 1 2 239.279 -0.610 20 0 BBADLO CN1CC[N@@H+](CCn2cnnn2)C(C)(C)C1=O ZINC000878184641 590518854 /nfs/dbraw/zinc/51/88/54/590518854.db2.gz ZGTIQIBOCVMVOM-UHFFFAOYSA-N 1 2 238.295 -0.774 20 0 BBADLO CN1CC[N@H+](CCn2cnnn2)C(C)(C)C1=O ZINC000878184641 590518853 /nfs/dbraw/zinc/51/88/53/590518853.db2.gz ZGTIQIBOCVMVOM-UHFFFAOYSA-N 1 2 238.295 -0.774 20 0 BBADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCn1cnnn1 ZINC000878191472 590520481 /nfs/dbraw/zinc/52/04/81/590520481.db2.gz PHRSQEVVLZIMSQ-SECBINFHSA-N 1 2 241.295 -0.055 20 0 BBADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCn1cnnn1 ZINC000878191472 590520479 /nfs/dbraw/zinc/52/04/79/590520479.db2.gz PHRSQEVVLZIMSQ-SECBINFHSA-N 1 2 241.295 -0.055 20 0 BBADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)CCn1cnnn1 ZINC000878191473 590520979 /nfs/dbraw/zinc/52/09/79/590520979.db2.gz PHRSQEVVLZIMSQ-VIFPVBQESA-N 1 2 241.295 -0.055 20 0 BBADLO CC(C)OC(=O)[C@H](C)[N@H+](C)CCn1cnnn1 ZINC000878191473 590520977 /nfs/dbraw/zinc/52/09/77/590520977.db2.gz PHRSQEVVLZIMSQ-VIFPVBQESA-N 1 2 241.295 -0.055 20 0 BBADLO CCN(C#N)CC[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000878194951 590521511 /nfs/dbraw/zinc/52/15/11/590521511.db2.gz MHBJSWGEBVJIRP-JTQLQIEISA-N 1 2 238.291 -0.074 20 0 BBADLO CCN(C#N)CC[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000878194951 590521510 /nfs/dbraw/zinc/52/15/10/590521510.db2.gz MHBJSWGEBVJIRP-JTQLQIEISA-N 1 2 238.291 -0.074 20 0 BBADLO CCN(C#N)CC[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000878194952 590521633 /nfs/dbraw/zinc/52/16/33/590521633.db2.gz MHBJSWGEBVJIRP-SNVBAGLBSA-N 1 2 238.291 -0.074 20 0 BBADLO CCN(C#N)CC[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000878194952 590521631 /nfs/dbraw/zinc/52/16/31/590521631.db2.gz MHBJSWGEBVJIRP-SNVBAGLBSA-N 1 2 238.291 -0.074 20 0 BBADLO COC(=O)C[N@@H+](CCc1nnnn1C)C(C)C ZINC000878215986 590524684 /nfs/dbraw/zinc/52/46/84/590524684.db2.gz NGFKWVZFMYHPNA-UHFFFAOYSA-N 1 2 241.295 -0.364 20 0 BBADLO COC(=O)C[N@H+](CCc1nnnn1C)C(C)C ZINC000878215986 590524682 /nfs/dbraw/zinc/52/46/82/590524682.db2.gz NGFKWVZFMYHPNA-UHFFFAOYSA-N 1 2 241.295 -0.364 20 0 BBADLO COC(=O)C(C)(C)[N@@H+](C)CCn1cnnn1 ZINC000878239092 590527974 /nfs/dbraw/zinc/52/79/74/590527974.db2.gz AWLKHNWLMDWZAT-UHFFFAOYSA-N 1 2 227.268 -0.444 20 0 BBADLO COC(=O)C(C)(C)[N@H+](C)CCn1cnnn1 ZINC000878239092 590527971 /nfs/dbraw/zinc/52/79/71/590527971.db2.gz AWLKHNWLMDWZAT-UHFFFAOYSA-N 1 2 227.268 -0.444 20 0 BBADLO Cc1nc(C(C)(C)[NH2+]CCn2cnnn2)no1 ZINC000878240133 590527885 /nfs/dbraw/zinc/52/78/85/590527885.db2.gz YYVLNZKDECWCOG-UHFFFAOYSA-N 1 2 237.267 -0.111 20 0 BBADLO COC(=O)C(C)(C)[N@@H+](C)CCc1nnnn1C ZINC000878240492 590528176 /nfs/dbraw/zinc/52/81/76/590528176.db2.gz RTJCIYPQKCDNKC-UHFFFAOYSA-N 1 2 241.295 -0.364 20 0 BBADLO COC(=O)C(C)(C)[N@H+](C)CCc1nnnn1C ZINC000878240492 590528172 /nfs/dbraw/zinc/52/81/72/590528172.db2.gz RTJCIYPQKCDNKC-UHFFFAOYSA-N 1 2 241.295 -0.364 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+](C)CCn1cnnn1 ZINC000878244887 590528616 /nfs/dbraw/zinc/52/86/16/590528616.db2.gz VLPXEPZOYDIDQO-QMMMGPOBSA-N 1 2 227.268 -0.444 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+](C)CCn1cnnn1 ZINC000878244887 590528615 /nfs/dbraw/zinc/52/86/15/590528615.db2.gz VLPXEPZOYDIDQO-QMMMGPOBSA-N 1 2 227.268 -0.444 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+](C)CCc1nnnn1C ZINC000878244915 590528097 /nfs/dbraw/zinc/52/80/97/590528097.db2.gz WKDDBJZNUAVTPU-QMMMGPOBSA-N 1 2 241.295 -0.364 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+](C)CCc1nnnn1C ZINC000878244915 590528095 /nfs/dbraw/zinc/52/80/95/590528095.db2.gz WKDDBJZNUAVTPU-QMMMGPOBSA-N 1 2 241.295 -0.364 20 0 BBADLO COC(=O)[C@@H]([NH2+]CCn1cnnn1)C(C)(C)C ZINC000878265823 590531283 /nfs/dbraw/zinc/53/12/83/590531283.db2.gz WINJUGPUMXSGSV-MRVPVSSYSA-N 1 2 241.295 -0.150 20 0 BBADLO COC(=O)[C@H]([NH2+]CCn1cnnn1)C(C)(C)C ZINC000878265824 590531948 /nfs/dbraw/zinc/53/19/48/590531948.db2.gz WINJUGPUMXSGSV-QMMMGPOBSA-N 1 2 241.295 -0.150 20 0 BBADLO c1n[nH]c2c1CC[N@H+](CCn1cnnn1)C2 ZINC000878292144 590535703 /nfs/dbraw/zinc/53/57/03/590535703.db2.gz VWAALCYKMCTOFO-UHFFFAOYSA-N 1 2 219.252 -0.546 20 0 BBADLO c1n[nH]c2c1CC[N@@H+](CCn1cnnn1)C2 ZINC000878292144 590535702 /nfs/dbraw/zinc/53/57/02/590535702.db2.gz VWAALCYKMCTOFO-UHFFFAOYSA-N 1 2 219.252 -0.546 20 0 BBADLO CC[N@@H+](CCn1cnnn1)CCS(C)(=O)=O ZINC000878295956 590536723 /nfs/dbraw/zinc/53/67/23/590536723.db2.gz YCVGANQBXLHMMU-UHFFFAOYSA-N 1 2 247.324 -0.960 20 0 BBADLO CC[N@H+](CCn1cnnn1)CCS(C)(=O)=O ZINC000878295956 590536722 /nfs/dbraw/zinc/53/67/22/590536722.db2.gz YCVGANQBXLHMMU-UHFFFAOYSA-N 1 2 247.324 -0.960 20 0 BBADLO COC(=O)C1([NH2+]CCn2cnnn2)CCCC1 ZINC000878305024 590538614 /nfs/dbraw/zinc/53/86/14/590538614.db2.gz QWPYNKLKFCBIEG-UHFFFAOYSA-N 1 2 239.279 -0.252 20 0 BBADLO CCS(=O)(=O)CC[N@@H+](C)CCn1cnnn1 ZINC000878305813 590538402 /nfs/dbraw/zinc/53/84/02/590538402.db2.gz IQRVBRLQRPMRTQ-UHFFFAOYSA-N 1 2 247.324 -0.960 20 0 BBADLO CCS(=O)(=O)CC[N@H+](C)CCn1cnnn1 ZINC000878305813 590538400 /nfs/dbraw/zinc/53/84/00/590538400.db2.gz IQRVBRLQRPMRTQ-UHFFFAOYSA-N 1 2 247.324 -0.960 20 0 BBADLO C[N@@H+](CCn1cnnn1)Cc1ncc[nH]1 ZINC000878315184 590541756 /nfs/dbraw/zinc/54/17/56/590541756.db2.gz IHFKBXSFEGCTSE-UHFFFAOYSA-N 1 2 207.241 -0.472 20 0 BBADLO C[N@H+](CCn1cnnn1)Cc1ncc[nH]1 ZINC000878315184 590541755 /nfs/dbraw/zinc/54/17/55/590541755.db2.gz IHFKBXSFEGCTSE-UHFFFAOYSA-N 1 2 207.241 -0.472 20 0 BBADLO CN(CCn1cnnn1)Cc1[nH]cc[nH+]1 ZINC000878315184 590541754 /nfs/dbraw/zinc/54/17/54/590541754.db2.gz IHFKBXSFEGCTSE-UHFFFAOYSA-N 1 2 207.241 -0.472 20 0 BBADLO Cn1nnnc1CC[N@@H+](C)Cc1ncc[nH]1 ZINC000878315237 590542107 /nfs/dbraw/zinc/54/21/07/590542107.db2.gz JUMBYUKYQSSTHX-UHFFFAOYSA-N 1 2 221.268 -0.392 20 0 BBADLO Cn1nnnc1CC[N@H+](C)Cc1ncc[nH]1 ZINC000878315237 590542105 /nfs/dbraw/zinc/54/21/05/590542105.db2.gz JUMBYUKYQSSTHX-UHFFFAOYSA-N 1 2 221.268 -0.392 20 0 BBADLO C[C@@H]1CN(CC(=O)N=S(C)(C)=O)CC[N@H+]1C ZINC000878315984 590541860 /nfs/dbraw/zinc/54/18/60/590541860.db2.gz DYSVJAPNOMJORQ-SECBINFHSA-N 1 2 247.364 -0.124 20 0 BBADLO C[C@@H]1CN(CC(=O)N=S(C)(C)=O)CC[N@@H+]1C ZINC000878315984 590541859 /nfs/dbraw/zinc/54/18/59/590541859.db2.gz DYSVJAPNOMJORQ-SECBINFHSA-N 1 2 247.364 -0.124 20 0 BBADLO C[C@H]1CN(CC(=O)N=S(C)(C)=O)CC[N@H+]1C ZINC000878315986 590541629 /nfs/dbraw/zinc/54/16/29/590541629.db2.gz DYSVJAPNOMJORQ-VIFPVBQESA-N 1 2 247.364 -0.124 20 0 BBADLO C[C@H]1CN(CC(=O)N=S(C)(C)=O)CC[N@@H+]1C ZINC000878315986 590541628 /nfs/dbraw/zinc/54/16/28/590541628.db2.gz DYSVJAPNOMJORQ-VIFPVBQESA-N 1 2 247.364 -0.124 20 0 BBADLO CCN(C#N)CC[N@H+]1CCOC[C@H]1CCO ZINC000878316860 590542869 /nfs/dbraw/zinc/54/28/69/590542869.db2.gz CPXCXCPWAIKBBR-LLVKDONJSA-N 1 2 227.308 -0.127 20 0 BBADLO CCN(C#N)CC[N@@H+]1CCOC[C@H]1CCO ZINC000878316860 590542868 /nfs/dbraw/zinc/54/28/68/590542868.db2.gz CPXCXCPWAIKBBR-LLVKDONJSA-N 1 2 227.308 -0.127 20 0 BBADLO CCN(C#N)CC[N@H+]1CCOC[C@@H]1CCO ZINC000878316866 590543211 /nfs/dbraw/zinc/54/32/11/590543211.db2.gz CPXCXCPWAIKBBR-NSHDSACASA-N 1 2 227.308 -0.127 20 0 BBADLO CCN(C#N)CC[N@@H+]1CCOC[C@@H]1CCO ZINC000878316866 590543208 /nfs/dbraw/zinc/54/32/08/590543208.db2.gz CPXCXCPWAIKBBR-NSHDSACASA-N 1 2 227.308 -0.127 20 0 BBADLO CCC[C@@H]1C(=O)NCC[N@@H+]1CCn1cnnn1 ZINC000878327749 590547129 /nfs/dbraw/zinc/54/71/29/590547129.db2.gz REMZRMZMTFBLDV-SECBINFHSA-N 1 2 238.295 -0.726 20 0 BBADLO CCC[C@@H]1C(=O)NCC[N@H+]1CCn1cnnn1 ZINC000878327749 590547127 /nfs/dbraw/zinc/54/71/27/590547127.db2.gz REMZRMZMTFBLDV-SECBINFHSA-N 1 2 238.295 -0.726 20 0 BBADLO CCC[C@H]1C(=O)NCC[N@@H+]1CCn1cnnn1 ZINC000878327750 590547555 /nfs/dbraw/zinc/54/75/55/590547555.db2.gz REMZRMZMTFBLDV-VIFPVBQESA-N 1 2 238.295 -0.726 20 0 BBADLO CCC[C@H]1C(=O)NCC[N@H+]1CCn1cnnn1 ZINC000878327750 590547554 /nfs/dbraw/zinc/54/75/54/590547554.db2.gz REMZRMZMTFBLDV-VIFPVBQESA-N 1 2 238.295 -0.726 20 0 BBADLO COC(=O)[C@@](C)([NH2+]CCn1cnnn1)C1CC1 ZINC000878331266 590548842 /nfs/dbraw/zinc/54/88/42/590548842.db2.gz UJQYMDRXRUVYJR-JTQLQIEISA-N 1 2 239.279 -0.396 20 0 BBADLO COC(=O)[C@](C)([NH2+]CCn1cnnn1)C1CC1 ZINC000878331267 590548282 /nfs/dbraw/zinc/54/82/82/590548282.db2.gz UJQYMDRXRUVYJR-SNVBAGLBSA-N 1 2 239.279 -0.396 20 0 BBADLO CC[C@@](C)([NH2+]CCn1cnnn1)C(=O)OC ZINC000878333597 590548364 /nfs/dbraw/zinc/54/83/64/590548364.db2.gz YWSHTTSPGWUFAC-SECBINFHSA-N 1 2 227.268 -0.396 20 0 BBADLO CC[C@](C)([NH2+]CCn1cnnn1)C(=O)OC ZINC000878333598 590548488 /nfs/dbraw/zinc/54/84/88/590548488.db2.gz YWSHTTSPGWUFAC-VIFPVBQESA-N 1 2 227.268 -0.396 20 0 BBADLO CC[C@](C)([NH2+]CCc1nnnn1C)C(=O)OC ZINC000878333644 590548532 /nfs/dbraw/zinc/54/85/32/590548532.db2.gz ZUBVJIZSKWRVGZ-JTQLQIEISA-N 1 2 241.295 -0.316 20 0 BBADLO CC[C@@](C)([NH2+]CCc1nnnn1C)C(=O)OC ZINC000878333645 590548637 /nfs/dbraw/zinc/54/86/37/590548637.db2.gz ZUBVJIZSKWRVGZ-SNVBAGLBSA-N 1 2 241.295 -0.316 20 0 BBADLO Cc1cccnc1NC(=O)C[NH2+]C1(C(N)=O)CC1 ZINC000878386084 590558555 /nfs/dbraw/zinc/55/85/55/590558555.db2.gz VCBCOKRXZMWROP-UHFFFAOYSA-N 1 2 248.286 -0.064 20 0 BBADLO CC(C)N1CC[N@@H+](CCn2cnnn2)CC1=O ZINC000878392543 590558671 /nfs/dbraw/zinc/55/86/71/590558671.db2.gz VQJGGLKYOFNGAO-UHFFFAOYSA-N 1 2 238.295 -0.774 20 0 BBADLO CC(C)N1CC[N@H+](CCn2cnnn2)CC1=O ZINC000878392543 590558669 /nfs/dbraw/zinc/55/86/69/590558669.db2.gz VQJGGLKYOFNGAO-UHFFFAOYSA-N 1 2 238.295 -0.774 20 0 BBADLO CC(C)[C@@H](CO)[NH2+]CC(=O)N=S(C)(C)=O ZINC000878394803 590558445 /nfs/dbraw/zinc/55/84/45/590558445.db2.gz IMGKPFKGWNHIMW-MRVPVSSYSA-N 1 2 236.337 -0.153 20 0 BBADLO COC(C[N@@H+](CCCO)CC(C)=O)OC ZINC000878397112 590559808 /nfs/dbraw/zinc/55/98/08/590559808.db2.gz QKJTZANVUGRJKP-UHFFFAOYSA-N 1 2 219.281 -0.121 20 0 BBADLO COC(C[N@H+](CCCO)CC(C)=O)OC ZINC000878397112 590559805 /nfs/dbraw/zinc/55/98/05/590559805.db2.gz QKJTZANVUGRJKP-UHFFFAOYSA-N 1 2 219.281 -0.121 20 0 BBADLO COC(=O)[C@H]([NH2+]CCc1nnnn1C)C(C)C ZINC000878415895 590562740 /nfs/dbraw/zinc/56/27/40/590562740.db2.gz XIPKEYJEAXZAQG-SECBINFHSA-N 1 2 241.295 -0.460 20 0 BBADLO COC(=O)[C@@H]([NH2+]CCc1nnnn1C)C(C)C ZINC000878415896 590562712 /nfs/dbraw/zinc/56/27/12/590562712.db2.gz XIPKEYJEAXZAQG-VIFPVBQESA-N 1 2 241.295 -0.460 20 0 BBADLO C[N@H+]1CCn2nc(NC(=O)NCCO)cc2C1 ZINC000878417235 590563310 /nfs/dbraw/zinc/56/33/10/590563310.db2.gz HBKAHRRPGHGGQU-UHFFFAOYSA-N 1 2 239.279 -0.558 20 0 BBADLO C[N@@H+]1CCn2nc(NC(=O)NCCO)cc2C1 ZINC000878417235 590563309 /nfs/dbraw/zinc/56/33/09/590563309.db2.gz HBKAHRRPGHGGQU-UHFFFAOYSA-N 1 2 239.279 -0.558 20 0 BBADLO Cc1noc([C@H](C)[NH2+]CCn2cnnn2)n1 ZINC000878417301 590563559 /nfs/dbraw/zinc/56/35/59/590563559.db2.gz IXSYLNYFZKNYCH-LURJTMIESA-N 1 2 223.240 -0.285 20 0 BBADLO Cc1noc([C@@H](C)[NH2+]CCn2cnnn2)n1 ZINC000878417302 590563421 /nfs/dbraw/zinc/56/34/21/590563421.db2.gz IXSYLNYFZKNYCH-ZCFIWIBFSA-N 1 2 223.240 -0.285 20 0 BBADLO CC[C@H](C)[C@H]([NH2+]CCn1cnnn1)C(=O)OC ZINC000878417997 590563426 /nfs/dbraw/zinc/56/34/26/590563426.db2.gz STPGRZGIJSRWKK-IUCAKERBSA-N 1 2 241.295 -0.150 20 0 BBADLO C[C@@H]([NH2+]CC(=O)N=S(C)(C)=O)[C@H](C)CO ZINC000878419862 590564328 /nfs/dbraw/zinc/56/43/28/590564328.db2.gz JLBYEHJYPSPDIK-HTQZYQBOSA-N 1 2 236.337 -0.153 20 0 BBADLO C[C@@H](CO)[C@@H](C)[NH2+]CC(=O)N=S(C)(C)=O ZINC000878419863 590564394 /nfs/dbraw/zinc/56/43/94/590564394.db2.gz JLBYEHJYPSPDIK-JGVFFNPUSA-N 1 2 236.337 -0.153 20 0 BBADLO C[C@H](CO)[C@H](C)[NH2+]CC(=O)N=S(C)(C)=O ZINC000878419864 590564183 /nfs/dbraw/zinc/56/41/83/590564183.db2.gz JLBYEHJYPSPDIK-SFYZADRCSA-N 1 2 236.337 -0.153 20 0 BBADLO C[C@@H](CO)[C@H](C)[NH2+]CC(=O)N=S(C)(C)=O ZINC000878419865 590563971 /nfs/dbraw/zinc/56/39/71/590563971.db2.gz JLBYEHJYPSPDIK-YUMQZZPRSA-N 1 2 236.337 -0.153 20 0 BBADLO CCC(CC)([NH2+]CCn1cnnn1)C(=O)OC ZINC000878423858 590565321 /nfs/dbraw/zinc/56/53/21/590565321.db2.gz XFSPXTVCSVGPLT-UHFFFAOYSA-N 1 2 241.295 -0.006 20 0 BBADLO CCN1CC[N@@H+](C[C@@H](O)CC(C)(C)O)CC1=O ZINC000878428772 590566460 /nfs/dbraw/zinc/56/64/60/590566460.db2.gz WLLWWMBWFQQXAI-JTQLQIEISA-N 1 2 244.335 -0.328 20 0 BBADLO CCN1CC[N@H+](C[C@@H](O)CC(C)(C)O)CC1=O ZINC000878428772 590566459 /nfs/dbraw/zinc/56/64/59/590566459.db2.gz WLLWWMBWFQQXAI-JTQLQIEISA-N 1 2 244.335 -0.328 20 0 BBADLO CCN1CC[N@@H+](C[C@H](O)CC(C)(C)O)CC1=O ZINC000878428779 590566714 /nfs/dbraw/zinc/56/67/14/590566714.db2.gz WLLWWMBWFQQXAI-SNVBAGLBSA-N 1 2 244.335 -0.328 20 0 BBADLO CCN1CC[N@H+](C[C@H](O)CC(C)(C)O)CC1=O ZINC000878428779 590566711 /nfs/dbraw/zinc/56/67/11/590566711.db2.gz WLLWWMBWFQQXAI-SNVBAGLBSA-N 1 2 244.335 -0.328 20 0 BBADLO C[C@@H]1C[N@@H+](CCc2nnnn2C)CCC1=O ZINC000878456753 590570856 /nfs/dbraw/zinc/57/08/56/590570856.db2.gz SCPWQEKTXQUYDF-MRVPVSSYSA-N 1 2 223.280 -0.337 20 0 BBADLO C[C@@H]1C[N@H+](CCc2nnnn2C)CCC1=O ZINC000878456753 590570852 /nfs/dbraw/zinc/57/08/52/590570852.db2.gz SCPWQEKTXQUYDF-MRVPVSSYSA-N 1 2 223.280 -0.337 20 0 BBADLO C[C@H]1C[N@@H+](CCc2nnnn2C)CCC1=O ZINC000878456756 590570129 /nfs/dbraw/zinc/57/01/29/590570129.db2.gz SCPWQEKTXQUYDF-QMMMGPOBSA-N 1 2 223.280 -0.337 20 0 BBADLO C[C@H]1C[N@H+](CCc2nnnn2C)CCC1=O ZINC000878456756 590570127 /nfs/dbraw/zinc/57/01/27/590570127.db2.gz SCPWQEKTXQUYDF-QMMMGPOBSA-N 1 2 223.280 -0.337 20 0 BBADLO O=C1OCC[C@@]12CCC[N@H+]2CCn1cnnn1 ZINC000878463485 590571639 /nfs/dbraw/zinc/57/16/39/590571639.db2.gz AWAQBYXBQVMZRT-JTQLQIEISA-N 1 2 237.263 -0.545 20 0 BBADLO O=C1OCC[C@@]12CCC[N@@H+]2CCn1cnnn1 ZINC000878463485 590571636 /nfs/dbraw/zinc/57/16/36/590571636.db2.gz AWAQBYXBQVMZRT-JTQLQIEISA-N 1 2 237.263 -0.545 20 0 BBADLO O=C1OCC[C@]12CCC[N@H+]2CCn1cnnn1 ZINC000878463486 590571445 /nfs/dbraw/zinc/57/14/45/590571445.db2.gz AWAQBYXBQVMZRT-SNVBAGLBSA-N 1 2 237.263 -0.545 20 0 BBADLO O=C1OCC[C@]12CCC[N@@H+]2CCn1cnnn1 ZINC000878463486 590571443 /nfs/dbraw/zinc/57/14/43/590571443.db2.gz AWAQBYXBQVMZRT-SNVBAGLBSA-N 1 2 237.263 -0.545 20 0 BBADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1C[C@H](O)CC(C)(C)O ZINC000878464521 590572044 /nfs/dbraw/zinc/57/20/44/590572044.db2.gz ZQDBUGQSFUUEBV-NXEZZACHSA-N 1 2 244.335 -0.329 20 0 BBADLO C[C@@H]1C(=O)N(C)CC[N@H+]1C[C@H](O)CC(C)(C)O ZINC000878464521 590572042 /nfs/dbraw/zinc/57/20/42/590572042.db2.gz ZQDBUGQSFUUEBV-NXEZZACHSA-N 1 2 244.335 -0.329 20 0 BBADLO C[C@H]1C(=O)N(C)CC[N@@H+]1C[C@@H](O)CC(C)(C)O ZINC000878464522 590571579 /nfs/dbraw/zinc/57/15/79/590571579.db2.gz ZQDBUGQSFUUEBV-UWVGGRQHSA-N 1 2 244.335 -0.329 20 0 BBADLO C[C@H]1C(=O)N(C)CC[N@H+]1C[C@@H](O)CC(C)(C)O ZINC000878464522 590571577 /nfs/dbraw/zinc/57/15/77/590571577.db2.gz ZQDBUGQSFUUEBV-UWVGGRQHSA-N 1 2 244.335 -0.329 20 0 BBADLO C[C@H]1C(=O)N(C)CC[N@@H+]1C[C@H](O)CC(C)(C)O ZINC000878464523 590572207 /nfs/dbraw/zinc/57/22/07/590572207.db2.gz ZQDBUGQSFUUEBV-VHSXEESVSA-N 1 2 244.335 -0.329 20 0 BBADLO C[C@H]1C(=O)N(C)CC[N@H+]1C[C@H](O)CC(C)(C)O ZINC000878464523 590572205 /nfs/dbraw/zinc/57/22/05/590572205.db2.gz ZQDBUGQSFUUEBV-VHSXEESVSA-N 1 2 244.335 -0.329 20 0 BBADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1C[C@@H](O)CC(C)(C)O ZINC000878464524 590571172 /nfs/dbraw/zinc/57/11/72/590571172.db2.gz ZQDBUGQSFUUEBV-ZJUUUORDSA-N 1 2 244.335 -0.329 20 0 BBADLO C[C@@H]1C(=O)N(C)CC[N@H+]1C[C@@H](O)CC(C)(C)O ZINC000878464524 590571170 /nfs/dbraw/zinc/57/11/70/590571170.db2.gz ZQDBUGQSFUUEBV-ZJUUUORDSA-N 1 2 244.335 -0.329 20 0 BBADLO COC(=O)[C@H]([NH2+]CCn1cnnn1)C1CC1 ZINC000878476099 590574408 /nfs/dbraw/zinc/57/44/08/590574408.db2.gz WOPQOPKMAUSWGR-MRVPVSSYSA-N 1 2 225.252 -0.786 20 0 BBADLO COC(=O)[C@@H]([NH2+]CCn1cnnn1)C1CC1 ZINC000878476100 590574526 /nfs/dbraw/zinc/57/45/26/590574526.db2.gz WOPQOPKMAUSWGR-QMMMGPOBSA-N 1 2 225.252 -0.786 20 0 BBADLO CC1(C)C[S@@](=O)CC[N@H+]1CCn1cnnn1 ZINC000878476785 590574721 /nfs/dbraw/zinc/57/47/21/590574721.db2.gz PTVVZPCVAMYHGQ-INIZCTEOSA-N 1 2 243.336 -0.484 20 0 BBADLO CC1(C)C[S@@](=O)CC[N@@H+]1CCn1cnnn1 ZINC000878476785 590574720 /nfs/dbraw/zinc/57/47/20/590574720.db2.gz PTVVZPCVAMYHGQ-INIZCTEOSA-N 1 2 243.336 -0.484 20 0 BBADLO CC1(C)C[S@](=O)CC[N@H+]1CCn1cnnn1 ZINC000878476786 590575218 /nfs/dbraw/zinc/57/52/18/590575218.db2.gz PTVVZPCVAMYHGQ-MRXNPFEDSA-N 1 2 243.336 -0.484 20 0 BBADLO CC1(C)C[S@](=O)CC[N@@H+]1CCn1cnnn1 ZINC000878476786 590575216 /nfs/dbraw/zinc/57/52/16/590575216.db2.gz PTVVZPCVAMYHGQ-MRXNPFEDSA-N 1 2 243.336 -0.484 20 0 BBADLO C[C@@H]1CN(C)C(=O)C[N@H+]1C[C@H](O)CC(C)(C)O ZINC000878481380 590576798 /nfs/dbraw/zinc/57/67/98/590576798.db2.gz COARPQUDMAXFOO-NXEZZACHSA-N 1 2 244.335 -0.329 20 0 BBADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1C[C@H](O)CC(C)(C)O ZINC000878481380 590576797 /nfs/dbraw/zinc/57/67/97/590576797.db2.gz COARPQUDMAXFOO-NXEZZACHSA-N 1 2 244.335 -0.329 20 0 BBADLO C[C@H]1CN(C)C(=O)C[N@H+]1C[C@@H](O)CC(C)(C)O ZINC000878481382 590576049 /nfs/dbraw/zinc/57/60/49/590576049.db2.gz COARPQUDMAXFOO-UWVGGRQHSA-N 1 2 244.335 -0.329 20 0 BBADLO C[C@H]1CN(C)C(=O)C[N@@H+]1C[C@@H](O)CC(C)(C)O ZINC000878481382 590576046 /nfs/dbraw/zinc/57/60/46/590576046.db2.gz COARPQUDMAXFOO-UWVGGRQHSA-N 1 2 244.335 -0.329 20 0 BBADLO C[C@H]1CN(C)C(=O)C[N@H+]1C[C@H](O)CC(C)(C)O ZINC000878481384 590576420 /nfs/dbraw/zinc/57/64/20/590576420.db2.gz COARPQUDMAXFOO-VHSXEESVSA-N 1 2 244.335 -0.329 20 0 BBADLO C[C@H]1CN(C)C(=O)C[N@@H+]1C[C@H](O)CC(C)(C)O ZINC000878481384 590576418 /nfs/dbraw/zinc/57/64/18/590576418.db2.gz COARPQUDMAXFOO-VHSXEESVSA-N 1 2 244.335 -0.329 20 0 BBADLO C[C@@H]1CN(C)C(=O)C[N@H+]1C[C@@H](O)CC(C)(C)O ZINC000878481386 590576025 /nfs/dbraw/zinc/57/60/25/590576025.db2.gz COARPQUDMAXFOO-ZJUUUORDSA-N 1 2 244.335 -0.329 20 0 BBADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1C[C@@H](O)CC(C)(C)O ZINC000878481386 590576023 /nfs/dbraw/zinc/57/60/23/590576023.db2.gz COARPQUDMAXFOO-ZJUUUORDSA-N 1 2 244.335 -0.329 20 0 BBADLO C[C@@H]1CN(C)C(=O)C[N@H+]1C[C@H]1CCc2ncnn21 ZINC000878481499 590576707 /nfs/dbraw/zinc/57/67/07/590576707.db2.gz FBTQZNIPIPQZHE-NXEZZACHSA-N 1 2 249.318 -0.072 20 0 BBADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1C[C@H]1CCc2ncnn21 ZINC000878481499 590576705 /nfs/dbraw/zinc/57/67/05/590576705.db2.gz FBTQZNIPIPQZHE-NXEZZACHSA-N 1 2 249.318 -0.072 20 0 BBADLO C[C@H]1CN(C)C(=O)C[N@H+]1C[C@@H]1CCc2ncnn21 ZINC000878481500 590576441 /nfs/dbraw/zinc/57/64/41/590576441.db2.gz FBTQZNIPIPQZHE-UWVGGRQHSA-N 1 2 249.318 -0.072 20 0 BBADLO C[C@H]1CN(C)C(=O)C[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC000878481500 590576440 /nfs/dbraw/zinc/57/64/40/590576440.db2.gz FBTQZNIPIPQZHE-UWVGGRQHSA-N 1 2 249.318 -0.072 20 0 BBADLO C[C@H]1CN(C)C(=O)C[N@H+]1C[C@H]1CCc2ncnn21 ZINC000878481501 590576290 /nfs/dbraw/zinc/57/62/90/590576290.db2.gz FBTQZNIPIPQZHE-VHSXEESVSA-N 1 2 249.318 -0.072 20 0 BBADLO C[C@H]1CN(C)C(=O)C[N@@H+]1C[C@H]1CCc2ncnn21 ZINC000878481501 590576289 /nfs/dbraw/zinc/57/62/89/590576289.db2.gz FBTQZNIPIPQZHE-VHSXEESVSA-N 1 2 249.318 -0.072 20 0 BBADLO C[C@@H]1CN(C)C(=O)C[N@H+]1C[C@@H]1CCc2ncnn21 ZINC000878481502 590576483 /nfs/dbraw/zinc/57/64/83/590576483.db2.gz FBTQZNIPIPQZHE-ZJUUUORDSA-N 1 2 249.318 -0.072 20 0 BBADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC000878481502 590576482 /nfs/dbraw/zinc/57/64/82/590576482.db2.gz FBTQZNIPIPQZHE-ZJUUUORDSA-N 1 2 249.318 -0.072 20 0 BBADLO Cn1nnc(C(=O)N2CC[NH+](C3CC3)CC2)n1 ZINC000878489983 590578982 /nfs/dbraw/zinc/57/89/82/590578982.db2.gz WVDKVPCDPSEAGI-UHFFFAOYSA-N 1 2 236.279 -0.870 20 0 BBADLO CC(C)(O)C[C@@H](O)C[N@H+]1CCc2nn[nH]c2C1 ZINC000878491546 645815197 /nfs/dbraw/zinc/81/51/97/645815197.db2.gz NRSOJWOKJYCHTP-MRVPVSSYSA-N 1 2 240.307 -0.315 20 0 BBADLO CC(C)(O)C[C@@H](O)C[N@@H+]1CCc2nn[nH]c2C1 ZINC000878491546 645815195 /nfs/dbraw/zinc/81/51/95/645815195.db2.gz NRSOJWOKJYCHTP-MRVPVSSYSA-N 1 2 240.307 -0.315 20 0 BBADLO CC(C)(O)C[C@H](O)C[N@H+]1CCc2nn[nH]c2C1 ZINC000878491547 645815932 /nfs/dbraw/zinc/81/59/32/645815932.db2.gz NRSOJWOKJYCHTP-QMMMGPOBSA-N 1 2 240.307 -0.315 20 0 BBADLO CC(C)(O)C[C@H](O)C[N@@H+]1CCc2nn[nH]c2C1 ZINC000878491547 645815928 /nfs/dbraw/zinc/81/59/28/645815928.db2.gz NRSOJWOKJYCHTP-QMMMGPOBSA-N 1 2 240.307 -0.315 20 0 BBADLO C[C@@H]1C[N@H+](CCn2cnnn2)C[C@H](C)[S@@]1=O ZINC000878503757 590581490 /nfs/dbraw/zinc/58/14/90/590581490.db2.gz RXGYDXXHUIGBIB-PHSVNERMSA-N 1 2 243.336 -0.486 20 0 BBADLO C[C@@H]1C[N@@H+](CCn2cnnn2)C[C@H](C)[S@@]1=O ZINC000878503757 590581487 /nfs/dbraw/zinc/58/14/87/590581487.db2.gz RXGYDXXHUIGBIB-PHSVNERMSA-N 1 2 243.336 -0.486 20 0 BBADLO C[C@H]1C[NH+](CCn2cnnn2)C[C@H](C)S1=O ZINC000878503759 590581365 /nfs/dbraw/zinc/58/13/65/590581365.db2.gz RXGYDXXHUIGBIB-IUCAKERBSA-N 1 2 243.336 -0.486 20 0 BBADLO C[C@@H]1C[NH+](CCn2cnnn2)C[C@@H](C)S1=O ZINC000878503761 590581680 /nfs/dbraw/zinc/58/16/80/590581680.db2.gz RXGYDXXHUIGBIB-RKDXNWHRSA-N 1 2 243.336 -0.486 20 0 BBADLO C[C@@H]1CC[N@@H+](CCn2cnnn2)CC[S@]1=O ZINC000878511695 590584148 /nfs/dbraw/zinc/58/41/48/590584148.db2.gz GSTPTQAVTWYCOV-JDNHERCYSA-N 1 2 243.336 -0.484 20 0 BBADLO C[C@@H]1CC[N@H+](CCn2cnnn2)CC[S@]1=O ZINC000878511695 590584147 /nfs/dbraw/zinc/58/41/47/590584147.db2.gz GSTPTQAVTWYCOV-JDNHERCYSA-N 1 2 243.336 -0.484 20 0 BBADLO C[C@H]1CC[N@@H+](CCn2cnnn2)CC[S@]1=O ZINC000878511696 590583517 /nfs/dbraw/zinc/58/35/17/590583517.db2.gz GSTPTQAVTWYCOV-XXFAHNHDSA-N 1 2 243.336 -0.484 20 0 BBADLO C[C@H]1CC[N@H+](CCn2cnnn2)CC[S@]1=O ZINC000878511696 590583515 /nfs/dbraw/zinc/58/35/15/590583515.db2.gz GSTPTQAVTWYCOV-XXFAHNHDSA-N 1 2 243.336 -0.484 20 0 BBADLO C[C@@H]1CC[N@@H+](CCn2cnnn2)CC[S@@]1=O ZINC000878511697 590584109 /nfs/dbraw/zinc/58/41/09/590584109.db2.gz GSTPTQAVTWYCOV-ABKXIKBNSA-N 1 2 243.336 -0.484 20 0 BBADLO C[C@@H]1CC[N@H+](CCn2cnnn2)CC[S@@]1=O ZINC000878511697 590584108 /nfs/dbraw/zinc/58/41/08/590584108.db2.gz GSTPTQAVTWYCOV-ABKXIKBNSA-N 1 2 243.336 -0.484 20 0 BBADLO C[C@H]1CC[N@@H+](CCn2cnnn2)CC[S@@]1=O ZINC000878511698 590583840 /nfs/dbraw/zinc/58/38/40/590583840.db2.gz GSTPTQAVTWYCOV-FVMDXXJSSA-N 1 2 243.336 -0.484 20 0 BBADLO C[C@H]1CC[N@H+](CCn2cnnn2)CC[S@@]1=O ZINC000878511698 590583838 /nfs/dbraw/zinc/58/38/38/590583838.db2.gz GSTPTQAVTWYCOV-FVMDXXJSSA-N 1 2 243.336 -0.484 20 0 BBADLO C[C@@H]1C[N@@H+](CCn2cnnn2)CC[S@](=O)C1 ZINC000878512708 590583976 /nfs/dbraw/zinc/58/39/76/590583976.db2.gz DKUHTQYZLLPXJW-ABKXIKBNSA-N 1 2 243.336 -0.627 20 0 BBADLO C[C@@H]1C[N@H+](CCn2cnnn2)CC[S@](=O)C1 ZINC000878512708 590583973 /nfs/dbraw/zinc/58/39/73/590583973.db2.gz DKUHTQYZLLPXJW-ABKXIKBNSA-N 1 2 243.336 -0.627 20 0 BBADLO C[C@H]1C[N@@H+](CCn2cnnn2)CC[S@](=O)C1 ZINC000878512713 590583581 /nfs/dbraw/zinc/58/35/81/590583581.db2.gz DKUHTQYZLLPXJW-FVMDXXJSSA-N 1 2 243.336 -0.627 20 0 BBADLO C[C@H]1C[N@H+](CCn2cnnn2)CC[S@](=O)C1 ZINC000878512713 590583579 /nfs/dbraw/zinc/58/35/79/590583579.db2.gz DKUHTQYZLLPXJW-FVMDXXJSSA-N 1 2 243.336 -0.627 20 0 BBADLO C[C@@H]1C[N@@H+](CCn2cnnn2)CC[S@@](=O)C1 ZINC000878512715 590583913 /nfs/dbraw/zinc/58/39/13/590583913.db2.gz DKUHTQYZLLPXJW-JDNHERCYSA-N 1 2 243.336 -0.627 20 0 BBADLO C[C@@H]1C[N@H+](CCn2cnnn2)CC[S@@](=O)C1 ZINC000878512715 590583910 /nfs/dbraw/zinc/58/39/10/590583910.db2.gz DKUHTQYZLLPXJW-JDNHERCYSA-N 1 2 243.336 -0.627 20 0 BBADLO C[C@H]1C[N@@H+](CCn2cnnn2)CC[S@@](=O)C1 ZINC000878512717 590584241 /nfs/dbraw/zinc/58/42/41/590584241.db2.gz DKUHTQYZLLPXJW-XXFAHNHDSA-N 1 2 243.336 -0.627 20 0 BBADLO C[C@H]1C[N@H+](CCn2cnnn2)CC[S@@](=O)C1 ZINC000878512717 590584239 /nfs/dbraw/zinc/58/42/39/590584239.db2.gz DKUHTQYZLLPXJW-XXFAHNHDSA-N 1 2 243.336 -0.627 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+](C)CCn1cnnn1 ZINC000878536943 590588439 /nfs/dbraw/zinc/58/84/39/590588439.db2.gz FDJILDOYNRVFEP-SSDOTTSWSA-N 1 2 213.241 -0.834 20 0 BBADLO COC(=O)[C@@H](C)[N@H+](C)CCn1cnnn1 ZINC000878536943 590588437 /nfs/dbraw/zinc/58/84/37/590588437.db2.gz FDJILDOYNRVFEP-SSDOTTSWSA-N 1 2 213.241 -0.834 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+](C)CCc1nnnn1C ZINC000878537803 590588826 /nfs/dbraw/zinc/58/88/26/590588826.db2.gz QPJROPSMNVJSBK-SSDOTTSWSA-N 1 2 227.268 -0.754 20 0 BBADLO COC(=O)[C@@H](C)[N@H+](C)CCc1nnnn1C ZINC000878537803 590588824 /nfs/dbraw/zinc/58/88/24/590588824.db2.gz QPJROPSMNVJSBK-SSDOTTSWSA-N 1 2 227.268 -0.754 20 0 BBADLO COC(=O)[C@H](C)[N@@H+](C)CCn1cnnn1 ZINC000878545937 590589971 /nfs/dbraw/zinc/58/99/71/590589971.db2.gz FDJILDOYNRVFEP-ZETCQYMHSA-N 1 2 213.241 -0.834 20 0 BBADLO COC(=O)[C@H](C)[N@H+](C)CCn1cnnn1 ZINC000878545937 590589970 /nfs/dbraw/zinc/58/99/70/590589970.db2.gz FDJILDOYNRVFEP-ZETCQYMHSA-N 1 2 213.241 -0.834 20 0 BBADLO CC[C@@H](C)[N@@H+](CCn1cnnn1)CC(=O)OC ZINC000878550556 590590451 /nfs/dbraw/zinc/59/04/51/590590451.db2.gz YJPDIHYTOHSLMY-SECBINFHSA-N 1 2 241.295 -0.053 20 0 BBADLO CC[C@@H](C)[N@H+](CCn1cnnn1)CC(=O)OC ZINC000878550556 590590450 /nfs/dbraw/zinc/59/04/50/590590450.db2.gz YJPDIHYTOHSLMY-SECBINFHSA-N 1 2 241.295 -0.053 20 0 BBADLO CC[C@H](C)[N@@H+](CCn1cnnn1)CC(=O)OC ZINC000878550557 590590365 /nfs/dbraw/zinc/59/03/65/590590365.db2.gz YJPDIHYTOHSLMY-VIFPVBQESA-N 1 2 241.295 -0.053 20 0 BBADLO CC[C@H](C)[N@H+](CCn1cnnn1)CC(=O)OC ZINC000878550557 590590363 /nfs/dbraw/zinc/59/03/63/590590363.db2.gz YJPDIHYTOHSLMY-VIFPVBQESA-N 1 2 241.295 -0.053 20 0 BBADLO c1nnnn1CC[N@H+]1CCOC[C@@]12CCOC2 ZINC000878554392 590591588 /nfs/dbraw/zinc/59/15/88/590591588.db2.gz AZIVVUDKFFNNTG-JTQLQIEISA-N 1 2 239.279 -0.836 20 0 BBADLO c1nnnn1CC[N@@H+]1CCOC[C@@]12CCOC2 ZINC000878554392 590591587 /nfs/dbraw/zinc/59/15/87/590591587.db2.gz AZIVVUDKFFNNTG-JTQLQIEISA-N 1 2 239.279 -0.836 20 0 BBADLO c1nnnn1CC[N@H+]1CCOC[C@]12CCOC2 ZINC000878554393 590591314 /nfs/dbraw/zinc/59/13/14/590591314.db2.gz AZIVVUDKFFNNTG-SNVBAGLBSA-N 1 2 239.279 -0.836 20 0 BBADLO c1nnnn1CC[N@@H+]1CCOC[C@]12CCOC2 ZINC000878554393 590591313 /nfs/dbraw/zinc/59/13/13/590591313.db2.gz AZIVVUDKFFNNTG-SNVBAGLBSA-N 1 2 239.279 -0.836 20 0 BBADLO FC(F)[C@H]1C[N@@H+](CCn2cnnn2)CCO1 ZINC000878560919 590591971 /nfs/dbraw/zinc/59/19/71/590591971.db2.gz IPQSQKOOSKRNNQ-SSDOTTSWSA-N 1 2 233.222 -0.361 20 0 BBADLO FC(F)[C@H]1C[N@H+](CCn2cnnn2)CCO1 ZINC000878560919 590591970 /nfs/dbraw/zinc/59/19/70/590591970.db2.gz IPQSQKOOSKRNNQ-SSDOTTSWSA-N 1 2 233.222 -0.361 20 0 BBADLO FC(F)[C@@H]1C[N@@H+](CCn2cnnn2)CCO1 ZINC000878560920 590591976 /nfs/dbraw/zinc/59/19/76/590591976.db2.gz IPQSQKOOSKRNNQ-ZETCQYMHSA-N 1 2 233.222 -0.361 20 0 BBADLO FC(F)[C@@H]1C[N@H+](CCn2cnnn2)CCO1 ZINC000878560920 590591975 /nfs/dbraw/zinc/59/19/75/590591975.db2.gz IPQSQKOOSKRNNQ-ZETCQYMHSA-N 1 2 233.222 -0.361 20 0 BBADLO Cn1nnnc1CC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000878561939 590592387 /nfs/dbraw/zinc/59/23/87/590592387.db2.gz RWRCYLMDEIMZIP-SSDOTTSWSA-N 1 2 247.249 -0.282 20 0 BBADLO Cn1nnnc1CC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000878561939 590592385 /nfs/dbraw/zinc/59/23/85/590592385.db2.gz RWRCYLMDEIMZIP-SSDOTTSWSA-N 1 2 247.249 -0.282 20 0 BBADLO Cn1nnnc1CC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000878561942 590592426 /nfs/dbraw/zinc/59/24/26/590592426.db2.gz RWRCYLMDEIMZIP-ZETCQYMHSA-N 1 2 247.249 -0.282 20 0 BBADLO Cn1nnnc1CC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000878561942 590592425 /nfs/dbraw/zinc/59/24/25/590592425.db2.gz RWRCYLMDEIMZIP-ZETCQYMHSA-N 1 2 247.249 -0.282 20 0 BBADLO Cn1nnnc1CC[N@H+]1CCOCC12CC2 ZINC000878567434 590592877 /nfs/dbraw/zinc/59/28/77/590592877.db2.gz OBSIZBSSIIHCPH-UHFFFAOYSA-N 1 2 223.280 -0.383 20 0 BBADLO Cn1nnnc1CC[N@@H+]1CCOCC12CC2 ZINC000878567434 590592876 /nfs/dbraw/zinc/59/28/76/590592876.db2.gz OBSIZBSSIIHCPH-UHFFFAOYSA-N 1 2 223.280 -0.383 20 0 BBADLO c1nnnn1CC[N@H+]1CCOCC12CC2 ZINC000878567785 590592891 /nfs/dbraw/zinc/59/28/91/590592891.db2.gz SVTZZFYWDQQFBH-UHFFFAOYSA-N 1 2 209.253 -0.462 20 0 BBADLO c1nnnn1CC[N@@H+]1CCOCC12CC2 ZINC000878567785 590592890 /nfs/dbraw/zinc/59/28/90/590592890.db2.gz SVTZZFYWDQQFBH-UHFFFAOYSA-N 1 2 209.253 -0.462 20 0 BBADLO C[N@@H+](CCn1cnnn1)[C@@H]1CC(C)(C)OC1=O ZINC000878646512 645821430 /nfs/dbraw/zinc/82/14/30/645821430.db2.gz ZOAKLURFLJNBFN-MRVPVSSYSA-N 1 2 239.279 -0.301 20 0 BBADLO C[N@H+](CCn1cnnn1)[C@@H]1CC(C)(C)OC1=O ZINC000878646512 645821427 /nfs/dbraw/zinc/82/14/27/645821427.db2.gz ZOAKLURFLJNBFN-MRVPVSSYSA-N 1 2 239.279 -0.301 20 0 BBADLO C[N@@H+](CCn1cnnn1)[C@H]1CC(C)(C)OC1=O ZINC000878646513 645822130 /nfs/dbraw/zinc/82/21/30/645822130.db2.gz ZOAKLURFLJNBFN-QMMMGPOBSA-N 1 2 239.279 -0.301 20 0 BBADLO C[N@H+](CCn1cnnn1)[C@H]1CC(C)(C)OC1=O ZINC000878646513 645822127 /nfs/dbraw/zinc/82/21/27/645822127.db2.gz ZOAKLURFLJNBFN-QMMMGPOBSA-N 1 2 239.279 -0.301 20 0 BBADLO CN(CC[NH+]1CCOCC1)C(=O)COC1CC1 ZINC000878647079 590601379 /nfs/dbraw/zinc/60/13/79/590601379.db2.gz CLDOXDFDOURGOA-UHFFFAOYSA-N 1 2 242.319 -0.044 20 0 BBADLO Cn1nnnc1CC[N@@H+](C1CC1)C1COC1 ZINC000878658282 590603995 /nfs/dbraw/zinc/60/39/95/590603995.db2.gz PIMYOZLSMVKNBF-UHFFFAOYSA-N 1 2 223.280 -0.384 20 0 BBADLO Cn1nnnc1CC[N@H+](C1CC1)C1COC1 ZINC000878658282 590603994 /nfs/dbraw/zinc/60/39/94/590603994.db2.gz PIMYOZLSMVKNBF-UHFFFAOYSA-N 1 2 223.280 -0.384 20 0 BBADLO c1nnnn1CC[N@@H+](C1CC1)C1COC1 ZINC000878658995 590603795 /nfs/dbraw/zinc/60/37/95/590603795.db2.gz XBJMVINYXXMIAS-UHFFFAOYSA-N 1 2 209.253 -0.464 20 0 BBADLO c1nnnn1CC[N@H+](C1CC1)C1COC1 ZINC000878658995 590603793 /nfs/dbraw/zinc/60/37/93/590603793.db2.gz XBJMVINYXXMIAS-UHFFFAOYSA-N 1 2 209.253 -0.464 20 0 BBADLO OCC(CO)[NH2+]Cc1nc2c(o1)CCCC2 ZINC000878670772 590607271 /nfs/dbraw/zinc/60/72/71/590607271.db2.gz QMGFTHBGICJETA-UHFFFAOYSA-N 1 2 226.276 -0.004 20 0 BBADLO CC1(C)[C@H](O)C[C@H]1[NH2+]CC(=O)N=S(C)(C)=O ZINC000878672421 590607580 /nfs/dbraw/zinc/60/75/80/590607580.db2.gz GQHJCUUZJUGVSP-HTQZYQBOSA-N 1 2 248.348 -0.010 20 0 BBADLO CC1(C)[C@H](O)C[C@@H]1[NH2+]CC(=O)N=S(C)(C)=O ZINC000878672422 590607217 /nfs/dbraw/zinc/60/72/17/590607217.db2.gz GQHJCUUZJUGVSP-JGVFFNPUSA-N 1 2 248.348 -0.010 20 0 BBADLO CC1(C)[C@H]([NH2+]CC(=O)N=S(C)(C)=O)C[C@@H]1O ZINC000878672423 590607501 /nfs/dbraw/zinc/60/75/01/590607501.db2.gz GQHJCUUZJUGVSP-SFYZADRCSA-N 1 2 248.348 -0.010 20 0 BBADLO CC1(C)[C@@H](O)C[C@@H]1[NH2+]CC(=O)N=S(C)(C)=O ZINC000878672424 590607457 /nfs/dbraw/zinc/60/74/57/590607457.db2.gz GQHJCUUZJUGVSP-YUMQZZPRSA-N 1 2 248.348 -0.010 20 0 BBADLO CC(C)OC[C@@H](O)C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000878677646 590608124 /nfs/dbraw/zinc/60/81/24/590608124.db2.gz KRTDBYADJJBRDL-UWVGGRQHSA-N 1 2 230.308 -0.407 20 0 BBADLO CC(C)OC[C@@H](O)C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000878677646 590608122 /nfs/dbraw/zinc/60/81/22/590608122.db2.gz KRTDBYADJJBRDL-UWVGGRQHSA-N 1 2 230.308 -0.407 20 0 BBADLO CC(C)OC[C@@H](O)C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000878677647 590607945 /nfs/dbraw/zinc/60/79/45/590607945.db2.gz KRTDBYADJJBRDL-ZJUUUORDSA-N 1 2 230.308 -0.407 20 0 BBADLO CC(C)OC[C@@H](O)C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000878677647 590607944 /nfs/dbraw/zinc/60/79/44/590607944.db2.gz KRTDBYADJJBRDL-ZJUUUORDSA-N 1 2 230.308 -0.407 20 0 BBADLO C[C@@H]1C[N@@H+](CCN2CCOC2=O)CC(=O)N1 ZINC000878677961 590607786 /nfs/dbraw/zinc/60/77/86/590607786.db2.gz OWQJTMHTKHONEG-MRVPVSSYSA-N 1 2 227.264 -0.741 20 0 BBADLO C[C@@H]1C[N@H+](CCN2CCOC2=O)CC(=O)N1 ZINC000878677961 590607784 /nfs/dbraw/zinc/60/77/84/590607784.db2.gz OWQJTMHTKHONEG-MRVPVSSYSA-N 1 2 227.264 -0.741 20 0 BBADLO C[C@H]1C[N@@H+](CCN2CCOC2=O)CC(=O)N1 ZINC000878677962 590608062 /nfs/dbraw/zinc/60/80/62/590608062.db2.gz OWQJTMHTKHONEG-QMMMGPOBSA-N 1 2 227.264 -0.741 20 0 BBADLO C[C@H]1C[N@H+](CCN2CCOC2=O)CC(=O)N1 ZINC000878677962 590608060 /nfs/dbraw/zinc/60/80/60/590608060.db2.gz OWQJTMHTKHONEG-QMMMGPOBSA-N 1 2 227.264 -0.741 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@@H](O)CC(C)(C)O)CC(=O)N1 ZINC000878677993 590607921 /nfs/dbraw/zinc/60/79/21/590607921.db2.gz PVUUTQLKTMYRFF-BDAKNGLRSA-N 1 2 230.308 -0.671 20 0 BBADLO C[C@@H]1C[N@H+](C[C@@H](O)CC(C)(C)O)CC(=O)N1 ZINC000878677993 590607920 /nfs/dbraw/zinc/60/79/20/590607920.db2.gz PVUUTQLKTMYRFF-BDAKNGLRSA-N 1 2 230.308 -0.671 20 0 BBADLO C[C@H]1C[N@@H+](C[C@H](O)CC(C)(C)O)CC(=O)N1 ZINC000878677994 590608132 /nfs/dbraw/zinc/60/81/32/590608132.db2.gz PVUUTQLKTMYRFF-DTWKUNHWSA-N 1 2 230.308 -0.671 20 0 BBADLO C[C@H]1C[N@H+](C[C@H](O)CC(C)(C)O)CC(=O)N1 ZINC000878677994 590608130 /nfs/dbraw/zinc/60/81/30/590608130.db2.gz PVUUTQLKTMYRFF-DTWKUNHWSA-N 1 2 230.308 -0.671 20 0 BBADLO C[C@H]1C[N@@H+](C[C@@H](O)CC(C)(C)O)CC(=O)N1 ZINC000878677995 590607859 /nfs/dbraw/zinc/60/78/59/590607859.db2.gz PVUUTQLKTMYRFF-IUCAKERBSA-N 1 2 230.308 -0.671 20 0 BBADLO C[C@H]1C[N@H+](C[C@@H](O)CC(C)(C)O)CC(=O)N1 ZINC000878677995 590607858 /nfs/dbraw/zinc/60/78/58/590607858.db2.gz PVUUTQLKTMYRFF-IUCAKERBSA-N 1 2 230.308 -0.671 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@H](O)CC(C)(C)O)CC(=O)N1 ZINC000878677996 590607911 /nfs/dbraw/zinc/60/79/11/590607911.db2.gz PVUUTQLKTMYRFF-RKDXNWHRSA-N 1 2 230.308 -0.671 20 0 BBADLO C[C@@H]1C[N@H+](C[C@H](O)CC(C)(C)O)CC(=O)N1 ZINC000878677996 590607910 /nfs/dbraw/zinc/60/79/10/590607910.db2.gz PVUUTQLKTMYRFF-RKDXNWHRSA-N 1 2 230.308 -0.671 20 0 BBADLO CC(C)OC[C@H](O)C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000878679689 590608792 /nfs/dbraw/zinc/60/87/92/590608792.db2.gz KRTDBYADJJBRDL-NXEZZACHSA-N 1 2 230.308 -0.407 20 0 BBADLO CC(C)OC[C@H](O)C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000878679689 590608791 /nfs/dbraw/zinc/60/87/91/590608791.db2.gz KRTDBYADJJBRDL-NXEZZACHSA-N 1 2 230.308 -0.407 20 0 BBADLO CC(C)OC[C@H](O)C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000878679690 590608280 /nfs/dbraw/zinc/60/82/80/590608280.db2.gz KRTDBYADJJBRDL-VHSXEESVSA-N 1 2 230.308 -0.407 20 0 BBADLO CC(C)OC[C@H](O)C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000878679690 590608279 /nfs/dbraw/zinc/60/82/79/590608279.db2.gz KRTDBYADJJBRDL-VHSXEESVSA-N 1 2 230.308 -0.407 20 0 BBADLO CCN(C#N)CC[NH+]1CCN(OC)CC1 ZINC000878684992 590609267 /nfs/dbraw/zinc/60/92/67/590609267.db2.gz ACIBDWZSBXPTTK-UHFFFAOYSA-N 1 2 212.297 -0.032 20 0 BBADLO Cn1nccc1C[N@H+]1CCOC[C@@H]1CC(N)=O ZINC000878692955 590610322 /nfs/dbraw/zinc/61/03/22/590610322.db2.gz IEINYEGHJQJJTE-JTQLQIEISA-N 1 2 238.291 -0.504 20 0 BBADLO Cn1nccc1C[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC000878692955 590610321 /nfs/dbraw/zinc/61/03/21/590610321.db2.gz IEINYEGHJQJJTE-JTQLQIEISA-N 1 2 238.291 -0.504 20 0 BBADLO Cn1nccc1C[N@H+]1CCOC[C@H]1CC(N)=O ZINC000878692956 590610369 /nfs/dbraw/zinc/61/03/69/590610369.db2.gz IEINYEGHJQJJTE-SNVBAGLBSA-N 1 2 238.291 -0.504 20 0 BBADLO Cn1nccc1C[N@@H+]1CCOC[C@H]1CC(N)=O ZINC000878692956 590610368 /nfs/dbraw/zinc/61/03/68/590610368.db2.gz IEINYEGHJQJJTE-SNVBAGLBSA-N 1 2 238.291 -0.504 20 0 BBADLO COC(=O)[C@](C)(CO)[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000878699828 590611641 /nfs/dbraw/zinc/61/16/41/590611641.db2.gz IWKZIMSLDWNUQA-NGZCFLSTSA-N 1 2 231.292 -0.075 20 0 BBADLO COC(=O)[C@@](C)(CO)[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000878699829 590612068 /nfs/dbraw/zinc/61/20/68/590612068.db2.gz IWKZIMSLDWNUQA-WCABBAIRSA-N 1 2 231.292 -0.075 20 0 BBADLO COC(=O)[C@@](C)(CO)[NH2+]CC[C@H](O)C(C)C ZINC000878700815 590611827 /nfs/dbraw/zinc/61/18/27/590611827.db2.gz UUKMSIZATDLULG-GXSJLCMTSA-N 1 2 233.308 -0.093 20 0 BBADLO COC(=O)[C@](C)(CO)[NH2+]CC[C@@H](O)C(C)C ZINC000878700817 590612178 /nfs/dbraw/zinc/61/21/78/590612178.db2.gz UUKMSIZATDLULG-KOLCDFICSA-N 1 2 233.308 -0.093 20 0 BBADLO COC(=O)[C@@](C)(CO)[NH2+]CC[C@@H](O)C(C)C ZINC000878700819 590611654 /nfs/dbraw/zinc/61/16/54/590611654.db2.gz UUKMSIZATDLULG-MWLCHTKSSA-N 1 2 233.308 -0.093 20 0 BBADLO COC(=O)[C@](C)(CO)[NH2+]CC[C@H](O)C(C)C ZINC000878700821 590612163 /nfs/dbraw/zinc/61/21/63/590612163.db2.gz UUKMSIZATDLULG-ONGXEEELSA-N 1 2 233.308 -0.093 20 0 BBADLO NC(=O)CN1CC[N@@H+](CCCC2CC2)CC1=O ZINC000878703799 590612384 /nfs/dbraw/zinc/61/23/84/590612384.db2.gz RENUJUVERAEKMA-UHFFFAOYSA-N 1 2 239.319 -0.194 20 0 BBADLO NC(=O)CN1CC[N@H+](CCCC2CC2)CC1=O ZINC000878703799 590612383 /nfs/dbraw/zinc/61/23/83/590612383.db2.gz RENUJUVERAEKMA-UHFFFAOYSA-N 1 2 239.319 -0.194 20 0 BBADLO C=C/C=C\CC[N@@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000878704256 590612370 /nfs/dbraw/zinc/61/23/70/590612370.db2.gz YWTHXVLPBKEDPF-ARJAWSKDSA-N 1 2 237.303 -0.252 20 0 BBADLO C=C/C=C\CC[N@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000878704256 590612368 /nfs/dbraw/zinc/61/23/68/590612368.db2.gz YWTHXVLPBKEDPF-ARJAWSKDSA-N 1 2 237.303 -0.252 20 0 BBADLO C=C/C=C/CC[N@@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000878704258 590612290 /nfs/dbraw/zinc/61/22/90/590612290.db2.gz YWTHXVLPBKEDPF-ONEGZZNKSA-N 1 2 237.303 -0.252 20 0 BBADLO C=C/C=C/CC[N@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000878704258 590612288 /nfs/dbraw/zinc/61/22/88/590612288.db2.gz YWTHXVLPBKEDPF-ONEGZZNKSA-N 1 2 237.303 -0.252 20 0 BBADLO Cc1conc1C[N@@H+](CCO)CCOCCO ZINC000878705048 590611108 /nfs/dbraw/zinc/61/11/08/590611108.db2.gz NQGMXBMTPGQFJM-UHFFFAOYSA-N 1 2 244.291 -0.214 20 0 BBADLO Cc1conc1C[N@H+](CCO)CCOCCO ZINC000878705048 590611107 /nfs/dbraw/zinc/61/11/07/590611107.db2.gz NQGMXBMTPGQFJM-UHFFFAOYSA-N 1 2 244.291 -0.214 20 0 BBADLO C[C@@H](O)[C@H]1C[N@@H+](CCN2CCOC2=O)CCO1 ZINC000878715667 590615320 /nfs/dbraw/zinc/61/53/20/590615320.db2.gz RYZWTPGCXRIQND-NXEZZACHSA-N 1 2 244.291 -0.480 20 0 BBADLO C[C@@H](O)[C@H]1C[N@H+](CCN2CCOC2=O)CCO1 ZINC000878715667 590615319 /nfs/dbraw/zinc/61/53/19/590615319.db2.gz RYZWTPGCXRIQND-NXEZZACHSA-N 1 2 244.291 -0.480 20 0 BBADLO C[C@H](O)[C@@H]1C[N@@H+](CCN2CCOC2=O)CCO1 ZINC000878715668 590615317 /nfs/dbraw/zinc/61/53/17/590615317.db2.gz RYZWTPGCXRIQND-UWVGGRQHSA-N 1 2 244.291 -0.480 20 0 BBADLO C[C@H](O)[C@@H]1C[N@H+](CCN2CCOC2=O)CCO1 ZINC000878715668 590615316 /nfs/dbraw/zinc/61/53/16/590615316.db2.gz RYZWTPGCXRIQND-UWVGGRQHSA-N 1 2 244.291 -0.480 20 0 BBADLO C[C@H](O)[C@H]1C[N@@H+](CCN2CCOC2=O)CCO1 ZINC000878715670 583399914 /nfs/dbraw/zinc/39/99/14/583399914.db2.gz RYZWTPGCXRIQND-VHSXEESVSA-N 1 2 244.291 -0.480 20 0 BBADLO C[C@H](O)[C@H]1C[N@H+](CCN2CCOC2=O)CCO1 ZINC000878715670 583399913 /nfs/dbraw/zinc/39/99/13/583399913.db2.gz RYZWTPGCXRIQND-VHSXEESVSA-N 1 2 244.291 -0.480 20 0 BBADLO C[C@@H](O)[C@@H]1C[N@@H+](CCN2CCOC2=O)CCO1 ZINC000878715675 583399869 /nfs/dbraw/zinc/39/98/69/583399869.db2.gz RYZWTPGCXRIQND-ZJUUUORDSA-N 1 2 244.291 -0.480 20 0 BBADLO C[C@@H](O)[C@@H]1C[N@H+](CCN2CCOC2=O)CCO1 ZINC000878715675 583399867 /nfs/dbraw/zinc/39/98/67/583399867.db2.gz RYZWTPGCXRIQND-ZJUUUORDSA-N 1 2 244.291 -0.480 20 0 BBADLO C[C@@H](O)[C@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000878716385 590615388 /nfs/dbraw/zinc/61/53/88/590615388.db2.gz YSDWEFOJAULVDF-PSASIEDQSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@@H](O)[C@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000878716385 590615387 /nfs/dbraw/zinc/61/53/87/590615387.db2.gz YSDWEFOJAULVDF-PSASIEDQSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@@H](O)[C@@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000878716386 590615491 /nfs/dbraw/zinc/61/54/91/590615491.db2.gz YSDWEFOJAULVDF-SCZZXKLOSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@@H](O)[C@@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000878716386 590615489 /nfs/dbraw/zinc/61/54/89/590615489.db2.gz YSDWEFOJAULVDF-SCZZXKLOSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@H](O)[C@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000878716387 590615111 /nfs/dbraw/zinc/61/51/11/590615111.db2.gz YSDWEFOJAULVDF-WCBMZHEXSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@H](O)[C@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000878716387 590615109 /nfs/dbraw/zinc/61/51/09/590615109.db2.gz YSDWEFOJAULVDF-WCBMZHEXSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@H](O)[C@@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000878716388 590614934 /nfs/dbraw/zinc/61/49/34/590614934.db2.gz YSDWEFOJAULVDF-WPRPVWTQSA-N 1 2 211.265 -0.009 20 0 BBADLO C[C@H](O)[C@@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000878716388 590614932 /nfs/dbraw/zinc/61/49/32/590614932.db2.gz YSDWEFOJAULVDF-WPRPVWTQSA-N 1 2 211.265 -0.009 20 0 BBADLO O=C(C[C@H]1CCNC1=O)Nc1cc[nH+]cc1O ZINC000878777891 590621174 /nfs/dbraw/zinc/62/11/74/590621174.db2.gz VRICXOGQBKPKDC-SSDOTTSWSA-N 1 2 235.243 -0.326 20 0 BBADLO O=C(C[C@@H]1CCNC1=O)Nc1cc[nH+]cc1O ZINC000878777892 590621252 /nfs/dbraw/zinc/62/12/52/590621252.db2.gz VRICXOGQBKPKDC-ZETCQYMHSA-N 1 2 235.243 -0.326 20 0 BBADLO C[S@](=O)CC[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000878824222 590628378 /nfs/dbraw/zinc/62/83/78/590628378.db2.gz GEWAEWRTJKKUBO-INIZCTEOSA-N 1 2 243.336 -0.695 20 0 BBADLO C[S@@](=O)CC[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000878824223 590628592 /nfs/dbraw/zinc/62/85/92/590628592.db2.gz GEWAEWRTJKKUBO-MRXNPFEDSA-N 1 2 243.336 -0.695 20 0 BBADLO COC(C[NH+]1CCN(c2nc[nH]n2)CC1)OC ZINC000878824262 590628341 /nfs/dbraw/zinc/62/83/41/590628341.db2.gz HNNDCKURSXVBSI-UHFFFAOYSA-N 1 2 241.295 -0.454 20 0 BBADLO c1nc(N2CC[NH+](CC3OCCO3)CC2)n[nH]1 ZINC000878824617 590628518 /nfs/dbraw/zinc/62/85/18/590628518.db2.gz YXIWOPJMYNIRAF-UHFFFAOYSA-N 1 2 239.279 -0.700 20 0 BBADLO Cc1noc(C[N@@H+](C)CCn2cnnn2)n1 ZINC000878848101 590632670 /nfs/dbraw/zinc/63/26/70/590632670.db2.gz GQFXQMYKEMWYQX-UHFFFAOYSA-N 1 2 223.240 -0.503 20 0 BBADLO Cc1noc(C[N@H+](C)CCn2cnnn2)n1 ZINC000878848101 590632663 /nfs/dbraw/zinc/63/26/63/590632663.db2.gz GQFXQMYKEMWYQX-UHFFFAOYSA-N 1 2 223.240 -0.503 20 0 BBADLO Cn1ncc(C[NH+]2[C@@H](CO)CC[C@@H]2CO)n1 ZINC000878880948 590637881 /nfs/dbraw/zinc/63/78/81/590637881.db2.gz DGENFFMVTMIYGD-NXEZZACHSA-N 1 2 226.280 -0.867 20 0 BBADLO CCn1ncc(C[NH+]2[C@@H](CO)CC[C@@H]2CO)n1 ZINC000878881701 590638150 /nfs/dbraw/zinc/63/81/50/590638150.db2.gz MFHRFYVIAGEZTQ-GHMZBOCLSA-N 1 2 240.307 -0.384 20 0 BBADLO OC[C@@H]1CC[C@@H](CO)[NH+]1Cc1cnsn1 ZINC000878881843 590637409 /nfs/dbraw/zinc/63/74/09/590637409.db2.gz RLNLTYLDPQZEMK-IUCAKERBSA-N 1 2 229.305 -0.144 20 0 BBADLO Cn1nnnc1CC[N@@H+](C)Cc1cnc[nH]1 ZINC000878884311 590640343 /nfs/dbraw/zinc/64/03/43/590640343.db2.gz BZENTEKMPROUOE-UHFFFAOYSA-N 1 2 221.268 -0.392 20 0 BBADLO Cn1nnnc1CC[N@H+](C)Cc1cnc[nH]1 ZINC000878884311 590640340 /nfs/dbraw/zinc/64/03/40/590640340.db2.gz BZENTEKMPROUOE-UHFFFAOYSA-N 1 2 221.268 -0.392 20 0 BBADLO C[N@@H+](CCn1cnnn1)Cc1c[nH]cn1 ZINC000878885158 590639462 /nfs/dbraw/zinc/63/94/62/590639462.db2.gz XZHATAXOWZBAKP-UHFFFAOYSA-N 1 2 207.241 -0.472 20 0 BBADLO C[N@H+](CCn1cnnn1)Cc1c[nH]cn1 ZINC000878885158 590639459 /nfs/dbraw/zinc/63/94/59/590639459.db2.gz XZHATAXOWZBAKP-UHFFFAOYSA-N 1 2 207.241 -0.472 20 0 BBADLO C[N@@H+](CCn1cnnn1)Cc1cnc[nH]1 ZINC000878885158 590639456 /nfs/dbraw/zinc/63/94/56/590639456.db2.gz XZHATAXOWZBAKP-UHFFFAOYSA-N 1 2 207.241 -0.472 20 0 BBADLO C[N@H+](CCn1cnnn1)Cc1cnc[nH]1 ZINC000878885158 590639452 /nfs/dbraw/zinc/63/94/52/590639452.db2.gz XZHATAXOWZBAKP-UHFFFAOYSA-N 1 2 207.241 -0.472 20 0 BBADLO COC(=O)C12CC(C1)C[N@H+]2CCn1cnnn1 ZINC000878918813 590651486 /nfs/dbraw/zinc/65/14/86/590651486.db2.gz YXUDBCAEMQIHKW-UHFFFAOYSA-N 1 2 237.263 -0.690 20 0 BBADLO COC(=O)C12CC(C1)C[N@@H+]2CCn1cnnn1 ZINC000878918813 590651485 /nfs/dbraw/zinc/65/14/85/590651485.db2.gz YXUDBCAEMQIHKW-UHFFFAOYSA-N 1 2 237.263 -0.690 20 0 BBADLO C[C@@H]1C[NH+](CCc2nnnn2C)C[C@@H](C)C1=O ZINC000878919333 590652459 /nfs/dbraw/zinc/65/24/59/590652459.db2.gz KBGGDMNAVCVBSM-RKDXNWHRSA-N 1 2 237.307 -0.091 20 0 BBADLO COCC[N@@H+](CCF)CCc1nnnn1C ZINC000878919404 590652343 /nfs/dbraw/zinc/65/23/43/590652343.db2.gz KYFDICOFLKRXAZ-UHFFFAOYSA-N 1 2 231.275 -0.330 20 0 BBADLO COCC[N@H+](CCF)CCc1nnnn1C ZINC000878919404 590652340 /nfs/dbraw/zinc/65/23/40/590652340.db2.gz KYFDICOFLKRXAZ-UHFFFAOYSA-N 1 2 231.275 -0.330 20 0 BBADLO Nc1ncc2c(n1)C[N@H+](CCn1cnnn1)CC2 ZINC000878938282 590657495 /nfs/dbraw/zinc/65/74/95/590657495.db2.gz OGDXTVALHLRYPO-UHFFFAOYSA-N 1 2 246.278 -0.896 20 0 BBADLO Nc1ncc2c(n1)C[N@@H+](CCn1cnnn1)CC2 ZINC000878938282 590657491 /nfs/dbraw/zinc/65/74/91/590657491.db2.gz OGDXTVALHLRYPO-UHFFFAOYSA-N 1 2 246.278 -0.896 20 0 BBADLO Cn1cc(C[N@@H+](C)C[C@@H](O)CC(C)(C)O)nn1 ZINC000878949360 590658815 /nfs/dbraw/zinc/65/88/15/590658815.db2.gz DBSLMUWMQXKQGS-JTQLQIEISA-N 1 2 242.323 -0.231 20 0 BBADLO Cn1cc(C[N@H+](C)C[C@@H](O)CC(C)(C)O)nn1 ZINC000878949360 590658812 /nfs/dbraw/zinc/65/88/12/590658812.db2.gz DBSLMUWMQXKQGS-JTQLQIEISA-N 1 2 242.323 -0.231 20 0 BBADLO Cn1cc(C[N@@H+](C)C[C@H](O)CC(C)(C)O)nn1 ZINC000878949361 590658182 /nfs/dbraw/zinc/65/81/82/590658182.db2.gz DBSLMUWMQXKQGS-SNVBAGLBSA-N 1 2 242.323 -0.231 20 0 BBADLO Cn1cc(C[N@H+](C)C[C@H](O)CC(C)(C)O)nn1 ZINC000878949361 590658178 /nfs/dbraw/zinc/65/81/78/590658178.db2.gz DBSLMUWMQXKQGS-SNVBAGLBSA-N 1 2 242.323 -0.231 20 0 BBADLO COC(=O)[C@@](C)(CCF)[NH2+]CCn1cnnn1 ZINC000878950820 583413864 /nfs/dbraw/zinc/41/38/64/583413864.db2.gz ADNRPGXBUZNNBH-SECBINFHSA-N 1 2 245.258 -0.446 20 0 BBADLO COC(=O)[C@](C)(CCF)[NH2+]CCn1cnnn1 ZINC000878950821 583414091 /nfs/dbraw/zinc/41/40/91/583414091.db2.gz ADNRPGXBUZNNBH-VIFPVBQESA-N 1 2 245.258 -0.446 20 0 BBADLO CO[C@H]1C[N@@H+](CCN2CCOC2=O)CCO1 ZINC000878968196 590662831 /nfs/dbraw/zinc/66/28/31/590662831.db2.gz LNWMURSOMDXHOP-SECBINFHSA-N 1 2 230.264 -0.257 20 0 BBADLO CO[C@H]1C[N@H+](CCN2CCOC2=O)CCO1 ZINC000878968196 590662828 /nfs/dbraw/zinc/66/28/28/590662828.db2.gz LNWMURSOMDXHOP-SECBINFHSA-N 1 2 230.264 -0.257 20 0 BBADLO CO[C@@H]1C[N@@H+](CCN2CCOC2=O)CCO1 ZINC000878968197 590663636 /nfs/dbraw/zinc/66/36/36/590663636.db2.gz LNWMURSOMDXHOP-VIFPVBQESA-N 1 2 230.264 -0.257 20 0 BBADLO CO[C@@H]1C[N@H+](CCN2CCOC2=O)CCO1 ZINC000878968197 590663628 /nfs/dbraw/zinc/66/36/28/590663628.db2.gz LNWMURSOMDXHOP-VIFPVBQESA-N 1 2 230.264 -0.257 20 0 BBADLO CO[C@H]1C[N@@H+](C[C@H](O)CC(C)(C)O)CCO1 ZINC000878968763 590663072 /nfs/dbraw/zinc/66/30/72/590663072.db2.gz AOQKXRWBMBSMCO-NXEZZACHSA-N 1 2 233.308 -0.187 20 0 BBADLO CO[C@H]1C[N@H+](C[C@H](O)CC(C)(C)O)CCO1 ZINC000878968763 590663069 /nfs/dbraw/zinc/66/30/69/590663069.db2.gz AOQKXRWBMBSMCO-NXEZZACHSA-N 1 2 233.308 -0.187 20 0 BBADLO CO[C@@H]1C[N@@H+](C[C@@H](O)CC(C)(C)O)CCO1 ZINC000878968764 590664093 /nfs/dbraw/zinc/66/40/93/590664093.db2.gz AOQKXRWBMBSMCO-UWVGGRQHSA-N 1 2 233.308 -0.187 20 0 BBADLO CO[C@@H]1C[N@H+](C[C@@H](O)CC(C)(C)O)CCO1 ZINC000878968764 590664090 /nfs/dbraw/zinc/66/40/90/590664090.db2.gz AOQKXRWBMBSMCO-UWVGGRQHSA-N 1 2 233.308 -0.187 20 0 BBADLO CO[C@H]1C[N@@H+](C[C@@H](O)CC(C)(C)O)CCO1 ZINC000878968765 590663701 /nfs/dbraw/zinc/66/37/01/590663701.db2.gz AOQKXRWBMBSMCO-VHSXEESVSA-N 1 2 233.308 -0.187 20 0 BBADLO CO[C@H]1C[N@H+](C[C@@H](O)CC(C)(C)O)CCO1 ZINC000878968765 590663698 /nfs/dbraw/zinc/66/36/98/590663698.db2.gz AOQKXRWBMBSMCO-VHSXEESVSA-N 1 2 233.308 -0.187 20 0 BBADLO CO[C@@H]1C[N@@H+](C[C@H](O)CC(C)(C)O)CCO1 ZINC000878968766 590664142 /nfs/dbraw/zinc/66/41/42/590664142.db2.gz AOQKXRWBMBSMCO-ZJUUUORDSA-N 1 2 233.308 -0.187 20 0 BBADLO CO[C@@H]1C[N@H+](C[C@H](O)CC(C)(C)O)CCO1 ZINC000878968766 590664139 /nfs/dbraw/zinc/66/41/39/590664139.db2.gz AOQKXRWBMBSMCO-ZJUUUORDSA-N 1 2 233.308 -0.187 20 0 BBADLO CO[C@H]1C[N@@H+](CCc2nnnn2C)CCO1 ZINC000878969083 590662708 /nfs/dbraw/zinc/66/27/08/590662708.db2.gz JUWXZRGNGGWPOO-SECBINFHSA-N 1 2 227.268 -0.943 20 0 BBADLO CO[C@H]1C[N@H+](CCc2nnnn2C)CCO1 ZINC000878969083 590662706 /nfs/dbraw/zinc/66/27/06/590662706.db2.gz JUWXZRGNGGWPOO-SECBINFHSA-N 1 2 227.268 -0.943 20 0 BBADLO CO[C@@H]1C[N@@H+](CCc2nnnn2C)CCO1 ZINC000878969084 590663300 /nfs/dbraw/zinc/66/33/00/590663300.db2.gz JUWXZRGNGGWPOO-VIFPVBQESA-N 1 2 227.268 -0.943 20 0 BBADLO CO[C@@H]1C[N@H+](CCc2nnnn2C)CCO1 ZINC000878969084 590663298 /nfs/dbraw/zinc/66/32/98/590663298.db2.gz JUWXZRGNGGWPOO-VIFPVBQESA-N 1 2 227.268 -0.943 20 0 BBADLO COC(C[N@H+]1CCO[C@@H](OC)C1)OC ZINC000878969885 590665003 /nfs/dbraw/zinc/66/50/03/590665003.db2.gz GAROSHZWZNOQNZ-SECBINFHSA-N 1 2 205.254 -0.090 20 0 BBADLO COC(C[N@@H+]1CCO[C@@H](OC)C1)OC ZINC000878969885 590664999 /nfs/dbraw/zinc/66/49/99/590664999.db2.gz GAROSHZWZNOQNZ-SECBINFHSA-N 1 2 205.254 -0.090 20 0 BBADLO COC(C[N@H+]1CCO[C@H](OC)C1)OC ZINC000878969886 590665571 /nfs/dbraw/zinc/66/55/71/590665571.db2.gz GAROSHZWZNOQNZ-VIFPVBQESA-N 1 2 205.254 -0.090 20 0 BBADLO COC(C[N@@H+]1CCO[C@H](OC)C1)OC ZINC000878969886 590665570 /nfs/dbraw/zinc/66/55/70/590665570.db2.gz GAROSHZWZNOQNZ-VIFPVBQESA-N 1 2 205.254 -0.090 20 0 BBADLO CO[C@@H]1C[N@@H+](CCC(=O)N(C)OC)CCO1 ZINC000878970029 590664493 /nfs/dbraw/zinc/66/44/93/590664493.db2.gz IAMXDLFNZDAHCW-JTQLQIEISA-N 1 2 232.280 -0.299 20 0 BBADLO CO[C@@H]1C[N@H+](CCC(=O)N(C)OC)CCO1 ZINC000878970029 590664490 /nfs/dbraw/zinc/66/44/90/590664490.db2.gz IAMXDLFNZDAHCW-JTQLQIEISA-N 1 2 232.280 -0.299 20 0 BBADLO CO[C@H]1C[N@@H+](CCC(=O)N(C)OC)CCO1 ZINC000878970030 590664375 /nfs/dbraw/zinc/66/43/75/590664375.db2.gz IAMXDLFNZDAHCW-SNVBAGLBSA-N 1 2 232.280 -0.299 20 0 BBADLO CO[C@H]1C[N@H+](CCC(=O)N(C)OC)CCO1 ZINC000878970030 590664371 /nfs/dbraw/zinc/66/43/71/590664371.db2.gz IAMXDLFNZDAHCW-SNVBAGLBSA-N 1 2 232.280 -0.299 20 0 BBADLO CO[C@H]1C[N@@H+](C[C@H]2CCC(=O)O2)CCO1 ZINC000878970481 590665271 /nfs/dbraw/zinc/66/52/71/590665271.db2.gz RDEABKAMEUPTTD-PSASIEDQSA-N 1 2 215.249 -0.003 20 0 BBADLO CO[C@H]1C[N@H+](C[C@H]2CCC(=O)O2)CCO1 ZINC000878970481 590665268 /nfs/dbraw/zinc/66/52/68/590665268.db2.gz RDEABKAMEUPTTD-PSASIEDQSA-N 1 2 215.249 -0.003 20 0 BBADLO CO[C@@H]1C[N@@H+](C[C@H]2CCC(=O)O2)CCO1 ZINC000878970482 590665013 /nfs/dbraw/zinc/66/50/13/590665013.db2.gz RDEABKAMEUPTTD-SCZZXKLOSA-N 1 2 215.249 -0.003 20 0 BBADLO CO[C@@H]1C[N@H+](C[C@H]2CCC(=O)O2)CCO1 ZINC000878970482 590665009 /nfs/dbraw/zinc/66/50/09/590665009.db2.gz RDEABKAMEUPTTD-SCZZXKLOSA-N 1 2 215.249 -0.003 20 0 BBADLO CO[C@H]1C[N@@H+](C[C@@H]2CCC(=O)O2)CCO1 ZINC000878970483 590664435 /nfs/dbraw/zinc/66/44/35/590664435.db2.gz RDEABKAMEUPTTD-WCBMZHEXSA-N 1 2 215.249 -0.003 20 0 BBADLO CO[C@H]1C[N@H+](C[C@@H]2CCC(=O)O2)CCO1 ZINC000878970483 590664430 /nfs/dbraw/zinc/66/44/30/590664430.db2.gz RDEABKAMEUPTTD-WCBMZHEXSA-N 1 2 215.249 -0.003 20 0 BBADLO CO[C@@H]1C[N@@H+](C[C@@H]2CCC(=O)O2)CCO1 ZINC000878970484 590665399 /nfs/dbraw/zinc/66/53/99/590665399.db2.gz RDEABKAMEUPTTD-WPRPVWTQSA-N 1 2 215.249 -0.003 20 0 BBADLO CO[C@@H]1C[N@H+](C[C@@H]2CCC(=O)O2)CCO1 ZINC000878970484 590665397 /nfs/dbraw/zinc/66/53/97/590665397.db2.gz RDEABKAMEUPTTD-WPRPVWTQSA-N 1 2 215.249 -0.003 20 0 BBADLO CCn1ncc(C[N@H+]2C[C@H](O)C[C@]2(C)CO)n1 ZINC000878980807 590668190 /nfs/dbraw/zinc/66/81/90/590668190.db2.gz FOHDCZIDMPKLNQ-GHMZBOCLSA-N 1 2 240.307 -0.384 20 0 BBADLO CCn1ncc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)n1 ZINC000878980807 590668184 /nfs/dbraw/zinc/66/81/84/590668184.db2.gz FOHDCZIDMPKLNQ-GHMZBOCLSA-N 1 2 240.307 -0.384 20 0 BBADLO CCn1ncc(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)n1 ZINC000878980808 590667554 /nfs/dbraw/zinc/66/75/54/590667554.db2.gz FOHDCZIDMPKLNQ-MNOVXSKESA-N 1 2 240.307 -0.384 20 0 BBADLO CCn1ncc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)n1 ZINC000878980808 590667550 /nfs/dbraw/zinc/66/75/50/590667550.db2.gz FOHDCZIDMPKLNQ-MNOVXSKESA-N 1 2 240.307 -0.384 20 0 BBADLO CCn1ncc(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)n1 ZINC000878980809 590667399 /nfs/dbraw/zinc/66/73/99/590667399.db2.gz FOHDCZIDMPKLNQ-QWRGUYRKSA-N 1 2 240.307 -0.384 20 0 BBADLO CCn1ncc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)n1 ZINC000878980809 590667396 /nfs/dbraw/zinc/66/73/96/590667396.db2.gz FOHDCZIDMPKLNQ-QWRGUYRKSA-N 1 2 240.307 -0.384 20 0 BBADLO CCn1ncc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)n1 ZINC000878980810 590668460 /nfs/dbraw/zinc/66/84/60/590668460.db2.gz FOHDCZIDMPKLNQ-WDEREUQCSA-N 1 2 240.307 -0.384 20 0 BBADLO CCn1ncc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)n1 ZINC000878980810 590668458 /nfs/dbraw/zinc/66/84/58/590668458.db2.gz FOHDCZIDMPKLNQ-WDEREUQCSA-N 1 2 240.307 -0.384 20 0 BBADLO C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1cnon1 ZINC000878981888 590668718 /nfs/dbraw/zinc/66/87/18/590668718.db2.gz RZIQEQXDLAAABM-BDAKNGLRSA-N 1 2 213.237 -0.613 20 0 BBADLO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cnon1 ZINC000878981888 590668717 /nfs/dbraw/zinc/66/87/17/590668717.db2.gz RZIQEQXDLAAABM-BDAKNGLRSA-N 1 2 213.237 -0.613 20 0 BBADLO C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1cnon1 ZINC000878981889 590667472 /nfs/dbraw/zinc/66/74/72/590667472.db2.gz RZIQEQXDLAAABM-DTWKUNHWSA-N 1 2 213.237 -0.613 20 0 BBADLO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1cnon1 ZINC000878981889 590667470 /nfs/dbraw/zinc/66/74/70/590667470.db2.gz RZIQEQXDLAAABM-DTWKUNHWSA-N 1 2 213.237 -0.613 20 0 BBADLO C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1cnon1 ZINC000878981891 590668505 /nfs/dbraw/zinc/66/85/05/590668505.db2.gz RZIQEQXDLAAABM-IUCAKERBSA-N 1 2 213.237 -0.613 20 0 BBADLO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1cnon1 ZINC000878981891 590668502 /nfs/dbraw/zinc/66/85/02/590668502.db2.gz RZIQEQXDLAAABM-IUCAKERBSA-N 1 2 213.237 -0.613 20 0 BBADLO C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1cnon1 ZINC000878981893 590667381 /nfs/dbraw/zinc/66/73/81/590667381.db2.gz RZIQEQXDLAAABM-RKDXNWHRSA-N 1 2 213.237 -0.613 20 0 BBADLO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cnon1 ZINC000878981893 590667378 /nfs/dbraw/zinc/66/73/78/590667378.db2.gz RZIQEQXDLAAABM-RKDXNWHRSA-N 1 2 213.237 -0.613 20 0 BBADLO c1cn(C[C@@H]2CN(Cc3[nH]cc[nH+]3)CCO2)nn1 ZINC000878984920 590668727 /nfs/dbraw/zinc/66/87/27/590668727.db2.gz BZSDIZJEMIGQHJ-JTQLQIEISA-N 1 2 248.290 -0.098 20 0 BBADLO c1cn(C[C@H]2CN(Cc3[nH]cc[nH+]3)CCO2)nn1 ZINC000878984921 590667514 /nfs/dbraw/zinc/66/75/14/590667514.db2.gz BZSDIZJEMIGQHJ-SNVBAGLBSA-N 1 2 248.290 -0.098 20 0 BBADLO c1cn(C[C@H]2CN(Cc3c[nH]c[nH+]3)CCO2)nn1 ZINC000878988446 590670128 /nfs/dbraw/zinc/67/01/28/590670128.db2.gz VKEMOVWGHPUHJG-LLVKDONJSA-N 1 2 248.290 -0.098 20 0 BBADLO c1cn(C[C@H]2CN(Cc3c[nH+]c[nH]3)CCO2)nn1 ZINC000878988446 590670126 /nfs/dbraw/zinc/67/01/26/590670126.db2.gz VKEMOVWGHPUHJG-LLVKDONJSA-N 1 2 248.290 -0.098 20 0 BBADLO c1cn(C[C@@H]2CN(Cc3c[nH]c[nH+]3)CCO2)nn1 ZINC000878988447 590670091 /nfs/dbraw/zinc/67/00/91/590670091.db2.gz VKEMOVWGHPUHJG-NSHDSACASA-N 1 2 248.290 -0.098 20 0 BBADLO c1cn(C[C@@H]2CN(Cc3c[nH+]c[nH]3)CCO2)nn1 ZINC000878988447 590670090 /nfs/dbraw/zinc/67/00/90/590670090.db2.gz VKEMOVWGHPUHJG-NSHDSACASA-N 1 2 248.290 -0.098 20 0 BBADLO c1cn(C[C@H]2C[N@@H+](Cc3cn[nH]c3)CCO2)nn1 ZINC000878988579 590669528 /nfs/dbraw/zinc/66/95/28/590669528.db2.gz WORFDWBZGXFOSO-LLVKDONJSA-N 1 2 248.290 -0.098 20 0 BBADLO c1cn(C[C@H]2C[N@H+](Cc3cn[nH]c3)CCO2)nn1 ZINC000878988579 590669524 /nfs/dbraw/zinc/66/95/24/590669524.db2.gz WORFDWBZGXFOSO-LLVKDONJSA-N 1 2 248.290 -0.098 20 0 BBADLO c1cn(C[C@@H]2C[N@@H+](Cc3cn[nH]c3)CCO2)nn1 ZINC000878988582 590669677 /nfs/dbraw/zinc/66/96/77/590669677.db2.gz WORFDWBZGXFOSO-NSHDSACASA-N 1 2 248.290 -0.098 20 0 BBADLO c1cn(C[C@@H]2C[N@H+](Cc3cn[nH]c3)CCO2)nn1 ZINC000878988582 590669674 /nfs/dbraw/zinc/66/96/74/590669674.db2.gz WORFDWBZGXFOSO-NSHDSACASA-N 1 2 248.290 -0.098 20 0 BBADLO c1nnnn1CC[N@H+]1CCc2nccnc2C1 ZINC000878992537 590672920 /nfs/dbraw/zinc/67/29/20/590672920.db2.gz OQZAGQONGNDUPZ-UHFFFAOYSA-N 1 2 231.263 -0.479 20 0 BBADLO c1nnnn1CC[N@@H+]1CCc2nccnc2C1 ZINC000878992537 590672917 /nfs/dbraw/zinc/67/29/17/590672917.db2.gz OQZAGQONGNDUPZ-UHFFFAOYSA-N 1 2 231.263 -0.479 20 0 BBADLO COC(=O)C[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879044631 590685229 /nfs/dbraw/zinc/68/52/29/590685229.db2.gz SSAZGIAVMNCXTE-SECBINFHSA-N 1 2 232.255 -0.305 20 0 BBADLO COC(=O)C[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879044636 590685585 /nfs/dbraw/zinc/68/55/85/590685585.db2.gz SSAZGIAVMNCXTE-VIFPVBQESA-N 1 2 232.255 -0.305 20 0 BBADLO CCOC[C@@H]1C[N@@H+](CCn2cnnn2)CCO1 ZINC000879050711 590687611 /nfs/dbraw/zinc/68/76/11/590687611.db2.gz JBLWOPMUNVGEGB-JTQLQIEISA-N 1 2 241.295 -0.590 20 0 BBADLO CCOC[C@@H]1C[N@H+](CCn2cnnn2)CCO1 ZINC000879050711 590687608 /nfs/dbraw/zinc/68/76/08/590687608.db2.gz JBLWOPMUNVGEGB-JTQLQIEISA-N 1 2 241.295 -0.590 20 0 BBADLO CCOC[C@H]1C[N@@H+](CCn2cnnn2)CCO1 ZINC000879050717 590686604 /nfs/dbraw/zinc/68/66/04/590686604.db2.gz JBLWOPMUNVGEGB-SNVBAGLBSA-N 1 2 241.295 -0.590 20 0 BBADLO CCOC[C@H]1C[N@H+](CCn2cnnn2)CCO1 ZINC000879050717 590686603 /nfs/dbraw/zinc/68/66/03/590686603.db2.gz JBLWOPMUNVGEGB-SNVBAGLBSA-N 1 2 241.295 -0.590 20 0 BBADLO Cn1nnnc1CC[N@H+]1CCO[C@H](CCF)C1 ZINC000879054586 590688189 /nfs/dbraw/zinc/68/81/89/590688189.db2.gz RMSNKYBOXVIJLV-SECBINFHSA-N 1 2 243.286 -0.187 20 0 BBADLO Cn1nnnc1CC[N@@H+]1CCO[C@H](CCF)C1 ZINC000879054586 590688185 /nfs/dbraw/zinc/68/81/85/590688185.db2.gz RMSNKYBOXVIJLV-SECBINFHSA-N 1 2 243.286 -0.187 20 0 BBADLO Cn1nnnc1CC[N@H+]1CCO[C@@H](CCF)C1 ZINC000879054587 590689543 /nfs/dbraw/zinc/68/95/43/590689543.db2.gz RMSNKYBOXVIJLV-VIFPVBQESA-N 1 2 243.286 -0.187 20 0 BBADLO Cn1nnnc1CC[N@@H+]1CCO[C@@H](CCF)C1 ZINC000879054587 590689538 /nfs/dbraw/zinc/68/95/38/590689538.db2.gz RMSNKYBOXVIJLV-VIFPVBQESA-N 1 2 243.286 -0.187 20 0 BBADLO FCC[C@@H]1C[N@@H+](CCn2cnnn2)CCO1 ZINC000879054804 590688434 /nfs/dbraw/zinc/68/84/34/590688434.db2.gz UYYDAQDDHCPOOP-SECBINFHSA-N 1 2 229.259 -0.267 20 0 BBADLO FCC[C@@H]1C[N@H+](CCn2cnnn2)CCO1 ZINC000879054804 590688428 /nfs/dbraw/zinc/68/84/28/590688428.db2.gz UYYDAQDDHCPOOP-SECBINFHSA-N 1 2 229.259 -0.267 20 0 BBADLO FCC[C@H]1C[N@@H+](CCn2cnnn2)CCO1 ZINC000879054807 590689391 /nfs/dbraw/zinc/68/93/91/590689391.db2.gz UYYDAQDDHCPOOP-VIFPVBQESA-N 1 2 229.259 -0.267 20 0 BBADLO FCC[C@H]1C[N@H+](CCn2cnnn2)CCO1 ZINC000879054807 590689387 /nfs/dbraw/zinc/68/93/87/590689387.db2.gz UYYDAQDDHCPOOP-VIFPVBQESA-N 1 2 229.259 -0.267 20 0 BBADLO Cc1cc(NC(=O)NC[C@@H](O)[C@@H](C)O)cc[nH+]1 ZINC000879071566 590691517 /nfs/dbraw/zinc/69/15/17/590691517.db2.gz VHBJMUZWVIQWSQ-PSASIEDQSA-N 1 2 239.275 -0.325 20 0 BBADLO Cc1cc(NC(=O)NC[C@H](O)[C@@H](C)O)cc[nH+]1 ZINC000879071571 590691437 /nfs/dbraw/zinc/69/14/37/590691437.db2.gz VHBJMUZWVIQWSQ-SCZZXKLOSA-N 1 2 239.275 -0.325 20 0 BBADLO Cc1cc(NC(=O)NC[C@@H](O)[C@H](C)O)cc[nH+]1 ZINC000879071574 590692153 /nfs/dbraw/zinc/69/21/53/590692153.db2.gz VHBJMUZWVIQWSQ-WCBMZHEXSA-N 1 2 239.275 -0.325 20 0 BBADLO Cc1cc(NC(=O)NC[C@H](O)[C@H](C)O)cc[nH+]1 ZINC000879071575 590692302 /nfs/dbraw/zinc/69/23/02/590692302.db2.gz VHBJMUZWVIQWSQ-WPRPVWTQSA-N 1 2 239.275 -0.325 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)NC[C@@H](O)[C@@H](C)O ZINC000879073072 590691866 /nfs/dbraw/zinc/69/18/66/590691866.db2.gz PWUVXGFSDAVDCX-PSASIEDQSA-N 1 2 239.275 -0.325 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)NC[C@H](O)[C@@H](C)O ZINC000879073074 590692295 /nfs/dbraw/zinc/69/22/95/590692295.db2.gz PWUVXGFSDAVDCX-SCZZXKLOSA-N 1 2 239.275 -0.325 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)NC[C@@H](O)[C@H](C)O ZINC000879073076 590692358 /nfs/dbraw/zinc/69/23/58/590692358.db2.gz PWUVXGFSDAVDCX-WCBMZHEXSA-N 1 2 239.275 -0.325 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)NC[C@H](O)[C@H](C)O ZINC000879073078 590692194 /nfs/dbraw/zinc/69/21/94/590692194.db2.gz PWUVXGFSDAVDCX-WPRPVWTQSA-N 1 2 239.275 -0.325 20 0 BBADLO COC[C@@](C)(CO)[NH2+]Cc1cnon1 ZINC000879163846 590706408 /nfs/dbraw/zinc/70/64/08/590706408.db2.gz YTCIYBJNOUHUKV-MRVPVSSYSA-N 1 2 201.226 -0.443 20 0 BBADLO COC[C@](C)(CO)[NH2+]Cc1cnon1 ZINC000879163848 590706482 /nfs/dbraw/zinc/70/64/82/590706482.db2.gz YTCIYBJNOUHUKV-QMMMGPOBSA-N 1 2 201.226 -0.443 20 0 BBADLO Cc1[nH]ncc1C[N@H+](C)CCc1nnnn1C ZINC000879188031 590710666 /nfs/dbraw/zinc/71/06/66/590710666.db2.gz GGTLLPJSXXQXEF-UHFFFAOYSA-N 1 2 235.295 -0.084 20 0 BBADLO Cc1[nH]ncc1C[N@@H+](C)CCc1nnnn1C ZINC000879188031 590710664 /nfs/dbraw/zinc/71/06/64/590710664.db2.gz GGTLLPJSXXQXEF-UHFFFAOYSA-N 1 2 235.295 -0.084 20 0 BBADLO Cc1cc(NC(=O)c2nnn(C)n2)c(C)c[nH+]1 ZINC000879248206 590721187 /nfs/dbraw/zinc/72/11/87/590721187.db2.gz JRMKHGPRBWFETA-UHFFFAOYSA-N 1 2 232.247 -0.104 20 0 BBADLO O=C(COC1CC1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000879248542 590720789 /nfs/dbraw/zinc/72/07/89/590720789.db2.gz VURDAPBDOXZCJY-JTQLQIEISA-N 1 2 239.319 -0.719 20 0 BBADLO O=C(COC1CC1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000879248543 590720924 /nfs/dbraw/zinc/72/09/24/590720924.db2.gz VURDAPBDOXZCJY-SNVBAGLBSA-N 1 2 239.319 -0.719 20 0 BBADLO CO[C@H]1C[N@@H+](Cc2cnn(C)n2)[C@@](C)(CO)C1 ZINC000879260899 590722512 /nfs/dbraw/zinc/72/25/12/590722512.db2.gz BKRHVRRCKSUVPT-GHMZBOCLSA-N 1 2 240.307 -0.213 20 0 BBADLO CO[C@H]1C[N@H+](Cc2cnn(C)n2)[C@@](C)(CO)C1 ZINC000879260899 590722509 /nfs/dbraw/zinc/72/25/09/590722509.db2.gz BKRHVRRCKSUVPT-GHMZBOCLSA-N 1 2 240.307 -0.213 20 0 BBADLO CO[C@H]1C[N@@H+](Cc2cnn(C)n2)[C@](C)(CO)C1 ZINC000879260901 590721926 /nfs/dbraw/zinc/72/19/26/590721926.db2.gz BKRHVRRCKSUVPT-MNOVXSKESA-N 1 2 240.307 -0.213 20 0 BBADLO CO[C@H]1C[N@H+](Cc2cnn(C)n2)[C@](C)(CO)C1 ZINC000879260901 590721924 /nfs/dbraw/zinc/72/19/24/590721924.db2.gz BKRHVRRCKSUVPT-MNOVXSKESA-N 1 2 240.307 -0.213 20 0 BBADLO CO[C@@H]1C[N@@H+](Cc2cnn(C)n2)[C@](C)(CO)C1 ZINC000879260902 590722267 /nfs/dbraw/zinc/72/22/67/590722267.db2.gz BKRHVRRCKSUVPT-QWRGUYRKSA-N 1 2 240.307 -0.213 20 0 BBADLO CO[C@@H]1C[N@H+](Cc2cnn(C)n2)[C@](C)(CO)C1 ZINC000879260902 590722262 /nfs/dbraw/zinc/72/22/62/590722262.db2.gz BKRHVRRCKSUVPT-QWRGUYRKSA-N 1 2 240.307 -0.213 20 0 BBADLO CO[C@@H]1C[N@@H+](Cc2cnn(C)n2)[C@@](C)(CO)C1 ZINC000879260903 635845208 /nfs/dbraw/zinc/84/52/08/635845208.db2.gz BKRHVRRCKSUVPT-WDEREUQCSA-N 1 2 240.307 -0.213 20 0 BBADLO CO[C@@H]1C[N@H+](Cc2cnn(C)n2)[C@@](C)(CO)C1 ZINC000879260903 635845206 /nfs/dbraw/zinc/84/52/06/635845206.db2.gz BKRHVRRCKSUVPT-WDEREUQCSA-N 1 2 240.307 -0.213 20 0 BBADLO CNC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)OC ZINC000879334581 590749540 /nfs/dbraw/zinc/74/95/40/590749540.db2.gz LGYUZXIYTUYGEC-SECBINFHSA-N 1 2 243.307 -0.057 20 0 BBADLO CNC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)OC ZINC000879334581 590749536 /nfs/dbraw/zinc/74/95/36/590749536.db2.gz LGYUZXIYTUYGEC-SECBINFHSA-N 1 2 243.307 -0.057 20 0 BBADLO CNC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)OC ZINC000879334583 590748825 /nfs/dbraw/zinc/74/88/25/590748825.db2.gz LGYUZXIYTUYGEC-VIFPVBQESA-N 1 2 243.307 -0.057 20 0 BBADLO CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)OC ZINC000879334583 590748821 /nfs/dbraw/zinc/74/88/21/590748821.db2.gz LGYUZXIYTUYGEC-VIFPVBQESA-N 1 2 243.307 -0.057 20 0 BBADLO OC[C@@H]1CCC[N@@H+](Cc2cnon2)[C@@H]1CO ZINC000879366503 590753933 /nfs/dbraw/zinc/75/39/33/590753933.db2.gz IVRMOYVDNKSLGO-WCBMZHEXSA-N 1 2 227.264 -0.365 20 0 BBADLO OC[C@@H]1CCC[N@H+](Cc2cnon2)[C@@H]1CO ZINC000879366503 590753930 /nfs/dbraw/zinc/75/39/30/590753930.db2.gz IVRMOYVDNKSLGO-WCBMZHEXSA-N 1 2 227.264 -0.365 20 0 BBADLO CNC(=O)NC[C@H]1COCC[N@H+]1CCC(C)=O ZINC000879422113 590766407 /nfs/dbraw/zinc/76/64/07/590766407.db2.gz GSEYWMPQMAPMSE-JTQLQIEISA-N 1 2 243.307 -0.405 20 0 BBADLO CNC(=O)NC[C@H]1COCC[N@@H+]1CCC(C)=O ZINC000879422113 590766403 /nfs/dbraw/zinc/76/64/03/590766403.db2.gz GSEYWMPQMAPMSE-JTQLQIEISA-N 1 2 243.307 -0.405 20 0 BBADLO CNC(=O)NC[C@@H]1COCC[N@H+]1CCC(C)=O ZINC000879422122 590766455 /nfs/dbraw/zinc/76/64/55/590766455.db2.gz GSEYWMPQMAPMSE-SNVBAGLBSA-N 1 2 243.307 -0.405 20 0 BBADLO CNC(=O)NC[C@@H]1COCC[N@@H+]1CCC(C)=O ZINC000879422122 590766450 /nfs/dbraw/zinc/76/64/50/590766450.db2.gz GSEYWMPQMAPMSE-SNVBAGLBSA-N 1 2 243.307 -0.405 20 0 BBADLO CN(C)c1cc[nH+]c(NC(=O)c2nnn(C)n2)c1 ZINC000879450161 590772916 /nfs/dbraw/zinc/77/29/16/590772916.db2.gz BFZJOQXQMAGNOD-UHFFFAOYSA-N 1 2 247.262 -0.077 20 0 BBADLO Cn1nncc1NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000879476606 645828788 /nfs/dbraw/zinc/82/87/88/645828788.db2.gz LDBYBIZFHFPYJN-SSDOTTSWSA-N 1 2 247.262 -0.242 20 0 BBADLO Cn1nncc1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000879476607 645829028 /nfs/dbraw/zinc/82/90/28/645829028.db2.gz LDBYBIZFHFPYJN-ZETCQYMHSA-N 1 2 247.262 -0.242 20 0 BBADLO COC(=O)C1=NO[C@]2(CC[N@@H+](CC(C)=O)C2)C1 ZINC000879488273 590781140 /nfs/dbraw/zinc/78/11/40/590781140.db2.gz QMGSOUJDKXEPMO-LLVKDONJSA-N 1 2 240.259 -0.031 20 0 BBADLO COC(=O)C1=NO[C@]2(CC[N@H+](CC(C)=O)C2)C1 ZINC000879488273 590781138 /nfs/dbraw/zinc/78/11/38/590781138.db2.gz QMGSOUJDKXEPMO-LLVKDONJSA-N 1 2 240.259 -0.031 20 0 BBADLO COC(=O)C1=NO[C@@]2(CC[N@@H+](CC(C)=O)C2)C1 ZINC000879488274 590781551 /nfs/dbraw/zinc/78/15/51/590781551.db2.gz QMGSOUJDKXEPMO-NSHDSACASA-N 1 2 240.259 -0.031 20 0 BBADLO COC(=O)C1=NO[C@@]2(CC[N@H+](CC(C)=O)C2)C1 ZINC000879488274 590781548 /nfs/dbraw/zinc/78/15/48/590781548.db2.gz QMGSOUJDKXEPMO-NSHDSACASA-N 1 2 240.259 -0.031 20 0 BBADLO Cc1nnc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)[nH]1 ZINC000879535129 590797079 /nfs/dbraw/zinc/79/70/79/590797079.db2.gz HDCBBRQYBLBARI-OCAPTIKFSA-N 1 2 249.274 -0.840 20 0 BBADLO Cc1nnc(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)[nH]1 ZINC000879535129 590797077 /nfs/dbraw/zinc/79/70/77/590797077.db2.gz HDCBBRQYBLBARI-OCAPTIKFSA-N 1 2 249.274 -0.840 20 0 BBADLO CN1C(=O)[C@H]2C[N@@H+](Cc3cnon3)C[C@H]2C1=O ZINC000879535247 590796949 /nfs/dbraw/zinc/79/69/49/590796949.db2.gz KLIVOKWQFAXTAR-OCAPTIKFSA-N 1 2 236.231 -0.884 20 0 BBADLO CN1C(=O)[C@H]2C[N@H+](Cc3cnon3)C[C@H]2C1=O ZINC000879535247 590796946 /nfs/dbraw/zinc/79/69/46/590796946.db2.gz KLIVOKWQFAXTAR-OCAPTIKFSA-N 1 2 236.231 -0.884 20 0 BBADLO CC(C)(C)CNC(=O)C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879608697 590828737 /nfs/dbraw/zinc/82/87/37/590828737.db2.gz SSGXGYLTHPXJBR-ZJUUUORDSA-N 1 2 244.335 -0.424 20 0 BBADLO CC(C)(C)CNC(=O)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879608697 590828735 /nfs/dbraw/zinc/82/87/35/590828735.db2.gz SSGXGYLTHPXJBR-ZJUUUORDSA-N 1 2 244.335 -0.424 20 0 BBADLO CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879608953 590828750 /nfs/dbraw/zinc/82/87/50/590828750.db2.gz HQKHHDBXVBUZBB-HLTSFMKQSA-N 1 2 217.265 -0.635 20 0 BBADLO CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879608953 590828749 /nfs/dbraw/zinc/82/87/49/590828749.db2.gz HQKHHDBXVBUZBB-HLTSFMKQSA-N 1 2 217.265 -0.635 20 0 BBADLO CC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879608954 590828979 /nfs/dbraw/zinc/82/89/79/590828979.db2.gz HQKHHDBXVBUZBB-YIZRAAEISA-N 1 2 217.265 -0.635 20 0 BBADLO CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879608954 590828978 /nfs/dbraw/zinc/82/89/78/590828978.db2.gz HQKHHDBXVBUZBB-YIZRAAEISA-N 1 2 217.265 -0.635 20 0 BBADLO COc1cc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)on1 ZINC000879608997 590828182 /nfs/dbraw/zinc/82/81/82/590828182.db2.gz IVSLPPKQDLBNBG-BDAKNGLRSA-N 1 2 228.248 -0.389 20 0 BBADLO COc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)on1 ZINC000879608997 590828178 /nfs/dbraw/zinc/82/81/78/590828178.db2.gz IVSLPPKQDLBNBG-BDAKNGLRSA-N 1 2 228.248 -0.389 20 0 BBADLO CCc1nnc([C@@H](C)[N@H+]2CC[C@@H](O)[C@@H](O)C2)[nH]1 ZINC000879609329 590827604 /nfs/dbraw/zinc/82/76/04/590827604.db2.gz REBHWXMRXBCARS-HLTSFMKQSA-N 1 2 240.307 -0.144 20 0 BBADLO CCc1nnc([C@@H](C)[N@@H+]2CC[C@@H](O)[C@@H](O)C2)[nH]1 ZINC000879609329 590827602 /nfs/dbraw/zinc/82/76/02/590827602.db2.gz REBHWXMRXBCARS-HLTSFMKQSA-N 1 2 240.307 -0.144 20 0 BBADLO CCc1nnc([C@H](C)[N@H+]2CC[C@@H](O)[C@@H](O)C2)[nH]1 ZINC000879609330 590826450 /nfs/dbraw/zinc/82/64/50/590826450.db2.gz REBHWXMRXBCARS-YIZRAAEISA-N 1 2 240.307 -0.144 20 0 BBADLO CCc1nnc([C@H](C)[N@@H+]2CC[C@@H](O)[C@@H](O)C2)[nH]1 ZINC000879609330 590826447 /nfs/dbraw/zinc/82/64/47/590826447.db2.gz REBHWXMRXBCARS-YIZRAAEISA-N 1 2 240.307 -0.144 20 0 BBADLO Cn1cccc1C(=O)C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879610335 590829874 /nfs/dbraw/zinc/82/98/74/590829874.db2.gz GWFPNZYSOBODAY-PWSUYJOCSA-N 1 2 238.287 -0.365 20 0 BBADLO Cn1cccc1C(=O)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879610335 590829873 /nfs/dbraw/zinc/82/98/73/590829873.db2.gz GWFPNZYSOBODAY-PWSUYJOCSA-N 1 2 238.287 -0.365 20 0 BBADLO CC(C)COC(=O)C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611217 590826299 /nfs/dbraw/zinc/82/62/99/590826299.db2.gz ZNRXPRAATQYVDR-ZJUUUORDSA-N 1 2 231.292 -0.387 20 0 BBADLO CC(C)COC(=O)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611217 590826293 /nfs/dbraw/zinc/82/62/93/590826293.db2.gz ZNRXPRAATQYVDR-ZJUUUORDSA-N 1 2 231.292 -0.387 20 0 BBADLO CCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612019 590829885 /nfs/dbraw/zinc/82/98/85/590829885.db2.gz PJFFGTOCNAZYRC-HLTSFMKQSA-N 1 2 217.265 -0.635 20 0 BBADLO CCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612019 590829881 /nfs/dbraw/zinc/82/98/81/590829881.db2.gz PJFFGTOCNAZYRC-HLTSFMKQSA-N 1 2 217.265 -0.635 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612020 590829818 /nfs/dbraw/zinc/82/98/18/590829818.db2.gz PJFFGTOCNAZYRC-YIZRAAEISA-N 1 2 217.265 -0.635 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612020 590829815 /nfs/dbraw/zinc/82/98/15/590829815.db2.gz PJFFGTOCNAZYRC-YIZRAAEISA-N 1 2 217.265 -0.635 20 0 BBADLO CCCOC(=O)[C@H](C)[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612060 590830264 /nfs/dbraw/zinc/83/02/64/590830264.db2.gz QABMMIATIBEXKG-AEJSXWLSSA-N 1 2 231.292 -0.244 20 0 BBADLO CCCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612060 590830261 /nfs/dbraw/zinc/83/02/61/590830261.db2.gz QABMMIATIBEXKG-AEJSXWLSSA-N 1 2 231.292 -0.244 20 0 BBADLO CCCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612062 590829863 /nfs/dbraw/zinc/82/98/63/590829863.db2.gz QABMMIATIBEXKG-BBBLOLIVSA-N 1 2 231.292 -0.244 20 0 BBADLO CCCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612062 590829860 /nfs/dbraw/zinc/82/98/60/590829860.db2.gz QABMMIATIBEXKG-BBBLOLIVSA-N 1 2 231.292 -0.244 20 0 BBADLO CCOC(=O)[C@H](CC)[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612311 590829988 /nfs/dbraw/zinc/82/99/88/590829988.db2.gz VSSFSAFTGMJEHS-AEJSXWLSSA-N 1 2 231.292 -0.244 20 0 BBADLO CCOC(=O)[C@H](CC)[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612311 590829983 /nfs/dbraw/zinc/82/99/83/590829983.db2.gz VSSFSAFTGMJEHS-AEJSXWLSSA-N 1 2 231.292 -0.244 20 0 BBADLO CCOC(=O)[C@@H](CC)[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612312 590829568 /nfs/dbraw/zinc/82/95/68/590829568.db2.gz VSSFSAFTGMJEHS-BBBLOLIVSA-N 1 2 231.292 -0.244 20 0 BBADLO CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612312 590829566 /nfs/dbraw/zinc/82/95/66/590829566.db2.gz VSSFSAFTGMJEHS-BBBLOLIVSA-N 1 2 231.292 -0.244 20 0 BBADLO CC(C)(C)OC(=O)C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612827 590830925 /nfs/dbraw/zinc/83/09/25/590830925.db2.gz PTTTZIVCGZLXHU-BDAKNGLRSA-N 1 2 231.292 -0.244 20 0 BBADLO CC(C)(C)OC(=O)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612827 590830923 /nfs/dbraw/zinc/83/09/23/590830923.db2.gz PTTTZIVCGZLXHU-BDAKNGLRSA-N 1 2 231.292 -0.244 20 0 BBADLO O=C(C[N@@H+]1CC[C@@H](O)[C@@H](O)C1)NCC1CCC1 ZINC000879612851 590830052 /nfs/dbraw/zinc/83/00/52/590830052.db2.gz QREAEKFNLRGHLS-MNOVXSKESA-N 1 2 242.319 -0.670 20 0 BBADLO O=C(C[N@H+]1CC[C@@H](O)[C@@H](O)C1)NCC1CCC1 ZINC000879612851 590830047 /nfs/dbraw/zinc/83/00/47/590830047.db2.gz QREAEKFNLRGHLS-MNOVXSKESA-N 1 2 242.319 -0.670 20 0 BBADLO CC(C)CNC(=O)C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879613251 590830758 /nfs/dbraw/zinc/83/07/58/590830758.db2.gz DXKPGDPJDKFURH-ZJUUUORDSA-N 1 2 230.308 -0.814 20 0 BBADLO CC(C)CNC(=O)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879613251 590830757 /nfs/dbraw/zinc/83/07/57/590830757.db2.gz DXKPGDPJDKFURH-ZJUUUORDSA-N 1 2 230.308 -0.814 20 0 BBADLO CCCc1noc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)n1 ZINC000879613575 590829673 /nfs/dbraw/zinc/82/96/73/590829673.db2.gz NILMUNRZJYWTEM-BDAKNGLRSA-N 1 2 241.291 -0.050 20 0 BBADLO CCCc1noc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)n1 ZINC000879613575 590829672 /nfs/dbraw/zinc/82/96/72/590829672.db2.gz NILMUNRZJYWTEM-BDAKNGLRSA-N 1 2 241.291 -0.050 20 0 BBADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879613807 590830528 /nfs/dbraw/zinc/83/05/28/590830528.db2.gz RTFVAHABXKCSEF-AXFHLTTASA-N 1 2 244.335 -0.425 20 0 BBADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879613807 590830526 /nfs/dbraw/zinc/83/05/26/590830526.db2.gz RTFVAHABXKCSEF-AXFHLTTASA-N 1 2 244.335 -0.425 20 0 BBADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879613808 590830474 /nfs/dbraw/zinc/83/04/74/590830474.db2.gz RTFVAHABXKCSEF-MXWKQRLJSA-N 1 2 244.335 -0.425 20 0 BBADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879613808 590830471 /nfs/dbraw/zinc/83/04/71/590830471.db2.gz RTFVAHABXKCSEF-MXWKQRLJSA-N 1 2 244.335 -0.425 20 0 BBADLO CCCCOC(=O)C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879614324 590830663 /nfs/dbraw/zinc/83/06/63/590830663.db2.gz 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/nfs/dbraw/zinc/83/26/52/590832652.db2.gz MLEBMOMVGFYPEQ-QMMMGPOBSA-N 1 2 225.296 -0.197 20 0 BBADLO Cn1nnnc1C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879619090 590832649 /nfs/dbraw/zinc/83/26/49/590832649.db2.gz MLEBMOMVGFYPEQ-QMMMGPOBSA-N 1 2 225.296 -0.197 20 0 BBADLO Cn1cc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)nn1 ZINC000879622013 590835700 /nfs/dbraw/zinc/83/57/00/590835700.db2.gz TWWPZZYWXJMCAR-SSDOTTSWSA-N 1 2 247.262 -0.242 20 0 BBADLO Cn1cc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)nn1 ZINC000879622014 590836629 /nfs/dbraw/zinc/83/66/29/590836629.db2.gz TWWPZZYWXJMCAR-ZETCQYMHSA-N 1 2 247.262 -0.242 20 0 BBADLO Cn1[nH]c(C[N@H+]2C[C@H](O)CC(C)(C)C2)nc1=O ZINC000879622440 711770989 /nfs/dbraw/zinc/77/09/89/711770989.db2.gz JQTNPONIPWTJFL-MRVPVSSYSA-N 1 2 240.307 -0.299 20 0 BBADLO Cn1[nH]c(C[N@@H+]2C[C@H](O)CC(C)(C)C2)nc1=O ZINC000879622440 711770988 /nfs/dbraw/zinc/77/09/88/711770988.db2.gz JQTNPONIPWTJFL-MRVPVSSYSA-N 1 2 240.307 -0.299 20 0 BBADLO Cn1[nH]c(C[N@H+]2C[C@@H](O)CC(C)(C)C2)nc1=O ZINC000879622441 711771010 /nfs/dbraw/zinc/77/10/10/711771010.db2.gz JQTNPONIPWTJFL-QMMMGPOBSA-N 1 2 240.307 -0.299 20 0 BBADLO Cn1[nH]c(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)nc1=O ZINC000879622441 711771009 /nfs/dbraw/zinc/77/10/09/711771009.db2.gz JQTNPONIPWTJFL-QMMMGPOBSA-N 1 2 240.307 -0.299 20 0 BBADLO CC(C)[NH+]1CC(NC(=O)c2nnn(C)n2)C1 ZINC000879654444 590843066 /nfs/dbraw/zinc/84/30/66/590843066.db2.gz ILHYDGJLHCSSIL-UHFFFAOYSA-N 1 2 224.268 -0.968 20 0 BBADLO Cn1cnc(NC(=O)NCc2c[nH+]cn2C)n1 ZINC000879657406 590843605 /nfs/dbraw/zinc/84/36/05/590843605.db2.gz PSQYOMNRFHSIPO-UHFFFAOYSA-N 1 2 235.251 -0.130 20 0 BBADLO CC(C)COC(=O)C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879696971 590850734 /nfs/dbraw/zinc/85/07/34/590850734.db2.gz WKYXUNDRFXWRRK-PHIMTYICSA-N 1 2 245.319 -0.282 20 0 BBADLO CC(C)COC(=O)C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879696971 590850732 /nfs/dbraw/zinc/85/07/32/590850732.db2.gz WKYXUNDRFXWRRK-PHIMTYICSA-N 1 2 245.319 -0.282 20 0 BBADLO O=C1NCCO[C@@H]2CCC[N@H+](CCF)[C@H]12 ZINC000879720290 590855803 /nfs/dbraw/zinc/85/58/03/590855803.db2.gz FKJOORXAQCAIRI-BDAKNGLRSA-N 1 2 216.256 -0.065 20 0 BBADLO O=C1NCCO[C@@H]2CCC[N@@H+](CCF)[C@H]12 ZINC000879720290 590855801 /nfs/dbraw/zinc/85/58/01/590855801.db2.gz FKJOORXAQCAIRI-BDAKNGLRSA-N 1 2 216.256 -0.065 20 0 BBADLO O=C1NCCO[C@H]2CCC[N@H+](CCF)[C@@H]12 ZINC000879720295 590855622 /nfs/dbraw/zinc/85/56/22/590855622.db2.gz FKJOORXAQCAIRI-DTWKUNHWSA-N 1 2 216.256 -0.065 20 0 BBADLO O=C1NCCO[C@H]2CCC[N@@H+](CCF)[C@@H]12 ZINC000879720295 590855621 /nfs/dbraw/zinc/85/56/21/590855621.db2.gz FKJOORXAQCAIRI-DTWKUNHWSA-N 1 2 216.256 -0.065 20 0 BBADLO O=C1NCCO[C@H]2CCC[N@H+](CCF)[C@H]12 ZINC000879720297 590855064 /nfs/dbraw/zinc/85/50/64/590855064.db2.gz FKJOORXAQCAIRI-IUCAKERBSA-N 1 2 216.256 -0.065 20 0 BBADLO O=C1NCCO[C@H]2CCC[N@@H+](CCF)[C@H]12 ZINC000879720297 590855059 /nfs/dbraw/zinc/85/50/59/590855059.db2.gz FKJOORXAQCAIRI-IUCAKERBSA-N 1 2 216.256 -0.065 20 0 BBADLO O=C1NCCO[C@@H]2CCC[N@H+](CCF)[C@@H]12 ZINC000879720299 590855399 /nfs/dbraw/zinc/85/53/99/590855399.db2.gz FKJOORXAQCAIRI-RKDXNWHRSA-N 1 2 216.256 -0.065 20 0 BBADLO O=C1NCCO[C@@H]2CCC[N@@H+](CCF)[C@@H]12 ZINC000879720299 590855396 /nfs/dbraw/zinc/85/53/96/590855396.db2.gz FKJOORXAQCAIRI-RKDXNWHRSA-N 1 2 216.256 -0.065 20 0 BBADLO COC[C@@H](C[N@H+]1C[C@H](O)C[C@@H]1C(=O)OC)OC ZINC000879742300 590859352 /nfs/dbraw/zinc/85/93/52/590859352.db2.gz HDHPLVRPEIAHJB-OPRDCNLKSA-N 1 2 247.291 -0.744 20 0 BBADLO COC[C@@H](C[N@@H+]1C[C@H](O)C[C@@H]1C(=O)OC)OC ZINC000879742300 590859346 /nfs/dbraw/zinc/85/93/46/590859346.db2.gz HDHPLVRPEIAHJB-OPRDCNLKSA-N 1 2 247.291 -0.744 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1C[C@H]1COCCO1 ZINC000879743416 583445576 /nfs/dbraw/zinc/44/55/76/583445576.db2.gz INHJWPSRSRFUPK-KXUCPTDWSA-N 1 2 245.275 -0.990 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1C[C@H]1COCCO1 ZINC000879743416 583445575 /nfs/dbraw/zinc/44/55/75/583445575.db2.gz INHJWPSRSRFUPK-KXUCPTDWSA-N 1 2 245.275 -0.990 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1C[C@@H]1COCCO1 ZINC000879743417 583445322 /nfs/dbraw/zinc/44/53/22/583445322.db2.gz INHJWPSRSRFUPK-OPRDCNLKSA-N 1 2 245.275 -0.990 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1C[C@@H]1COCCO1 ZINC000879743417 583445318 /nfs/dbraw/zinc/44/53/18/583445318.db2.gz INHJWPSRSRFUPK-OPRDCNLKSA-N 1 2 245.275 -0.990 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1C[C@H](O)CSC ZINC000879743751 590859417 /nfs/dbraw/zinc/85/94/17/590859417.db2.gz FMIHZKZVTQETHM-HRDYMLBCSA-N 1 2 249.332 -0.682 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)CSC ZINC000879743751 590859414 /nfs/dbraw/zinc/85/94/14/590859414.db2.gz FMIHZKZVTQETHM-HRDYMLBCSA-N 1 2 249.332 -0.682 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1C[C@@H](O)CSC ZINC000879743752 590859795 /nfs/dbraw/zinc/85/97/95/590859795.db2.gz FMIHZKZVTQETHM-IWSPIJDZSA-N 1 2 249.332 -0.682 20 0 BBADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)CSC ZINC000879743752 590859793 /nfs/dbraw/zinc/85/97/93/590859793.db2.gz 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2 244.291 -0.063 20 0 BBADLO CONC(=O)C1CC[NH+](CC(=O)OC)CC1 ZINC000879922856 590889269 /nfs/dbraw/zinc/88/92/69/590889269.db2.gz OKXJWEDQDQGVMQ-UHFFFAOYSA-N 1 2 230.264 -0.451 20 0 BBADLO CONC(=O)C1CC[NH+](Cc2cnon2)CC1 ZINC000879926218 590891248 /nfs/dbraw/zinc/89/12/48/590891248.db2.gz OHLXIBYTZNERTF-UHFFFAOYSA-N 1 2 240.263 -0.041 20 0 BBADLO C[S@@](=N)(=O)N1CC[NH+](CCCO)CC1 ZINC000879938745 590892393 /nfs/dbraw/zinc/89/23/93/590892393.db2.gz IPTOBZUOKUQXAI-AWEZNQCLSA-N 1 2 221.326 -0.422 20 0 BBADLO C[S@](=N)(=O)N1CC[NH+](CCCO)CC1 ZINC000879938746 590892209 /nfs/dbraw/zinc/89/22/09/590892209.db2.gz IPTOBZUOKUQXAI-CQSZACIVSA-N 1 2 221.326 -0.422 20 0 BBADLO COC(=O)CC[NH+]1CCN([S@](C)(=N)=O)CC1 ZINC000879940277 590891734 /nfs/dbraw/zinc/89/17/34/590891734.db2.gz WDDWIUKCBVYROQ-INIZCTEOSA-N 1 2 249.336 -0.241 20 0 BBADLO COC(=O)CC[NH+]1CCN([S@@](C)(=N)=O)CC1 ZINC000879940278 590892755 /nfs/dbraw/zinc/89/27/55/590892755.db2.gz WDDWIUKCBVYROQ-MRXNPFEDSA-N 1 2 249.336 -0.241 20 0 BBADLO C[S@@](=N)(=O)N1CC[NH+](CCCCO)CC1 ZINC000879942327 590893872 /nfs/dbraw/zinc/89/38/72/590893872.db2.gz LMBRJTGLQBIJOK-HNNXBMFYSA-N 1 2 235.353 -0.032 20 0 BBADLO C[S@](=N)(=O)N1CC[NH+](CCCCO)CC1 ZINC000879942328 590894000 /nfs/dbraw/zinc/89/40/00/590894000.db2.gz LMBRJTGLQBIJOK-OAHLLOKOSA-N 1 2 235.353 -0.032 20 0 BBADLO CC[C@H](O)C[NH+]1CCN([S@@](C)(=N)=O)CC1 ZINC000879942680 590893937 /nfs/dbraw/zinc/89/39/37/590893937.db2.gz OXWWYHFMDUMHGN-BJOHPYRUSA-N 1 2 235.353 -0.034 20 0 BBADLO CC[C@@H](O)C[NH+]1CCN([S@](C)(=N)=O)CC1 ZINC000879942681 590894009 /nfs/dbraw/zinc/89/40/09/590894009.db2.gz OXWWYHFMDUMHGN-PSLIRLAXSA-N 1 2 235.353 -0.034 20 0 BBADLO CC[C@@H](O)C[NH+]1CCN([S@@](C)(=N)=O)CC1 ZINC000879942682 590893706 /nfs/dbraw/zinc/89/37/06/590893706.db2.gz OXWWYHFMDUMHGN-RFAUZJTJSA-N 1 2 235.353 -0.034 20 0 BBADLO CC[C@H](O)C[NH+]1CCN([S@](C)(=N)=O)CC1 ZINC000879942683 590893078 /nfs/dbraw/zinc/89/30/78/590893078.db2.gz OXWWYHFMDUMHGN-VFZGTOFNSA-N 1 2 235.353 -0.034 20 0 BBADLO CNC(=O)CC[NH+]1CCN([S@](C)(=N)=O)CC1 ZINC000879943584 590893500 /nfs/dbraw/zinc/89/35/00/590893500.db2.gz YCZONKYOHOECJI-INIZCTEOSA-N 1 2 248.352 -0.668 20 0 BBADLO CNC(=O)CC[NH+]1CCN([S@@](C)(=N)=O)CC1 ZINC000879943586 590893149 /nfs/dbraw/zinc/89/31/49/590893149.db2.gz YCZONKYOHOECJI-MRXNPFEDSA-N 1 2 248.352 -0.668 20 0 BBADLO C[C@@H](O)C[NH+]1CCN([S@](C)(=N)=O)CC1 ZINC000879947028 590892313 /nfs/dbraw/zinc/89/23/13/590892313.db2.gz OBMJAOCPPDMLBP-CLAHSXSESA-N 1 2 221.326 -0.424 20 0 BBADLO C[C@H](O)C[NH+]1CCN([S@@](C)(=N)=O)CC1 ZINC000879947030 590891602 /nfs/dbraw/zinc/89/16/02/590891602.db2.gz OBMJAOCPPDMLBP-RMLUDKJBSA-N 1 2 221.326 -0.424 20 0 BBADLO C[C@H](O)C[NH+]1CCN([S@](C)(=N)=O)CC1 ZINC000879947031 590891828 /nfs/dbraw/zinc/89/18/28/590891828.db2.gz OBMJAOCPPDMLBP-RTHLEPHNSA-N 1 2 221.326 -0.424 20 0 BBADLO C[C@@H](O)C[NH+]1CCN([S@@](C)(=N)=O)CC1 ZINC000879947032 590892472 /nfs/dbraw/zinc/89/24/72/590892472.db2.gz OBMJAOCPPDMLBP-XLKFXECMSA-N 1 2 221.326 -0.424 20 0 BBADLO C[C@H](O)CC[NH+]1CCN([S@@](C)(=N)=O)CC1 ZINC000879949292 590894637 /nfs/dbraw/zinc/89/46/37/590894637.db2.gz SMBPZRNUVOLEJU-BJOHPYRUSA-N 1 2 235.353 -0.034 20 0 BBADLO C[C@@H](O)CC[NH+]1CCN([S@](C)(=N)=O)CC1 ZINC000879949312 590895794 /nfs/dbraw/zinc/89/57/94/590895794.db2.gz SMBPZRNUVOLEJU-PSLIRLAXSA-N 1 2 235.353 -0.034 20 0 BBADLO C[C@@H](O)CC[NH+]1CCN([S@@](C)(=N)=O)CC1 ZINC000879949313 590894768 /nfs/dbraw/zinc/89/47/68/590894768.db2.gz SMBPZRNUVOLEJU-RFAUZJTJSA-N 1 2 235.353 -0.034 20 0 BBADLO C[C@H](O)CC[NH+]1CCN([S@](C)(=N)=O)CC1 ZINC000879949314 590889300 /nfs/dbraw/zinc/88/93/00/590889300.db2.gz SMBPZRNUVOLEJU-VFZGTOFNSA-N 1 2 235.353 -0.034 20 0 BBADLO COC(=O)C[NH+]1CCC(CO)(CO)CC1 ZINC000879967851 590900512 /nfs/dbraw/zinc/90/05/12/590900512.db2.gz FXMNCFRKWDQMFV-UHFFFAOYSA-N 1 2 217.265 -0.774 20 0 BBADLO COC(=O)[C@@H](C)[NH+]1CCC(CO)(CO)CC1 ZINC000879969091 590900857 /nfs/dbraw/zinc/90/08/57/590900857.db2.gz VKLFMDJQBIBPHI-SECBINFHSA-N 1 2 231.292 -0.385 20 0 BBADLO COC(=O)[C@H](C)[NH+]1CCC(CO)(CO)CC1 ZINC000879969092 590901475 /nfs/dbraw/zinc/90/14/75/590901475.db2.gz VKLFMDJQBIBPHI-VIFPVBQESA-N 1 2 231.292 -0.385 20 0 BBADLO Cc1nonc1C[NH+]1CCC(CO)(CO)CC1 ZINC000879970530 590901132 /nfs/dbraw/zinc/90/11/32/590901132.db2.gz URQAJVKJJYDVKR-UHFFFAOYSA-N 1 2 241.291 -0.055 20 0 BBADLO CC(=O)CC[N@H+](C)CCS(N)(=O)=O ZINC000880080785 590919586 /nfs/dbraw/zinc/91/95/86/590919586.db2.gz DDKBKNRLNIGDRX-UHFFFAOYSA-N 1 2 208.283 -0.814 20 0 BBADLO CC(=O)CC[N@@H+](C)CCS(N)(=O)=O ZINC000880080785 590919585 /nfs/dbraw/zinc/91/95/85/590919585.db2.gz DDKBKNRLNIGDRX-UHFFFAOYSA-N 1 2 208.283 -0.814 20 0 BBADLO C[N@H+](C/C=C\Cl)CCS(N)(=O)=O ZINC000880081648 590920381 /nfs/dbraw/zinc/92/03/81/590920381.db2.gz VFDMVBWJTPFCPL-IHWYPQMZSA-N 1 2 212.702 -0.041 20 0 BBADLO C[N@@H+](C/C=C\Cl)CCS(N)(=O)=O ZINC000880081648 590920380 /nfs/dbraw/zinc/92/03/80/590920380.db2.gz VFDMVBWJTPFCPL-IHWYPQMZSA-N 1 2 212.702 -0.041 20 0 BBADLO C[N@H+](C/C=C/Cl)CCS(N)(=O)=O ZINC000880081649 590920375 /nfs/dbraw/zinc/92/03/75/590920375.db2.gz VFDMVBWJTPFCPL-NSCUHMNNSA-N 1 2 212.702 -0.041 20 0 BBADLO C[N@@H+](C/C=C/Cl)CCS(N)(=O)=O ZINC000880081649 590920373 /nfs/dbraw/zinc/92/03/73/590920373.db2.gz VFDMVBWJTPFCPL-NSCUHMNNSA-N 1 2 212.702 -0.041 20 0 BBADLO Cc1oncc1C[N@@H+](C)CCS(N)(=O)=O ZINC000880083923 590921823 /nfs/dbraw/zinc/92/18/23/590921823.db2.gz DZIWVAFZLGRYLJ-UHFFFAOYSA-N 1 2 233.293 -0.297 20 0 BBADLO Cc1oncc1C[N@H+](C)CCS(N)(=O)=O ZINC000880083923 590921820 /nfs/dbraw/zinc/92/18/20/590921820.db2.gz DZIWVAFZLGRYLJ-UHFFFAOYSA-N 1 2 233.293 -0.297 20 0 BBADLO C[N@@H+](CCC(=O)C1CC1)CCS(N)(=O)=O ZINC000880084344 590921260 /nfs/dbraw/zinc/92/12/60/590921260.db2.gz KKVXJPRQCMRGEC-UHFFFAOYSA-N 1 2 234.321 -0.424 20 0 BBADLO C[N@H+](CCC(=O)C1CC1)CCS(N)(=O)=O ZINC000880084344 590921258 /nfs/dbraw/zinc/92/12/58/590921258.db2.gz KKVXJPRQCMRGEC-UHFFFAOYSA-N 1 2 234.321 -0.424 20 0 BBADLO CCC(=O)CC[N@@H+](C)CCS(N)(=O)=O ZINC000880084623 590919110 /nfs/dbraw/zinc/91/91/10/590919110.db2.gz NUDFRCTZZGBKCY-UHFFFAOYSA-N 1 2 222.310 -0.424 20 0 BBADLO CCC(=O)CC[N@H+](C)CCS(N)(=O)=O ZINC000880084623 590919106 /nfs/dbraw/zinc/91/91/06/590919106.db2.gz NUDFRCTZZGBKCY-UHFFFAOYSA-N 1 2 222.310 -0.424 20 0 BBADLO C[N@@H+](CCc1cscn1)CCS(N)(=O)=O ZINC000880085166 590921752 /nfs/dbraw/zinc/92/17/52/590921752.db2.gz CKISHOUBHBZJLX-UHFFFAOYSA-N 1 2 249.361 -0.094 20 0 BBADLO C[N@H+](CCc1cscn1)CCS(N)(=O)=O ZINC000880085166 590921751 /nfs/dbraw/zinc/92/17/51/590921751.db2.gz CKISHOUBHBZJLX-UHFFFAOYSA-N 1 2 249.361 -0.094 20 0 BBADLO CC(C)C(=O)CC[N@@H+](C)CCS(N)(=O)=O ZINC000880085219 590921604 /nfs/dbraw/zinc/92/16/04/590921604.db2.gz FSRQOIQHDDKHBA-UHFFFAOYSA-N 1 2 236.337 -0.178 20 0 BBADLO CC(C)C(=O)CC[N@H+](C)CCS(N)(=O)=O ZINC000880085219 590921601 /nfs/dbraw/zinc/92/16/01/590921601.db2.gz FSRQOIQHDDKHBA-UHFFFAOYSA-N 1 2 236.337 -0.178 20 0 BBADLO CCN(C#N)CC[N@@H+](C)CCS(N)(=O)=O ZINC000880085355 590921708 /nfs/dbraw/zinc/92/17/08/590921708.db2.gz KJUGNAFFIQGJPE-UHFFFAOYSA-N 1 2 234.325 -0.990 20 0 BBADLO CCN(C#N)CC[N@H+](C)CCS(N)(=O)=O ZINC000880085355 590921705 /nfs/dbraw/zinc/92/17/05/590921705.db2.gz KJUGNAFFIQGJPE-UHFFFAOYSA-N 1 2 234.325 -0.990 20 0 BBADLO C[N@@H+](CCS(N)(=O)=O)Cc1cccc(F)n1 ZINC000880085474 590922450 /nfs/dbraw/zinc/92/24/50/590922450.db2.gz OUPOABWZPYROFK-UHFFFAOYSA-N 1 2 247.295 -0.059 20 0 BBADLO C[N@H+](CCS(N)(=O)=O)Cc1cccc(F)n1 ZINC000880085474 590922449 /nfs/dbraw/zinc/92/24/49/590922449.db2.gz OUPOABWZPYROFK-UHFFFAOYSA-N 1 2 247.295 -0.059 20 0 BBADLO COc1cc[nH+]cc1CNC(=O)c1nnn(C)n1 ZINC000880103324 590926231 /nfs/dbraw/zinc/92/62/31/590926231.db2.gz UNNSPBRIAAEDRN-UHFFFAOYSA-N 1 2 248.246 -0.456 20 0 BBADLO CNC(=O)C[NH+](CCCSC)CC(=O)NC ZINC000880151288 590945491 /nfs/dbraw/zinc/94/54/91/590945491.db2.gz CRHWRNJCNGDJCW-UHFFFAOYSA-N 1 2 247.364 -0.467 20 0 BBADLO CNC(=O)C[NH+](CCSC)CC(=O)NC ZINC000880151389 590946310 /nfs/dbraw/zinc/94/63/10/590946310.db2.gz ZLDCGEYWLMYNGJ-UHFFFAOYSA-N 1 2 233.337 -0.857 20 0 BBADLO CNC(=O)C[NH+](CC(=O)NC)[C@H]1C=CCCC1 ZINC000880151713 590945679 /nfs/dbraw/zinc/94/56/79/590945679.db2.gz JUMLXBRXFIEOSJ-JTQLQIEISA-N 1 2 239.319 -0.111 20 0 BBADLO CNC(=O)C[NH+](CC(=O)NC)[C@@H]1C=CCCC1 ZINC000880151714 590945518 /nfs/dbraw/zinc/94/55/18/590945518.db2.gz JUMLXBRXFIEOSJ-SNVBAGLBSA-N 1 2 239.319 -0.111 20 0 BBADLO CNC(=O)C[NH+](CCCF)CC(=O)NC ZINC000880152019 590946962 /nfs/dbraw/zinc/94/69/62/590946962.db2.gz PRTMJPSKWAXNAF-UHFFFAOYSA-N 1 2 219.260 -0.860 20 0 BBADLO CNC(=O)C[NH+](CCC1CC1)CC(=O)NC ZINC000880152164 590943859 /nfs/dbraw/zinc/94/38/59/590943859.db2.gz WCKARNDILOTECQ-UHFFFAOYSA-N 1 2 227.308 -0.420 20 0 BBADLO CNC(=O)C[NH+](CCCCCF)CC(=O)NC ZINC000880153010 590946660 /nfs/dbraw/zinc/94/66/60/590946660.db2.gz BQXPZZSCULEJBN-UHFFFAOYSA-N 1 2 247.314 -0.080 20 0 BBADLO CNC(=O)C[NH+](CCCC1CC1)CC(=O)NC ZINC000880153027 590947145 /nfs/dbraw/zinc/94/71/45/590947145.db2.gz CCXUFDUZNACKMM-UHFFFAOYSA-N 1 2 241.335 -0.029 20 0 BBADLO CNC(=O)C[NH+](CCC1CCC1)CC(=O)NC ZINC000880153113 590946953 /nfs/dbraw/zinc/94/69/53/590946953.db2.gz FZASWRZIHZFOMJ-UHFFFAOYSA-N 1 2 241.335 -0.029 20 0 BBADLO C=C/C=C/CC[NH+](CC(=O)NC)CC(=O)NC ZINC000880153131 590946996 /nfs/dbraw/zinc/94/69/96/590946996.db2.gz GSZVMBSORKEIBZ-AATRIKPKSA-N 1 2 239.319 -0.087 20 0 BBADLO C=C/C=C\CC[NH+](CC(=O)NC)CC(=O)NC ZINC000880153132 590947132 /nfs/dbraw/zinc/94/71/32/590947132.db2.gz GSZVMBSORKEIBZ-WAYWQWQTSA-N 1 2 239.319 -0.087 20 0 BBADLO CNC(=O)C[NH+](CC(=O)NC)CC1(C)CCC1 ZINC000880153775 590947051 /nfs/dbraw/zinc/94/70/51/590947051.db2.gz UQBCAWLXIKVAPZ-UHFFFAOYSA-N 1 2 241.335 -0.029 20 0 BBADLO CNC(=O)C[NH+](CCCCF)CC(=O)NC ZINC000880153991 590946760 /nfs/dbraw/zinc/94/67/60/590946760.db2.gz VYAVYFXIGUTDOR-UHFFFAOYSA-N 1 2 233.287 -0.470 20 0 BBADLO CNC(=O)C[NH+](CC(=O)NC)CC1=CCCC1 ZINC000880154029 590946980 /nfs/dbraw/zinc/94/69/80/590946980.db2.gz WLWFHCJZYJRQKB-UHFFFAOYSA-N 1 2 239.319 -0.109 20 0 BBADLO CC[C@H](C[NH+](CC(=O)NC)CC(=O)NC)OC ZINC000880154095 590947099 /nfs/dbraw/zinc/94/70/99/590947099.db2.gz WZWFQCOMMDPCFA-SECBINFHSA-N 1 2 245.323 -0.795 20 0 BBADLO CC[C@@H](C[NH+](CC(=O)NC)CC(=O)NC)OC ZINC000880154098 590946749 /nfs/dbraw/zinc/94/67/49/590946749.db2.gz WZWFQCOMMDPCFA-VIFPVBQESA-N 1 2 245.323 -0.795 20 0 BBADLO COC(=O)C[N@H+]1CCNC(=O)CC12CCC2 ZINC000880167191 590948859 /nfs/dbraw/zinc/94/88/59/590948859.db2.gz JFTZIOKYHXSQLL-UHFFFAOYSA-N 1 2 226.276 -0.096 20 0 BBADLO COC(=O)C[N@@H+]1CCNC(=O)CC12CCC2 ZINC000880167191 590948858 /nfs/dbraw/zinc/94/88/58/590948858.db2.gz JFTZIOKYHXSQLL-UHFFFAOYSA-N 1 2 226.276 -0.096 20 0 BBADLO Nc1nc(N)nc(C[NH+]2CCC(F)CC2)n1 ZINC000880243514 590977051 /nfs/dbraw/zinc/97/70/51/590977051.db2.gz LCTNMTHTGQOTGQ-UHFFFAOYSA-N 1 2 226.259 -0.030 20 0 BBADLO Nc1nc(N)nc(C[N@H+]2CC[C@@H](CF)C2)n1 ZINC000880292925 590987912 /nfs/dbraw/zinc/98/79/12/590987912.db2.gz YCGOIOBGTRWUFA-LURJTMIESA-N 1 2 226.259 -0.173 20 0 BBADLO Nc1nc(N)nc(C[N@@H+]2CC[C@@H](CF)C2)n1 ZINC000880292925 590987910 /nfs/dbraw/zinc/98/79/10/590987910.db2.gz YCGOIOBGTRWUFA-LURJTMIESA-N 1 2 226.259 -0.173 20 0 BBADLO Nc1nc(N)nc(C[N@H+]2CC[C@H](CF)C2)n1 ZINC000880292928 590986702 /nfs/dbraw/zinc/98/67/02/590986702.db2.gz YCGOIOBGTRWUFA-ZCFIWIBFSA-N 1 2 226.259 -0.173 20 0 BBADLO Nc1nc(N)nc(C[N@@H+]2CC[C@H](CF)C2)n1 ZINC000880292928 590986701 /nfs/dbraw/zinc/98/67/01/590986701.db2.gz YCGOIOBGTRWUFA-ZCFIWIBFSA-N 1 2 226.259 -0.173 20 0 BBADLO COC(=O)[C@@H]([NH2+]CCCO)C1CCOCC1 ZINC000880333887 591006703 /nfs/dbraw/zinc/00/67/03/591006703.db2.gz BWZLFPPYTGQIQQ-JTQLQIEISA-N 1 2 231.292 -0.073 20 0 BBADLO COC(=O)[C@H]([NH2+]CCCO)C1CCOCC1 ZINC000880333889 591007164 /nfs/dbraw/zinc/00/71/64/591007164.db2.gz BWZLFPPYTGQIQQ-SNVBAGLBSA-N 1 2 231.292 -0.073 20 0 BBADLO COC(=O)[C@H]([NH2+]CCO)C1CCOCC1 ZINC000880334572 591006395 /nfs/dbraw/zinc/00/63/95/591006395.db2.gz DDQNMAJEHAZSCL-SECBINFHSA-N 1 2 217.265 -0.464 20 0 BBADLO 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/nfs/dbraw/zinc/05/75/51/591057551.db2.gz SYICPYRRXQTMBL-MNOVXSKESA-N 1 2 240.303 -0.486 20 0 BBADLO O=C(C[N@@H+]1CC=C[C@H]1CO)NC[C@@H]1CCCO1 ZINC000880484702 591058992 /nfs/dbraw/zinc/05/89/92/591058992.db2.gz SYICPYRRXQTMBL-QWRGUYRKSA-N 1 2 240.303 -0.486 20 0 BBADLO O=C(C[N@H+]1CC=C[C@H]1CO)NC[C@@H]1CCCO1 ZINC000880484702 591058988 /nfs/dbraw/zinc/05/89/88/591058988.db2.gz SYICPYRRXQTMBL-QWRGUYRKSA-N 1 2 240.303 -0.486 20 0 BBADLO O=C(C[N@@H+]1CC=C[C@H]1CO)NC[C@H]1CCCO1 ZINC000880484703 591059418 /nfs/dbraw/zinc/05/94/18/591059418.db2.gz SYICPYRRXQTMBL-WDEREUQCSA-N 1 2 240.303 -0.486 20 0 BBADLO O=C(C[N@H+]1CC=C[C@H]1CO)NC[C@H]1CCCO1 ZINC000880484703 591059414 /nfs/dbraw/zinc/05/94/14/591059414.db2.gz SYICPYRRXQTMBL-WDEREUQCSA-N 1 2 240.303 -0.486 20 0 BBADLO O=C(C[N@@H+]1CC=C[C@@H]1CO)NCc1cccnc1 ZINC000880486279 591060713 /nfs/dbraw/zinc/06/07/13/591060713.db2.gz NFILMPZYZGGFHQ-GFCCVEGCSA-N 1 2 247.298 -0.070 20 0 BBADLO O=C(C[N@H+]1CC=C[C@@H]1CO)NCc1cccnc1 ZINC000880486279 591060710 /nfs/dbraw/zinc/06/07/10/591060710.db2.gz NFILMPZYZGGFHQ-GFCCVEGCSA-N 1 2 247.298 -0.070 20 0 BBADLO O=C(C[N@@H+]1CC=C[C@H]1CO)NCc1cccnc1 ZINC000880486280 591061764 /nfs/dbraw/zinc/06/17/64/591061764.db2.gz NFILMPZYZGGFHQ-LBPRGKRZSA-N 1 2 247.298 -0.070 20 0 BBADLO O=C(C[N@H+]1CC=C[C@H]1CO)NCc1cccnc1 ZINC000880486280 591061759 /nfs/dbraw/zinc/06/17/59/591061759.db2.gz NFILMPZYZGGFHQ-LBPRGKRZSA-N 1 2 247.298 -0.070 20 0 BBADLO CS(=O)(=O)CCC[N@H+]1CC=C[C@@H]1CO ZINC000880486862 591060597 /nfs/dbraw/zinc/06/05/97/591060597.db2.gz QBLZSTXHXWNDGK-SECBINFHSA-N 1 2 219.306 -0.346 20 0 BBADLO CS(=O)(=O)CCC[N@@H+]1CC=C[C@@H]1CO ZINC000880486862 591060593 /nfs/dbraw/zinc/06/05/93/591060593.db2.gz QBLZSTXHXWNDGK-SECBINFHSA-N 1 2 219.306 -0.346 20 0 BBADLO CS(=O)(=O)CCC[N@H+]1CC=C[C@H]1CO ZINC000880486865 591061317 /nfs/dbraw/zinc/06/13/17/591061317.db2.gz QBLZSTXHXWNDGK-VIFPVBQESA-N 1 2 219.306 -0.346 20 0 BBADLO CS(=O)(=O)CCC[N@@H+]1CC=C[C@H]1CO ZINC000880486865 591061314 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/nfs/dbraw/zinc/06/41/81/591064181.db2.gz WAEBCOHTGZHNCL-LBPRGKRZSA-N 1 2 247.298 -0.070 20 0 BBADLO CCOCCNC(=O)C[N@H+]1CC=C[C@H]1CO ZINC000880487714 591064794 /nfs/dbraw/zinc/06/47/94/591064794.db2.gz ZBYYIDKOMXQMPG-JTQLQIEISA-N 1 2 228.292 -0.628 20 0 BBADLO CCOCCNC(=O)C[N@@H+]1CC=C[C@H]1CO ZINC000880487714 591064790 /nfs/dbraw/zinc/06/47/90/591064790.db2.gz ZBYYIDKOMXQMPG-JTQLQIEISA-N 1 2 228.292 -0.628 20 0 BBADLO CCOCCNC(=O)C[N@H+]1CC=C[C@@H]1CO ZINC000880487715 591062849 /nfs/dbraw/zinc/06/28/49/591062849.db2.gz ZBYYIDKOMXQMPG-SNVBAGLBSA-N 1 2 228.292 -0.628 20 0 BBADLO CCOCCNC(=O)C[N@@H+]1CC=C[C@@H]1CO ZINC000880487715 591062845 /nfs/dbraw/zinc/06/28/45/591062845.db2.gz ZBYYIDKOMXQMPG-SNVBAGLBSA-N 1 2 228.292 -0.628 20 0 BBADLO Nc1ccnc(C[N@H+]2CC=C[C@@H]2CO)n1 ZINC000880488360 591062346 /nfs/dbraw/zinc/06/23/46/591062346.db2.gz CYVQAUJWWWOEAR-MRVPVSSYSA-N 1 2 206.249 -0.209 20 0 BBADLO Nc1ccnc(C[N@@H+]2CC=C[C@@H]2CO)n1 ZINC000880488360 591062340 /nfs/dbraw/zinc/06/23/40/591062340.db2.gz CYVQAUJWWWOEAR-MRVPVSSYSA-N 1 2 206.249 -0.209 20 0 BBADLO Nc1ccnc(C[N@H+]2CC=C[C@H]2CO)n1 ZINC000880488361 583545220 /nfs/dbraw/zinc/54/52/20/583545220.db2.gz CYVQAUJWWWOEAR-QMMMGPOBSA-N 1 2 206.249 -0.209 20 0 BBADLO Nc1ccnc(C[N@@H+]2CC=C[C@H]2CO)n1 ZINC000880488361 583545219 /nfs/dbraw/zinc/54/52/19/583545219.db2.gz CYVQAUJWWWOEAR-QMMMGPOBSA-N 1 2 206.249 -0.209 20 0 BBADLO O=C(C[N@@H+]1CC=C[C@@H]1CO)Nc1cnccn1 ZINC000880494501 591074334 /nfs/dbraw/zinc/07/43/34/591074334.db2.gz OGXVUHWETGYOBY-SECBINFHSA-N 1 2 234.259 -0.352 20 0 BBADLO O=C(C[N@H+]1CC=C[C@@H]1CO)Nc1cnccn1 ZINC000880494501 591074331 /nfs/dbraw/zinc/07/43/31/591074331.db2.gz OGXVUHWETGYOBY-SECBINFHSA-N 1 2 234.259 -0.352 20 0 BBADLO O=C(C[N@@H+]1CC=C[C@H]1CO)Nc1cnccn1 ZINC000880494502 591073977 /nfs/dbraw/zinc/07/39/77/591073977.db2.gz OGXVUHWETGYOBY-VIFPVBQESA-N 1 2 234.259 -0.352 20 0 BBADLO O=C(C[N@H+]1CC=C[C@H]1CO)Nc1cnccn1 ZINC000880494502 591073976 /nfs/dbraw/zinc/07/39/76/591073976.db2.gz OGXVUHWETGYOBY-VIFPVBQESA-N 1 2 234.259 -0.352 20 0 BBADLO CNC(=O)C[N@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880523730 645834523 /nfs/dbraw/zinc/83/45/23/645834523.db2.gz KXLQESHSBUZZPQ-PSASIEDQSA-N 1 2 225.292 -0.667 20 0 BBADLO CNC(=O)C[N@@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880523730 645834517 /nfs/dbraw/zinc/83/45/17/645834517.db2.gz KXLQESHSBUZZPQ-PSASIEDQSA-N 1 2 225.292 -0.667 20 0 BBADLO CNC(=O)C[N@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880523731 645835046 /nfs/dbraw/zinc/83/50/46/645835046.db2.gz KXLQESHSBUZZPQ-SCZZXKLOSA-N 1 2 225.292 -0.667 20 0 BBADLO CNC(=O)C[N@@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880523731 645835041 /nfs/dbraw/zinc/83/50/41/645835041.db2.gz KXLQESHSBUZZPQ-SCZZXKLOSA-N 1 2 225.292 -0.667 20 0 BBADLO CNC(=O)C[N@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880523732 645835238 /nfs/dbraw/zinc/83/52/38/645835238.db2.gz KXLQESHSBUZZPQ-WCBMZHEXSA-N 1 2 225.292 -0.667 20 0 BBADLO CNC(=O)C[N@@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880523732 645835235 /nfs/dbraw/zinc/83/52/35/645835235.db2.gz KXLQESHSBUZZPQ-WCBMZHEXSA-N 1 2 225.292 -0.667 20 0 BBADLO CNC(=O)C[N@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880523733 645834710 /nfs/dbraw/zinc/83/47/10/645834710.db2.gz KXLQESHSBUZZPQ-WPRPVWTQSA-N 1 2 225.292 -0.667 20 0 BBADLO CNC(=O)C[N@@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880523733 645834709 /nfs/dbraw/zinc/83/47/09/645834709.db2.gz KXLQESHSBUZZPQ-WPRPVWTQSA-N 1 2 225.292 -0.667 20 0 BBADLO Cn1cc(C[N@H+]2CCC[C@H]3CCNC(=O)[C@@H]32)nn1 ZINC000880531127 591085911 /nfs/dbraw/zinc/08/59/11/591085911.db2.gz VUBHXBFERFHFFB-GXSJLCMTSA-N 1 2 249.318 -0.084 20 0 BBADLO Cn1cc(C[N@@H+]2CCC[C@H]3CCNC(=O)[C@@H]32)nn1 ZINC000880531127 591085906 /nfs/dbraw/zinc/08/59/06/591085906.db2.gz VUBHXBFERFHFFB-GXSJLCMTSA-N 1 2 249.318 -0.084 20 0 BBADLO Cn1cc(C[N@H+]2CCC[C@@H]3CCNC(=O)[C@H]32)nn1 ZINC000880531128 591085788 /nfs/dbraw/zinc/08/57/88/591085788.db2.gz VUBHXBFERFHFFB-KOLCDFICSA-N 1 2 249.318 -0.084 20 0 BBADLO Cn1cc(C[N@@H+]2CCC[C@@H]3CCNC(=O)[C@H]32)nn1 ZINC000880531128 591085785 /nfs/dbraw/zinc/08/57/85/591085785.db2.gz VUBHXBFERFHFFB-KOLCDFICSA-N 1 2 249.318 -0.084 20 0 BBADLO Cn1cc(C[N@H+]2CCC[C@@H]3CCNC(=O)[C@@H]32)nn1 ZINC000880531129 591086065 /nfs/dbraw/zinc/08/60/65/591086065.db2.gz VUBHXBFERFHFFB-MWLCHTKSSA-N 1 2 249.318 -0.084 20 0 BBADLO Cn1cc(C[N@@H+]2CCC[C@@H]3CCNC(=O)[C@@H]32)nn1 ZINC000880531129 591086060 /nfs/dbraw/zinc/08/60/60/591086060.db2.gz VUBHXBFERFHFFB-MWLCHTKSSA-N 1 2 249.318 -0.084 20 0 BBADLO Cn1cc(C[N@H+]2CCC[C@H]3CCNC(=O)[C@H]32)nn1 ZINC000880531130 591085061 /nfs/dbraw/zinc/08/50/61/591085061.db2.gz VUBHXBFERFHFFB-ONGXEEELSA-N 1 2 249.318 -0.084 20 0 BBADLO Cn1cc(C[N@@H+]2CCC[C@H]3CCNC(=O)[C@H]32)nn1 ZINC000880531130 591085055 /nfs/dbraw/zinc/08/50/55/591085055.db2.gz VUBHXBFERFHFFB-ONGXEEELSA-N 1 2 249.318 -0.084 20 0 BBADLO CCNC(=O)C[N@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880531530 591085730 /nfs/dbraw/zinc/08/57/30/591085730.db2.gz LDEPDGOMESZTDY-GXSJLCMTSA-N 1 2 239.319 -0.277 20 0 BBADLO CCNC(=O)C[N@@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880531530 591085726 /nfs/dbraw/zinc/08/57/26/591085726.db2.gz LDEPDGOMESZTDY-GXSJLCMTSA-N 1 2 239.319 -0.277 20 0 BBADLO CCNC(=O)C[N@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880531531 591085373 /nfs/dbraw/zinc/08/53/73/591085373.db2.gz LDEPDGOMESZTDY-KOLCDFICSA-N 1 2 239.319 -0.277 20 0 BBADLO CCNC(=O)C[N@@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880531531 591085368 /nfs/dbraw/zinc/08/53/68/591085368.db2.gz LDEPDGOMESZTDY-KOLCDFICSA-N 1 2 239.319 -0.277 20 0 BBADLO CCNC(=O)C[N@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880531532 591084933 /nfs/dbraw/zinc/08/49/33/591084933.db2.gz LDEPDGOMESZTDY-MWLCHTKSSA-N 1 2 239.319 -0.277 20 0 BBADLO CCNC(=O)C[N@@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880531532 591084928 /nfs/dbraw/zinc/08/49/28/591084928.db2.gz LDEPDGOMESZTDY-MWLCHTKSSA-N 1 2 239.319 -0.277 20 0 BBADLO CCNC(=O)C[N@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880531533 591085556 /nfs/dbraw/zinc/08/55/56/591085556.db2.gz LDEPDGOMESZTDY-ONGXEEELSA-N 1 2 239.319 -0.277 20 0 BBADLO CCNC(=O)C[N@@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880531533 591085545 /nfs/dbraw/zinc/08/55/45/591085545.db2.gz LDEPDGOMESZTDY-ONGXEEELSA-N 1 2 239.319 -0.277 20 0 BBADLO NC(=O)C[N@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880531847 591085161 /nfs/dbraw/zinc/08/51/61/591085161.db2.gz MAEWKTWPVHCFTL-APPZFPTMSA-N 1 2 211.265 -0.928 20 0 BBADLO NC(=O)C[N@@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880531847 591085157 /nfs/dbraw/zinc/08/51/57/591085157.db2.gz MAEWKTWPVHCFTL-APPZFPTMSA-N 1 2 211.265 -0.928 20 0 BBADLO NC(=O)C[N@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880531849 591085499 /nfs/dbraw/zinc/08/54/99/591085499.db2.gz MAEWKTWPVHCFTL-CBAPKCEASA-N 1 2 211.265 -0.928 20 0 BBADLO NC(=O)C[N@@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880531849 591085495 /nfs/dbraw/zinc/08/54/95/591085495.db2.gz MAEWKTWPVHCFTL-CBAPKCEASA-N 1 2 211.265 -0.928 20 0 BBADLO NC(=O)C[N@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880531851 591085689 /nfs/dbraw/zinc/08/56/89/591085689.db2.gz MAEWKTWPVHCFTL-IONNQARKSA-N 1 2 211.265 -0.928 20 0 BBADLO NC(=O)C[N@@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880531851 591085685 /nfs/dbraw/zinc/08/56/85/591085685.db2.gz MAEWKTWPVHCFTL-IONNQARKSA-N 1 2 211.265 -0.928 20 0 BBADLO NC(=O)C[N@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880531852 591085863 /nfs/dbraw/zinc/08/58/63/591085863.db2.gz MAEWKTWPVHCFTL-VXNVDRBHSA-N 1 2 211.265 -0.928 20 0 BBADLO NC(=O)C[N@@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880531852 591085859 /nfs/dbraw/zinc/08/58/59/591085859.db2.gz MAEWKTWPVHCFTL-VXNVDRBHSA-N 1 2 211.265 -0.928 20 0 BBADLO COC(=O)[C@]1(O)CC[N@@H+](Cc2nc(C)no2)C1 ZINC000880559076 591091161 /nfs/dbraw/zinc/09/11/61/591091161.db2.gz AEKAINAMQQFJDU-JTQLQIEISA-N 1 2 241.247 -0.512 20 0 BBADLO COC(=O)[C@]1(O)CC[N@H+](Cc2nc(C)no2)C1 ZINC000880559076 591091157 /nfs/dbraw/zinc/09/11/57/591091157.db2.gz AEKAINAMQQFJDU-JTQLQIEISA-N 1 2 241.247 -0.512 20 0 BBADLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2nc(C)no2)C1 ZINC000880559077 591092766 /nfs/dbraw/zinc/09/27/66/591092766.db2.gz AEKAINAMQQFJDU-SNVBAGLBSA-N 1 2 241.247 -0.512 20 0 BBADLO COC(=O)[C@@]1(O)CC[N@H+](Cc2nc(C)no2)C1 ZINC000880559077 591092763 /nfs/dbraw/zinc/09/27/63/591092763.db2.gz AEKAINAMQQFJDU-SNVBAGLBSA-N 1 2 241.247 -0.512 20 0 BBADLO COC(=O)[C@@H](C)[N@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880559325 591092350 /nfs/dbraw/zinc/09/23/50/591092350.db2.gz CCJCBHCBEIUWBB-GMSGAONNSA-N 1 2 231.248 -0.842 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880559325 591092348 /nfs/dbraw/zinc/09/23/48/591092348.db2.gz CCJCBHCBEIUWBB-GMSGAONNSA-N 1 2 231.248 -0.842 20 0 BBADLO COC(=O)[C@H](C)[N@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880559326 591091375 /nfs/dbraw/zinc/09/13/75/591091375.db2.gz CCJCBHCBEIUWBB-OIBJUYFYSA-N 1 2 231.248 -0.842 20 0 BBADLO COC(=O)[C@H](C)[N@@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880559326 591091371 /nfs/dbraw/zinc/09/13/71/591091371.db2.gz CCJCBHCBEIUWBB-OIBJUYFYSA-N 1 2 231.248 -0.842 20 0 BBADLO COC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880559327 591091580 /nfs/dbraw/zinc/09/15/80/591091580.db2.gz CCJCBHCBEIUWBB-XCBNKYQSSA-N 1 2 231.248 -0.842 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880559327 591091576 /nfs/dbraw/zinc/09/15/76/591091576.db2.gz CCJCBHCBEIUWBB-XCBNKYQSSA-N 1 2 231.248 -0.842 20 0 BBADLO COC(=O)[C@H](C)[N@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880559328 591091892 /nfs/dbraw/zinc/09/18/92/591091892.db2.gz CCJCBHCBEIUWBB-XVKPBYJWSA-N 1 2 231.248 -0.842 20 0 BBADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880559328 591091890 /nfs/dbraw/zinc/09/18/90/591091890.db2.gz CCJCBHCBEIUWBB-XVKPBYJWSA-N 1 2 231.248 -0.842 20 0 BBADLO CC[C@@H](C(=O)OC)[N@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880560603 591090943 /nfs/dbraw/zinc/09/09/43/591090943.db2.gz PDIQKMYISSGTMT-GZMMTYOYSA-N 1 2 245.275 -0.452 20 0 BBADLO CC[C@@H](C(=O)OC)[N@@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880560603 591090940 /nfs/dbraw/zinc/09/09/40/591090940.db2.gz PDIQKMYISSGTMT-GZMMTYOYSA-N 1 2 245.275 -0.452 20 0 BBADLO CC[C@H](C(=O)OC)[N@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880560604 591092875 /nfs/dbraw/zinc/09/28/75/591092875.db2.gz PDIQKMYISSGTMT-KCJUWKMLSA-N 1 2 245.275 -0.452 20 0 BBADLO CC[C@H](C(=O)OC)[N@@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880560604 591092871 /nfs/dbraw/zinc/09/28/71/591092871.db2.gz PDIQKMYISSGTMT-KCJUWKMLSA-N 1 2 245.275 -0.452 20 0 BBADLO CC[C@@H](C(=O)OC)[N@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880560605 591091013 /nfs/dbraw/zinc/09/10/13/591091013.db2.gz PDIQKMYISSGTMT-KWQFWETISA-N 1 2 245.275 -0.452 20 0 BBADLO CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880560605 591091006 /nfs/dbraw/zinc/09/10/06/591091006.db2.gz PDIQKMYISSGTMT-KWQFWETISA-N 1 2 245.275 -0.452 20 0 BBADLO CC[C@H](C(=O)OC)[N@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880560606 591092753 /nfs/dbraw/zinc/09/27/53/591092753.db2.gz PDIQKMYISSGTMT-LDYMZIIASA-N 1 2 245.275 -0.452 20 0 BBADLO CC[C@H](C(=O)OC)[N@@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880560606 591092748 /nfs/dbraw/zinc/09/27/48/591092748.db2.gz PDIQKMYISSGTMT-LDYMZIIASA-N 1 2 245.275 -0.452 20 0 BBADLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2nccn2C)C1 ZINC000880560819 591090504 /nfs/dbraw/zinc/09/05/04/591090504.db2.gz GQEQUOLPFDRETB-LLVKDONJSA-N 1 2 239.275 -0.470 20 0 BBADLO COC(=O)[C@@]1(O)CC[N@H+](Cc2nccn2C)C1 ZINC000880560819 591090499 /nfs/dbraw/zinc/09/04/99/591090499.db2.gz GQEQUOLPFDRETB-LLVKDONJSA-N 1 2 239.275 -0.470 20 0 BBADLO COC(=O)[C@]1(O)CC[N@@H+](Cc2nccn2C)C1 ZINC000880560820 591089962 /nfs/dbraw/zinc/08/99/62/591089962.db2.gz GQEQUOLPFDRETB-NSHDSACASA-N 1 2 239.275 -0.470 20 0 BBADLO COC(=O)[C@]1(O)CC[N@H+](Cc2nccn2C)C1 ZINC000880560820 591089958 /nfs/dbraw/zinc/08/99/58/591089958.db2.gz GQEQUOLPFDRETB-NSHDSACASA-N 1 2 239.275 -0.470 20 0 BBADLO CCOC(=O)C[N@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880561061 591092361 /nfs/dbraw/zinc/09/23/61/591092361.db2.gz STJXTEMAHXGYGZ-JTQLQIEISA-N 1 2 231.248 -0.841 20 0 BBADLO CCOC(=O)C[N@@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880561061 591092357 /nfs/dbraw/zinc/09/23/57/591092357.db2.gz STJXTEMAHXGYGZ-JTQLQIEISA-N 1 2 231.248 -0.841 20 0 BBADLO COC(=O)[C@]1(O)CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000880561873 591092399 /nfs/dbraw/zinc/09/23/99/591092399.db2.gz IWTWMPGDEGIDGV-JTQLQIEISA-N 1 2 225.248 -0.481 20 0 BBADLO COC(=O)[C@]1(O)CC[N@H+](Cc2ncc[nH]2)C1 ZINC000880561873 591092395 /nfs/dbraw/zinc/09/23/95/591092395.db2.gz IWTWMPGDEGIDGV-JTQLQIEISA-N 1 2 225.248 -0.481 20 0 BBADLO COC(=O)[C@]1(O)CCN(Cc2[nH]cc[nH+]2)C1 ZINC000880561873 591092389 /nfs/dbraw/zinc/09/23/89/591092389.db2.gz IWTWMPGDEGIDGV-JTQLQIEISA-N 1 2 225.248 -0.481 20 0 BBADLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000880561874 591092964 /nfs/dbraw/zinc/09/29/64/591092964.db2.gz IWTWMPGDEGIDGV-SNVBAGLBSA-N 1 2 225.248 -0.481 20 0 BBADLO COC(=O)[C@@]1(O)CC[N@H+](Cc2ncc[nH]2)C1 ZINC000880561874 591092963 /nfs/dbraw/zinc/09/29/63/591092963.db2.gz IWTWMPGDEGIDGV-SNVBAGLBSA-N 1 2 225.248 -0.481 20 0 BBADLO COC(=O)[C@@]1(O)CCN(Cc2[nH]cc[nH+]2)C1 ZINC000880561874 591092956 /nfs/dbraw/zinc/09/29/56/591092956.db2.gz IWTWMPGDEGIDGV-SNVBAGLBSA-N 1 2 225.248 -0.481 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880562178 591093196 /nfs/dbraw/zinc/09/31/96/591093196.db2.gz VHCFUYDQQGMPCW-GZMMTYOYSA-N 1 2 245.275 -0.452 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880562178 591093194 /nfs/dbraw/zinc/09/31/94/591093194.db2.gz VHCFUYDQQGMPCW-GZMMTYOYSA-N 1 2 245.275 -0.452 20 0 BBADLO CCOC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880562179 591095033 /nfs/dbraw/zinc/09/50/33/591095033.db2.gz VHCFUYDQQGMPCW-KCJUWKMLSA-N 1 2 245.275 -0.452 20 0 BBADLO CCOC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880562179 591095030 /nfs/dbraw/zinc/09/50/30/591095030.db2.gz VHCFUYDQQGMPCW-KCJUWKMLSA-N 1 2 245.275 -0.452 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880562180 591094795 /nfs/dbraw/zinc/09/47/95/591094795.db2.gz VHCFUYDQQGMPCW-KWQFWETISA-N 1 2 245.275 -0.452 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880562180 591094790 /nfs/dbraw/zinc/09/47/90/591094790.db2.gz VHCFUYDQQGMPCW-KWQFWETISA-N 1 2 245.275 -0.452 20 0 BBADLO CCOC(=O)[C@@H](C)[N@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880562181 591093473 /nfs/dbraw/zinc/09/34/73/591093473.db2.gz VHCFUYDQQGMPCW-LDYMZIIASA-N 1 2 245.275 -0.452 20 0 BBADLO CCOC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880562181 591093471 /nfs/dbraw/zinc/09/34/71/591093471.db2.gz VHCFUYDQQGMPCW-LDYMZIIASA-N 1 2 245.275 -0.452 20 0 BBADLO COC(=O)[C@]1(O)CC[N@@H+](Cc2ccon2)C1 ZINC000880562676 591093766 /nfs/dbraw/zinc/09/37/66/591093766.db2.gz QPDPSFKPORQFQA-JTQLQIEISA-N 1 2 226.232 -0.216 20 0 BBADLO COC(=O)[C@]1(O)CC[N@H+](Cc2ccon2)C1 ZINC000880562676 591093761 /nfs/dbraw/zinc/09/37/61/591093761.db2.gz QPDPSFKPORQFQA-JTQLQIEISA-N 1 2 226.232 -0.216 20 0 BBADLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2ccon2)C1 ZINC000880562677 591093649 /nfs/dbraw/zinc/09/36/49/591093649.db2.gz QPDPSFKPORQFQA-SNVBAGLBSA-N 1 2 226.232 -0.216 20 0 BBADLO COC(=O)[C@@]1(O)CC[N@H+](Cc2ccon2)C1 ZINC000880562677 591093647 /nfs/dbraw/zinc/09/36/47/591093647.db2.gz QPDPSFKPORQFQA-SNVBAGLBSA-N 1 2 226.232 -0.216 20 0 BBADLO COC(=O)[C@]1(O)CC[N@@H+](Cc2nonc2C)C1 ZINC000880564112 591094067 /nfs/dbraw/zinc/09/40/67/591094067.db2.gz CPNHJNJTDWOAQS-JTQLQIEISA-N 1 2 241.247 -0.512 20 0 BBADLO COC(=O)[C@]1(O)CC[N@H+](Cc2nonc2C)C1 ZINC000880564112 591094063 /nfs/dbraw/zinc/09/40/63/591094063.db2.gz CPNHJNJTDWOAQS-JTQLQIEISA-N 1 2 241.247 -0.512 20 0 BBADLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2nonc2C)C1 ZINC000880564113 591093816 /nfs/dbraw/zinc/09/38/16/591093816.db2.gz CPNHJNJTDWOAQS-SNVBAGLBSA-N 1 2 241.247 -0.512 20 0 BBADLO COC(=O)[C@@]1(O)CC[N@H+](Cc2nonc2C)C1 ZINC000880564113 591093811 /nfs/dbraw/zinc/09/38/11/591093811.db2.gz CPNHJNJTDWOAQS-SNVBAGLBSA-N 1 2 241.247 -0.512 20 0 BBADLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2cn(C)cn2)C1 ZINC000880564589 591094692 /nfs/dbraw/zinc/09/46/92/591094692.db2.gz BUBBKPKESUITFU-LLVKDONJSA-N 1 2 239.275 -0.470 20 0 BBADLO COC(=O)[C@@]1(O)CC[N@H+](Cc2cn(C)cn2)C1 ZINC000880564589 591094688 /nfs/dbraw/zinc/09/46/88/591094688.db2.gz BUBBKPKESUITFU-LLVKDONJSA-N 1 2 239.275 -0.470 20 0 BBADLO COC(=O)[C@]1(O)CC[N@@H+](Cc2cn(C)cn2)C1 ZINC000880564590 591093163 /nfs/dbraw/zinc/09/31/63/591093163.db2.gz BUBBKPKESUITFU-NSHDSACASA-N 1 2 239.275 -0.470 20 0 BBADLO COC(=O)[C@]1(O)CC[N@H+](Cc2cn(C)cn2)C1 ZINC000880564590 591093162 /nfs/dbraw/zinc/09/31/62/591093162.db2.gz BUBBKPKESUITFU-NSHDSACASA-N 1 2 239.275 -0.470 20 0 BBADLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2cnns2)C1 ZINC000880565215 591095056 /nfs/dbraw/zinc/09/50/56/591095056.db2.gz JEZHIIKVEUJNOA-SECBINFHSA-N 1 2 243.288 -0.352 20 0 BBADLO COC(=O)[C@@]1(O)CC[N@H+](Cc2cnns2)C1 ZINC000880565215 591095053 /nfs/dbraw/zinc/09/50/53/591095053.db2.gz JEZHIIKVEUJNOA-SECBINFHSA-N 1 2 243.288 -0.352 20 0 BBADLO COC(=O)[C@]1(O)CC[N@@H+](Cc2cnns2)C1 ZINC000880565216 591094854 /nfs/dbraw/zinc/09/48/54/591094854.db2.gz JEZHIIKVEUJNOA-VIFPVBQESA-N 1 2 243.288 -0.352 20 0 BBADLO COC(=O)[C@]1(O)CC[N@H+](Cc2cnns2)C1 ZINC000880565216 591094852 /nfs/dbraw/zinc/09/48/52/591094852.db2.gz JEZHIIKVEUJNOA-VIFPVBQESA-N 1 2 243.288 -0.352 20 0 BBADLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2cnon2)C1 ZINC000880565289 591093861 /nfs/dbraw/zinc/09/38/61/591093861.db2.gz LDZVCKUOCUPZET-SECBINFHSA-N 1 2 227.220 -0.821 20 0 BBADLO COC(=O)[C@@]1(O)CC[N@H+](Cc2cnon2)C1 ZINC000880565289 591093856 /nfs/dbraw/zinc/09/38/56/591093856.db2.gz LDZVCKUOCUPZET-SECBINFHSA-N 1 2 227.220 -0.821 20 0 BBADLO COC(=O)[C@]1(O)CC[N@@H+](Cc2cnon2)C1 ZINC000880565290 591093613 /nfs/dbraw/zinc/09/36/13/591093613.db2.gz LDZVCKUOCUPZET-VIFPVBQESA-N 1 2 227.220 -0.821 20 0 BBADLO COC(=O)[C@]1(O)CC[N@H+](Cc2cnon2)C1 ZINC000880565290 591093609 /nfs/dbraw/zinc/09/36/09/591093609.db2.gz LDZVCKUOCUPZET-VIFPVBQESA-N 1 2 227.220 -0.821 20 0 BBADLO COC(=O)[C@]1(O)CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000880565308 591093664 /nfs/dbraw/zinc/09/36/64/591093664.db2.gz LSSIYNMTTDQZFQ-JTQLQIEISA-N 1 2 225.248 -0.481 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/nfs/dbraw/zinc/09/66/68/591096668.db2.gz XMVLOMJYLAPAFC-SNVBAGLBSA-N 1 2 225.248 -0.481 20 0 BBADLO COC(=O)[C@@]1(O)CC[N@H+](Cc2c[nH]cn2)C1 ZINC000880567230 591096665 /nfs/dbraw/zinc/09/66/65/591096665.db2.gz XMVLOMJYLAPAFC-SNVBAGLBSA-N 1 2 225.248 -0.481 20 0 BBADLO COC(=O)[C@@]1(O)CC[N@@H+](CC(C)=O)C1 ZINC000880568329 591098810 /nfs/dbraw/zinc/09/88/10/591098810.db2.gz WXPRZIRMGLGKMK-SECBINFHSA-N 1 2 201.222 -0.815 20 0 BBADLO COC(=O)[C@@]1(O)CC[N@H+](CC(C)=O)C1 ZINC000880568329 591098809 /nfs/dbraw/zinc/09/88/09/591098809.db2.gz WXPRZIRMGLGKMK-SECBINFHSA-N 1 2 201.222 -0.815 20 0 BBADLO COC(=O)[C@]1(O)CC[N@@H+](CC(C)=O)C1 ZINC000880568330 591098409 /nfs/dbraw/zinc/09/84/09/591098409.db2.gz WXPRZIRMGLGKMK-VIFPVBQESA-N 1 2 201.222 -0.815 20 0 BBADLO COC(=O)[C@]1(O)CC[N@H+](CC(C)=O)C1 ZINC000880568330 591098403 /nfs/dbraw/zinc/09/84/03/591098403.db2.gz WXPRZIRMGLGKMK-VIFPVBQESA-N 1 2 201.222 -0.815 20 0 BBADLO CC(C)C[C@@H](C(N)=O)[N@@H+](C)CC(=O)N(C)C ZINC000880587078 591102165 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591101426 /nfs/dbraw/zinc/10/14/26/591101426.db2.gz GAIBMEFWAIJGNF-QMMMGPOBSA-N 1 2 215.297 -0.436 20 0 BBADLO CNC(=O)C[N@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000880587501 591101423 /nfs/dbraw/zinc/10/14/23/591101423.db2.gz GAIBMEFWAIJGNF-QMMMGPOBSA-N 1 2 215.297 -0.436 20 0 BBADLO CON(C)C(=O)C[N@@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000880590177 591104033 /nfs/dbraw/zinc/10/40/33/591104033.db2.gz LROBCDJUMQTQNK-VIFPVBQESA-N 1 2 245.323 -0.162 20 0 BBADLO CON(C)C(=O)C[N@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000880590177 591104029 /nfs/dbraw/zinc/10/40/29/591104029.db2.gz LROBCDJUMQTQNK-VIFPVBQESA-N 1 2 245.323 -0.162 20 0 BBADLO CN(C)C(=O)C[N@H+]1CCc2ncncc2C1 ZINC000880593584 591105018 /nfs/dbraw/zinc/10/50/18/591105018.db2.gz FEENKIHRLQMANO-UHFFFAOYSA-N 1 2 220.276 -0.077 20 0 BBADLO CN(C)C(=O)C[N@@H+]1CCc2ncncc2C1 ZINC000880593584 591105016 /nfs/dbraw/zinc/10/50/16/591105016.db2.gz FEENKIHRLQMANO-UHFFFAOYSA-N 1 2 220.276 -0.077 20 0 BBADLO OCCOCC[N@H+]1CCc2ncncc2C1 ZINC000880595354 591104893 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/nfs/dbraw/zinc/11/57/49/591115749.db2.gz PHZDXGRLOSAUSX-SNVBAGLBSA-N 1 2 245.323 -0.684 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCN(C)OC ZINC000880644696 591115747 /nfs/dbraw/zinc/11/57/47/591115747.db2.gz PHZDXGRLOSAUSX-SNVBAGLBSA-N 1 2 245.323 -0.684 20 0 BBADLO CON(C)CCNC(=O)Cc1c[nH+]cn1C ZINC000880645136 591115905 /nfs/dbraw/zinc/11/59/05/591115905.db2.gz FCXMWHQVXPKAOO-UHFFFAOYSA-N 1 2 226.280 -0.428 20 0 BBADLO CON(C)CCNC(=O)CCc1c[nH+]cn1C ZINC000880645139 591116052 /nfs/dbraw/zinc/11/60/52/591116052.db2.gz FFPAIEKJDALCCS-UHFFFAOYSA-N 1 2 240.307 -0.038 20 0 BBADLO CON(C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000880645884 591116976 /nfs/dbraw/zinc/11/69/76/591116976.db2.gz ZPWWSDNUDVCSJO-UHFFFAOYSA-N 1 2 226.280 -0.048 20 0 BBADLO CON(C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000880645884 591116974 /nfs/dbraw/zinc/11/69/74/591116974.db2.gz ZPWWSDNUDVCSJO-UHFFFAOYSA-N 1 2 226.280 -0.048 20 0 BBADLO CON(C)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000880645927 591116536 /nfs/dbraw/zinc/11/65/36/591116536.db2.gz JQUGFNKARFTOBE-UHFFFAOYSA-N 1 2 226.280 -0.048 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)COC1CC1 ZINC000880851126 591146518 /nfs/dbraw/zinc/14/65/18/591146518.db2.gz MXURGFNYBHBDOU-SECBINFHSA-N 1 2 228.292 -0.388 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)COC1CC1 ZINC000880851126 591146514 /nfs/dbraw/zinc/14/65/14/591146514.db2.gz MXURGFNYBHBDOU-SECBINFHSA-N 1 2 228.292 -0.388 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)COC1CC1 ZINC000880851127 591146789 /nfs/dbraw/zinc/14/67/89/591146789.db2.gz MXURGFNYBHBDOU-VIFPVBQESA-N 1 2 228.292 -0.388 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)COC1CC1 ZINC000880851127 591146785 /nfs/dbraw/zinc/14/67/85/591146785.db2.gz MXURGFNYBHBDOU-VIFPVBQESA-N 1 2 228.292 -0.388 20 0 BBADLO Cn1c[nH+]c(CCNC(=O)Nc2cn(C)nn2)c1 ZINC000881211810 591172995 /nfs/dbraw/zinc/17/29/95/591172995.db2.gz ASFZEWHAADEXSD-UHFFFAOYSA-N 1 2 249.278 -0.087 20 0 BBADLO CON(C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000881758153 591269209 /nfs/dbraw/zinc/26/92/09/591269209.db2.gz IJPTVSDOWUJFGX-UHFFFAOYSA-N 1 2 219.266 -0.294 20 0 BBADLO Cc1[nH+]cnc(NCCS(N)(=O)=O)c1C ZINC000881814630 591272770 /nfs/dbraw/zinc/27/27/70/591272770.db2.gz YSKNNCWJNYHHNR-UHFFFAOYSA-N 1 2 230.293 -0.206 20 0 BBADLO Cc1cncnc1N1CCC[N@@H+](CC(N)=O)CC1 ZINC000881832781 591273743 /nfs/dbraw/zinc/27/37/43/591273743.db2.gz IZWPYHAFNMCEMB-UHFFFAOYSA-N 1 2 249.318 -0.218 20 0 BBADLO Cc1cncnc1N1CCC[N@H+](CC(N)=O)CC1 ZINC000881832781 591273742 /nfs/dbraw/zinc/27/37/42/591273742.db2.gz IZWPYHAFNMCEMB-UHFFFAOYSA-N 1 2 249.318 -0.218 20 0 BBADLO C[NH+](C)CC(=O)NCC[C@H]1CCCS1(=O)=O ZINC000881892311 591276647 /nfs/dbraw/zinc/27/66/47/591276647.db2.gz DFLWDFIYWMBSDD-SECBINFHSA-N 1 2 248.348 -0.369 20 0 BBADLO C[NH+](C)CC(=O)NCC[C@@H]1CCCS1(=O)=O ZINC000881892312 591276675 /nfs/dbraw/zinc/27/66/75/591276675.db2.gz DFLWDFIYWMBSDD-VIFPVBQESA-N 1 2 248.348 -0.369 20 0 BBADLO O=C1CN(c2cc(CO)cc[nH+]2)CCCN1 ZINC000881907510 591277491 /nfs/dbraw/zinc/27/74/91/591277491.db2.gz OWJORAFOQAZKKN-UHFFFAOYSA-N 1 2 221.260 -0.100 20 0 BBADLO CN1CC[N@@H+](C)C[C@H]1CNc1ncc(C=O)cn1 ZINC000881967304 591285108 /nfs/dbraw/zinc/28/51/08/591285108.db2.gz VEWKKZDVUYUUGH-LLVKDONJSA-N 1 2 249.318 -0.053 20 0 BBADLO CN1CC[N@H+](C)C[C@H]1CNc1ncc(C=O)cn1 ZINC000881967304 591285105 /nfs/dbraw/zinc/28/51/05/591285105.db2.gz VEWKKZDVUYUUGH-LLVKDONJSA-N 1 2 249.318 -0.053 20 0 BBADLO CN1CC[N@@H+](C)C[C@@H]1CNc1ncc(C=O)cn1 ZINC000881967305 591284745 /nfs/dbraw/zinc/28/47/45/591284745.db2.gz VEWKKZDVUYUUGH-NSHDSACASA-N 1 2 249.318 -0.053 20 0 BBADLO CN1CC[N@H+](C)C[C@@H]1CNc1ncc(C=O)cn1 ZINC000881967305 591284744 /nfs/dbraw/zinc/28/47/44/591284744.db2.gz VEWKKZDVUYUUGH-NSHDSACASA-N 1 2 249.318 -0.053 20 0 BBADLO COC1CN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000881971392 591284783 /nfs/dbraw/zinc/28/47/83/591284783.db2.gz ZDYRTFRYDHMURR-UHFFFAOYSA-N 1 2 245.304 -0.457 20 0 BBADLO O=S(=O)(CCn1cc[nH+]c1)N1CCCO1 ZINC000882056001 591292499 /nfs/dbraw/zinc/29/24/99/591292499.db2.gz YXXXALXIEIBQFR-UHFFFAOYSA-N 1 2 231.277 -0.150 20 0 BBADLO 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CC[N@H+]1CC[C@H]1CNC(=O)CS(C)(=O)=O ZINC000882485405 591360600 /nfs/dbraw/zinc/36/06/00/591360600.db2.gz RYPGAVMAVSJFFB-QMMMGPOBSA-N 1 2 234.321 -0.759 20 0 BBADLO CC[N@@H+]1CC[C@H]1CNC(=O)CS(C)(=O)=O ZINC000882485405 591360594 /nfs/dbraw/zinc/36/05/94/591360594.db2.gz RYPGAVMAVSJFFB-QMMMGPOBSA-N 1 2 234.321 -0.759 20 0 BBADLO CC[N@H+]1CC[C@H]1CNC(=O)CCc1cnn[nH]1 ZINC000882495028 591374069 /nfs/dbraw/zinc/37/40/69/591374069.db2.gz WAOQGLVKEJTYKJ-JTQLQIEISA-N 1 2 237.307 -0.052 20 0 BBADLO CC[N@@H+]1CC[C@H]1CNC(=O)CCc1cnn[nH]1 ZINC000882495028 591374064 /nfs/dbraw/zinc/37/40/64/591374064.db2.gz WAOQGLVKEJTYKJ-JTQLQIEISA-N 1 2 237.307 -0.052 20 0 BBADLO CC[N@H+]1CC[C@@H]1CNC(=O)CCc1cnn[nH]1 ZINC000882495030 591373931 /nfs/dbraw/zinc/37/39/31/591373931.db2.gz WAOQGLVKEJTYKJ-SNVBAGLBSA-N 1 2 237.307 -0.052 20 0 BBADLO CC[N@@H+]1CC[C@@H]1CNC(=O)CCc1cnn[nH]1 ZINC000882495030 591373928 /nfs/dbraw/zinc/37/39/28/591373928.db2.gz WAOQGLVKEJTYKJ-SNVBAGLBSA-N 1 2 237.307 -0.052 20 0 BBADLO O=Cc1cnc(N2CC([N@H+]3CC[C@@H](O)C3)C2)nc1 ZINC000882528755 591382034 /nfs/dbraw/zinc/38/20/34/591382034.db2.gz DYLYCNQWQMEOAB-LLVKDONJSA-N 1 2 248.286 -0.456 20 0 BBADLO O=Cc1cnc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)nc1 ZINC000882528755 591382029 /nfs/dbraw/zinc/38/20/29/591382029.db2.gz DYLYCNQWQMEOAB-LLVKDONJSA-N 1 2 248.286 -0.456 20 0 BBADLO CC(C)c1nc(N2CC(O)(C(N)=O)C2)cc[nH+]1 ZINC000882656136 591407704 /nfs/dbraw/zinc/40/77/04/591407704.db2.gz IINYUVUFVONLOG-UHFFFAOYSA-N 1 2 236.275 -0.364 20 0 BBADLO C[C@@H](C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC000882666582 591409003 /nfs/dbraw/zinc/40/90/03/591409003.db2.gz NVGHHRAVJHOLCY-CIUDSAMLSA-N 1 2 248.348 -0.372 20 0 BBADLO C[C@H](C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC000882666587 591408928 /nfs/dbraw/zinc/40/89/28/591408928.db2.gz NVGHHRAVJHOLCY-IWSPIJDZSA-N 1 2 248.348 -0.372 20 0 BBADLO C[NH+](C)CC(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000882675354 591408903 /nfs/dbraw/zinc/40/89/03/591408903.db2.gz 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/nfs/dbraw/zinc/41/71/27/591417127.db2.gz LTQZXSYZEIQOGW-VWYCJHECSA-N 1 2 242.319 -0.311 20 0 BBADLO CN(CCS(N)(=O)=O)c1cc[nH+]cc1F ZINC000882718287 591419727 /nfs/dbraw/zinc/41/97/27/591419727.db2.gz ARSJLFSNPRSTJP-UHFFFAOYSA-N 1 2 233.268 -0.055 20 0 BBADLO Cc1[nH+]cnc(N(C)CCS(N)(=O)=O)c1C ZINC000882718319 591419824 /nfs/dbraw/zinc/41/98/24/591419824.db2.gz BPLHFOSUVPDRGK-UHFFFAOYSA-N 1 2 244.320 -0.182 20 0 BBADLO CN(CCS(N)(=O)=O)c1cc(CO)cc[nH+]1 ZINC000882718967 591420624 /nfs/dbraw/zinc/42/06/24/591420624.db2.gz WDHIHTZRBMGJAD-UHFFFAOYSA-N 1 2 245.304 -0.701 20 0 BBADLO Cn1ncnc1C1(O)CN(c2cccc[nH+]2)C1 ZINC000882888247 591464363 /nfs/dbraw/zinc/46/43/63/591464363.db2.gz UOQBBMOJYFTELF-UHFFFAOYSA-N 1 2 231.259 -0.082 20 0 BBADLO CO[C@H](C)C(N)=[NH+]OCCN1CCOC1=O ZINC000882981658 591490883 /nfs/dbraw/zinc/49/08/83/591490883.db2.gz PXPRULAWHDJYQT-SSDOTTSWSA-N 1 2 231.252 -0.028 20 0 BBADLO CO[C@@H](C)C(N)=[NH+]OCCN1CCOC1=O ZINC000882981659 591491454 /nfs/dbraw/zinc/49/14/54/591491454.db2.gz PXPRULAWHDJYQT-ZETCQYMHSA-N 1 2 231.252 -0.028 20 0 BBADLO COC(=O)[C@@]1(O)CCN(c2cc(C)[nH+]cn2)C1 ZINC000883000691 591502952 /nfs/dbraw/zinc/50/29/52/591502952.db2.gz IZFSOUACEILIQV-LLVKDONJSA-N 1 2 237.259 -0.101 20 0 BBADLO COC(=O)[C@]1(O)CCN(c2cc(C)[nH+]cn2)C1 ZINC000883000692 591503028 /nfs/dbraw/zinc/50/30/28/591503028.db2.gz IZFSOUACEILIQV-NSHDSACASA-N 1 2 237.259 -0.101 20 0 BBADLO COC(=O)[C@@]1(O)CCN(c2cc[nH+]c(C)n2)C1 ZINC000883001751 591504583 /nfs/dbraw/zinc/50/45/83/591504583.db2.gz MZVXWROFSYRSIT-LLVKDONJSA-N 1 2 237.259 -0.101 20 0 BBADLO COC(=O)[C@]1(O)CCN(c2cc[nH+]c(C)n2)C1 ZINC000883001752 591504526 /nfs/dbraw/zinc/50/45/26/591504526.db2.gz MZVXWROFSYRSIT-NSHDSACASA-N 1 2 237.259 -0.101 20 0 BBADLO C[C@@H]1CCCCN1C(=O)CO[NH+]=C(N)CO ZINC000883009295 591509269 /nfs/dbraw/zinc/50/92/69/591509269.db2.gz BYBAKUJQZLOPEL-MRVPVSSYSA-N 1 2 229.280 -0.122 20 0 BBADLO C[C@H]1CCCCN1C(=O)CO[NH+]=C(N)CO ZINC000883009296 591509378 /nfs/dbraw/zinc/50/93/78/591509378.db2.gz BYBAKUJQZLOPEL-QMMMGPOBSA-N 1 2 229.280 -0.122 20 0 BBADLO C[C@@H]1C[C@H](C)CN(C(=O)CO[NH+]=C(N)CO)C1 ZINC000883009367 591504182 /nfs/dbraw/zinc/50/41/82/591504182.db2.gz FSSSTRULCFARRK-DTORHVGOSA-N 1 2 243.307 -0.018 20 0 BBADLO C[C@H]1C[C@H](C)CN(C(=O)CO[NH+]=C(N)CO)C1 ZINC000883009368 583685977 /nfs/dbraw/zinc/68/59/77/583685977.db2.gz FSSSTRULCFARRK-IUCAKERBSA-N 1 2 243.307 -0.018 20 0 BBADLO C[C@@H]1C[C@@H](C)CN(C(=O)CO[NH+]=C(N)CO)C1 ZINC000883009369 583686167 /nfs/dbraw/zinc/68/61/67/583686167.db2.gz FSSSTRULCFARRK-RKDXNWHRSA-N 1 2 243.307 -0.018 20 0 BBADLO NC(CO)=[NH+]OCC(=O)NCc1cccs1 ZINC000883009375 591509175 /nfs/dbraw/zinc/50/91/75/591509175.db2.gz FYOORLFSLSJXBZ-UHFFFAOYSA-N 1 2 243.288 -0.145 20 0 BBADLO NC(CO)=[NH+]OCC(=O)NCc1ccccc1 ZINC000883009379 591509454 /nfs/dbraw/zinc/50/94/54/591509454.db2.gz GIEUNNIEOYDTSE-UHFFFAOYSA-N 1 2 237.259 -0.206 20 0 BBADLO CCCCNC(=O)CO[NH+]=C(N)CO ZINC000883009420 591509694 /nfs/dbraw/zinc/50/96/94/591509694.db2.gz HDUUINAONKZRGR-UHFFFAOYSA-N 1 2 203.242 -0.607 20 0 BBADLO NC(CO)=[NH+]OCC(=O)NC1CCCC1 ZINC000883009473 591510074 /nfs/dbraw/zinc/51/00/74/591510074.db2.gz IZOZIFXGKMFGIF-UHFFFAOYSA-N 1 2 215.253 -0.464 20 0 BBADLO CC[C@H](C)NC(=O)CO[NH+]=C(N)CO ZINC000883009560 591509630 /nfs/dbraw/zinc/50/96/30/591509630.db2.gz LNMFHOJVIZBAKV-LURJTMIESA-N 1 2 203.242 -0.608 20 0 BBADLO CC[C@@H](C)NC(=O)CO[NH+]=C(N)CO ZINC000883009561 591509385 /nfs/dbraw/zinc/50/93/85/591509385.db2.gz LNMFHOJVIZBAKV-ZCFIWIBFSA-N 1 2 203.242 -0.608 20 0 BBADLO CC1CCN(C(=O)CO[NH+]=C(N)CO)CC1 ZINC000883009568 591509826 /nfs/dbraw/zinc/50/98/26/591509826.db2.gz LSUGTAWVAMLOGM-UHFFFAOYSA-N 1 2 229.280 -0.264 20 0 BBADLO CC(C)(C)NC(=O)CO[NH+]=C(N)CO ZINC000883009616 591509246 /nfs/dbraw/zinc/50/92/46/591509246.db2.gz NFMRJVZNMIEXTC-UHFFFAOYSA-N 1 2 203.242 -0.608 20 0 BBADLO NC(CO)=[NH+]OCC(=O)N1CCCCC1 ZINC000883009621 591509516 /nfs/dbraw/zinc/50/95/16/591509516.db2.gz NLBSKGVCYBGDAY-UHFFFAOYSA-N 1 2 215.253 -0.510 20 0 BBADLO C[C@@H](O[NH+]=C(N)CO)C(=O)NC1CC1 ZINC000883009673 591509337 /nfs/dbraw/zinc/50/93/37/591509337.db2.gz POGJGZMOKRUUPI-RXMQYKEDSA-N 1 2 201.226 -0.856 20 0 BBADLO C[C@H](O[NH+]=C(N)CO)C(=O)NC1CC1 ZINC000883009674 591509275 /nfs/dbraw/zinc/50/92/75/591509275.db2.gz POGJGZMOKRUUPI-YFKPBYRVSA-N 1 2 201.226 -0.856 20 0 BBADLO CC(C)[C@@H](C)NC(=O)CO[NH+]=C(N)CO ZINC000883009731 591509448 /nfs/dbraw/zinc/50/94/48/591509448.db2.gz RJHYJKRHJBZLHN-SSDOTTSWSA-N 1 2 217.269 -0.362 20 0 BBADLO CC(C)[C@H](C)NC(=O)CO[NH+]=C(N)CO ZINC000883009732 591509184 /nfs/dbraw/zinc/50/91/84/591509184.db2.gz RJHYJKRHJBZLHN-ZETCQYMHSA-N 1 2 217.269 -0.362 20 0 BBADLO NC(CO)=[NH+]OCC(=O)N1CCCCCC1 ZINC000883009745 591510053 /nfs/dbraw/zinc/51/00/53/591510053.db2.gz RWCICNQDQKGFBA-UHFFFAOYSA-N 1 2 229.280 -0.120 20 0 BBADLO CC(C)CNC(=O)CO[NH+]=C(N)CO ZINC000883009759 591510137 /nfs/dbraw/zinc/51/01/37/591510137.db2.gz SJSVRUKHQRUQEK-UHFFFAOYSA-N 1 2 203.242 -0.751 20 0 BBADLO NC(CO)=[NH+]OCC(=O)NC1CCCCC1 ZINC000883009839 591509743 /nfs/dbraw/zinc/50/97/43/591509743.db2.gz VUMWNAGWPNDJCJ-UHFFFAOYSA-N 1 2 229.280 -0.074 20 0 BBADLO CCN(CC)C(=O)CO[NH+]=C(N)CO ZINC000883009912 591511294 /nfs/dbraw/zinc/51/12/94/591511294.db2.gz YDXYLUBBIBVQBE-UHFFFAOYSA-N 1 2 203.242 -0.654 20 0 BBADLO CCCNC(=O)[C@H](C)O[NH+]=C(N)CO ZINC000883009966 591511444 /nfs/dbraw/zinc/51/14/44/591511444.db2.gz AEJJYBRNTZLICB-LURJTMIESA-N 1 2 203.242 -0.608 20 0 BBADLO CCCNC(=O)[C@@H](C)O[NH+]=C(N)CO ZINC000883009967 591511027 /nfs/dbraw/zinc/51/10/27/591511027.db2.gz AEJJYBRNTZLICB-ZCFIWIBFSA-N 1 2 203.242 -0.608 20 0 BBADLO Cn1cccc1C(=O)CO[NH+]=C(N)CO ZINC000883010021 591511567 /nfs/dbraw/zinc/51/15/67/591511567.db2.gz BVJUQPANRJFMLV-UHFFFAOYSA-N 1 2 211.221 -0.301 20 0 BBADLO NC(CO)=[NH+]OCC(=O)NC(C1CC1)C1CC1 ZINC000883010108 591511214 /nfs/dbraw/zinc/51/12/14/591511214.db2.gz FIESGFMKKJSWCQ-UHFFFAOYSA-N 1 2 241.291 -0.218 20 0 BBADLO CCC(C)(C)NC(=O)CO[NH+]=C(N)CO ZINC000883010270 591495095 /nfs/dbraw/zinc/49/50/95/591495095.db2.gz JQRRSOARQOQMOC-UHFFFAOYSA-N 1 2 217.269 -0.218 20 0 BBADLO CCCCCNC(=O)CO[NH+]=C(N)CO ZINC000883010335 591510419 /nfs/dbraw/zinc/51/04/19/591510419.db2.gz LXSFNDYMUZKLFV-UHFFFAOYSA-N 1 2 217.269 -0.216 20 0 BBADLO C[C@H](O[NH+]=C(N)CO)C(=O)NCC(F)(F)F ZINC000883010502 591511776 /nfs/dbraw/zinc/51/17/76/591511776.db2.gz ROOLULAWRUFXCW-BYPYZUCNSA-N 1 2 243.185 -0.456 20 0 BBADLO C[C@@H](O[NH+]=C(N)CO)C(=O)NCC(F)(F)F ZINC000883010503 591505116 /nfs/dbraw/zinc/50/51/16/591505116.db2.gz ROOLULAWRUFXCW-SCSAIBSYSA-N 1 2 243.185 -0.456 20 0 BBADLO CN(C(=O)CO[NH+]=C(N)CO)C1CC1 ZINC000883010546 591505137 /nfs/dbraw/zinc/50/51/37/591505137.db2.gz SXNRLFXKLITPED-UHFFFAOYSA-N 1 2 201.226 -0.902 20 0 BBADLO NC(CO)=[NH+]OCC(=O)NCC1CCC1 ZINC000883011031 591510597 /nfs/dbraw/zinc/51/05/97/591510597.db2.gz IEWKNFBDWVBLSR-UHFFFAOYSA-N 1 2 215.253 -0.607 20 0 BBADLO CC(C)N1CC[C@@H](O[NH+]=C(N)CO)C1=O ZINC000883011042 591510446 /nfs/dbraw/zinc/51/04/46/591510446.db2.gz IPFVTUIMBQDUCE-SSDOTTSWSA-N 1 2 215.253 -0.514 20 0 BBADLO CC(C)N1CC[C@H](O[NH+]=C(N)CO)C1=O ZINC000883011043 591511767 /nfs/dbraw/zinc/51/17/67/591511767.db2.gz IPFVTUIMBQDUCE-ZETCQYMHSA-N 1 2 215.253 -0.514 20 0 BBADLO CN(CC(F)(F)F)C(=O)CO[NH+]=C(N)CO ZINC000883011157 591511472 /nfs/dbraw/zinc/51/14/72/591511472.db2.gz LYZPKLVJFHCNHC-UHFFFAOYSA-N 1 2 243.185 -0.502 20 0 BBADLO CCCCNC(=O)[C@@H](C)O[NH+]=C(N)CO ZINC000883011256 591511090 /nfs/dbraw/zinc/51/10/90/591511090.db2.gz PDRHPRHJIJSOFZ-SSDOTTSWSA-N 1 2 217.269 -0.218 20 0 BBADLO CCCCNC(=O)[C@H](C)O[NH+]=C(N)CO ZINC000883011257 591510819 /nfs/dbraw/zinc/51/08/19/591510819.db2.gz PDRHPRHJIJSOFZ-ZETCQYMHSA-N 1 2 217.269 -0.218 20 0 BBADLO CN(CC1CC1)C(=O)CO[NH+]=C(N)CO ZINC000883011293 591510940 /nfs/dbraw/zinc/51/09/40/591510940.db2.gz QGLVIRXLPUCYBN-UHFFFAOYSA-N 1 2 215.253 -0.654 20 0 BBADLO CC(C)N1CCC[C@@H](O[NH+]=C(N)CO)C1=O ZINC000883011339 591510950 /nfs/dbraw/zinc/51/09/50/591510950.db2.gz RGVBJNPLIWTZFS-MRVPVSSYSA-N 1 2 229.280 -0.123 20 0 BBADLO CC(C)N1CCC[C@H](O[NH+]=C(N)CO)C1=O ZINC000883011340 591510377 /nfs/dbraw/zinc/51/03/77/591510377.db2.gz RGVBJNPLIWTZFS-QMMMGPOBSA-N 1 2 229.280 -0.123 20 0 BBADLO CC[C@H](C)NC(=O)[C@H](C)O[NH+]=C(N)CO ZINC000883011343 591511234 /nfs/dbraw/zinc/51/12/34/591511234.db2.gz RHCNHSMBDCFXEG-BQBZGAKWSA-N 1 2 217.269 -0.220 20 0 BBADLO CC[C@H](C)NC(=O)[C@@H](C)O[NH+]=C(N)CO ZINC000883011344 591510898 /nfs/dbraw/zinc/51/08/98/591510898.db2.gz RHCNHSMBDCFXEG-NKWVEPMBSA-N 1 2 217.269 -0.220 20 0 BBADLO CC[C@@H](C)NC(=O)[C@@H](C)O[NH+]=C(N)CO ZINC000883011345 591511760 /nfs/dbraw/zinc/51/17/60/591511760.db2.gz RHCNHSMBDCFXEG-RNFRBKRXSA-N 1 2 217.269 -0.220 20 0 BBADLO CC[C@@H](C)NC(=O)[C@H](C)O[NH+]=C(N)CO ZINC000883011346 591511781 /nfs/dbraw/zinc/51/17/81/591511781.db2.gz RHCNHSMBDCFXEG-RQJHMYQMSA-N 1 2 217.269 -0.220 20 0 BBADLO CCN(CC)C(=O)[C@@H](C)O[NH+]=C(N)CO ZINC000883011389 591510350 /nfs/dbraw/zinc/51/03/50/591510350.db2.gz TUMIIPSIOJQBMF-SSDOTTSWSA-N 1 2 217.269 -0.266 20 0 BBADLO CCN(CC)C(=O)[C@H](C)O[NH+]=C(N)CO ZINC000883011390 591511019 /nfs/dbraw/zinc/51/10/19/591511019.db2.gz TUMIIPSIOJQBMF-ZETCQYMHSA-N 1 2 217.269 -0.266 20 0 BBADLO CN(Cc1ccco1)C(=O)CO[NH+]=C(N)CO ZINC000883011555 591510568 /nfs/dbraw/zinc/51/05/68/591510568.db2.gz ZPUGXDICYYQXBZ-UHFFFAOYSA-N 1 2 241.247 -0.271 20 0 BBADLO NC(CO)=[NH+]OCCOC[C@H]1CCCO1 ZINC000883011642 591510545 /nfs/dbraw/zinc/51/05/45/591510545.db2.gz DCPPOEKIFDVGCO-MRVPVSSYSA-N 1 2 218.253 -0.327 20 0 BBADLO NC(CO)=[NH+]OCCOC[C@@H]1CCCO1 ZINC000883011643 591495551 /nfs/dbraw/zinc/49/55/51/591495551.db2.gz DCPPOEKIFDVGCO-QMMMGPOBSA-N 1 2 218.253 -0.327 20 0 BBADLO CC(C)S(=O)(=O)CCCO[NH+]=C(N)CO ZINC000883011708 591510508 /nfs/dbraw/zinc/51/05/08/591510508.db2.gz GUEZZZHKCVIWER-UHFFFAOYSA-N 1 2 238.309 -0.310 20 0 BBADLO NC(CO)=[NH+]OCC(=O)NCC1CC1 ZINC000883011808 591511052 /nfs/dbraw/zinc/51/10/52/591511052.db2.gz JRDLBCCBJGXUCR-UHFFFAOYSA-N 1 2 201.226 -0.997 20 0 BBADLO CN1CCC[C@H](O[NH+]=C(N)CO)C1=O ZINC000883011872 591512637 /nfs/dbraw/zinc/51/26/37/591512637.db2.gz LVDOZEXLVJPTLL-LURJTMIESA-N 1 2 201.226 -0.902 20 0 BBADLO CN1CCC[C@@H](O[NH+]=C(N)CO)C1=O ZINC000883011873 591512064 /nfs/dbraw/zinc/51/20/64/591512064.db2.gz LVDOZEXLVJPTLL-ZCFIWIBFSA-N 1 2 201.226 -0.902 20 0 BBADLO CC(C)OC[C@@H](O)CO[NH+]=C(N)CO ZINC000883011979 591513369 /nfs/dbraw/zinc/51/33/69/591513369.db2.gz PAKWXJAJBAGBFA-SSDOTTSWSA-N 1 2 206.242 -0.737 20 0 BBADLO CC(C)OC[C@H](O)CO[NH+]=C(N)CO ZINC000883011980 591513112 /nfs/dbraw/zinc/51/31/12/591513112.db2.gz PAKWXJAJBAGBFA-ZETCQYMHSA-N 1 2 206.242 -0.737 20 0 BBADLO CCOC(CO[NH+]=C(N)CO)OCC ZINC000883012245 591512273 /nfs/dbraw/zinc/51/22/73/591512273.db2.gz YPRCJNJJAIFYIT-UHFFFAOYSA-N 1 2 206.242 -0.124 20 0 BBADLO COC(=O)C1(CO[NH+]=C(N)CO)CC1 ZINC000883012299 591512281 /nfs/dbraw/zinc/51/22/81/591512281.db2.gz BBMHRNYXUNWERK-UHFFFAOYSA-N 1 2 202.210 -0.570 20 0 BBADLO CC(C)N(C)C(=O)[C@@H](C)O[NH+]=C(N)CO ZINC000883012331 591512876 /nfs/dbraw/zinc/51/28/76/591512876.db2.gz BTAKHIYGYGIOJW-SSDOTTSWSA-N 1 2 217.269 -0.268 20 0 BBADLO CC(C)N(C)C(=O)[C@H](C)O[NH+]=C(N)CO ZINC000883012332 591512012 /nfs/dbraw/zinc/51/20/12/591512012.db2.gz BTAKHIYGYGIOJW-ZETCQYMHSA-N 1 2 217.269 -0.268 20 0 BBADLO CC(C)(C)N1CC[C@@H](O[NH+]=C(N)CO)C1=O ZINC000883012351 591513078 /nfs/dbraw/zinc/51/30/78/591513078.db2.gz CFTFHHLRTAGXAC-SSDOTTSWSA-N 1 2 229.280 -0.123 20 0 BBADLO CC(C)(C)N1CC[C@H](O[NH+]=C(N)CO)C1=O ZINC000883012352 591512584 /nfs/dbraw/zinc/51/25/84/591512584.db2.gz CFTFHHLRTAGXAC-ZETCQYMHSA-N 1 2 229.280 -0.123 20 0 BBADLO CC(C)[C@@H](O[NH+]=C(N)CO)C(=O)N(C)C ZINC000883012789 591512294 /nfs/dbraw/zinc/51/22/94/591512294.db2.gz TUZCVBOCIACYLZ-MRVPVSSYSA-N 1 2 217.269 -0.410 20 0 BBADLO CC(C)[C@H](O[NH+]=C(N)CO)C(=O)N(C)C ZINC000883012790 591512229 /nfs/dbraw/zinc/51/22/29/591512229.db2.gz TUZCVBOCIACYLZ-QMMMGPOBSA-N 1 2 217.269 -0.410 20 0 BBADLO CCn1cc(CCO[NH+]=C(N)CO)cn1 ZINC000883012831 591512494 /nfs/dbraw/zinc/51/24/94/591512494.db2.gz VFNCXXCBZNTBDB-UHFFFAOYSA-N 1 2 212.253 -0.064 20 0 BBADLO CCN1CC[C@H](O[NH+]=C(N)CO)C1=O ZINC000883013141 591514976 /nfs/dbraw/zinc/51/49/76/591514976.db2.gz GJZHJLMPJXLVOO-LURJTMIESA-N 1 2 201.226 -0.902 20 0 BBADLO CCN1CC[C@@H](O[NH+]=C(N)CO)C1=O ZINC000883013142 591513814 /nfs/dbraw/zinc/51/38/14/591513814.db2.gz GJZHJLMPJXLVOO-ZCFIWIBFSA-N 1 2 201.226 -0.902 20 0 BBADLO NC(CO)=[NH+]OCCO[C@@H]1CC1(F)F ZINC000883013697 591514450 /nfs/dbraw/zinc/51/44/50/591514450.db2.gz XFKULFQECBRZIH-RXMQYKEDSA-N 1 2 210.180 -0.099 20 0 BBADLO NC(CO)=[NH+]OCCO[C@H]1CC1(F)F ZINC000883013698 591515045 /nfs/dbraw/zinc/51/50/45/591515045.db2.gz XFKULFQECBRZIH-YFKPBYRVSA-N 1 2 210.180 -0.099 20 0 BBADLO COC(=O)CCCCO[NH+]=C(N)CO ZINC000883013707 591514114 /nfs/dbraw/zinc/51/41/14/591514114.db2.gz XJWJJFJESQSPDZ-UHFFFAOYSA-N 1 2 204.226 -0.180 20 0 BBADLO NC(CO)=[NH+]O[C@@H]1CCN(C2CCC2)C1=O ZINC000883013715 591514193 /nfs/dbraw/zinc/51/41/93/591514193.db2.gz XNYLKAVYGZIAGB-MRVPVSSYSA-N 1 2 227.264 -0.369 20 0 BBADLO NC(CO)=[NH+]O[C@H]1CCN(C2CCC2)C1=O ZINC000883013716 591513964 /nfs/dbraw/zinc/51/39/64/591513964.db2.gz XNYLKAVYGZIAGB-QMMMGPOBSA-N 1 2 227.264 -0.369 20 0 BBADLO CC(C)(C)CNC(=O)CO[NH+]=C(N)CO ZINC000883013721 591514197 /nfs/dbraw/zinc/51/41/97/591514197.db2.gz XQOANDZQZXMWMI-UHFFFAOYSA-N 1 2 217.269 -0.361 20 0 BBADLO O=C(NCCn1cc[nH+]c1)N1CC=C[C@H]1CO ZINC000883067919 591533528 /nfs/dbraw/zinc/53/35/28/591533528.db2.gz ALULKMMQVFFWMD-JTQLQIEISA-N 1 2 236.275 -0.175 20 0 BBADLO O=C(NCCn1cc[nH+]c1)N1CC=C[C@@H]1CO ZINC000883067920 591533683 /nfs/dbraw/zinc/53/36/83/591533683.db2.gz ALULKMMQVFFWMD-SNVBAGLBSA-N 1 2 236.275 -0.175 20 0 BBADLO CNS(=O)(=O)CC[NH2+]Cc1cc(C)on1 ZINC000883098834 591539317 /nfs/dbraw/zinc/53/93/17/591539317.db2.gz BANJYAXYEQJECX-UHFFFAOYSA-N 1 2 233.293 -0.378 20 0 BBADLO CCn1ncc(C[NH2+][C@H](CO)COC)n1 ZINC000883107566 591540875 /nfs/dbraw/zinc/54/08/75/591540875.db2.gz CIKKOCPUXDSKFC-SECBINFHSA-N 1 2 214.269 -0.605 20 0 BBADLO CCn1ncc(C[NH2+][C@@H](CO)COC)n1 ZINC000883107567 591540497 /nfs/dbraw/zinc/54/04/97/591540497.db2.gz CIKKOCPUXDSKFC-VIFPVBQESA-N 1 2 214.269 -0.605 20 0 BBADLO CCn1nc(C)c(C[NH2+][C@H](CO)COC)n1 ZINC000883107578 591540550 /nfs/dbraw/zinc/54/05/50/591540550.db2.gz CSBSFUDQWKLSBQ-SECBINFHSA-N 1 2 228.296 -0.297 20 0 BBADLO CCn1nc(C)c(C[NH2+][C@@H](CO)COC)n1 ZINC000883107579 591540544 /nfs/dbraw/zinc/54/05/44/591540544.db2.gz CSBSFUDQWKLSBQ-VIFPVBQESA-N 1 2 228.296 -0.297 20 0 BBADLO CN(CC[NH2+]Cc1cocn1)CCOCCO ZINC000883348867 591617160 /nfs/dbraw/zinc/61/71/60/591617160.db2.gz GSQJWPWMNHJYGG-UHFFFAOYSA-N 1 2 243.307 -0.295 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)N1C[C@@H]2C[C@]2(O)C1 ZINC000883701307 591723592 /nfs/dbraw/zinc/72/35/92/591723592.db2.gz JSSLJSXKVNJAJU-KWQFWETISA-N 1 2 236.275 -0.304 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)N1C[C@H]2C[C@@]2(O)C1 ZINC000883701308 591723326 /nfs/dbraw/zinc/72/33/26/591723326.db2.gz JSSLJSXKVNJAJU-LDYMZIIASA-N 1 2 236.275 -0.304 20 0 BBADLO CC(C)Cn1cc(C[NH+](CCO)CCO)nn1 ZINC000883999901 591789664 /nfs/dbraw/zinc/78/96/64/591789664.db2.gz BCGPGLDJWLUBMJ-UHFFFAOYSA-N 1 2 242.323 -0.279 20 0 BBADLO OCC[NH+](CCO)Cc1cn(CC2CC2)nn1 ZINC000884000193 591789835 /nfs/dbraw/zinc/78/98/35/591789835.db2.gz MFBOMXWLVWUZDV-UHFFFAOYSA-N 1 2 240.307 -0.525 20 0 BBADLO CCCCn1cc(C[NH+](CCO)CCO)nn1 ZINC000884000549 591790640 /nfs/dbraw/zinc/79/06/40/591790640.db2.gz ZZIHGANEOFXHEB-UHFFFAOYSA-N 1 2 242.323 -0.135 20 0 BBADLO CC[N@@H+](CCO)Cc1cn(CC(=O)OC)nn1 ZINC000884000577 591792087 /nfs/dbraw/zinc/79/20/87/591792087.db2.gz BRHVGGQXMWQLQP-UHFFFAOYSA-N 1 2 242.279 -0.735 20 0 BBADLO CC[N@H+](CCO)Cc1cn(CC(=O)OC)nn1 ZINC000884000577 591792085 /nfs/dbraw/zinc/79/20/85/591792085.db2.gz BRHVGGQXMWQLQP-UHFFFAOYSA-N 1 2 242.279 -0.735 20 0 BBADLO CCn1cc(C[N@@H+](CCO)CCOC)nn1 ZINC000884000688 591792146 /nfs/dbraw/zinc/79/21/46/591792146.db2.gz GVNZCSBEQPWQNC-UHFFFAOYSA-N 1 2 228.296 -0.261 20 0 BBADLO CCn1cc(C[N@H+](CCO)CCOC)nn1 ZINC000884000688 591792144 /nfs/dbraw/zinc/79/21/44/591792144.db2.gz GVNZCSBEQPWQNC-UHFFFAOYSA-N 1 2 228.296 -0.261 20 0 BBADLO CCn1cc(C[N@@H+](C)CCC(=O)NC)nn1 ZINC000884000882 591791824 /nfs/dbraw/zinc/79/18/24/591791824.db2.gz PGZAQAWBUORAJS-UHFFFAOYSA-N 1 2 225.296 -0.134 20 0 BBADLO CCn1cc(C[N@H+](C)CCC(=O)NC)nn1 ZINC000884000882 591791821 /nfs/dbraw/zinc/79/18/21/591791821.db2.gz PGZAQAWBUORAJS-UHFFFAOYSA-N 1 2 225.296 -0.134 20 0 BBADLO COC(=O)Cn1cc(C[N@@H+](C)C[C@@H](C)O)nn1 ZINC000884002557 591791478 /nfs/dbraw/zinc/79/14/78/591791478.db2.gz MQLAYOFYYBSLTI-MRVPVSSYSA-N 1 2 242.279 -0.736 20 0 BBADLO COC(=O)Cn1cc(C[N@H+](C)C[C@@H](C)O)nn1 ZINC000884002557 591791476 /nfs/dbraw/zinc/79/14/76/591791476.db2.gz MQLAYOFYYBSLTI-MRVPVSSYSA-N 1 2 242.279 -0.736 20 0 BBADLO COC(=O)Cn1cc(C[N@@H+](C)C[C@H](C)O)nn1 ZINC000884002558 591791922 /nfs/dbraw/zinc/79/19/22/591791922.db2.gz MQLAYOFYYBSLTI-QMMMGPOBSA-N 1 2 242.279 -0.736 20 0 BBADLO COC(=O)Cn1cc(C[N@H+](C)C[C@H](C)O)nn1 ZINC000884002558 591791919 /nfs/dbraw/zinc/79/19/19/591791919.db2.gz MQLAYOFYYBSLTI-QMMMGPOBSA-N 1 2 242.279 -0.736 20 0 BBADLO CCn1cc(C[N@@H+](CCO)CCCO)nn1 ZINC000884002740 591792381 /nfs/dbraw/zinc/79/23/81/591792381.db2.gz YCEWFPKBCUYABG-UHFFFAOYSA-N 1 2 228.296 -0.525 20 0 BBADLO CCn1cc(C[N@H+](CCO)CCCO)nn1 ZINC000884002740 591792379 /nfs/dbraw/zinc/79/23/79/591792379.db2.gz YCEWFPKBCUYABG-UHFFFAOYSA-N 1 2 228.296 -0.525 20 0 BBADLO COC(=O)N[C@H]1CC[N@@H+](CN2CCC2=O)C1 ZINC000884484028 591951750 /nfs/dbraw/zinc/95/17/50/591951750.db2.gz GBMQVAWSURZRMJ-QMMMGPOBSA-N 1 2 227.264 -0.394 20 0 BBADLO COC(=O)N[C@H]1CC[N@H+](CN2CCC2=O)C1 ZINC000884484028 591951749 /nfs/dbraw/zinc/95/17/49/591951749.db2.gz GBMQVAWSURZRMJ-QMMMGPOBSA-N 1 2 227.264 -0.394 20 0 BBADLO COC(=O)N[C@H]1CC[N@@H+](CN2CCCC2=O)C1 ZINC000884485179 591953360 /nfs/dbraw/zinc/95/33/60/591953360.db2.gz PMJYWNWTSXCHOH-VIFPVBQESA-N 1 2 241.291 -0.003 20 0 BBADLO COC(=O)N[C@H]1CC[N@H+](CN2CCCC2=O)C1 ZINC000884485179 591953357 /nfs/dbraw/zinc/95/33/57/591953357.db2.gz PMJYWNWTSXCHOH-VIFPVBQESA-N 1 2 241.291 -0.003 20 0 BBADLO CCn1cc(C[N@@H+](C)CC(C)(CO)CO)nn1 ZINC000884496184 591957134 /nfs/dbraw/zinc/95/71/34/591957134.db2.gz PBEYVOBIUSGJGI-UHFFFAOYSA-N 1 2 242.323 -0.279 20 0 BBADLO CCn1cc(C[N@H+](C)CC(C)(CO)CO)nn1 ZINC000884496184 591957131 /nfs/dbraw/zinc/95/71/31/591957131.db2.gz PBEYVOBIUSGJGI-UHFFFAOYSA-N 1 2 242.323 -0.279 20 0 BBADLO CCc1nc(N2CC(O)(CO)C2)cc[nH+]1 ZINC000884517072 591963663 /nfs/dbraw/zinc/96/36/63/591963663.db2.gz CBSGOMCISCPZGL-UHFFFAOYSA-N 1 2 209.249 -0.418 20 0 BBADLO CCc1nc(N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc[nH+]1 ZINC000884521861 591964991 /nfs/dbraw/zinc/96/49/91/591964991.db2.gz IVFKYUJNSSOMSM-OCAPTIKFSA-N 1 2 246.270 -0.252 20 0 BBADLO CCc1nc(N2C[C@H](O)[C@@H](CO)C2)cc[nH+]1 ZINC000884526889 591966513 /nfs/dbraw/zinc/96/65/13/591966513.db2.gz FYBZKGVDMQQQNA-BDAKNGLRSA-N 1 2 223.276 -0.172 20 0 BBADLO CCc1nc(N2C[C@@H](O)[C@H](CO)C2)cc[nH+]1 ZINC000884526890 591966423 /nfs/dbraw/zinc/96/64/23/591966423.db2.gz FYBZKGVDMQQQNA-DTWKUNHWSA-N 1 2 223.276 -0.172 20 0 BBADLO CCc1nc(N2C[C@H](O)[C@H](CO)C2)cc[nH+]1 ZINC000884526891 591967048 /nfs/dbraw/zinc/96/70/48/591967048.db2.gz FYBZKGVDMQQQNA-IUCAKERBSA-N 1 2 223.276 -0.172 20 0 BBADLO CCc1nc(N2C[C@H](CO)[C@H](O)C2)cc[nH+]1 ZINC000884526892 591966826 /nfs/dbraw/zinc/96/68/26/591966826.db2.gz FYBZKGVDMQQQNA-RKDXNWHRSA-N 1 2 223.276 -0.172 20 0 BBADLO CCc1nc(N2CC(S(N)(=O)=O)C2)cc[nH+]1 ZINC000884531199 591968679 /nfs/dbraw/zinc/96/86/79/591968679.db2.gz GHVXPLZRMJIAEW-UHFFFAOYSA-N 1 2 242.304 -0.484 20 0 BBADLO CCc1nc(N2CC(O)(C(N)=O)C2)cc[nH+]1 ZINC000884565121 591982419 /nfs/dbraw/zinc/98/24/19/591982419.db2.gz AYGOOYVHAQTVRS-UHFFFAOYSA-N 1 2 222.248 -0.925 20 0 BBADLO CCc1nc(N2CC(O)(C(=O)OC)C2)cc[nH+]1 ZINC000884574783 591985269 /nfs/dbraw/zinc/98/52/69/591985269.db2.gz SXDPTTYUIHLMAA-UHFFFAOYSA-N 1 2 237.259 -0.237 20 0 BBADLO CCc1nc(N2CC[C@@H](O)[C@@H](O)C2)cc[nH+]1 ZINC000884574850 591985145 /nfs/dbraw/zinc/98/51/45/591985145.db2.gz VSRQYOSPXJRIPO-BDAKNGLRSA-N 1 2 223.276 -0.029 20 0 BBADLO CCc1nc(N(C)CCS(N)(=O)=O)cc[nH+]1 ZINC000884579810 591985992 /nfs/dbraw/zinc/98/59/92/591985992.db2.gz JRARCPQMLGOBPS-UHFFFAOYSA-N 1 2 244.320 -0.236 20 0 BBADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000884620948 591994953 /nfs/dbraw/zinc/99/49/53/591994953.db2.gz RFFHQPBWFHQKIS-VJKWBMGZSA-N 1 2 249.274 -0.341 20 0 BBADLO O[C@@H]1C[C@@H](Nc2cc[nH+]cc2F)C[C@@H]1O ZINC000884621322 591995809 /nfs/dbraw/zinc/99/58/09/591995809.db2.gz FFPSZZSYLDLEGT-JDBBZGQPSA-N 1 2 212.224 -0.061 20 0 BBADLO OCc1cc[nH+]c(N[C@@H]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000884622282 591995541 /nfs/dbraw/zinc/99/55/41/591995541.db2.gz JZFOPPKHDJERJY-OWUUHHOZSA-N 1 2 224.260 -0.130 20 0 BBADLO Cn1ncc2c1nc[nH+]c2N[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000884622518 591995587 /nfs/dbraw/zinc/99/55/87/591995587.db2.gz RFFHQPBWFHQKIS-ZFRGLUTLSA-N 1 2 249.274 -0.341 20 0 BBADLO O[C@@H]1C[C@H](Nc2cc[nH+]cc2F)C[C@@H]1O ZINC000884623487 591996459 /nfs/dbraw/zinc/99/64/59/591996459.db2.gz FFPSZZSYLDLEGT-DSIYZXSISA-N 1 2 212.224 -0.061 20 0 BBADLO OCc1cc[nH+]c(N[C@H]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000884623631 591996405 /nfs/dbraw/zinc/99/64/05/591996405.db2.gz JZFOPPKHDJERJY-ILWJIGKKSA-N 1 2 224.260 -0.130 20 0 BBADLO O=C(C[C@H]1CCNC1=O)OCCn1cc[nH+]c1 ZINC000884919772 592029748 /nfs/dbraw/zinc/02/97/48/592029748.db2.gz UMMHZPURKWEINF-SECBINFHSA-N 1 2 237.259 -0.048 20 0 BBADLO O=C(C[C@@H]1CCNC1=O)OCCn1cc[nH+]c1 ZINC000884919774 592029307 /nfs/dbraw/zinc/02/93/07/592029307.db2.gz UMMHZPURKWEINF-VIFPVBQESA-N 1 2 237.259 -0.048 20 0 BBADLO COCCOC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000885007868 592033286 /nfs/dbraw/zinc/03/32/86/592033286.db2.gz LVTJHMHXWJSHIT-JTQLQIEISA-N 1 2 245.323 -0.395 20 0 BBADLO COCCOC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000885007868 592033283 /nfs/dbraw/zinc/03/32/83/592033283.db2.gz LVTJHMHXWJSHIT-JTQLQIEISA-N 1 2 245.323 -0.395 20 0 BBADLO COCCOC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000885007870 592033670 /nfs/dbraw/zinc/03/36/70/592033670.db2.gz LVTJHMHXWJSHIT-SNVBAGLBSA-N 1 2 245.323 -0.395 20 0 BBADLO COCCOC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000885007870 592033667 /nfs/dbraw/zinc/03/36/67/592033667.db2.gz LVTJHMHXWJSHIT-SNVBAGLBSA-N 1 2 245.323 -0.395 20 0 BBADLO C[C@H]1C(=O)CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000885043848 592037823 /nfs/dbraw/zinc/03/78/23/592037823.db2.gz KNJBSRGXMFMXLC-GXSJLCMTSA-N 1 2 240.303 -0.103 20 0 BBADLO C[C@H]1C(=O)CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000885043848 592037821 /nfs/dbraw/zinc/03/78/21/592037821.db2.gz KNJBSRGXMFMXLC-GXSJLCMTSA-N 1 2 240.303 -0.103 20 0 BBADLO C[C@@H]1C(=O)CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000885043851 592037804 /nfs/dbraw/zinc/03/78/04/592037804.db2.gz KNJBSRGXMFMXLC-KOLCDFICSA-N 1 2 240.303 -0.103 20 0 BBADLO C[C@@H]1C(=O)CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000885043851 592037802 /nfs/dbraw/zinc/03/78/02/592037802.db2.gz KNJBSRGXMFMXLC-KOLCDFICSA-N 1 2 240.303 -0.103 20 0 BBADLO C[C@@H]1C(=O)CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000885043852 592037883 /nfs/dbraw/zinc/03/78/83/592037883.db2.gz KNJBSRGXMFMXLC-MWLCHTKSSA-N 1 2 240.303 -0.103 20 0 BBADLO C[C@@H]1C(=O)CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000885043852 592037880 /nfs/dbraw/zinc/03/78/80/592037880.db2.gz KNJBSRGXMFMXLC-MWLCHTKSSA-N 1 2 240.303 -0.103 20 0 BBADLO C[C@H]1C(=O)CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000885043853 592038249 /nfs/dbraw/zinc/03/82/49/592038249.db2.gz KNJBSRGXMFMXLC-ONGXEEELSA-N 1 2 240.303 -0.103 20 0 BBADLO C[C@H]1C(=O)CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000885043853 592038246 /nfs/dbraw/zinc/03/82/46/592038246.db2.gz KNJBSRGXMFMXLC-ONGXEEELSA-N 1 2 240.303 -0.103 20 0 BBADLO COCCOC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000885070761 592045188 /nfs/dbraw/zinc/04/51/88/592045188.db2.gz SBORYYFZXBCSKQ-JTQLQIEISA-N 1 2 243.307 -0.641 20 0 BBADLO COCCOC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000885070762 592045329 /nfs/dbraw/zinc/04/53/29/592045329.db2.gz SBORYYFZXBCSKQ-SNVBAGLBSA-N 1 2 243.307 -0.641 20 0 BBADLO C[C@H]1CCC(=O)CN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000885088959 592050519 /nfs/dbraw/zinc/05/05/19/592050519.db2.gz OYPBJCLBTSZVEW-GXSJLCMTSA-N 1 2 240.303 -0.103 20 0 BBADLO C[C@H]1CCC(=O)CN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000885088959 592050517 /nfs/dbraw/zinc/05/05/17/592050517.db2.gz OYPBJCLBTSZVEW-GXSJLCMTSA-N 1 2 240.303 -0.103 20 0 BBADLO C[C@@H]1CCC(=O)CN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000885088960 592050286 /nfs/dbraw/zinc/05/02/86/592050286.db2.gz OYPBJCLBTSZVEW-KOLCDFICSA-N 1 2 240.303 -0.103 20 0 BBADLO C[C@@H]1CCC(=O)CN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000885088960 592050284 /nfs/dbraw/zinc/05/02/84/592050284.db2.gz OYPBJCLBTSZVEW-KOLCDFICSA-N 1 2 240.303 -0.103 20 0 BBADLO C[C@@H]1CCC(=O)CN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000885088961 592050737 /nfs/dbraw/zinc/05/07/37/592050737.db2.gz OYPBJCLBTSZVEW-MWLCHTKSSA-N 1 2 240.303 -0.103 20 0 BBADLO C[C@@H]1CCC(=O)CN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000885088961 592050734 /nfs/dbraw/zinc/05/07/34/592050734.db2.gz OYPBJCLBTSZVEW-MWLCHTKSSA-N 1 2 240.303 -0.103 20 0 BBADLO C[C@H]1CCC(=O)CN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000885088962 584966574 /nfs/dbraw/zinc/96/65/74/584966574.db2.gz OYPBJCLBTSZVEW-ONGXEEELSA-N 1 2 240.303 -0.103 20 0 BBADLO C[C@H]1CCC(=O)CN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000885088962 584966573 /nfs/dbraw/zinc/96/65/73/584966573.db2.gz OYPBJCLBTSZVEW-ONGXEEELSA-N 1 2 240.303 -0.103 20 0 BBADLO NC(=O)C12CCC(CC1)N2C(=O)Cn1cc[nH+]c1 ZINC000885271042 592062217 /nfs/dbraw/zinc/06/22/17/592062217.db2.gz RBEBZZFBEFMSCA-UHFFFAOYSA-N 1 2 248.286 -0.108 20 0 BBADLO Cn1nnc(C(=O)OCCn2cc[nH+]c2)n1 ZINC000885320219 592065229 /nfs/dbraw/zinc/06/52/29/592065229.db2.gz HDLIOOFWDZLZRD-UHFFFAOYSA-N 1 2 222.208 -0.736 20 0 BBADLO Cn1nnc(C(=O)OCCCn2cc[nH+]c2)n1 ZINC000885320294 592065408 /nfs/dbraw/zinc/06/54/08/592065408.db2.gz HYGSWUGIIBDWOW-UHFFFAOYSA-N 1 2 236.235 -0.346 20 0 BBADLO COc1cc[nH+]cc1COC(=O)c1nnn(C)n1 ZINC000885322889 592066191 /nfs/dbraw/zinc/06/61/91/592066191.db2.gz KBWRPQGBJQEZTG-UHFFFAOYSA-N 1 2 249.230 -0.029 20 0 BBADLO Cn1c[nH+]cc1CCOC(=O)c1nnn(C)n1 ZINC000885323401 592066031 /nfs/dbraw/zinc/06/60/31/592066031.db2.gz SBVVLXJDOUBEHR-UHFFFAOYSA-N 1 2 236.235 -0.657 20 0 BBADLO COCCOC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000885323997 592066706 /nfs/dbraw/zinc/06/67/06/592066706.db2.gz CABCIHVBTYYGLM-SECBINFHSA-N 1 2 232.280 -0.310 20 0 BBADLO COCCOC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000885323997 592066704 /nfs/dbraw/zinc/06/67/04/592066704.db2.gz CABCIHVBTYYGLM-SECBINFHSA-N 1 2 232.280 -0.310 20 0 BBADLO COCCOC(=O)NC[C@H]1COCC[N@H+]1C ZINC000885323998 592066344 /nfs/dbraw/zinc/06/63/44/592066344.db2.gz CABCIHVBTYYGLM-VIFPVBQESA-N 1 2 232.280 -0.310 20 0 BBADLO COCCOC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000885323998 592066342 /nfs/dbraw/zinc/06/63/42/592066342.db2.gz CABCIHVBTYYGLM-VIFPVBQESA-N 1 2 232.280 -0.310 20 0 BBADLO O=C(Cn1cc[nH+]c1)NCCO[C@H]1CCOC1 ZINC000885717405 592093842 /nfs/dbraw/zinc/09/38/42/592093842.db2.gz HLNLYLXQKVKCOU-JTQLQIEISA-N 1 2 239.275 -0.195 20 0 BBADLO O=C(Cn1cc[nH+]c1)NCCO[C@@H]1CCOC1 ZINC000885717406 592094236 /nfs/dbraw/zinc/09/42/36/592094236.db2.gz HLNLYLXQKVKCOU-SNVBAGLBSA-N 1 2 239.275 -0.195 20 0 BBADLO C[C@@](O)(C[N@H+]1CCNC(=O)C1)C(F)F ZINC000885932884 592109927 /nfs/dbraw/zinc/10/99/27/592109927.db2.gz DCSWXMBJVVYJAA-MRVPVSSYSA-N 1 2 208.208 -0.566 20 0 BBADLO C[C@@](O)(C[N@@H+]1CCNC(=O)C1)C(F)F ZINC000885932884 592109925 /nfs/dbraw/zinc/10/99/25/592109925.db2.gz DCSWXMBJVVYJAA-MRVPVSSYSA-N 1 2 208.208 -0.566 20 0 BBADLO C[C@](O)(C[N@H+]1CCNC(=O)C1)C(F)F ZINC000885932885 592109795 /nfs/dbraw/zinc/10/97/95/592109795.db2.gz DCSWXMBJVVYJAA-QMMMGPOBSA-N 1 2 208.208 -0.566 20 0 BBADLO C[C@](O)(C[N@@H+]1CCNC(=O)C1)C(F)F ZINC000885932885 592109794 /nfs/dbraw/zinc/10/97/94/592109794.db2.gz DCSWXMBJVVYJAA-QMMMGPOBSA-N 1 2 208.208 -0.566 20 0 BBADLO C[C@@](O)(C[N@H+]1CCO[C@@H](C(N)=O)C1)C(F)F ZINC000885972730 592118891 /nfs/dbraw/zinc/11/88/91/592118891.db2.gz JHMUPCCYEBGFGR-HZGVNTEJSA-N 1 2 238.234 -0.811 20 0 BBADLO C[C@@](O)(C[N@@H+]1CCO[C@@H](C(N)=O)C1)C(F)F ZINC000885972730 592118889 /nfs/dbraw/zinc/11/88/89/592118889.db2.gz JHMUPCCYEBGFGR-HZGVNTEJSA-N 1 2 238.234 -0.811 20 0 BBADLO C[C@@](O)(C[N@H+]1CCO[C@H](C(N)=O)C1)C(F)F ZINC000885972731 592119428 /nfs/dbraw/zinc/11/94/28/592119428.db2.gz JHMUPCCYEBGFGR-IMTBSYHQSA-N 1 2 238.234 -0.811 20 0 BBADLO C[C@@](O)(C[N@@H+]1CCO[C@H](C(N)=O)C1)C(F)F ZINC000885972731 592119427 /nfs/dbraw/zinc/11/94/27/592119427.db2.gz JHMUPCCYEBGFGR-IMTBSYHQSA-N 1 2 238.234 -0.811 20 0 BBADLO C[C@](O)(C[N@H+]1CCO[C@@H](C(N)=O)C1)C(F)F ZINC000885972732 592118740 /nfs/dbraw/zinc/11/87/40/592118740.db2.gz JHMUPCCYEBGFGR-MUWHJKNJSA-N 1 2 238.234 -0.811 20 0 BBADLO C[C@](O)(C[N@@H+]1CCO[C@@H](C(N)=O)C1)C(F)F ZINC000885972732 592118739 /nfs/dbraw/zinc/11/87/39/592118739.db2.gz JHMUPCCYEBGFGR-MUWHJKNJSA-N 1 2 238.234 -0.811 20 0 BBADLO C[C@](O)(C[N@H+]1CCO[C@H](C(N)=O)C1)C(F)F ZINC000885972733 592119207 /nfs/dbraw/zinc/11/92/07/592119207.db2.gz JHMUPCCYEBGFGR-RCOVLWMOSA-N 1 2 238.234 -0.811 20 0 BBADLO C[C@](O)(C[N@@H+]1CCO[C@H](C(N)=O)C1)C(F)F ZINC000885972733 592119205 /nfs/dbraw/zinc/11/92/05/592119205.db2.gz JHMUPCCYEBGFGR-RCOVLWMOSA-N 1 2 238.234 -0.811 20 0 BBADLO C[N@@H+](CCS(C)(=O)=O)C[C@@](C)(O)C(F)F ZINC000885983646 592121297 /nfs/dbraw/zinc/12/12/97/592121297.db2.gz LPGYNFNNPLHMSL-MRVPVSSYSA-N 1 2 245.291 -0.021 20 0 BBADLO C[N@H+](CCS(C)(=O)=O)C[C@@](C)(O)C(F)F ZINC000885983646 592121296 /nfs/dbraw/zinc/12/12/96/592121296.db2.gz LPGYNFNNPLHMSL-MRVPVSSYSA-N 1 2 245.291 -0.021 20 0 BBADLO C[N@@H+](CCS(C)(=O)=O)C[C@](C)(O)C(F)F ZINC000885983647 592121373 /nfs/dbraw/zinc/12/13/73/592121373.db2.gz LPGYNFNNPLHMSL-QMMMGPOBSA-N 1 2 245.291 -0.021 20 0 BBADLO C[N@H+](CCS(C)(=O)=O)C[C@](C)(O)C(F)F ZINC000885983647 592121372 /nfs/dbraw/zinc/12/13/72/592121372.db2.gz LPGYNFNNPLHMSL-QMMMGPOBSA-N 1 2 245.291 -0.021 20 0 BBADLO CN1CC[N@@H+](C[C@@](C)(O)C(F)F)CC1=O ZINC000886018556 592131764 /nfs/dbraw/zinc/13/17/64/592131764.db2.gz CETSDZJZJHPWAP-SECBINFHSA-N 1 2 222.235 -0.224 20 0 BBADLO CN1CC[N@H+](C[C@@](C)(O)C(F)F)CC1=O ZINC000886018556 592131761 /nfs/dbraw/zinc/13/17/61/592131761.db2.gz CETSDZJZJHPWAP-SECBINFHSA-N 1 2 222.235 -0.224 20 0 BBADLO CN1CC[N@@H+](C[C@](C)(O)C(F)F)CC1=O ZINC000886018557 592132063 /nfs/dbraw/zinc/13/20/63/592132063.db2.gz CETSDZJZJHPWAP-VIFPVBQESA-N 1 2 222.235 -0.224 20 0 BBADLO CN1CC[N@H+](C[C@](C)(O)C(F)F)CC1=O ZINC000886018557 592132061 /nfs/dbraw/zinc/13/20/61/592132061.db2.gz CETSDZJZJHPWAP-VIFPVBQESA-N 1 2 222.235 -0.224 20 0 BBADLO Cc1cn[nH]c1C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000886166344 592168153 /nfs/dbraw/zinc/16/81/53/592168153.db2.gz GJBLZYRPTKGJLX-GXSJLCMTSA-N 1 2 225.292 -0.107 20 0 BBADLO Cc1cn[nH]c1C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000886166344 592168152 /nfs/dbraw/zinc/16/81/52/592168152.db2.gz GJBLZYRPTKGJLX-GXSJLCMTSA-N 1 2 225.292 -0.107 20 0 BBADLO Cc1cn[nH]c1C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000886166345 592167727 /nfs/dbraw/zinc/16/77/27/592167727.db2.gz GJBLZYRPTKGJLX-KOLCDFICSA-N 1 2 225.292 -0.107 20 0 BBADLO Cc1cn[nH]c1C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000886166345 592167725 /nfs/dbraw/zinc/16/77/25/592167725.db2.gz GJBLZYRPTKGJLX-KOLCDFICSA-N 1 2 225.292 -0.107 20 0 BBADLO Cc1cn[nH]c1C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000886166346 592167666 /nfs/dbraw/zinc/16/76/66/592167666.db2.gz GJBLZYRPTKGJLX-MWLCHTKSSA-N 1 2 225.292 -0.107 20 0 BBADLO Cc1cn[nH]c1C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000886166346 592167664 /nfs/dbraw/zinc/16/76/64/592167664.db2.gz GJBLZYRPTKGJLX-MWLCHTKSSA-N 1 2 225.292 -0.107 20 0 BBADLO Cc1cn[nH]c1C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000886166347 592167619 /nfs/dbraw/zinc/16/76/19/592167619.db2.gz GJBLZYRPTKGJLX-ONGXEEELSA-N 1 2 225.292 -0.107 20 0 BBADLO Cc1cn[nH]c1C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000886166347 592167618 /nfs/dbraw/zinc/16/76/18/592167618.db2.gz GJBLZYRPTKGJLX-ONGXEEELSA-N 1 2 225.292 -0.107 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@@](C)(O)C(F)F)CC(=O)N1 ZINC000886232306 592182031 /nfs/dbraw/zinc/18/20/31/592182031.db2.gz UJRULZFREGOBGE-HZGVNTEJSA-N 1 2 222.235 -0.177 20 0 BBADLO C[C@@H]1C[N@H+](C[C@@](C)(O)C(F)F)CC(=O)N1 ZINC000886232306 592182030 /nfs/dbraw/zinc/18/20/30/592182030.db2.gz UJRULZFREGOBGE-HZGVNTEJSA-N 1 2 222.235 -0.177 20 0 BBADLO C[C@H]1C[N@@H+](C[C@@](C)(O)C(F)F)CC(=O)N1 ZINC000886232307 592182014 /nfs/dbraw/zinc/18/20/14/592182014.db2.gz UJRULZFREGOBGE-IMTBSYHQSA-N 1 2 222.235 -0.177 20 0 BBADLO C[C@H]1C[N@H+](C[C@@](C)(O)C(F)F)CC(=O)N1 ZINC000886232307 592182013 /nfs/dbraw/zinc/18/20/13/592182013.db2.gz UJRULZFREGOBGE-IMTBSYHQSA-N 1 2 222.235 -0.177 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@](C)(O)C(F)F)CC(=O)N1 ZINC000886232308 592182038 /nfs/dbraw/zinc/18/20/38/592182038.db2.gz UJRULZFREGOBGE-MUWHJKNJSA-N 1 2 222.235 -0.177 20 0 BBADLO C[C@@H]1C[N@H+](C[C@](C)(O)C(F)F)CC(=O)N1 ZINC000886232308 592182037 /nfs/dbraw/zinc/18/20/37/592182037.db2.gz UJRULZFREGOBGE-MUWHJKNJSA-N 1 2 222.235 -0.177 20 0 BBADLO C[C@H]1C[N@@H+](C[C@](C)(O)C(F)F)CC(=O)N1 ZINC000886232309 592181865 /nfs/dbraw/zinc/18/18/65/592181865.db2.gz UJRULZFREGOBGE-RCOVLWMOSA-N 1 2 222.235 -0.177 20 0 BBADLO C[C@H]1C[N@H+](C[C@](C)(O)C(F)F)CC(=O)N1 ZINC000886232309 592181863 /nfs/dbraw/zinc/18/18/63/592181863.db2.gz UJRULZFREGOBGE-RCOVLWMOSA-N 1 2 222.235 -0.177 20 0 BBADLO COC(=O)[C@](C)(CO)[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC000886241478 592183645 /nfs/dbraw/zinc/18/36/45/592183645.db2.gz ZVCNVUBTWFJKBZ-ADEWGFFLSA-N 1 2 243.303 -0.073 20 0 BBADLO COC(=O)[C@](C)(CO)[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC000886241479 592183549 /nfs/dbraw/zinc/18/35/49/592183549.db2.gz ZVCNVUBTWFJKBZ-DLOVCJGASA-N 1 2 243.303 -0.073 20 0 BBADLO COC(=O)[C@](C)(CO)[NH2+]C[C@H]1C[C@]12CCOC2 ZINC000886241480 592183426 /nfs/dbraw/zinc/18/34/26/592183426.db2.gz ZVCNVUBTWFJKBZ-USWWRNFRSA-N 1 2 243.303 -0.073 20 0 BBADLO COC(=O)[C@](C)(CO)[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC000886241481 592183444 /nfs/dbraw/zinc/18/34/44/592183444.db2.gz ZVCNVUBTWFJKBZ-ZMLRMANQSA-N 1 2 243.303 -0.073 20 0 BBADLO Cc1[nH]ncc1C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886242959 592181972 /nfs/dbraw/zinc/18/19/72/592181972.db2.gz KFQOBUMXFIFSKA-OWUUHHOZSA-N 1 2 211.265 -0.308 20 0 BBADLO Cc1c[nH]nc1C[N@@H+](CCO)CCOCCO ZINC000886243271 592183423 /nfs/dbraw/zinc/18/34/23/592183423.db2.gz UDJQVSNIAGJIAU-UHFFFAOYSA-N 1 2 243.307 -0.479 20 0 BBADLO Cc1c[nH]nc1C[N@H+](CCO)CCOCCO ZINC000886243271 592183422 /nfs/dbraw/zinc/18/34/22/592183422.db2.gz UDJQVSNIAGJIAU-UHFFFAOYSA-N 1 2 243.307 -0.479 20 0 BBADLO Cc1cn[nH]c1C[N@@H+](CCO)CCOCCO ZINC000886243271 592183421 /nfs/dbraw/zinc/18/34/21/592183421.db2.gz UDJQVSNIAGJIAU-UHFFFAOYSA-N 1 2 243.307 -0.479 20 0 BBADLO Cc1cn[nH]c1C[N@H+](CCO)CCOCCO ZINC000886243271 592183420 /nfs/dbraw/zinc/18/34/20/592183420.db2.gz UDJQVSNIAGJIAU-UHFFFAOYSA-N 1 2 243.307 -0.479 20 0 BBADLO Cc1[nH]c(C(=O)NC[C@H](O)c2ccnn2C)c[nH+]1 ZINC000886255025 592188415 /nfs/dbraw/zinc/18/84/15/592188415.db2.gz PBBXZIPWACGFJQ-JTQLQIEISA-N 1 2 249.274 -0.085 20 0 BBADLO Cc1[nH]c(C(=O)NC[C@@H](O)c2ccnn2C)c[nH+]1 ZINC000886255026 592188654 /nfs/dbraw/zinc/18/86/54/592188654.db2.gz PBBXZIPWACGFJQ-SNVBAGLBSA-N 1 2 249.274 -0.085 20 0 BBADLO Cc1[nH]ncc1C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886255786 592188377 /nfs/dbraw/zinc/18/83/77/592188377.db2.gz KFQOBUMXFIFSKA-ILWJIGKKSA-N 1 2 211.265 -0.308 20 0 BBADLO COC(=O)[C@@H]1CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000886308163 592204375 /nfs/dbraw/zinc/20/43/75/592204375.db2.gz SKWKPAZEPJHNNN-BDAKNGLRSA-N 1 2 237.259 -0.049 20 0 BBADLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2[nH]ncc2C)C1 ZINC000886319314 592207545 /nfs/dbraw/zinc/20/75/45/592207545.db2.gz AQHXRFOXOZTXID-LLVKDONJSA-N 1 2 239.275 -0.172 20 0 BBADLO COC(=O)[C@@]1(O)CC[N@H+](Cc2[nH]ncc2C)C1 ZINC000886319314 592207543 /nfs/dbraw/zinc/20/75/43/592207543.db2.gz AQHXRFOXOZTXID-LLVKDONJSA-N 1 2 239.275 -0.172 20 0 BBADLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2n[nH]cc2C)C1 ZINC000886319314 592207541 /nfs/dbraw/zinc/20/75/41/592207541.db2.gz AQHXRFOXOZTXID-LLVKDONJSA-N 1 2 239.275 -0.172 20 0 BBADLO COC(=O)[C@@]1(O)CC[N@H+](Cc2n[nH]cc2C)C1 ZINC000886319314 592207538 /nfs/dbraw/zinc/20/75/38/592207538.db2.gz AQHXRFOXOZTXID-LLVKDONJSA-N 1 2 239.275 -0.172 20 0 BBADLO COC(=O)[C@]1(O)CC[N@@H+](Cc2[nH]ncc2C)C1 ZINC000886319315 592207444 /nfs/dbraw/zinc/20/74/44/592207444.db2.gz AQHXRFOXOZTXID-NSHDSACASA-N 1 2 239.275 -0.172 20 0 BBADLO COC(=O)[C@]1(O)CC[N@H+](Cc2[nH]ncc2C)C1 ZINC000886319315 592207442 /nfs/dbraw/zinc/20/74/42/592207442.db2.gz AQHXRFOXOZTXID-NSHDSACASA-N 1 2 239.275 -0.172 20 0 BBADLO COC(=O)[C@]1(O)CC[N@@H+](Cc2n[nH]cc2C)C1 ZINC000886319315 592207440 /nfs/dbraw/zinc/20/74/40/592207440.db2.gz AQHXRFOXOZTXID-NSHDSACASA-N 1 2 239.275 -0.172 20 0 BBADLO COC(=O)[C@]1(O)CC[N@H+](Cc2n[nH]cc2C)C1 ZINC000886319315 592207437 /nfs/dbraw/zinc/20/74/37/592207437.db2.gz AQHXRFOXOZTXID-NSHDSACASA-N 1 2 239.275 -0.172 20 0 BBADLO Cc1[nH]ncc1C[NH2+]CCN1CCNC1=O ZINC000886324421 592209100 /nfs/dbraw/zinc/20/91/00/592209100.db2.gz PPCSKGMNSBYPDE-UHFFFAOYSA-N 1 2 223.280 -0.167 20 0 BBADLO O=C1NCCN1CC[NH2+]Cc1ccn[nH]1 ZINC000886324488 592209143 /nfs/dbraw/zinc/20/91/43/592209143.db2.gz UFWQTUXIXIKLTI-UHFFFAOYSA-N 1 2 209.253 -0.476 20 0 BBADLO Nc1nc(N)nc(C[N@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC000886328405 592210236 /nfs/dbraw/zinc/21/02/36/592210236.db2.gz IJJYSEWNCSNQKU-OLQVQODUSA-N 1 2 206.253 -0.512 20 0 BBADLO Nc1nc(N)nc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC000886328405 592210234 /nfs/dbraw/zinc/21/02/34/592210234.db2.gz IJJYSEWNCSNQKU-OLQVQODUSA-N 1 2 206.253 -0.512 20 0 BBADLO CN(C)c1nc(N)nc(C[N@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC000886341095 592212209 /nfs/dbraw/zinc/21/22/09/592212209.db2.gz PITKROYZNPJGBQ-OCAPTIKFSA-N 1 2 234.307 -0.029 20 0 BBADLO CN(C)c1nc(N)nc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC000886341095 592212207 /nfs/dbraw/zinc/21/22/07/592212207.db2.gz PITKROYZNPJGBQ-OCAPTIKFSA-N 1 2 234.307 -0.029 20 0 BBADLO OC[C@H]1CN(CCF)CC[N@H+]1CCF ZINC000886371716 592220717 /nfs/dbraw/zinc/22/07/17/592220717.db2.gz RVGWRJOUDYZZHA-SECBINFHSA-N 1 2 208.252 -0.096 20 0 BBADLO OC[C@H]1CN(CCF)CC[N@@H+]1CCF ZINC000886371716 592220716 /nfs/dbraw/zinc/22/07/16/592220716.db2.gz RVGWRJOUDYZZHA-SECBINFHSA-N 1 2 208.252 -0.096 20 0 BBADLO OC[C@H]1C[N@@H+](CCF)CCN1CCF ZINC000886371716 592220713 /nfs/dbraw/zinc/22/07/13/592220713.db2.gz RVGWRJOUDYZZHA-SECBINFHSA-N 1 2 208.252 -0.096 20 0 BBADLO OC[C@H]1C[N@H+](CCF)CCN1CCF ZINC000886371716 592220711 /nfs/dbraw/zinc/22/07/11/592220711.db2.gz RVGWRJOUDYZZHA-SECBINFHSA-N 1 2 208.252 -0.096 20 0 BBADLO OC[C@@H]1CN(CCF)CC[N@H+]1CCF ZINC000886371717 592220853 /nfs/dbraw/zinc/22/08/53/592220853.db2.gz RVGWRJOUDYZZHA-VIFPVBQESA-N 1 2 208.252 -0.096 20 0 BBADLO OC[C@@H]1CN(CCF)CC[N@@H+]1CCF ZINC000886371717 592220852 /nfs/dbraw/zinc/22/08/52/592220852.db2.gz RVGWRJOUDYZZHA-VIFPVBQESA-N 1 2 208.252 -0.096 20 0 BBADLO OC[C@@H]1C[N@@H+](CCF)CCN1CCF ZINC000886371717 592220851 /nfs/dbraw/zinc/22/08/51/592220851.db2.gz RVGWRJOUDYZZHA-VIFPVBQESA-N 1 2 208.252 -0.096 20 0 BBADLO OC[C@@H]1C[N@H+](CCF)CCN1CCF ZINC000886371717 592220850 /nfs/dbraw/zinc/22/08/50/592220850.db2.gz RVGWRJOUDYZZHA-VIFPVBQESA-N 1 2 208.252 -0.096 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@H+]1CCCn2nncc2C1 ZINC000886447319 592226340 /nfs/dbraw/zinc/22/63/40/592226340.db2.gz FUWRBKOJCOKEEZ-SECBINFHSA-N 1 2 237.307 -0.040 20 0 BBADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCCn2nncc2C1 ZINC000886447319 592226337 /nfs/dbraw/zinc/22/63/37/592226337.db2.gz FUWRBKOJCOKEEZ-SECBINFHSA-N 1 2 237.307 -0.040 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCCn2nncc2C1 ZINC000886447320 592225969 /nfs/dbraw/zinc/22/59/69/592225969.db2.gz FUWRBKOJCOKEEZ-VIFPVBQESA-N 1 2 237.307 -0.040 20 0 BBADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCCn2nncc2C1 ZINC000886447320 592225966 /nfs/dbraw/zinc/22/59/66/592225966.db2.gz FUWRBKOJCOKEEZ-VIFPVBQESA-N 1 2 237.307 -0.040 20 0 BBADLO CCNC(=O)C[N@H+]1CCCn2nncc2C1 ZINC000886450344 592225627 /nfs/dbraw/zinc/22/56/27/592225627.db2.gz WZQJJZTZEJXEKQ-UHFFFAOYSA-N 1 2 223.280 -0.380 20 0 BBADLO CCNC(=O)C[N@@H+]1CCCn2nncc2C1 ZINC000886450344 592225625 /nfs/dbraw/zinc/22/56/25/592225625.db2.gz WZQJJZTZEJXEKQ-UHFFFAOYSA-N 1 2 223.280 -0.380 20 0 BBADLO CN1CC[C@H]([N@H+]2CCCn3nncc3C2)C1=O ZINC000886455093 585136669 /nfs/dbraw/zinc/13/66/69/585136669.db2.gz ACAKDCFDRHFHEY-JTQLQIEISA-N 1 2 235.291 -0.286 20 0 BBADLO CN1CC[C@H]([N@@H+]2CCCn3nncc3C2)C1=O ZINC000886455093 585136668 /nfs/dbraw/zinc/13/66/68/585136668.db2.gz ACAKDCFDRHFHEY-JTQLQIEISA-N 1 2 235.291 -0.286 20 0 BBADLO CN1CC[C@@H]([N@H+]2CCCn3nncc3C2)C1=O ZINC000886455094 585136793 /nfs/dbraw/zinc/13/67/93/585136793.db2.gz ACAKDCFDRHFHEY-SNVBAGLBSA-N 1 2 235.291 -0.286 20 0 BBADLO CN1CC[C@@H]([N@@H+]2CCCn3nncc3C2)C1=O ZINC000886455094 585136792 /nfs/dbraw/zinc/13/67/92/585136792.db2.gz ACAKDCFDRHFHEY-SNVBAGLBSA-N 1 2 235.291 -0.286 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1CCCn2nncc2C1 ZINC000886455283 592226521 /nfs/dbraw/zinc/22/65/21/592226521.db2.gz INJXWXYIFMUMSG-SECBINFHSA-N 1 2 223.280 -0.252 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1CCCn2nncc2C1 ZINC000886455283 592226520 /nfs/dbraw/zinc/22/65/20/592226520.db2.gz INJXWXYIFMUMSG-SECBINFHSA-N 1 2 223.280 -0.252 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+]1CCCn2nncc2C1 ZINC000886455284 592226634 /nfs/dbraw/zinc/22/66/34/592226634.db2.gz INJXWXYIFMUMSG-VIFPVBQESA-N 1 2 223.280 -0.252 20 0 BBADLO CC[C@@H](C(N)=O)[N@@H+]1CCCn2nncc2C1 ZINC000886455284 592226633 /nfs/dbraw/zinc/22/66/33/592226633.db2.gz INJXWXYIFMUMSG-VIFPVBQESA-N 1 2 223.280 -0.252 20 0 BBADLO CCN(C)C(=O)C[N@H+]1CCCn2nncc2C1 ZINC000886455430 592227024 /nfs/dbraw/zinc/22/70/24/592227024.db2.gz OARFSQYBBDXDPD-UHFFFAOYSA-N 1 2 237.307 -0.038 20 0 BBADLO CCN(C)C(=O)C[N@@H+]1CCCn2nncc2C1 ZINC000886455430 592227023 /nfs/dbraw/zinc/22/70/23/592227023.db2.gz OARFSQYBBDXDPD-UHFFFAOYSA-N 1 2 237.307 -0.038 20 0 BBADLO c1nnn2c1C[N@@H+](CC1OCCO1)CCC2 ZINC000886462664 592227962 /nfs/dbraw/zinc/22/79/62/592227962.db2.gz AFBJKIJDYTXSRW-UHFFFAOYSA-N 1 2 224.264 -0.143 20 0 BBADLO c1nnn2c1C[N@H+](CC1OCCO1)CCC2 ZINC000886462664 592227961 /nfs/dbraw/zinc/22/79/61/592227961.db2.gz AFBJKIJDYTXSRW-UHFFFAOYSA-N 1 2 224.264 -0.143 20 0 BBADLO Cn1ncc(C[N@H+]2CCCn3nncc3C2)n1 ZINC000886464946 592229246 /nfs/dbraw/zinc/22/92/46/592229246.db2.gz NCTIXDRINRXEMH-UHFFFAOYSA-N 1 2 233.279 -0.188 20 0 BBADLO Cn1ncc(C[N@@H+]2CCCn3nncc3C2)n1 ZINC000886464946 592229245 /nfs/dbraw/zinc/22/92/45/592229245.db2.gz NCTIXDRINRXEMH-UHFFFAOYSA-N 1 2 233.279 -0.188 20 0 BBADLO CC(=O)[C@](C)(O)C[N@H+]1CCCn2nncc2C1 ZINC000886465065 592229237 /nfs/dbraw/zinc/22/92/37/592229237.db2.gz QJNNHGBVHXIEJP-LLVKDONJSA-N 1 2 238.291 -0.176 20 0 BBADLO CC(=O)[C@](C)(O)C[N@@H+]1CCCn2nncc2C1 ZINC000886465065 592229236 /nfs/dbraw/zinc/22/92/36/592229236.db2.gz QJNNHGBVHXIEJP-LLVKDONJSA-N 1 2 238.291 -0.176 20 0 BBADLO CC(=O)[C@@](C)(O)C[N@H+]1CCCn2nncc2C1 ZINC000886465066 592228783 /nfs/dbraw/zinc/22/87/83/592228783.db2.gz QJNNHGBVHXIEJP-NSHDSACASA-N 1 2 238.291 -0.176 20 0 BBADLO CC(=O)[C@@](C)(O)C[N@@H+]1CCCn2nncc2C1 ZINC000886465066 592228782 /nfs/dbraw/zinc/22/87/82/592228782.db2.gz QJNNHGBVHXIEJP-NSHDSACASA-N 1 2 238.291 -0.176 20 0 BBADLO C[N@@H+](CC(=O)Nc1ccon1)[C@@H]1COC[C@H]1O ZINC000886504208 592239571 /nfs/dbraw/zinc/23/95/71/592239571.db2.gz VQXKHGHGQDRDBN-HTQZYQBOSA-N 1 2 241.247 -0.695 20 0 BBADLO C[N@H+](CC(=O)Nc1ccon1)[C@@H]1COC[C@H]1O ZINC000886504208 592239570 /nfs/dbraw/zinc/23/95/70/592239570.db2.gz VQXKHGHGQDRDBN-HTQZYQBOSA-N 1 2 241.247 -0.695 20 0 BBADLO Cn1cnc(C[N@@H+](C)[C@@H]2COC[C@H]2O)c1 ZINC000886516311 592242268 /nfs/dbraw/zinc/24/22/68/592242268.db2.gz BXEVKQSRPIXFCR-NXEZZACHSA-N 1 2 211.265 -0.388 20 0 BBADLO Cn1cnc(C[N@H+](C)[C@@H]2COC[C@H]2O)c1 ZINC000886516311 592242267 /nfs/dbraw/zinc/24/22/67/592242267.db2.gz BXEVKQSRPIXFCR-NXEZZACHSA-N 1 2 211.265 -0.388 20 0 BBADLO COc1nccc(C[N@@H+](C)[C@@H]2COC[C@H]2O)n1 ZINC000886516549 592242047 /nfs/dbraw/zinc/24/20/47/592242047.db2.gz NETSZDGEYXGLPA-NXEZZACHSA-N 1 2 239.275 -0.323 20 0 BBADLO COc1nccc(C[N@H+](C)[C@@H]2COC[C@H]2O)n1 ZINC000886516549 592242045 /nfs/dbraw/zinc/24/20/45/592242045.db2.gz NETSZDGEYXGLPA-NXEZZACHSA-N 1 2 239.275 -0.323 20 0 BBADLO CCn1nnc(C)c1C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000886517431 592242653 /nfs/dbraw/zinc/24/26/53/592242653.db2.gz CSFUBJWZKOMFQC-GHMZBOCLSA-N 1 2 240.307 -0.202 20 0 BBADLO CCn1nnc(C)c1C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000886517431 592242652 /nfs/dbraw/zinc/24/26/52/592242652.db2.gz CSFUBJWZKOMFQC-GHMZBOCLSA-N 1 2 240.307 -0.202 20 0 BBADLO C[N@@H+](CC(=O)NCC(C)(C)C)[C@@H]1COC[C@H]1O ZINC000886517480 592242165 /nfs/dbraw/zinc/24/21/65/592242165.db2.gz FLOZZSHMTCWPIL-NXEZZACHSA-N 1 2 244.335 -0.160 20 0 BBADLO C[N@H+](CC(=O)NCC(C)(C)C)[C@@H]1COC[C@H]1O ZINC000886517480 592242161 /nfs/dbraw/zinc/24/21/61/592242161.db2.gz FLOZZSHMTCWPIL-NXEZZACHSA-N 1 2 244.335 -0.160 20 0 BBADLO Cc1nnc([C@@H](C)[N@@H+](C)[C@@H]2COC[C@H]2O)[nH]1 ZINC000886517622 592242527 /nfs/dbraw/zinc/24/25/27/592242527.db2.gz KJGPDDJHUXNYTB-FTLITQJKSA-N 1 2 226.280 -0.134 20 0 BBADLO Cc1nnc([C@@H](C)[N@H+](C)[C@@H]2COC[C@H]2O)[nH]1 ZINC000886517622 592242526 /nfs/dbraw/zinc/24/25/26/592242526.db2.gz KJGPDDJHUXNYTB-FTLITQJKSA-N 1 2 226.280 -0.134 20 0 BBADLO Cc1nnc([C@H](C)[N@@H+](C)[C@@H]2COC[C@H]2O)[nH]1 ZINC000886517623 592242616 /nfs/dbraw/zinc/24/26/16/592242616.db2.gz KJGPDDJHUXNYTB-NBEYISGCSA-N 1 2 226.280 -0.134 20 0 BBADLO Cc1nnc([C@H](C)[N@H+](C)[C@@H]2COC[C@H]2O)[nH]1 ZINC000886517623 592242613 /nfs/dbraw/zinc/24/26/13/592242613.db2.gz KJGPDDJHUXNYTB-NBEYISGCSA-N 1 2 226.280 -0.134 20 0 BBADLO CCn1nncc1C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000886517630 592243133 /nfs/dbraw/zinc/24/31/33/592243133.db2.gz KTXSRECLXPUUJF-NXEZZACHSA-N 1 2 226.280 -0.511 20 0 BBADLO CCn1nncc1C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000886517630 592243130 /nfs/dbraw/zinc/24/31/30/592243130.db2.gz KTXSRECLXPUUJF-NXEZZACHSA-N 1 2 226.280 -0.511 20 0 BBADLO C[C@@H](C[N@@H+](C)[C@@H]1COC[C@H]1O)S(C)(=O)=O ZINC000886517794 592242121 /nfs/dbraw/zinc/24/21/21/592242121.db2.gz RFEUCOOOVDJGLI-DJLDLDEBSA-N 1 2 237.321 -0.889 20 0 BBADLO C[C@@H](C[N@H+](C)[C@@H]1COC[C@H]1O)S(C)(=O)=O ZINC000886517794 592242117 /nfs/dbraw/zinc/24/21/17/592242117.db2.gz RFEUCOOOVDJGLI-DJLDLDEBSA-N 1 2 237.321 -0.889 20 0 BBADLO C[C@H](C[N@@H+](C)[C@@H]1COC[C@H]1O)S(C)(=O)=O ZINC000886517795 592242342 /nfs/dbraw/zinc/24/23/42/592242342.db2.gz RFEUCOOOVDJGLI-IWSPIJDZSA-N 1 2 237.321 -0.889 20 0 BBADLO C[C@H](C[N@H+](C)[C@@H]1COC[C@H]1O)S(C)(=O)=O ZINC000886517795 592242334 /nfs/dbraw/zinc/24/23/34/592242334.db2.gz RFEUCOOOVDJGLI-IWSPIJDZSA-N 1 2 237.321 -0.889 20 0 BBADLO CNS(=O)(=O)CC[NH2+][C@H](C)c1ncco1 ZINC000886540854 592253768 /nfs/dbraw/zinc/25/37/68/592253768.db2.gz LUQYJMIALOQCLL-SSDOTTSWSA-N 1 2 233.293 -0.126 20 0 BBADLO CNS(=O)(=O)CC[NH2+][C@@H](C)c1ncco1 ZINC000886540855 592254350 /nfs/dbraw/zinc/25/43/50/592254350.db2.gz LUQYJMIALOQCLL-ZETCQYMHSA-N 1 2 233.293 -0.126 20 0 BBADLO O=c1[nH]nc(C[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)[nH]1 ZINC000886575473 592266547 /nfs/dbraw/zinc/26/65/47/592266547.db2.gz UZXVRLVVLYVKLC-GJMOJQLCSA-N 1 2 224.264 -0.287 20 0 BBADLO O=c1[nH]nc(C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)[nH]1 ZINC000886575473 592266545 /nfs/dbraw/zinc/26/65/45/592266545.db2.gz UZXVRLVVLYVKLC-GJMOJQLCSA-N 1 2 224.264 -0.287 20 0 BBADLO CCn1c[nH+]c2c1CCN(C(=O)[C@H]1CC(=O)N1)C2 ZINC000886609886 592274018 /nfs/dbraw/zinc/27/40/18/592274018.db2.gz HQDPKEQSBQRBND-MRVPVSSYSA-N 1 2 248.286 -0.324 20 0 BBADLO CCn1c[nH+]c2c1CCN(C(=O)[C@@H]1CC(=O)N1)C2 ZINC000886609887 592274117 /nfs/dbraw/zinc/27/41/17/592274117.db2.gz HQDPKEQSBQRBND-QMMMGPOBSA-N 1 2 248.286 -0.324 20 0 BBADLO Cn1nnc(C[N@H+]2CC[C@@]3(CO)CCC[C@@H]23)n1 ZINC000886632709 592282819 /nfs/dbraw/zinc/28/28/19/592282819.db2.gz CBQQYNOOCWPHFF-MWLCHTKSSA-N 1 2 237.307 -0.053 20 0 BBADLO Cn1nnc(C[N@@H+]2CC[C@@]3(CO)CCC[C@@H]23)n1 ZINC000886632709 592282816 /nfs/dbraw/zinc/28/28/16/592282816.db2.gz CBQQYNOOCWPHFF-MWLCHTKSSA-N 1 2 237.307 -0.053 20 0 BBADLO NC(=O)C[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886793154 592325694 /nfs/dbraw/zinc/32/56/94/592325694.db2.gz BWNNJAONJPKOKF-SSDOTTSWSA-N 1 2 226.198 -0.282 20 0 BBADLO NC(=O)C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886793154 592325689 /nfs/dbraw/zinc/32/56/89/592325689.db2.gz BWNNJAONJPKOKF-SSDOTTSWSA-N 1 2 226.198 -0.282 20 0 BBADLO NC(=O)C[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886793155 592325137 /nfs/dbraw/zinc/32/51/37/592325137.db2.gz BWNNJAONJPKOKF-ZETCQYMHSA-N 1 2 226.198 -0.282 20 0 BBADLO NC(=O)C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886793155 592325131 /nfs/dbraw/zinc/32/51/31/592325131.db2.gz BWNNJAONJPKOKF-ZETCQYMHSA-N 1 2 226.198 -0.282 20 0 BBADLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886852562 592367664 /nfs/dbraw/zinc/36/76/64/592367664.db2.gz OOOGDYYYPVCXRK-VIFPVBQESA-N 1 2 243.307 -0.057 20 0 BBADLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886852562 592367659 /nfs/dbraw/zinc/36/76/59/592367659.db2.gz OOOGDYYYPVCXRK-VIFPVBQESA-N 1 2 243.307 -0.057 20 0 BBADLO COC(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC000886852667 592367965 /nfs/dbraw/zinc/36/79/65/592367965.db2.gz RPHIYQHBDVCBPT-QMMMGPOBSA-N 1 2 239.279 -0.255 20 0 BBADLO COC(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC000886852667 592367960 /nfs/dbraw/zinc/36/79/60/592367960.db2.gz RPHIYQHBDVCBPT-QMMMGPOBSA-N 1 2 239.279 -0.255 20 0 BBADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886852791 592368263 /nfs/dbraw/zinc/36/82/63/592368263.db2.gz WQODSAJXVDVSFF-ZETCQYMHSA-N 1 2 215.253 -0.837 20 0 BBADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886852791 592368258 /nfs/dbraw/zinc/36/82/58/592368258.db2.gz WQODSAJXVDVSFF-ZETCQYMHSA-N 1 2 215.253 -0.837 20 0 BBADLO COC(=O)N[C@H]1CC[N@@H+](Cc2cn(C)nn2)C1 ZINC000886856040 592370466 /nfs/dbraw/zinc/37/04/66/592370466.db2.gz DAOZZLGQJJLURI-QMMMGPOBSA-N 1 2 239.279 -0.255 20 0 BBADLO COC(=O)N[C@H]1CC[N@H+](Cc2cn(C)nn2)C1 ZINC000886856040 592370462 /nfs/dbraw/zinc/37/04/62/592370462.db2.gz DAOZZLGQJJLURI-QMMMGPOBSA-N 1 2 239.279 -0.255 20 0 BBADLO COC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)OC)C1 ZINC000886856489 592369382 /nfs/dbraw/zinc/36/93/82/592369382.db2.gz VPVHDPDZERSKCK-QMMMGPOBSA-N 1 2 245.279 -0.564 20 0 BBADLO COC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)OC)C1 ZINC000886856489 592369377 /nfs/dbraw/zinc/36/93/77/592369377.db2.gz VPVHDPDZERSKCK-QMMMGPOBSA-N 1 2 245.279 -0.564 20 0 BBADLO COC[C@H]1COCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000886857136 592369107 /nfs/dbraw/zinc/36/91/07/592369107.db2.gz MKIKFHPVEYGSKE-JTQLQIEISA-N 1 2 239.275 -0.174 20 0 BBADLO COC[C@@H]1COCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000886857137 592370121 /nfs/dbraw/zinc/37/01/21/592370121.db2.gz MKIKFHPVEYGSKE-SNVBAGLBSA-N 1 2 239.275 -0.174 20 0 BBADLO COC[C@@H]1COCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000886860599 592372011 /nfs/dbraw/zinc/37/20/11/592372011.db2.gz GVUHORFLZICEBC-SECBINFHSA-N 1 2 239.275 -0.174 20 0 BBADLO 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CC[C@@](C)(NC(=O)Cn1cc[nH+]c1)C(N)=O ZINC000888545869 589705976 /nfs/dbraw/zinc/70/59/76/589705976.db2.gz FDSWQTBWFPWLIE-SNVBAGLBSA-N 1 2 224.264 -0.347 20 0 BBADLO CC[C@@](C)(NC(=O)[C@@H]1C[N@@H+](C)CCO1)C(N)=O ZINC000888550945 589719090 /nfs/dbraw/zinc/71/90/90/589719090.db2.gz DOOZTKDLMCUWFB-GZMMTYOYSA-N 1 2 243.307 -0.913 20 0 BBADLO CC[C@@](C)(NC(=O)[C@@H]1C[N@H+](C)CCO1)C(N)=O ZINC000888550945 589719086 /nfs/dbraw/zinc/71/90/86/589719086.db2.gz DOOZTKDLMCUWFB-GZMMTYOYSA-N 1 2 243.307 -0.913 20 0 BBADLO CC[C@](C)(NC(=O)[C@H]1C[N@@H+](C)CCO1)C(N)=O ZINC000888550946 589719443 /nfs/dbraw/zinc/71/94/43/589719443.db2.gz DOOZTKDLMCUWFB-KCJUWKMLSA-N 1 2 243.307 -0.913 20 0 BBADLO CC[C@](C)(NC(=O)[C@H]1C[N@H+](C)CCO1)C(N)=O ZINC000888550946 589719441 /nfs/dbraw/zinc/71/94/41/589719441.db2.gz DOOZTKDLMCUWFB-KCJUWKMLSA-N 1 2 243.307 -0.913 20 0 BBADLO CC[C@](C)(NC(=O)[C@@H]1C[N@@H+](C)CCO1)C(N)=O ZINC000888550947 589719550 /nfs/dbraw/zinc/71/95/50/589719550.db2.gz DOOZTKDLMCUWFB-KWQFWETISA-N 1 2 243.307 -0.913 20 0 BBADLO CC[C@](C)(NC(=O)[C@@H]1C[N@H+](C)CCO1)C(N)=O ZINC000888550947 589719548 /nfs/dbraw/zinc/71/95/48/589719548.db2.gz DOOZTKDLMCUWFB-KWQFWETISA-N 1 2 243.307 -0.913 20 0 BBADLO CC[C@@](C)(NC(=O)[C@H]1C[N@@H+](C)CCO1)C(N)=O ZINC000888550948 589719588 /nfs/dbraw/zinc/71/95/88/589719588.db2.gz DOOZTKDLMCUWFB-LDYMZIIASA-N 1 2 243.307 -0.913 20 0 BBADLO CC[C@@](C)(NC(=O)[C@H]1C[N@H+](C)CCO1)C(N)=O ZINC000888550948 589719584 /nfs/dbraw/zinc/71/95/84/589719584.db2.gz DOOZTKDLMCUWFB-LDYMZIIASA-N 1 2 243.307 -0.913 20 0 BBADLO O=C(Cn1cc[nH+]c1)N1CC(N2CCCC2=O)C1 ZINC000888750551 590402413 /nfs/dbraw/zinc/40/24/13/590402413.db2.gz ZSCQTIIDOQQICZ-UHFFFAOYSA-N 1 2 248.286 -0.284 20 0 BBADLO Cc1[nH]c(C(=O)N[C@@]2(C)CCNC2=O)c[nH+]1 ZINC000889038465 592461419 /nfs/dbraw/zinc/46/14/19/592461419.db2.gz JLNBLXDKLKVLBW-JTQLQIEISA-N 1 2 222.248 -0.273 20 0 BBADLO Cc1[nH]c(C(=O)N[C@]2(C)CCNC2=O)c[nH+]1 ZINC000889038466 592461116 /nfs/dbraw/zinc/46/11/16/592461116.db2.gz JLNBLXDKLKVLBW-SNVBAGLBSA-N 1 2 222.248 -0.273 20 0 BBADLO CN1CN(C(=O)N[C@@H]2CCn3cc[nH+]c32)CC1=O ZINC000889120448 582803661 /nfs/dbraw/zinc/80/36/61/582803661.db2.gz GMIBXVQNMUMXIA-MRVPVSSYSA-N 1 2 249.274 -0.231 20 0 BBADLO CN1CN(C(=O)N[C@H]2CCn3cc[nH+]c32)CC1=O ZINC000889120449 582803819 /nfs/dbraw/zinc/80/38/19/582803819.db2.gz GMIBXVQNMUMXIA-QMMMGPOBSA-N 1 2 249.274 -0.231 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]1CO ZINC000889144718 582844808 /nfs/dbraw/zinc/84/48/08/582844808.db2.gz BLUQCSLFPIKOOR-NXEZZACHSA-N 1 2 228.292 -0.700 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]1CO ZINC000889144718 582844806 /nfs/dbraw/zinc/84/48/06/582844806.db2.gz BLUQCSLFPIKOOR-NXEZZACHSA-N 1 2 228.292 -0.700 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@H]1CO ZINC000889144719 582844651 /nfs/dbraw/zinc/84/46/51/582844651.db2.gz BLUQCSLFPIKOOR-UWVGGRQHSA-N 1 2 228.292 -0.700 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@H]1CO ZINC000889144719 582844649 /nfs/dbraw/zinc/84/46/49/582844649.db2.gz BLUQCSLFPIKOOR-UWVGGRQHSA-N 1 2 228.292 -0.700 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]1CO ZINC000889144720 582844535 /nfs/dbraw/zinc/84/45/35/582844535.db2.gz BLUQCSLFPIKOOR-VHSXEESVSA-N 1 2 228.292 -0.700 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]1CO ZINC000889144720 582844533 /nfs/dbraw/zinc/84/45/33/582844533.db2.gz BLUQCSLFPIKOOR-VHSXEESVSA-N 1 2 228.292 -0.700 20 0 BBADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@H]1CO ZINC000889144721 582844605 /nfs/dbraw/zinc/84/46/05/582844605.db2.gz BLUQCSLFPIKOOR-ZJUUUORDSA-N 1 2 228.292 -0.700 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@H]1CO ZINC000889144721 582844604 /nfs/dbraw/zinc/84/46/04/582844604.db2.gz BLUQCSLFPIKOOR-ZJUUUORDSA-N 1 2 228.292 -0.700 20 0 BBADLO O=C(/C=C\C[NH+]1CCOCC1)N1CC[C@H]1CO ZINC000889152143 583969747 /nfs/dbraw/zinc/96/97/47/583969747.db2.gz MZRMEALLKMGNRH-BVBSBALXSA-N 1 2 240.303 -0.532 20 0 BBADLO O=C(/C=C/C[NH+]1CCOCC1)N1CC[C@@H]1CO ZINC000889152144 583969836 /nfs/dbraw/zinc/96/98/36/583969836.db2.gz MZRMEALLKMGNRH-FMBMQGQPSA-N 1 2 240.303 -0.532 20 0 BBADLO O=C(/C=C/C[NH+]1CCOCC1)N1CC[C@H]1CO ZINC000889152145 583969475 /nfs/dbraw/zinc/96/94/75/583969475.db2.gz MZRMEALLKMGNRH-GXFZAYBSSA-N 1 2 240.303 -0.532 20 0 BBADLO O=C(/C=C\C[NH+]1CCOCC1)N1CC[C@@H]1CO ZINC000889152146 583969562 /nfs/dbraw/zinc/96/95/62/583969562.db2.gz MZRMEALLKMGNRH-RFMOXSJOSA-N 1 2 240.303 -0.532 20 0 BBADLO CO[C@@H]1CCOC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000889187753 585005490 /nfs/dbraw/zinc/00/54/90/585005490.db2.gz HTRFXCBNDFXEHB-NXEZZACHSA-N 1 2 239.275 -0.197 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000889447332 592610549 /nfs/dbraw/zinc/61/05/49/592610549.db2.gz NYYDGGOKUXOGNC-AXFHLTTASA-N 1 2 239.319 -0.022 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000889447332 592610547 /nfs/dbraw/zinc/61/05/47/592610547.db2.gz NYYDGGOKUXOGNC-AXFHLTTASA-N 1 2 239.319 -0.022 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000889447335 592610953 /nfs/dbraw/zinc/61/09/53/592610953.db2.gz NYYDGGOKUXOGNC-OUAUKWLOSA-N 1 2 239.319 -0.022 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000889447335 592610951 /nfs/dbraw/zinc/61/09/51/592610951.db2.gz NYYDGGOKUXOGNC-OUAUKWLOSA-N 1 2 239.319 -0.022 20 0 BBADLO Cc1nc(CNC(=O)[C@H](C)[NH+](C)C)n[nH]1 ZINC000889697963 584120915 /nfs/dbraw/zinc/12/09/15/584120915.db2.gz JZFBMHGYDOSURE-LURJTMIESA-N 1 2 211.269 -0.321 20 0 BBADLO Cc1nc(CNC(=O)[C@@H](C)[NH+](C)C)n[nH]1 ZINC000889697968 584120873 /nfs/dbraw/zinc/12/08/73/584120873.db2.gz JZFBMHGYDOSURE-ZCFIWIBFSA-N 1 2 211.269 -0.321 20 0 BBADLO Cc1nc(CNC(=O)[C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000889698506 592646641 /nfs/dbraw/zinc/64/66/41/592646641.db2.gz RXAYTEBBTMBSRP-MRVPVSSYSA-N 1 2 223.280 -0.176 20 0 BBADLO Cc1nc(CNC(=O)[C@H]2CCC[N@H+]2C)n[nH]1 ZINC000889698506 592646639 /nfs/dbraw/zinc/64/66/39/592646639.db2.gz RXAYTEBBTMBSRP-MRVPVSSYSA-N 1 2 223.280 -0.176 20 0 BBADLO Cc1nc(CNC(=O)[C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000889698507 592645960 /nfs/dbraw/zinc/64/59/60/592645960.db2.gz RXAYTEBBTMBSRP-QMMMGPOBSA-N 1 2 223.280 -0.176 20 0 BBADLO Cc1nc(CNC(=O)[C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000889698507 592645959 /nfs/dbraw/zinc/64/59/59/592645959.db2.gz RXAYTEBBTMBSRP-QMMMGPOBSA-N 1 2 223.280 -0.176 20 0 BBADLO Cc1nc(CNC(=O)C2([NH+](C)C)CC2)n[nH]1 ZINC000889699689 592647189 /nfs/dbraw/zinc/64/71/89/592647189.db2.gz MBDSKIHIHUMKTI-UHFFFAOYSA-N 1 2 223.280 -0.176 20 0 BBADLO Cc1nc(CNC(=O)C[NH+]2CCCC2)n[nH]1 ZINC000889704517 592649815 /nfs/dbraw/zinc/64/98/15/592649815.db2.gz STZVCZQTEKKVSR-UHFFFAOYSA-N 1 2 223.280 -0.175 20 0 BBADLO COc1nn(C)cc1CNC(=O)Cn1cc[nH+]c1 ZINC000890025337 592670135 /nfs/dbraw/zinc/67/01/35/592670135.db2.gz HGICSFMPJZOGRI-UHFFFAOYSA-N 1 2 249.274 -0.058 20 0 BBADLO COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890100221 592678827 /nfs/dbraw/zinc/67/88/27/592678827.db2.gz RTDBICHYPSFZEU-DTWKUNHWSA-N 1 2 237.259 -0.155 20 0 BBADLO C[C@@H]1OCCO[C@@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890100365 592679189 /nfs/dbraw/zinc/67/91/89/592679189.db2.gz UNPORAUBKXTRHO-WPRPVWTQSA-N 1 2 239.275 -0.160 20 0 BBADLO CCn1cc(C(=O)NCc2cn(C)c[nH+]2)nn1 ZINC000890100779 592679878 /nfs/dbraw/zinc/67/98/78/592679878.db2.gz XQFUFAOTJRIBLS-UHFFFAOYSA-N 1 2 234.263 -0.039 20 0 BBADLO Cn1c[nH+]c(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)c1 ZINC000890103008 592680589 /nfs/dbraw/zinc/68/05/89/592680589.db2.gz DHHDXGXFXIBKMB-MYJAWHEDSA-N 1 2 221.260 -0.071 20 0 BBADLO C/C=C/[C@@H](O)C(=O)NCc1cn(C)c[nH+]1 ZINC000890103052 592679381 /nfs/dbraw/zinc/67/93/81/592679381.db2.gz FPCBGKITPRKUSH-CDAZIORVSA-N 1 2 209.249 -0.027 20 0 BBADLO C/C=C/[C@H](O)C(=O)NCc1cn(C)c[nH+]1 ZINC000890103053 592678840 /nfs/dbraw/zinc/67/88/40/592678840.db2.gz FPCBGKITPRKUSH-NWALNABHSA-N 1 2 209.249 -0.027 20 0 BBADLO C/C=C\[C@H](O)C(=O)NCc1cn(C)c[nH+]1 ZINC000890103054 592678956 /nfs/dbraw/zinc/67/89/56/592678956.db2.gz FPCBGKITPRKUSH-TYRPZCRBSA-N 1 2 209.249 -0.027 20 0 BBADLO C/C=C\[C@@H](O)C(=O)NCc1cn(C)c[nH+]1 ZINC000890103055 592678902 /nfs/dbraw/zinc/67/89/02/592678902.db2.gz FPCBGKITPRKUSH-ZBJFTSOASA-N 1 2 209.249 -0.027 20 0 BBADLO Cn1c[nH+]c(CNC(=O)[C@@H]2C[C@@H]2C(N)=O)c1 ZINC000890103241 592680394 /nfs/dbraw/zinc/68/03/94/592680394.db2.gz HOVIZGUTKWIOJX-JGVFFNPUSA-N 1 2 222.248 -0.842 20 0 BBADLO Cn1c[nH+]c(CNC(=O)[C@H]2C[C@@H](O)C2)c1 ZINC000890103977 592680543 /nfs/dbraw/zinc/68/05/43/592680543.db2.gz SDVGMAGTPOLOMA-OTSSQURYSA-N 1 2 209.249 -0.193 20 0 BBADLO CC(C)[C@H](NC=O)C(=O)NCc1cn(C)c[nH+]1 ZINC000890104388 592679995 /nfs/dbraw/zinc/67/99/95/592679995.db2.gz XYCMNUJSRSKZEL-JTQLQIEISA-N 1 2 238.291 -0.193 20 0 BBADLO Cn1c[nH+]c(CNC(=O)[C@H]2CN(C)C(=O)N2)c1 ZINC000890105167 585023473 /nfs/dbraw/zinc/02/34/73/585023473.db2.gz XXJIMNLZBMXFFC-MRVPVSSYSA-N 1 2 237.263 -0.940 20 0 BBADLO Cn1c[nH+]c(CNC(=O)[C@@H]2CN(C)C(=O)N2)c1 ZINC000890105168 585023437 /nfs/dbraw/zinc/02/34/37/585023437.db2.gz XXJIMNLZBMXFFC-QMMMGPOBSA-N 1 2 237.263 -0.940 20 0 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C[C@H]1OC(=O)N[C@@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890107271 592682038 /nfs/dbraw/zinc/68/20/38/592682038.db2.gz IFUWFDGRVPBTCH-SVRRBLITSA-N 1 2 238.247 -0.467 20 0 BBADLO C[C@@H]1OC(=O)N[C@@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890107272 592681555 /nfs/dbraw/zinc/68/15/55/592681555.db2.gz IFUWFDGRVPBTCH-XPUUQOCRSA-N 1 2 238.247 -0.467 20 0 BBADLO CCn1ncc(C(=O)NCc2cn(C)c[nH+]2)n1 ZINC000890107562 592683388 /nfs/dbraw/zinc/68/33/88/592683388.db2.gz PGGJTWAHGZPOJG-UHFFFAOYSA-N 1 2 234.263 -0.039 20 0 BBADLO CCn1nncc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890108148 592682894 /nfs/dbraw/zinc/68/28/94/592682894.db2.gz VJZPRXKPMJIPCI-UHFFFAOYSA-N 1 2 234.263 -0.039 20 0 BBADLO Cn1c[nH+]c(CNC(=O)[C@]2(O)CCSC2)c1 ZINC000890109261 592682888 /nfs/dbraw/zinc/68/28/88/592682888.db2.gz IHYWUWFAPJBPAW-JTQLQIEISA-N 1 2 241.316 -0.096 20 0 BBADLO Cn1c[nH+]c(CNC(=O)[C@@]2(O)CCSC2)c1 ZINC000890109262 592682599 /nfs/dbraw/zinc/68/25/99/592682599.db2.gz IHYWUWFAPJBPAW-SNVBAGLBSA-N 1 2 241.316 -0.096 20 0 BBADLO 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221.264 -0.240 20 0 BBADLO CCn1cc(C[NH2+]C2CN(C(=O)OC)C2)nn1 ZINC000893144939 583056777 /nfs/dbraw/zinc/05/67/77/583056777.db2.gz CUAYFJKIPJORKF-UHFFFAOYSA-N 1 2 239.279 -0.162 20 0 BBADLO CN(C)c1cc(N2C[C@H](O)C[C@H]2CO)[nH+]cn1 ZINC000893251108 583077829 /nfs/dbraw/zinc/07/78/29/583077829.db2.gz HTRCBMCDJALKCL-DTWKUNHWSA-N 1 2 238.291 -0.526 20 0 BBADLO CN(C)c1cc(N2C[C@H](O)C[C@H]2CO)nc[nH+]1 ZINC000893251108 583077827 /nfs/dbraw/zinc/07/78/27/583077827.db2.gz HTRCBMCDJALKCL-DTWKUNHWSA-N 1 2 238.291 -0.526 20 0 BBADLO OC[C@@H]1C[C@@H](O)CN1c1nccn2c[nH+]cc12 ZINC000893251468 583077904 /nfs/dbraw/zinc/07/79/04/583077904.db2.gz NWDJOSYPRIKYBX-DTWKUNHWSA-N 1 2 234.259 -0.339 20 0 BBADLO NC(=O)[C@@]1(O)CCN(c2nccn3c[nH+]cc23)C1 ZINC000893413869 583140055 /nfs/dbraw/zinc/14/00/55/583140055.db2.gz YZWWPKVHBVUNFO-LLVKDONJSA-N 1 2 247.258 -0.844 20 0 BBADLO NC(=O)[C@]1(O)CCN(c2nccn3c[nH+]cc23)C1 ZINC000893413870 583140117 /nfs/dbraw/zinc/14/01/17/583140117.db2.gz YZWWPKVHBVUNFO-NSHDSACASA-N 1 2 247.258 -0.844 20 0 BBADLO OC[C@@H]1CCN(c2nccn3c[nH+]cc23)C[C@H]1O ZINC000893441499 583143866 /nfs/dbraw/zinc/14/38/66/583143866.db2.gz FPTMSJNZUDWRJT-GXSJLCMTSA-N 1 2 248.286 -0.091 20 0 BBADLO OC[C@H]1CCN(c2nccn3c[nH+]cc23)C[C@@H]1O ZINC000893441500 583143880 /nfs/dbraw/zinc/14/38/80/583143880.db2.gz FPTMSJNZUDWRJT-KOLCDFICSA-N 1 2 248.286 -0.091 20 0 BBADLO OC[C@H]1CCN(c2nccn3c[nH+]cc23)C[C@H]1O ZINC000893441501 583144241 /nfs/dbraw/zinc/14/42/41/583144241.db2.gz FPTMSJNZUDWRJT-MWLCHTKSSA-N 1 2 248.286 -0.091 20 0 BBADLO OC[C@@H]1CCN(c2nccn3c[nH+]cc23)C[C@@H]1O ZINC000893441502 583143783 /nfs/dbraw/zinc/14/37/83/583143783.db2.gz FPTMSJNZUDWRJT-ONGXEEELSA-N 1 2 248.286 -0.091 20 0 BBADLO CNc1cc(N2CC[C@H](CO)[C@@H](O)C2)[nH+]cn1 ZINC000893443734 583144793 /nfs/dbraw/zinc/14/47/93/583144793.db2.gz TZEGIPVZEVBYDK-BDAKNGLRSA-N 1 2 238.291 -0.302 20 0 BBADLO CNc1cc(N2CC[C@H](CO)[C@@H](O)C2)nc[nH+]1 ZINC000893443734 583144791 /nfs/dbraw/zinc/14/47/91/583144791.db2.gz TZEGIPVZEVBYDK-BDAKNGLRSA-N 1 2 238.291 -0.302 20 0 BBADLO CNc1cc(N2CC[C@@H](CO)[C@H](O)C2)[nH+]cn1 ZINC000893443735 583144469 /nfs/dbraw/zinc/14/44/69/583144469.db2.gz TZEGIPVZEVBYDK-DTWKUNHWSA-N 1 2 238.291 -0.302 20 0 BBADLO CNc1cc(N2CC[C@@H](CO)[C@H](O)C2)nc[nH+]1 ZINC000893443735 583144466 /nfs/dbraw/zinc/14/44/66/583144466.db2.gz TZEGIPVZEVBYDK-DTWKUNHWSA-N 1 2 238.291 -0.302 20 0 BBADLO CNc1cc(N2CC[C@@H](CO)[C@@H](O)C2)[nH+]cn1 ZINC000893443736 583144501 /nfs/dbraw/zinc/14/45/01/583144501.db2.gz TZEGIPVZEVBYDK-IUCAKERBSA-N 1 2 238.291 -0.302 20 0 BBADLO CNc1cc(N2CC[C@@H](CO)[C@@H](O)C2)nc[nH+]1 ZINC000893443736 583144499 /nfs/dbraw/zinc/14/44/99/583144499.db2.gz TZEGIPVZEVBYDK-IUCAKERBSA-N 1 2 238.291 -0.302 20 0 BBADLO CNc1cc(N2CC[C@H](CO)[C@H](O)C2)[nH+]cn1 ZINC000893443737 583144578 /nfs/dbraw/zinc/14/45/78/583144578.db2.gz TZEGIPVZEVBYDK-RKDXNWHRSA-N 1 2 238.291 -0.302 20 0 BBADLO CNc1cc(N2CC[C@H](CO)[C@H](O)C2)nc[nH+]1 ZINC000893443737 583144577 /nfs/dbraw/zinc/14/45/77/583144577.db2.gz TZEGIPVZEVBYDK-RKDXNWHRSA-N 1 2 238.291 -0.302 20 0 BBADLO CNC(=O)[C@@H](O)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000893478774 583151418 /nfs/dbraw/zinc/15/14/18/583151418.db2.gz KYBNEWGEGCXFBA-APPZFPTMSA-N 1 2 239.275 -0.346 20 0 BBADLO CNC(=O)[C@@H](O)CNc1cccc([C@H](C)O)[nH+]1 ZINC000893478775 583151569 /nfs/dbraw/zinc/15/15/69/583151569.db2.gz KYBNEWGEGCXFBA-CBAPKCEASA-N 1 2 239.275 -0.346 20 0 BBADLO CNC(=O)[C@H](O)CNc1cccc([C@H](C)O)[nH+]1 ZINC000893478776 583151675 /nfs/dbraw/zinc/15/16/75/583151675.db2.gz KYBNEWGEGCXFBA-IONNQARKSA-N 1 2 239.275 -0.346 20 0 BBADLO CNC(=O)[C@H](O)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000893478777 583151366 /nfs/dbraw/zinc/15/13/66/583151366.db2.gz KYBNEWGEGCXFBA-VXNVDRBHSA-N 1 2 239.275 -0.346 20 0 BBADLO CNC(=O)[C@@H](O)CNc1cc(NC)nc[nH+]1 ZINC000893479574 583151375 /nfs/dbraw/zinc/15/13/75/583151375.db2.gz UAMMESCVFAQHOZ-LURJTMIESA-N 1 2 225.252 -0.963 20 0 BBADLO CNC(=O)[C@H](O)CNc1cc(NC)nc[nH+]1 ZINC000893479575 583151659 /nfs/dbraw/zinc/15/16/59/583151659.db2.gz UAMMESCVFAQHOZ-ZCFIWIBFSA-N 1 2 225.252 -0.963 20 0 BBADLO CNC(=O)[C@H](O)CNc1cc(N(C)C)[nH+]cn1 ZINC000893480141 583151595 /nfs/dbraw/zinc/15/15/95/583151595.db2.gz ZURGMEKFRBKJDV-SSDOTTSWSA-N 1 2 239.279 -0.939 20 0 BBADLO CNC(=O)[C@H](O)CNc1cc(N(C)C)nc[nH+]1 ZINC000893480141 583151593 /nfs/dbraw/zinc/15/15/93/583151593.db2.gz ZURGMEKFRBKJDV-SSDOTTSWSA-N 1 2 239.279 -0.939 20 0 BBADLO CNC(=O)[C@@H](O)CNc1cc(N(C)C)[nH+]cn1 ZINC000893480142 583151481 /nfs/dbraw/zinc/15/14/81/583151481.db2.gz ZURGMEKFRBKJDV-ZETCQYMHSA-N 1 2 239.279 -0.939 20 0 BBADLO CNC(=O)[C@@H](O)CNc1cc(N(C)C)nc[nH+]1 ZINC000893480142 583151478 /nfs/dbraw/zinc/15/14/78/583151478.db2.gz ZURGMEKFRBKJDV-ZETCQYMHSA-N 1 2 239.279 -0.939 20 0 BBADLO COC[C@@H](CO)Nc1cc(N(C)C)[nH+]cn1 ZINC000893621093 583175168 /nfs/dbraw/zinc/17/51/68/583175168.db2.gz JVZKYEBNDYPICE-MRVPVSSYSA-N 1 2 226.280 -0.038 20 0 BBADLO COC[C@@H](CO)Nc1cc(N(C)C)nc[nH+]1 ZINC000893621093 583175166 /nfs/dbraw/zinc/17/51/66/583175166.db2.gz JVZKYEBNDYPICE-MRVPVSSYSA-N 1 2 226.280 -0.038 20 0 BBADLO COC[C@H](CO)Nc1cc(N(C)C)[nH+]cn1 ZINC000893621094 583175134 /nfs/dbraw/zinc/17/51/34/583175134.db2.gz JVZKYEBNDYPICE-QMMMGPOBSA-N 1 2 226.280 -0.038 20 0 BBADLO COC[C@H](CO)Nc1cc(N(C)C)nc[nH+]1 ZINC000893621094 583175133 /nfs/dbraw/zinc/17/51/33/583175133.db2.gz JVZKYEBNDYPICE-QMMMGPOBSA-N 1 2 226.280 -0.038 20 0 BBADLO CN(C)c1cc(NC[C@](C)(O)CO)nc[nH+]1 ZINC000893624753 635303450 /nfs/dbraw/zinc/30/34/50/635303450.db2.gz NPSOGJJQTOSYKF-JTQLQIEISA-N 1 2 226.280 -0.302 20 0 BBADLO CN(C)c1cc(NC[C@](C)(O)CO)[nH+]cn1 ZINC000893624753 635303439 /nfs/dbraw/zinc/30/34/39/635303439.db2.gz NPSOGJJQTOSYKF-JTQLQIEISA-N 1 2 226.280 -0.302 20 0 BBADLO CN(C)c1cc(NC[C@@](C)(O)CO)nc[nH+]1 ZINC000893624754 635303593 /nfs/dbraw/zinc/30/35/93/635303593.db2.gz NPSOGJJQTOSYKF-SNVBAGLBSA-N 1 2 226.280 -0.302 20 0 BBADLO CN(C)c1cc(NC[C@@](C)(O)CO)[nH+]cn1 ZINC000893624754 635303585 /nfs/dbraw/zinc/30/35/85/635303585.db2.gz NPSOGJJQTOSYKF-SNVBAGLBSA-N 1 2 226.280 -0.302 20 0 BBADLO CN(C)c1cc(N(C)CCOCCO)[nH+]cn1 ZINC000893705404 583205386 /nfs/dbraw/zinc/20/53/86/583205386.db2.gz XZIGHWXKZNGVNX-UHFFFAOYSA-N 1 2 240.307 -0.012 20 0 BBADLO CN(C)c1cc(N(C)CCOCCO)nc[nH+]1 ZINC000893705404 583205384 /nfs/dbraw/zinc/20/53/84/583205384.db2.gz XZIGHWXKZNGVNX-UHFFFAOYSA-N 1 2 240.307 -0.012 20 0 BBADLO COC[C@H](O)CNc1cc(N(C)C)[nH+]cn1 ZINC000893724137 635626180 /nfs/dbraw/zinc/62/61/80/635626180.db2.gz TUTIPTPHWHLUGH-MRVPVSSYSA-N 1 2 226.280 -0.038 20 0 BBADLO COC[C@H](O)CNc1cc(N(C)C)nc[nH+]1 ZINC000893724137 635626177 /nfs/dbraw/zinc/62/61/77/635626177.db2.gz TUTIPTPHWHLUGH-MRVPVSSYSA-N 1 2 226.280 -0.038 20 0 BBADLO COC[C@@H](O)CNc1cc(N(C)C)[nH+]cn1 ZINC000893726113 635627217 /nfs/dbraw/zinc/62/72/17/635627217.db2.gz TUTIPTPHWHLUGH-QMMMGPOBSA-N 1 2 226.280 -0.038 20 0 BBADLO COC[C@@H](O)CNc1cc(N(C)C)nc[nH+]1 ZINC000893726113 635627214 /nfs/dbraw/zinc/62/72/14/635627214.db2.gz TUTIPTPHWHLUGH-QMMMGPOBSA-N 1 2 226.280 -0.038 20 0 BBADLO CN(C)c1cc(N(C)CCC(N)=O)[nH+]cn1 ZINC000893842880 583230608 /nfs/dbraw/zinc/23/06/08/583230608.db2.gz VLVQJZBFCLNDBD-UHFFFAOYSA-N 1 2 223.280 -0.146 20 0 BBADLO CN(C)c1cc(N(C)CCC(N)=O)nc[nH+]1 ZINC000893842880 583230607 /nfs/dbraw/zinc/23/06/07/583230607.db2.gz VLVQJZBFCLNDBD-UHFFFAOYSA-N 1 2 223.280 -0.146 20 0 BBADLO Cc1cc[nH+]c(N)c1CN1CCNC(=O)C1 ZINC000893886343 583241650 /nfs/dbraw/zinc/24/16/50/583241650.db2.gz LFEPRRCYEDQROF-UHFFFAOYSA-N 1 2 220.276 -0.096 20 0 BBADLO Cc1ncoc1C[NH+]1CCN(CC(N)=O)CC1 ZINC000893915002 583245834 /nfs/dbraw/zinc/24/58/34/583245834.db2.gz OZHAUSFRYNDSGS-UHFFFAOYSA-N 1 2 238.291 -0.414 20 0 BBADLO Cc1cc[nH+]c(N)c1CN(C)CC(N)=O ZINC000893922618 583248706 /nfs/dbraw/zinc/24/87/06/583248706.db2.gz AOMYTBFDACSRGO-UHFFFAOYSA-N 1 2 208.265 -0.111 20 0 BBADLO Cc1n[nH]c(C[N@H+]2CCO[C@H](C(N)=O)C2)c1C ZINC000893987868 583269756 /nfs/dbraw/zinc/26/97/56/583269756.db2.gz VYFVYCSYYPATRZ-JTQLQIEISA-N 1 2 238.291 -0.287 20 0 BBADLO Cc1n[nH]c(C[N@@H+]2CCO[C@H](C(N)=O)C2)c1C ZINC000893987868 583269755 /nfs/dbraw/zinc/26/97/55/583269755.db2.gz VYFVYCSYYPATRZ-JTQLQIEISA-N 1 2 238.291 -0.287 20 0 BBADLO Cc1n[nH]c(C[N@H+]2CCO[C@@H](C(N)=O)C2)c1C ZINC000893987873 583269688 /nfs/dbraw/zinc/26/96/88/583269688.db2.gz VYFVYCSYYPATRZ-SNVBAGLBSA-N 1 2 238.291 -0.287 20 0 BBADLO Cc1n[nH]c(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c1C ZINC000893987873 583269686 /nfs/dbraw/zinc/26/96/86/583269686.db2.gz VYFVYCSYYPATRZ-SNVBAGLBSA-N 1 2 238.291 -0.287 20 0 BBADLO C[C@@H]1CN(c2cc(N(C)C)nc[nH+]2)CC(=O)N1 ZINC000894071669 583296431 /nfs/dbraw/zinc/29/64/31/583296431.db2.gz KXICSNCCEBPGRX-MRVPVSSYSA-N 1 2 235.291 -0.133 20 0 BBADLO C[C@@H]1CN(c2cc(N(C)C)[nH+]cn2)CC(=O)N1 ZINC000894071669 583296430 /nfs/dbraw/zinc/29/64/30/583296430.db2.gz KXICSNCCEBPGRX-MRVPVSSYSA-N 1 2 235.291 -0.133 20 0 BBADLO C[C@H]1CN(c2cc(N(C)C)nc[nH+]2)CC(=O)N1 ZINC000894071683 583296418 /nfs/dbraw/zinc/29/64/18/583296418.db2.gz KXICSNCCEBPGRX-QMMMGPOBSA-N 1 2 235.291 -0.133 20 0 BBADLO C[C@H]1CN(c2cc(N(C)C)[nH+]cn2)CC(=O)N1 ZINC000894071683 583296417 /nfs/dbraw/zinc/29/64/17/583296417.db2.gz KXICSNCCEBPGRX-QMMMGPOBSA-N 1 2 235.291 -0.133 20 0 BBADLO CO[C@@H]1CN(c2nccn3c[nH+]cc23)C[C@H]1O ZINC000894091597 583299452 /nfs/dbraw/zinc/29/94/52/583299452.db2.gz UOEMKCDCQPLBCD-NXEZZACHSA-N 1 2 234.259 -0.075 20 0 BBADLO CO[C@@H]1CN(c2cc(N(C)C)nc[nH+]2)C[C@H]1O ZINC000894091675 583299514 /nfs/dbraw/zinc/29/95/14/583299514.db2.gz WPUKVFLFNMBUKZ-RKDXNWHRSA-N 1 2 238.291 -0.262 20 0 BBADLO CO[C@@H]1CN(c2cc(N(C)C)[nH+]cn2)C[C@H]1O ZINC000894091675 583299513 /nfs/dbraw/zinc/29/95/13/583299513.db2.gz WPUKVFLFNMBUKZ-RKDXNWHRSA-N 1 2 238.291 -0.262 20 0 BBADLO CN(C)c1cc(N[C@@H]2COC[C@H]2O)nc[nH+]1 ZINC000894098660 583303708 /nfs/dbraw/zinc/30/37/08/583303708.db2.gz JRKDNFPCDXYNSK-HTQZYQBOSA-N 1 2 224.264 -0.286 20 0 BBADLO CN(C)c1cc(N[C@@H]2COC[C@H]2O)[nH+]cn1 ZINC000894098660 583303705 /nfs/dbraw/zinc/30/37/05/583303705.db2.gz JRKDNFPCDXYNSK-HTQZYQBOSA-N 1 2 224.264 -0.286 20 0 BBADLO CN(C)c1cc(N2C[C@H](O)[C@@H](CO)C2)[nH+]cn1 ZINC000894158570 583320751 /nfs/dbraw/zinc/32/07/51/583320751.db2.gz HBYKHVLGZKCAIT-BDAKNGLRSA-N 1 2 238.291 -0.668 20 0 BBADLO CN(C)c1cc(N2C[C@H](O)[C@@H](CO)C2)nc[nH+]1 ZINC000894158570 583320748 /nfs/dbraw/zinc/32/07/48/583320748.db2.gz HBYKHVLGZKCAIT-BDAKNGLRSA-N 1 2 238.291 -0.668 20 0 BBADLO CN(C)c1cc(N2C[C@@H](O)[C@H](CO)C2)[nH+]cn1 ZINC000894158572 583320771 /nfs/dbraw/zinc/32/07/71/583320771.db2.gz HBYKHVLGZKCAIT-DTWKUNHWSA-N 1 2 238.291 -0.668 20 0 BBADLO CN(C)c1cc(N2C[C@@H](O)[C@H](CO)C2)nc[nH+]1 ZINC000894158572 583320768 /nfs/dbraw/zinc/32/07/68/583320768.db2.gz HBYKHVLGZKCAIT-DTWKUNHWSA-N 1 2 238.291 -0.668 20 0 BBADLO CN(C)c1cc(N2C[C@H](O)[C@H](CO)C2)[nH+]cn1 ZINC000894158573 583320987 /nfs/dbraw/zinc/32/09/87/583320987.db2.gz HBYKHVLGZKCAIT-IUCAKERBSA-N 1 2 238.291 -0.668 20 0 BBADLO CN(C)c1cc(N2C[C@H](O)[C@H](CO)C2)nc[nH+]1 ZINC000894158573 583320986 /nfs/dbraw/zinc/32/09/86/583320986.db2.gz HBYKHVLGZKCAIT-IUCAKERBSA-N 1 2 238.291 -0.668 20 0 BBADLO CN(C)c1cc(N2C[C@H](CO)[C@H](O)C2)[nH+]cn1 ZINC000894158574 583321196 /nfs/dbraw/zinc/32/11/96/583321196.db2.gz HBYKHVLGZKCAIT-RKDXNWHRSA-N 1 2 238.291 -0.668 20 0 BBADLO CN(C)c1cc(N2C[C@H](CO)[C@H](O)C2)nc[nH+]1 ZINC000894158574 583321192 /nfs/dbraw/zinc/32/11/92/583321192.db2.gz HBYKHVLGZKCAIT-RKDXNWHRSA-N 1 2 238.291 -0.668 20 0 BBADLO OC[C@H]1CN(c2nccn3c[nH+]cc23)C[C@H]1O ZINC000894162482 583321608 /nfs/dbraw/zinc/32/16/08/583321608.db2.gz VAUGYWWNPJLKOB-PSASIEDQSA-N 1 2 234.259 -0.481 20 0 BBADLO OC[C@H]1CN(c2nccn3c[nH+]cc23)C[C@@H]1O ZINC000894162483 583322216 /nfs/dbraw/zinc/32/22/16/583322216.db2.gz VAUGYWWNPJLKOB-SCZZXKLOSA-N 1 2 234.259 -0.481 20 0 BBADLO OC[C@@H]1CN(c2nccn3c[nH+]cc23)C[C@H]1O ZINC000894162484 583321562 /nfs/dbraw/zinc/32/15/62/583321562.db2.gz VAUGYWWNPJLKOB-WCBMZHEXSA-N 1 2 234.259 -0.481 20 0 BBADLO OC[C@@H]1CN(c2nccn3c[nH+]cc23)C[C@@H]1O ZINC000894162485 583321610 /nfs/dbraw/zinc/32/16/10/583321610.db2.gz VAUGYWWNPJLKOB-WPRPVWTQSA-N 1 2 234.259 -0.481 20 0 BBADLO CNc1cc(N[C@H](CO)[C@@H](C)O)[nH+]cn1 ZINC000894169009 583325212 /nfs/dbraw/zinc/32/52/12/583325212.db2.gz CIJCMVSEQGSNEM-RNFRBKRXSA-N 1 2 212.253 -0.328 20 0 BBADLO CNc1cc(N[C@H](CO)[C@@H](C)O)nc[nH+]1 ZINC000894169009 583325210 /nfs/dbraw/zinc/32/52/10/583325210.db2.gz CIJCMVSEQGSNEM-RNFRBKRXSA-N 1 2 212.253 -0.328 20 0 BBADLO C[C@@H](O)[C@@H](CO)Nc1cc(N(C)C)[nH+]cn1 ZINC000894170187 583325852 /nfs/dbraw/zinc/32/58/52/583325852.db2.gz YCHXOLGSVVNVNN-HTQZYQBOSA-N 1 2 226.280 -0.304 20 0 BBADLO C[C@@H](O)[C@@H](CO)Nc1cc(N(C)C)nc[nH+]1 ZINC000894170187 583325851 /nfs/dbraw/zinc/32/58/51/583325851.db2.gz YCHXOLGSVVNVNN-HTQZYQBOSA-N 1 2 226.280 -0.304 20 0 BBADLO CON(C)C(=O)CNc1cc(N(C)C)[nH+]cn1 ZINC000894247228 583390351 /nfs/dbraw/zinc/39/03/51/583390351.db2.gz VODAWWSZZFKKJB-UHFFFAOYSA-N 1 2 239.279 -0.026 20 0 BBADLO CON(C)C(=O)CNc1cc(N(C)C)nc[nH+]1 ZINC000894247228 583390348 /nfs/dbraw/zinc/39/03/48/583390348.db2.gz VODAWWSZZFKKJB-UHFFFAOYSA-N 1 2 239.279 -0.026 20 0 BBADLO CCn1cc(C[NH2+][C@H](C)C(=O)NCCF)nn1 ZINC000894257963 583395963 /nfs/dbraw/zinc/39/59/63/583395963.db2.gz ZUZXRYPKKFFVDK-MRVPVSSYSA-N 1 2 243.286 -0.138 20 0 BBADLO CCn1cc(C[NH2+][C@@H](C)C(=O)NCCF)nn1 ZINC000894257964 583395811 /nfs/dbraw/zinc/39/58/11/583395811.db2.gz ZUZXRYPKKFFVDK-QMMMGPOBSA-N 1 2 243.286 -0.138 20 0 BBADLO C[C@@H](NC(=O)CO)[C@H](C)[NH+]1CCOCC1 ZINC000894333856 583426197 /nfs/dbraw/zinc/42/61/97/583426197.db2.gz UZAKRMPOBVIBPR-BDAKNGLRSA-N 1 2 216.281 -0.796 20 0 BBADLO C[C@H]([C@H](C)NC(=O)CO)[NH+]1CCOCC1 ZINC000894333857 583425697 /nfs/dbraw/zinc/42/56/97/583425697.db2.gz UZAKRMPOBVIBPR-DTWKUNHWSA-N 1 2 216.281 -0.796 20 0 BBADLO C[C@H](NC(=O)CO)[C@H](C)[NH+]1CCOCC1 ZINC000894333859 583426075 /nfs/dbraw/zinc/42/60/75/583426075.db2.gz UZAKRMPOBVIBPR-IUCAKERBSA-N 1 2 216.281 -0.796 20 0 BBADLO C[C@@H](NC(=O)CO)[C@@H](C)[NH+]1CCOCC1 ZINC000894333860 583425717 /nfs/dbraw/zinc/42/57/17/583425717.db2.gz UZAKRMPOBVIBPR-RKDXNWHRSA-N 1 2 216.281 -0.796 20 0 BBADLO CNc1cc(N2CC(C)(C(N)=O)C2)[nH+]cn1 ZINC000894342063 583428694 /nfs/dbraw/zinc/42/86/94/583428694.db2.gz IGFRJXAXPQOFSX-UHFFFAOYSA-N 1 2 221.264 -0.170 20 0 BBADLO CNc1cc(N2CC(C)(C(N)=O)C2)nc[nH+]1 ZINC000894342063 583428692 /nfs/dbraw/zinc/42/86/92/583428692.db2.gz IGFRJXAXPQOFSX-UHFFFAOYSA-N 1 2 221.264 -0.170 20 0 BBADLO CN(C)c1cc(N2CC(C)(C(N)=O)C2)[nH+]cn1 ZINC000894343146 583429295 /nfs/dbraw/zinc/42/92/95/583429295.db2.gz POXAMCVHVGQZNL-UHFFFAOYSA-N 1 2 235.291 -0.146 20 0 BBADLO CN(C)c1cc(N2CC(C)(C(N)=O)C2)nc[nH+]1 ZINC000894343146 583429291 /nfs/dbraw/zinc/42/92/91/583429291.db2.gz POXAMCVHVGQZNL-UHFFFAOYSA-N 1 2 235.291 -0.146 20 0 BBADLO CCONC(=O)CNc1cc[nH+]cc1CO ZINC000894397582 583448452 /nfs/dbraw/zinc/44/84/52/583448452.db2.gz GFNYCSRWPAKDQP-UHFFFAOYSA-N 1 2 225.248 -0.525 20 0 BBADLO O=C(NCC[NH2+]Cc1c[nH]cn1)c1ccn[nH]1 ZINC000894430446 583457436 /nfs/dbraw/zinc/45/74/36/583457436.db2.gz FWMJHAVUAQNMDO-UHFFFAOYSA-N 1 2 234.263 -0.348 20 0 BBADLO CC(=O)OC[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC000894439815 583460415 /nfs/dbraw/zinc/46/04/15/583460415.db2.gz NOCCEGRGPZGGSO-SSDOTTSWSA-N 1 2 212.253 -0.144 20 0 BBADLO CC(=O)OC[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC000894439816 583459793 /nfs/dbraw/zinc/45/97/93/583459793.db2.gz NOCCEGRGPZGGSO-ZETCQYMHSA-N 1 2 212.253 -0.144 20 0 BBADLO COCCONC(=O)NCc1cn(C)c[nH+]1 ZINC000894511364 583475726 /nfs/dbraw/zinc/47/57/26/583475726.db2.gz KTUWNKNPHGWUOV-UHFFFAOYSA-N 1 2 228.252 -0.203 20 0 BBADLO COC(=O)N1CC(C)([NH2+]Cc2cn(C)nn2)C1 ZINC000894542127 583480912 /nfs/dbraw/zinc/48/09/12/583480912.db2.gz FVJGCIGIXKBFSY-UHFFFAOYSA-N 1 2 239.279 -0.255 20 0 BBADLO COC(=O)N1CC(C)([NH2+]Cc2ncnn2C)C1 ZINC000894542136 583481195 /nfs/dbraw/zinc/48/11/95/583481195.db2.gz GGMYZBXAFULPMW-UHFFFAOYSA-N 1 2 239.279 -0.255 20 0 BBADLO COC(=O)N1CC(C)([NH2+]Cc2cnn(C)n2)C1 ZINC000894543191 583482101 /nfs/dbraw/zinc/48/21/01/583482101.db2.gz VXZMZWZBXKMZIK-UHFFFAOYSA-N 1 2 239.279 -0.255 20 0 BBADLO Cn1c[nH+]c(CNC(=O)N[C@H]2[C@@H]3COC[C@@H]32)c1 ZINC000894543842 583481716 /nfs/dbraw/zinc/48/17/16/583481716.db2.gz FPDCGNIANQLMML-MYJAWHEDSA-N 1 2 236.275 -0.136 20 0 BBADLO COC(=O)c1cnc(C[NH2+][C@H](C)C(N)=O)s1 ZINC000894576440 583487477 /nfs/dbraw/zinc/48/74/77/583487477.db2.gz TUGDCEJRCNRIMW-RXMQYKEDSA-N 1 2 243.288 -0.107 20 0 BBADLO Cc1ncoc1C[NH+]1CCN(C(=O)CO)CC1 ZINC000894685689 583506865 /nfs/dbraw/zinc/50/68/65/583506865.db2.gz JQNYYBDGRNFXII-UHFFFAOYSA-N 1 2 239.275 -0.380 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNc1cnc(CO)cn1 ZINC000894760346 583515914 /nfs/dbraw/zinc/51/59/14/583515914.db2.gz IXSYQAIWCAIZJE-JTQLQIEISA-N 1 2 238.291 -0.289 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNc1cnc(CO)cn1 ZINC000894760346 583515913 /nfs/dbraw/zinc/51/59/13/583515913.db2.gz IXSYQAIWCAIZJE-JTQLQIEISA-N 1 2 238.291 -0.289 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNc1cnc(CO)cn1 ZINC000894760347 583515841 /nfs/dbraw/zinc/51/58/41/583515841.db2.gz IXSYQAIWCAIZJE-SNVBAGLBSA-N 1 2 238.291 -0.289 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNc1cnc(CO)cn1 ZINC000894760347 583515840 /nfs/dbraw/zinc/51/58/40/583515840.db2.gz IXSYQAIWCAIZJE-SNVBAGLBSA-N 1 2 238.291 -0.289 20 0 BBADLO Cc1c[nH]c(CNc2cc(=O)n(C)c(=O)n2C)[nH+]1 ZINC000894790019 583519533 /nfs/dbraw/zinc/51/95/33/583519533.db2.gz LEXNZEHRRNWWLD-UHFFFAOYSA-N 1 2 249.274 -0.272 20 0 BBADLO COCC1(O)C[NH+](Cc2cc[nH]c(=O)c2)C1 ZINC000894838595 583529384 /nfs/dbraw/zinc/52/93/84/583529384.db2.gz DSEDAZNRPODWNV-UHFFFAOYSA-N 1 2 224.260 -0.020 20 0 BBADLO COCC1(O)C[NH+](C[C@H]2COC(C)(C)O2)C1 ZINC000894838923 583529326 /nfs/dbraw/zinc/52/93/26/583529326.db2.gz FTDCPOFNYNABMR-VIFPVBQESA-N 1 2 231.292 -0.169 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2cn(CC(N)=O)nn2)[C@@H]1C ZINC000894861736 583535284 /nfs/dbraw/zinc/53/52/84/583535284.db2.gz OIRXPWLEOXBVHR-HTQZYQBOSA-N 1 2 223.280 -0.396 20 0 BBADLO C[C@@H]1C[N@H+](Cc2cn(CC(N)=O)nn2)[C@@H]1C ZINC000894861736 583535283 /nfs/dbraw/zinc/53/52/83/583535283.db2.gz OIRXPWLEOXBVHR-HTQZYQBOSA-N 1 2 223.280 -0.396 20 0 BBADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cn(CC(N)=O)nn1 ZINC000894861737 583534904 /nfs/dbraw/zinc/53/49/04/583534904.db2.gz OIRXPWLEOXBVHR-JGVFFNPUSA-N 1 2 223.280 -0.396 20 0 BBADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cn(CC(N)=O)nn1 ZINC000894861737 583534903 /nfs/dbraw/zinc/53/49/03/583534903.db2.gz OIRXPWLEOXBVHR-JGVFFNPUSA-N 1 2 223.280 -0.396 20 0 BBADLO C[C@@H]1C[N@@H+](Cc2cn(CC(N)=O)nn2)[C@H]1C ZINC000894861738 583535069 /nfs/dbraw/zinc/53/50/69/583535069.db2.gz OIRXPWLEOXBVHR-SFYZADRCSA-N 1 2 223.280 -0.396 20 0 BBADLO C[C@@H]1C[N@H+](Cc2cn(CC(N)=O)nn2)[C@H]1C ZINC000894861738 583535066 /nfs/dbraw/zinc/53/50/66/583535066.db2.gz OIRXPWLEOXBVHR-SFYZADRCSA-N 1 2 223.280 -0.396 20 0 BBADLO C[C@H]1C[N@@H+](Cc2cn(CC(N)=O)nn2)[C@H]1C ZINC000894861739 583535078 /nfs/dbraw/zinc/53/50/78/583535078.db2.gz OIRXPWLEOXBVHR-YUMQZZPRSA-N 1 2 223.280 -0.396 20 0 BBADLO C[C@H]1C[N@H+](Cc2cn(CC(N)=O)nn2)[C@H]1C ZINC000894861739 583535076 /nfs/dbraw/zinc/53/50/76/583535076.db2.gz OIRXPWLEOXBVHR-YUMQZZPRSA-N 1 2 223.280 -0.396 20 0 BBADLO CN(C)c1cc(N[C@@H]2COC[C@@H]2O)nc[nH+]1 ZINC000894867141 583538186 /nfs/dbraw/zinc/53/81/86/583538186.db2.gz JRKDNFPCDXYNSK-SFYZADRCSA-N 1 2 224.264 -0.286 20 0 BBADLO CN(C)c1cc(N[C@@H]2COC[C@@H]2O)[nH+]cn1 ZINC000894867141 583538184 /nfs/dbraw/zinc/53/81/84/583538184.db2.gz JRKDNFPCDXYNSK-SFYZADRCSA-N 1 2 224.264 -0.286 20 0 BBADLO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1c[nH]cn1 ZINC000894881258 583543510 /nfs/dbraw/zinc/54/35/10/583543510.db2.gz UUULYDVDYPOTHK-MRVPVSSYSA-N 1 2 246.336 -0.173 20 0 BBADLO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1c[nH]cn1 ZINC000894881259 583543614 /nfs/dbraw/zinc/54/36/14/583543614.db2.gz UUULYDVDYPOTHK-QMMMGPOBSA-N 1 2 246.336 -0.173 20 0 BBADLO CC(C)(C)n1nnc(C[NH2+]C[C@@H]2COCO2)n1 ZINC000894884526 583546225 /nfs/dbraw/zinc/54/62/25/583546225.db2.gz HJJHWNHBCHYXFS-MRVPVSSYSA-N 1 2 241.295 -0.109 20 0 BBADLO CC(C)(C)n1nnc(C[NH2+]C[C@H]2COCO2)n1 ZINC000894884527 583546398 /nfs/dbraw/zinc/54/63/98/583546398.db2.gz HJJHWNHBCHYXFS-QMMMGPOBSA-N 1 2 241.295 -0.109 20 0 BBADLO Cc1[nH]nc(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1C ZINC000894904084 583553023 /nfs/dbraw/zinc/55/30/23/583553023.db2.gz YMXFHSROAZHQEY-DTORHVGOSA-N 1 2 248.286 -0.269 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)N1CCOCCN1 ZINC000894916714 583555486 /nfs/dbraw/zinc/55/54/86/583555486.db2.gz WJFPPPIJCZDMLF-UHFFFAOYSA-N 1 2 239.279 -0.534 20 0 BBADLO O=C1CC2(CN(c3nccs3)C2)[NH2+]CCN1 ZINC000894950225 583559064 /nfs/dbraw/zinc/55/90/64/583559064.db2.gz YHFOYORVOOVYPK-UHFFFAOYSA-N 1 2 238.316 -0.189 20 0 BBADLO CS(=O)(=O)C1CN(Cc2c[nH]c[nH+]2)C1 ZINC000894963648 583559842 /nfs/dbraw/zinc/55/98/42/583559842.db2.gz RZCSCZJCTZSXTJ-UHFFFAOYSA-N 1 2 215.278 -0.362 20 0 BBADLO CS(=O)(=O)C1CN(Cc2c[nH+]c[nH]2)C1 ZINC000894963648 583559840 /nfs/dbraw/zinc/55/98/40/583559840.db2.gz RZCSCZJCTZSXTJ-UHFFFAOYSA-N 1 2 215.278 -0.362 20 0 BBADLO CCn1c[nH+]cc1CN[C@](C)(CO)C(=O)OC ZINC000894971779 583561017 /nfs/dbraw/zinc/56/10/17/583561017.db2.gz HJWKHWCRXCBMRB-LLVKDONJSA-N 1 2 241.291 -0.083 20 0 BBADLO CCn1c[nH+]cc1CN[C@@](C)(CO)C(=O)OC ZINC000894971780 583561365 /nfs/dbraw/zinc/56/13/65/583561365.db2.gz HJWKHWCRXCBMRB-NSHDSACASA-N 1 2 241.291 -0.083 20 0 BBADLO COC[C@H](C)C[NH2+][C@](C)(CO)C(=O)OC ZINC000894972250 583561286 /nfs/dbraw/zinc/56/12/86/583561286.db2.gz OHJLAQPNGLLJLM-PSASIEDQSA-N 1 2 219.281 -0.218 20 0 BBADLO COC[C@H](C)C[NH2+][C@@](C)(CO)C(=O)OC ZINC000894972251 583561004 /nfs/dbraw/zinc/56/10/04/583561004.db2.gz OHJLAQPNGLLJLM-SCZZXKLOSA-N 1 2 219.281 -0.218 20 0 BBADLO COC[C@@H](C)C[NH2+][C@](C)(CO)C(=O)OC ZINC000894972252 583561049 /nfs/dbraw/zinc/56/10/49/583561049.db2.gz OHJLAQPNGLLJLM-WCBMZHEXSA-N 1 2 219.281 -0.218 20 0 BBADLO COC[C@@H](C)C[NH2+][C@@](C)(CO)C(=O)OC ZINC000894972253 583561316 /nfs/dbraw/zinc/56/13/16/583561316.db2.gz OHJLAQPNGLLJLM-WPRPVWTQSA-N 1 2 219.281 -0.218 20 0 BBADLO COC(=O)[C@](C)(CO)NCc1[nH]cc(C)[nH+]1 ZINC000894972929 583562636 /nfs/dbraw/zinc/56/26/36/583562636.db2.gz VZNUNDGZNMRAHT-JTQLQIEISA-N 1 2 227.264 -0.268 20 0 BBADLO COC(=O)[C@@](C)(CO)NCc1[nH]cc(C)[nH+]1 ZINC000894972930 583562272 /nfs/dbraw/zinc/56/22/72/583562272.db2.gz VZNUNDGZNMRAHT-SNVBAGLBSA-N 1 2 227.264 -0.268 20 0 BBADLO CN(C)C(=O)COC1CN(Cc2c[nH]c[nH+]2)C1 ZINC000894975490 583562235 /nfs/dbraw/zinc/56/22/35/583562235.db2.gz AOKDCKBRIROZBJ-UHFFFAOYSA-N 1 2 238.291 -0.301 20 0 BBADLO CN(C)C(=O)COC1CN(Cc2c[nH+]c[nH]2)C1 ZINC000894975490 583562234 /nfs/dbraw/zinc/56/22/34/583562234.db2.gz AOKDCKBRIROZBJ-UHFFFAOYSA-N 1 2 238.291 -0.301 20 0 BBADLO COCCNC(=O)C1([NH2+]Cc2cnc[nH]2)CC1 ZINC000894985005 583564522 /nfs/dbraw/zinc/56/45/22/583564522.db2.gz MTGMTODKYJJGRX-UHFFFAOYSA-N 1 2 238.291 -0.206 20 0 BBADLO C[C@@H](O)[C@H](O)CNc1cc(N(C)C)[nH+]cn1 ZINC000894988500 583565073 /nfs/dbraw/zinc/56/50/73/583565073.db2.gz GDUHOBSJLNWBDE-HTQZYQBOSA-N 1 2 226.280 -0.304 20 0 BBADLO C[C@@H](O)[C@H](O)CNc1cc(N(C)C)nc[nH+]1 ZINC000894988500 583565071 /nfs/dbraw/zinc/56/50/71/583565071.db2.gz GDUHOBSJLNWBDE-HTQZYQBOSA-N 1 2 226.280 -0.304 20 0 BBADLO C[C@H](O)[C@H](O)CNc1cc(N(C)C)[nH+]cn1 ZINC000894988501 583565213 /nfs/dbraw/zinc/56/52/13/583565213.db2.gz GDUHOBSJLNWBDE-JGVFFNPUSA-N 1 2 226.280 -0.304 20 0 BBADLO C[C@H](O)[C@H](O)CNc1cc(N(C)C)nc[nH+]1 ZINC000894988501 583565212 /nfs/dbraw/zinc/56/52/12/583565212.db2.gz GDUHOBSJLNWBDE-JGVFFNPUSA-N 1 2 226.280 -0.304 20 0 BBADLO C[C@@H](O)[C@@H](O)CNc1cc(N(C)C)[nH+]cn1 ZINC000894988502 583565013 /nfs/dbraw/zinc/56/50/13/583565013.db2.gz GDUHOBSJLNWBDE-SFYZADRCSA-N 1 2 226.280 -0.304 20 0 BBADLO C[C@@H](O)[C@@H](O)CNc1cc(N(C)C)nc[nH+]1 ZINC000894988502 583565012 /nfs/dbraw/zinc/56/50/12/583565012.db2.gz GDUHOBSJLNWBDE-SFYZADRCSA-N 1 2 226.280 -0.304 20 0 BBADLO C[C@H](O)[C@@H](O)CNc1cc(N(C)C)[nH+]cn1 ZINC000894988503 583565334 /nfs/dbraw/zinc/56/53/34/583565334.db2.gz GDUHOBSJLNWBDE-YUMQZZPRSA-N 1 2 226.280 -0.304 20 0 BBADLO C[C@H](O)[C@@H](O)CNc1cc(N(C)C)nc[nH+]1 ZINC000894988503 583565332 /nfs/dbraw/zinc/56/53/32/583565332.db2.gz GDUHOBSJLNWBDE-YUMQZZPRSA-N 1 2 226.280 -0.304 20 0 BBADLO CNc1cc(N2CC[C@@H](O)[C@@H](O)C2)[nH+]cn1 ZINC000895030149 711774486 /nfs/dbraw/zinc/77/44/86/711774486.db2.gz FCEUMBZTCCWVSW-SFYZADRCSA-N 1 2 224.264 -0.550 20 0 BBADLO CNc1cc(N2CC[C@@H](O)[C@@H](O)C2)nc[nH+]1 ZINC000895030149 711774485 /nfs/dbraw/zinc/77/44/85/711774485.db2.gz FCEUMBZTCCWVSW-SFYZADRCSA-N 1 2 224.264 -0.550 20 0 BBADLO O[C@@H]1CCN(c2nccn3c[nH+]cc23)C[C@@H]1O ZINC000895031712 583571082 /nfs/dbraw/zinc/57/10/82/583571082.db2.gz NMDFPEVQVUTZMI-ZJUUUORDSA-N 1 2 234.259 -0.339 20 0 BBADLO COC(=O)C1(O)CN(c2nccn3c[nH+]cc23)C1 ZINC000895037541 583570565 /nfs/dbraw/zinc/57/05/65/583570565.db2.gz KWZMTXFCFPRJDA-UHFFFAOYSA-N 1 2 248.242 -0.547 20 0 BBADLO COC(=O)[C@@H](F)CNC(=O)CCn1cc[nH+]c1 ZINC000895037743 583570475 /nfs/dbraw/zinc/57/04/75/583570475.db2.gz IIRWSIUNAXJKFZ-QMMMGPOBSA-N 1 2 243.238 -0.100 20 0 BBADLO CCn1ncc(C[NH2+]CC(=O)N(C)OC)n1 ZINC000895045457 583571589 /nfs/dbraw/zinc/57/15/89/583571589.db2.gz KQDBPTCIUICBDX-UHFFFAOYSA-N 1 2 227.268 -0.593 20 0 BBADLO CON(C)C(=O)C[NH2+]Cc1cc2n(n1)CCC2 ZINC000895045647 583571845 /nfs/dbraw/zinc/57/18/45/583571845.db2.gz QLRKSOPONBLZIX-UHFFFAOYSA-N 1 2 238.291 -0.061 20 0 BBADLO CCn1nc(C)c(C[NH2+]CC(=O)N(C)OC)n1 ZINC000895046165 583572131 /nfs/dbraw/zinc/57/21/31/583572131.db2.gz DLHSHZKHVVQGQR-UHFFFAOYSA-N 1 2 241.295 -0.284 20 0 BBADLO COc1nccnc1C[NH2+]CC(=O)N(C)OC ZINC000895046168 583572308 /nfs/dbraw/zinc/57/23/08/583572308.db2.gz DNKBAXWCAJVEHC-UHFFFAOYSA-N 1 2 240.263 -0.405 20 0 BBADLO CON(C)C(=O)C[NH2+]Cc1n[nH]cc1C ZINC000895046176 583572323 /nfs/dbraw/zinc/57/23/23/583572323.db2.gz FDTKFSCRCOOXBI-UHFFFAOYSA-N 1 2 212.253 -0.172 20 0 BBADLO CON(C)C(=O)C[NH2+]Cc1[nH]ncc1C ZINC000895046176 583572321 /nfs/dbraw/zinc/57/23/21/583572321.db2.gz FDTKFSCRCOOXBI-UHFFFAOYSA-N 1 2 212.253 -0.172 20 0 BBADLO CON(C)C(=O)C[NH2+]Cc1cn2cccnc2n1 ZINC000895046822 583571028 /nfs/dbraw/zinc/57/10/28/583571028.db2.gz WPYOPUXNWOQDGY-UHFFFAOYSA-N 1 2 249.274 -0.161 20 0 BBADLO CCN(OC)C(=O)C[NH2+]Cc1cnc[nH]1 ZINC000895087808 583585192 /nfs/dbraw/zinc/58/51/92/583585192.db2.gz XUECSJVVFHCFSQ-UHFFFAOYSA-N 1 2 212.253 -0.091 20 0 BBADLO CCN(OC)C(=O)C[NH2+]Cc1cn(CC)nn1 ZINC000895114774 583591848 /nfs/dbraw/zinc/59/18/48/583591848.db2.gz IQOWAFVXWZJUHU-UHFFFAOYSA-N 1 2 241.295 -0.203 20 0 BBADLO CCON(C)C(=O)C[NH2+]Cc1cnc[nH]1 ZINC000895142223 583603243 /nfs/dbraw/zinc/60/32/43/583603243.db2.gz KSXYDFGMDKWXGH-UHFFFAOYSA-N 1 2 212.253 -0.091 20 0 BBADLO CCONC(=O)C[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC000895148500 583605245 /nfs/dbraw/zinc/60/52/45/583605245.db2.gz JKEBGNJTIOVMKI-BDAKNGLRSA-N 1 2 244.291 -0.015 20 0 BBADLO CCONC(=O)C[NH2+][C@@H]1CC[C@H](C(=O)OC)C1 ZINC000895148502 583605313 /nfs/dbraw/zinc/60/53/13/583605313.db2.gz JKEBGNJTIOVMKI-DTWKUNHWSA-N 1 2 244.291 -0.015 20 0 BBADLO CCONC(=O)C[NH2+][C@H]1CC[C@H](C(=O)OC)C1 ZINC000895148504 583605306 /nfs/dbraw/zinc/60/53/06/583605306.db2.gz JKEBGNJTIOVMKI-IUCAKERBSA-N 1 2 244.291 -0.015 20 0 BBADLO CCONC(=O)C[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC000895148506 583605201 /nfs/dbraw/zinc/60/52/01/583605201.db2.gz JKEBGNJTIOVMKI-RKDXNWHRSA-N 1 2 244.291 -0.015 20 0 BBADLO Nc1nc(C2CC2)[nH+]c(N2C[C@@H]3C[C@]3(O)C2)n1 ZINC000895154277 583607259 /nfs/dbraw/zinc/60/72/59/583607259.db2.gz WFAUCACRHTUCEC-CPCISQLKSA-N 1 2 233.275 -0.098 20 0 BBADLO Nc1nc(N2C[C@@H]3C[C@]3(O)C2)nc(C2CC2)[nH+]1 ZINC000895154277 583607257 /nfs/dbraw/zinc/60/72/57/583607257.db2.gz WFAUCACRHTUCEC-CPCISQLKSA-N 1 2 233.275 -0.098 20 0 BBADLO Nc1nc(C2CC2)[nH+]c(N2C[C@H]3C[C@@]3(O)C2)n1 ZINC000895154280 583607242 /nfs/dbraw/zinc/60/72/42/583607242.db2.gz WFAUCACRHTUCEC-RDDDGLTNSA-N 1 2 233.275 -0.098 20 0 BBADLO Nc1nc(N2C[C@H]3C[C@@]3(O)C2)nc(C2CC2)[nH+]1 ZINC000895154280 583607240 /nfs/dbraw/zinc/60/72/40/583607240.db2.gz WFAUCACRHTUCEC-RDDDGLTNSA-N 1 2 233.275 -0.098 20 0 BBADLO CCON(C)C(=O)C[NH2+]Cc1cn(CC)nn1 ZINC000895164864 583611372 /nfs/dbraw/zinc/61/13/72/583611372.db2.gz FOALKZKCNLPMNA-UHFFFAOYSA-N 1 2 241.295 -0.203 20 0 BBADLO CN(C)c1cc(N[C@H]2C[C@@H](O)[C@@H](O)C2)nc[nH+]1 ZINC000895199437 583624190 /nfs/dbraw/zinc/62/41/90/583624190.db2.gz JVPHOLIXEVSVOQ-AYMMMOKOSA-N 1 2 238.291 -0.161 20 0 BBADLO CN(C)c1cc(N[C@H]2C[C@@H](O)[C@@H](O)C2)[nH+]cn1 ZINC000895199437 583624189 /nfs/dbraw/zinc/62/41/89/583624189.db2.gz JVPHOLIXEVSVOQ-AYMMMOKOSA-N 1 2 238.291 -0.161 20 0 BBADLO CN(C)c1cc(N[C@@H]2C[C@@H](O)[C@@H](O)C2)nc[nH+]1 ZINC000895199438 583624382 /nfs/dbraw/zinc/62/43/82/583624382.db2.gz JVPHOLIXEVSVOQ-PSVAKVPMSA-N 1 2 238.291 -0.161 20 0 BBADLO CN(C)c1cc(N[C@@H]2C[C@@H](O)[C@@H](O)C2)[nH+]cn1 ZINC000895199438 583624380 /nfs/dbraw/zinc/62/43/80/583624380.db2.gz JVPHOLIXEVSVOQ-PSVAKVPMSA-N 1 2 238.291 -0.161 20 0 BBADLO CNc1cc(N[C@H]2C[C@@H](O)[C@@H](O)C2)[nH+]cn1 ZINC000895199690 583624051 /nfs/dbraw/zinc/62/40/51/583624051.db2.gz LIJHQFGHDYOTLF-RNLVFQAGSA-N 1 2 224.264 -0.186 20 0 BBADLO CNc1cc(N[C@@H]2C[C@@H](O)[C@@H](O)C2)[nH+]cn1 ZINC000895199691 583624249 /nfs/dbraw/zinc/62/42/49/583624249.db2.gz LIJHQFGHDYOTLF-WHUPJOBBSA-N 1 2 224.264 -0.186 20 0 BBADLO CN(C)c1cc(N(C)[C@@H]2COC[C@H]2O)[nH+]cn1 ZINC000895202394 711779957 /nfs/dbraw/zinc/77/99/57/711779957.db2.gz NLVLOPUTGYMTQK-RKDXNWHRSA-N 1 2 238.291 -0.262 20 0 BBADLO CN(C)c1cc(N(C)[C@@H]2COC[C@H]2O)nc[nH+]1 ZINC000895202394 711779956 /nfs/dbraw/zinc/77/99/56/711779956.db2.gz NLVLOPUTGYMTQK-RKDXNWHRSA-N 1 2 238.291 -0.262 20 0 BBADLO CN(c1nccn2c[nH+]cc12)[C@@H]1COC[C@H]1O ZINC000895206986 583625610 /nfs/dbraw/zinc/62/56/10/583625610.db2.gz YYHRGDHYZJVKTG-NXEZZACHSA-N 1 2 234.259 -0.075 20 0 BBADLO CCn1ncc(C[NH2+][C@@H]2C(=O)NCC2(C)C)n1 ZINC000895320649 583649453 /nfs/dbraw/zinc/64/94/53/583649453.db2.gz HXUJQYFEMDKXIV-SECBINFHSA-N 1 2 237.307 -0.088 20 0 BBADLO CCn1ncc(C[NH2+][C@H]2C(=O)NCC2(C)C)n1 ZINC000895320651 583649229 /nfs/dbraw/zinc/64/92/29/583649229.db2.gz HXUJQYFEMDKXIV-VIFPVBQESA-N 1 2 237.307 -0.088 20 0 BBADLO CCn1ncnc1C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000895320741 583649299 /nfs/dbraw/zinc/64/92/99/583649299.db2.gz JGJZTHYYMNGNPJ-SECBINFHSA-N 1 2 237.307 -0.088 20 0 BBADLO CCn1ncnc1C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000895320743 583649544 /nfs/dbraw/zinc/64/95/44/583649544.db2.gz JGJZTHYYMNGNPJ-VIFPVBQESA-N 1 2 237.307 -0.088 20 0 BBADLO Cn1ncc(C[NH2+][C@@H]2C(=O)NCC2(C)C)n1 ZINC000895324979 583651008 /nfs/dbraw/zinc/65/10/08/583651008.db2.gz SBDNMFBUXXWHTQ-MRVPVSSYSA-N 1 2 223.280 -0.571 20 0 BBADLO Cn1ncc(C[NH2+][C@H]2C(=O)NCC2(C)C)n1 ZINC000895324981 583650999 /nfs/dbraw/zinc/65/09/99/583650999.db2.gz SBDNMFBUXXWHTQ-QMMMGPOBSA-N 1 2 223.280 -0.571 20 0 BBADLO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccoc1 ZINC000895367330 583661199 /nfs/dbraw/zinc/66/11/99/583661199.db2.gz BXAIJZDYRQFUTI-BDAKNGLRSA-N 1 2 210.233 -0.300 20 0 BBADLO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccoc1 ZINC000895367330 583661198 /nfs/dbraw/zinc/66/11/98/583661198.db2.gz BXAIJZDYRQFUTI-BDAKNGLRSA-N 1 2 210.233 -0.300 20 0 BBADLO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccco1 ZINC000895367573 583661094 /nfs/dbraw/zinc/66/10/94/583661094.db2.gz IDTCVWMBNSJJNJ-APPZFPTMSA-N 1 2 210.233 -0.300 20 0 BBADLO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccco1 ZINC000895367573 583661093 /nfs/dbraw/zinc/66/10/93/583661093.db2.gz IDTCVWMBNSJJNJ-APPZFPTMSA-N 1 2 210.233 -0.300 20 0 BBADLO Cc1cc(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)sn1 ZINC000895368503 583660941 /nfs/dbraw/zinc/66/09/41/583660941.db2.gz QKADYENONAQIJX-APPZFPTMSA-N 1 2 241.316 -0.128 20 0 BBADLO Cc1cc(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)sn1 ZINC000895368503 583660939 /nfs/dbraw/zinc/66/09/39/583660939.db2.gz QKADYENONAQIJX-APPZFPTMSA-N 1 2 241.316 -0.128 20 0 BBADLO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccc(O)c1 ZINC000895369177 583660712 /nfs/dbraw/zinc/66/07/12/583660712.db2.gz XZQFMZBGXOQXPZ-MNOVXSKESA-N 1 2 236.271 -0.187 20 0 BBADLO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(O)c1 ZINC000895369177 583660710 /nfs/dbraw/zinc/66/07/10/583660710.db2.gz XZQFMZBGXOQXPZ-MNOVXSKESA-N 1 2 236.271 -0.187 20 0 BBADLO Cn1cccc1C[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000895369191 583660822 /nfs/dbraw/zinc/66/08/22/583660822.db2.gz YJWPJAGQJGUOOH-ZJUUUORDSA-N 1 2 223.276 -0.554 20 0 BBADLO Cn1cccc1C[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000895369191 583660821 /nfs/dbraw/zinc/66/08/21/583660821.db2.gz YJWPJAGQJGUOOH-ZJUUUORDSA-N 1 2 223.276 -0.554 20 0 BBADLO COC(=O)[C@@H]1[C@H](C[NH2+]Cc2cn[nH]n2)C1(F)F ZINC000895378550 583662408 /nfs/dbraw/zinc/66/24/08/583662408.db2.gz GRTUCRYEHPUYDI-BQBZGAKWSA-N 1 2 246.217 -0.051 20 0 BBADLO COC(=O)[C@@H]1[C@H](C[NH2+]Cc2cnn[nH]2)C1(F)F ZINC000895378550 583662406 /nfs/dbraw/zinc/66/24/06/583662406.db2.gz GRTUCRYEHPUYDI-BQBZGAKWSA-N 1 2 246.217 -0.051 20 0 BBADLO COC(=O)[C@H]1[C@H](C[NH2+]Cc2cn[nH]n2)C1(F)F ZINC000895378552 583662359 /nfs/dbraw/zinc/66/23/59/583662359.db2.gz GRTUCRYEHPUYDI-NKWVEPMBSA-N 1 2 246.217 -0.051 20 0 BBADLO COC(=O)[C@H]1[C@H](C[NH2+]Cc2cnn[nH]2)C1(F)F ZINC000895378552 583662358 /nfs/dbraw/zinc/66/23/58/583662358.db2.gz GRTUCRYEHPUYDI-NKWVEPMBSA-N 1 2 246.217 -0.051 20 0 BBADLO COC(=O)[C@H]1[C@@H](C[NH2+]Cc2cn[nH]n2)C1(F)F ZINC000895378554 583662243 /nfs/dbraw/zinc/66/22/43/583662243.db2.gz GRTUCRYEHPUYDI-RNFRBKRXSA-N 1 2 246.217 -0.051 20 0 BBADLO COC(=O)[C@H]1[C@@H](C[NH2+]Cc2cnn[nH]2)C1(F)F ZINC000895378554 583662241 /nfs/dbraw/zinc/66/22/41/583662241.db2.gz GRTUCRYEHPUYDI-RNFRBKRXSA-N 1 2 246.217 -0.051 20 0 BBADLO COC(=O)[C@@H]1[C@@H](C[NH2+]Cc2cn[nH]n2)C1(F)F ZINC000895378556 583661973 /nfs/dbraw/zinc/66/19/73/583661973.db2.gz GRTUCRYEHPUYDI-RQJHMYQMSA-N 1 2 246.217 -0.051 20 0 BBADLO COC(=O)[C@@H]1[C@@H](C[NH2+]Cc2cnn[nH]2)C1(F)F ZINC000895378556 583661970 /nfs/dbraw/zinc/66/19/70/583661970.db2.gz GRTUCRYEHPUYDI-RQJHMYQMSA-N 1 2 246.217 -0.051 20 0 BBADLO CS(=O)(=O)NC1CN(Cc2c[nH]c[nH+]2)C1 ZINC000895393077 583664581 /nfs/dbraw/zinc/66/45/81/583664581.db2.gz 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IHPAWHPUZNYTMF-JTQLQIEISA-N 1 2 249.332 -0.479 20 0 BBADLO CO[C@]1(C[N@H+](C)C2CS(=O)(=O)C2)CCOC1 ZINC000895399037 583666074 /nfs/dbraw/zinc/66/60/74/583666074.db2.gz IHPAWHPUZNYTMF-JTQLQIEISA-N 1 2 249.332 -0.479 20 0 BBADLO CO[C@@]1(C[N@@H+](C)C2CS(=O)(=O)C2)CCOC1 ZINC000895399040 583666235 /nfs/dbraw/zinc/66/62/35/583666235.db2.gz IHPAWHPUZNYTMF-SNVBAGLBSA-N 1 2 249.332 -0.479 20 0 BBADLO CO[C@@]1(C[N@H+](C)C2CS(=O)(=O)C2)CCOC1 ZINC000895399040 583666234 /nfs/dbraw/zinc/66/62/34/583666234.db2.gz IHPAWHPUZNYTMF-SNVBAGLBSA-N 1 2 249.332 -0.479 20 0 BBADLO CO[C@H](C)C[N@@H+](C)C1CS(=O)(=O)C1 ZINC000895399264 583665839 /nfs/dbraw/zinc/66/58/39/583665839.db2.gz MPCDINTWXSUBGF-SSDOTTSWSA-N 1 2 207.295 -0.250 20 0 BBADLO CO[C@H](C)C[N@H+](C)C1CS(=O)(=O)C1 ZINC000895399264 583665838 /nfs/dbraw/zinc/66/58/38/583665838.db2.gz MPCDINTWXSUBGF-SSDOTTSWSA-N 1 2 207.295 -0.250 20 0 BBADLO CO[C@@H](C)C[N@@H+](C)C1CS(=O)(=O)C1 ZINC000895399265 583665899 /nfs/dbraw/zinc/66/58/99/583665899.db2.gz MPCDINTWXSUBGF-ZETCQYMHSA-N 1 2 207.295 -0.250 20 0 BBADLO CO[C@@H](C)C[N@H+](C)C1CS(=O)(=O)C1 ZINC000895399265 583665898 /nfs/dbraw/zinc/66/58/98/583665898.db2.gz MPCDINTWXSUBGF-ZETCQYMHSA-N 1 2 207.295 -0.250 20 0 BBADLO CN(Cc1[nH+]ccn1C)C1CS(=O)(=O)C1 ZINC000895400354 583665916 /nfs/dbraw/zinc/66/59/16/583665916.db2.gz FMHAQCVNPCQMQA-UHFFFAOYSA-N 1 2 229.305 -0.351 20 0 BBADLO Cn1ncc(C[N@H+]2CCNC(=O)CC2(C)C)n1 ZINC000895400368 583665992 /nfs/dbraw/zinc/66/59/92/583665992.db2.gz OBCDPRAKDOCFME-UHFFFAOYSA-N 1 2 237.307 -0.084 20 0 BBADLO Cn1ncc(C[N@@H+]2CCNC(=O)CC2(C)C)n1 ZINC000895400368 583665990 /nfs/dbraw/zinc/66/59/90/583665990.db2.gz OBCDPRAKDOCFME-UHFFFAOYSA-N 1 2 237.307 -0.084 20 0 BBADLO CN(Cc1c[nH+]cn1C)C1CS(=O)(=O)C1 ZINC000895400520 583665767 /nfs/dbraw/zinc/66/57/67/583665767.db2.gz IOHABVVSBPHIQV-UHFFFAOYSA-N 1 2 229.305 -0.351 20 0 BBADLO Cn1ncnc1C[N@H+]1CCNC(=O)CC1(C)C ZINC000895400904 583666404 /nfs/dbraw/zinc/66/64/04/583666404.db2.gz ZSZHUALGFAEEPP-UHFFFAOYSA-N 1 2 237.307 -0.084 20 0 BBADLO Cn1ncnc1C[N@@H+]1CCNC(=O)CC1(C)C ZINC000895400904 583666403 /nfs/dbraw/zinc/66/64/03/583666403.db2.gz ZSZHUALGFAEEPP-UHFFFAOYSA-N 1 2 237.307 -0.084 20 0 BBADLO C[C@H]1CO[C@@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000895481375 583680787 /nfs/dbraw/zinc/68/07/87/583680787.db2.gz IIOODKILCYFUOW-GHMZBOCLSA-N 1 2 242.319 -0.140 20 0 BBADLO C[C@H]1CO[C@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000895481376 583680971 /nfs/dbraw/zinc/68/09/71/583680971.db2.gz IIOODKILCYFUOW-MNOVXSKESA-N 1 2 242.319 -0.140 20 0 BBADLO C[C@@H]1CO[C@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000895481377 583680630 /nfs/dbraw/zinc/68/06/30/583680630.db2.gz IIOODKILCYFUOW-QWRGUYRKSA-N 1 2 242.319 -0.140 20 0 BBADLO C[C@@H]1CO[C@@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000895481378 583680854 /nfs/dbraw/zinc/68/08/54/583680854.db2.gz IIOODKILCYFUOW-WDEREUQCSA-N 1 2 242.319 -0.140 20 0 BBADLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCCO)[nH]n1 ZINC000895483168 636152664 /nfs/dbraw/zinc/15/26/64/636152664.db2.gz OFVYWSKJRNGDHT-JTQLQIEISA-N 1 2 238.291 -0.102 20 0 BBADLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCCO)[nH]n1 ZINC000895483168 636152662 /nfs/dbraw/zinc/15/26/62/636152662.db2.gz OFVYWSKJRNGDHT-JTQLQIEISA-N 1 2 238.291 -0.102 20 0 BBADLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCCO)[nH]n1 ZINC000895483170 636153266 /nfs/dbraw/zinc/15/32/66/636153266.db2.gz OFVYWSKJRNGDHT-SNVBAGLBSA-N 1 2 238.291 -0.102 20 0 BBADLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCCO)[nH]n1 ZINC000895483170 636153257 /nfs/dbraw/zinc/15/32/57/636153257.db2.gz OFVYWSKJRNGDHT-SNVBAGLBSA-N 1 2 238.291 -0.102 20 0 BBADLO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)o1 ZINC000895492704 583680865 /nfs/dbraw/zinc/68/08/65/583680865.db2.gz YGDFVQKJCYAYOH-APPZFPTMSA-N 1 2 240.259 -0.291 20 0 BBADLO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)o1 ZINC000895492704 583680864 /nfs/dbraw/zinc/68/08/64/583680864.db2.gz YGDFVQKJCYAYOH-APPZFPTMSA-N 1 2 240.259 -0.291 20 0 BBADLO Cc1cn(C(C)(C)C(=O)N[C@H](C)C(N)=O)c[nH+]1 ZINC000895501110 583681393 /nfs/dbraw/zinc/68/13/93/583681393.db2.gz FKYMGUHMNGBGER-MRVPVSSYSA-N 1 2 238.291 -0.083 20 0 BBADLO Cc1cn(C(C)(C)C(=O)N[C@@H](C)C(N)=O)c[nH+]1 ZINC000895501111 583681329 /nfs/dbraw/zinc/68/13/29/583681329.db2.gz FKYMGUHMNGBGER-QMMMGPOBSA-N 1 2 238.291 -0.083 20 0 BBADLO COCCOC[C@@H](C)[NH2+]Cc1cn[nH]n1 ZINC000895531689 583685617 /nfs/dbraw/zinc/68/56/17/583685617.db2.gz LNJADFLHXPEYCS-MRVPVSSYSA-N 1 2 214.269 -0.054 20 0 BBADLO COCCOC[C@@H](C)[NH2+]Cc1c[nH]nn1 ZINC000895531689 583685615 /nfs/dbraw/zinc/68/56/15/583685615.db2.gz LNJADFLHXPEYCS-MRVPVSSYSA-N 1 2 214.269 -0.054 20 0 BBADLO COCCOC[C@H](C)[NH2+]Cc1cn[nH]n1 ZINC000895531694 583685830 /nfs/dbraw/zinc/68/58/30/583685830.db2.gz LNJADFLHXPEYCS-QMMMGPOBSA-N 1 2 214.269 -0.054 20 0 BBADLO COCCOC[C@H](C)[NH2+]Cc1c[nH]nn1 ZINC000895531694 583685829 /nfs/dbraw/zinc/68/58/29/583685829.db2.gz LNJADFLHXPEYCS-QMMMGPOBSA-N 1 2 214.269 -0.054 20 0 BBADLO NC(=O)Cn1cc(C[NH+]2CCC(F)CC2)nn1 ZINC000895547279 583686746 /nfs/dbraw/zinc/68/67/46/583686746.db2.gz SHMBODSYUUDBCS-UHFFFAOYSA-N 1 2 241.270 -0.303 20 0 BBADLO C[N@H+]1CCOC[C@]1(CO)CNc1cnccn1 ZINC000895609754 583695962 /nfs/dbraw/zinc/69/59/62/583695962.db2.gz KEPMMAYDRJHLAW-LLVKDONJSA-N 1 2 238.291 -0.418 20 0 BBADLO C[N@@H+]1CCOC[C@]1(CO)CNc1cnccn1 ZINC000895609754 583695960 /nfs/dbraw/zinc/69/59/60/583695960.db2.gz KEPMMAYDRJHLAW-LLVKDONJSA-N 1 2 238.291 -0.418 20 0 BBADLO C[N@H+]1CCOC[C@@]1(CO)CNc1cnccn1 ZINC000895609756 583696157 /nfs/dbraw/zinc/69/61/57/583696157.db2.gz KEPMMAYDRJHLAW-NSHDSACASA-N 1 2 238.291 -0.418 20 0 BBADLO C[N@@H+]1CCOC[C@@]1(CO)CNc1cnccn1 ZINC000895609756 583696156 /nfs/dbraw/zinc/69/61/56/583696156.db2.gz KEPMMAYDRJHLAW-NSHDSACASA-N 1 2 238.291 -0.418 20 0 BBADLO C[N@H+]1CCOC[C@]1(CO)CNc1ncccn1 ZINC000895610500 583696211 /nfs/dbraw/zinc/69/62/11/583696211.db2.gz VFFUIDOWZXYVLX-LLVKDONJSA-N 1 2 238.291 -0.418 20 0 BBADLO C[N@@H+]1CCOC[C@]1(CO)CNc1ncccn1 ZINC000895610500 583696209 /nfs/dbraw/zinc/69/62/09/583696209.db2.gz VFFUIDOWZXYVLX-LLVKDONJSA-N 1 2 238.291 -0.418 20 0 BBADLO C[N@H+]1CCOC[C@@]1(CO)CNc1ncccn1 ZINC000895610501 583696176 /nfs/dbraw/zinc/69/61/76/583696176.db2.gz VFFUIDOWZXYVLX-NSHDSACASA-N 1 2 238.291 -0.418 20 0 BBADLO C[N@@H+]1CCOC[C@@]1(CO)CNc1ncccn1 ZINC000895610501 583696175 /nfs/dbraw/zinc/69/61/75/583696175.db2.gz VFFUIDOWZXYVLX-NSHDSACASA-N 1 2 238.291 -0.418 20 0 BBADLO CC(C)C[NH+]1CC(O)(c2ncnn2C)C1 ZINC000895618223 583697181 /nfs/dbraw/zinc/69/71/81/583697181.db2.gz DLILDSKTTBGJGP-UHFFFAOYSA-N 1 2 210.281 -0.026 20 0 BBADLO COC[C@H](C)C[NH+]1CC(O)(c2ncnn2C)C1 ZINC000895618578 583697093 /nfs/dbraw/zinc/69/70/93/583697093.db2.gz LHXTYMRCPWDVFX-SECBINFHSA-N 1 2 240.307 -0.399 20 0 BBADLO COC[C@@H](C)C[NH+]1CC(O)(c2ncnn2C)C1 ZINC000895618579 583697150 /nfs/dbraw/zinc/69/71/50/583697150.db2.gz LHXTYMRCPWDVFX-VIFPVBQESA-N 1 2 240.307 -0.399 20 0 BBADLO C[C@@H]1C[C@H]1C[NH+]1CC(O)(c2ncnn2C)C1 ZINC000895619048 583696992 /nfs/dbraw/zinc/69/69/92/583696992.db2.gz QOKXARLGYVXEFZ-BDAKNGLRSA-N 1 2 222.292 -0.026 20 0 BBADLO C[C@H]1C[C@@H]1C[NH+]1CC(O)(c2ncnn2C)C1 ZINC000895619049 583696901 /nfs/dbraw/zinc/69/69/01/583696901.db2.gz QOKXARLGYVXEFZ-DTWKUNHWSA-N 1 2 222.292 -0.026 20 0 BBADLO C[C@H]1C[C@H]1C[NH+]1CC(O)(c2ncnn2C)C1 ZINC000895619050 583696978 /nfs/dbraw/zinc/69/69/78/583696978.db2.gz QOKXARLGYVXEFZ-IUCAKERBSA-N 1 2 222.292 -0.026 20 0 BBADLO C[C@@H]1C[C@@H]1C[NH+]1CC(O)(c2ncnn2C)C1 ZINC000895619051 583697241 /nfs/dbraw/zinc/69/72/41/583697241.db2.gz QOKXARLGYVXEFZ-RKDXNWHRSA-N 1 2 222.292 -0.026 20 0 BBADLO Cn1ccc(C[NH+]2CC(O)(c3ncnn3C)C2)c1 ZINC000895619397 583697265 /nfs/dbraw/zinc/69/72/65/583697265.db2.gz WAQDHLURRHMKSS-UHFFFAOYSA-N 1 2 247.302 -0.143 20 0 BBADLO Cn1ncnc1C1(O)C[NH+](CC2CC2)C1 ZINC000895621056 583696987 /nfs/dbraw/zinc/69/69/87/583696987.db2.gz QWBRXQJNNGINBW-UHFFFAOYSA-N 1 2 208.265 -0.272 20 0 BBADLO CN(CC[NH2+]Cc1ccon1)CCOCCO ZINC000895665889 583705560 /nfs/dbraw/zinc/70/55/60/583705560.db2.gz RJFQMKZOYVVXQD-UHFFFAOYSA-N 1 2 243.307 -0.295 20 0 BBADLO CCn1cc(C[NH2+][C@@H](C)C(=O)N(C)OC)nn1 ZINC000895666904 583705645 /nfs/dbraw/zinc/70/56/45/583705645.db2.gz YIBLZPSDHWSZAO-QMMMGPOBSA-N 1 2 241.295 -0.204 20 0 BBADLO CCn1cc(C[NH2+][C@H](C)C(=O)N(C)OC)nn1 ZINC000895668170 583705868 /nfs/dbraw/zinc/70/58/68/583705868.db2.gz YIBLZPSDHWSZAO-MRVPVSSYSA-N 1 2 241.295 -0.204 20 0 BBADLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2nc(C)c[nH]2)C1 ZINC000895703182 583709433 /nfs/dbraw/zinc/70/94/33/583709433.db2.gz ZWQXPACLBQLUTN-LLVKDONJSA-N 1 2 239.275 -0.172 20 0 BBADLO COC(=O)[C@@]1(O)CC[N@H+](Cc2nc(C)c[nH]2)C1 ZINC000895703182 583709432 /nfs/dbraw/zinc/70/94/32/583709432.db2.gz ZWQXPACLBQLUTN-LLVKDONJSA-N 1 2 239.275 -0.172 20 0 BBADLO COC(=O)[C@]1(O)CC[N@@H+](Cc2nc(C)c[nH]2)C1 ZINC000895703183 583709851 /nfs/dbraw/zinc/70/98/51/583709851.db2.gz ZWQXPACLBQLUTN-NSHDSACASA-N 1 2 239.275 -0.172 20 0 BBADLO COC(=O)[C@]1(O)CC[N@H+](Cc2nc(C)c[nH]2)C1 ZINC000895703183 583709849 /nfs/dbraw/zinc/70/98/49/583709849.db2.gz ZWQXPACLBQLUTN-NSHDSACASA-N 1 2 239.275 -0.172 20 0 BBADLO COC(=O)[C@]1(O)CC[N@@H+](Cc2cocn2)C1 ZINC000895703653 583709704 /nfs/dbraw/zinc/70/97/04/583709704.db2.gz NDNUNBCIOHATSR-JTQLQIEISA-N 1 2 226.232 -0.216 20 0 BBADLO COC(=O)[C@]1(O)CC[N@H+](Cc2cocn2)C1 ZINC000895703653 583709703 /nfs/dbraw/zinc/70/97/03/583709703.db2.gz NDNUNBCIOHATSR-JTQLQIEISA-N 1 2 226.232 -0.216 20 0 BBADLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2cocn2)C1 ZINC000895703661 583709430 /nfs/dbraw/zinc/70/94/30/583709430.db2.gz NDNUNBCIOHATSR-SNVBAGLBSA-N 1 2 226.232 -0.216 20 0 BBADLO COC(=O)[C@@]1(O)CC[N@H+](Cc2cocn2)C1 ZINC000895703661 583709429 /nfs/dbraw/zinc/70/94/29/583709429.db2.gz NDNUNBCIOHATSR-SNVBAGLBSA-N 1 2 226.232 -0.216 20 0 BBADLO Cc1cn(C(C)(C)C(=O)N(C)CC(N)=O)c[nH+]1 ZINC000895730259 583713619 /nfs/dbraw/zinc/71/36/19/583713619.db2.gz PGSRIYOUPYUBIV-UHFFFAOYSA-N 1 2 238.291 -0.130 20 0 BBADLO Cc1cn(C(C)(C)C(=O)NCCC(N)=O)c[nH+]1 ZINC000895740481 583714339 /nfs/dbraw/zinc/71/43/39/583714339.db2.gz VHMGZHJKSJJZBL-UHFFFAOYSA-N 1 2 238.291 -0.082 20 0 BBADLO COC(=O)[C@@H]([NH2+][C@H](C)[C@H]1CCOC1)[C@@H](C)O ZINC000895742909 583715585 /nfs/dbraw/zinc/71/55/85/583715585.db2.gz AJFSZOQDVWAKMJ-IMSYWVGJSA-N 1 2 231.292 -0.077 20 0 BBADLO COC(=O)[C@@H]([NH2+][C@@H](C)[C@@H]1CCOC1)[C@@H](C)O ZINC000895742910 583715319 /nfs/dbraw/zinc/71/53/19/583715319.db2.gz AJFSZOQDVWAKMJ-JLIMGVALSA-N 1 2 231.292 -0.077 20 0 BBADLO COC(=O)[C@@H]([NH2+][C@@H](C)[C@H]1CCOC1)[C@@H](C)O ZINC000895742911 583715352 /nfs/dbraw/zinc/71/53/52/583715352.db2.gz AJFSZOQDVWAKMJ-JXUBOQSCSA-N 1 2 231.292 -0.077 20 0 BBADLO COC(=O)[C@@H]([NH2+][C@H](C)[C@@H]1CCOC1)[C@@H](C)O ZINC000895742912 583715364 /nfs/dbraw/zinc/71/53/64/583715364.db2.gz AJFSZOQDVWAKMJ-KYXWUPHJSA-N 1 2 231.292 -0.077 20 0 BBADLO COC(=O)[C@@H]([NH2+]CC[C@@H]1CCOC1)[C@@H](C)O ZINC000895742934 583715417 /nfs/dbraw/zinc/71/54/17/583715417.db2.gz BARQWQLWIZJARB-BBBLOLIVSA-N 1 2 231.292 -0.075 20 0 BBADLO COC(=O)[C@@H]([NH2+]CC[C@H]1CCOC1)[C@@H](C)O ZINC000895742936 583715602 /nfs/dbraw/zinc/71/56/02/583715602.db2.gz BARQWQLWIZJARB-UTLUCORTSA-N 1 2 231.292 -0.075 20 0 BBADLO COC(=O)[C@@H]([NH2+][C@@H]1CCCNC(=O)C1)[C@@H](C)O ZINC000895743869 583716259 /nfs/dbraw/zinc/71/62/59/583716259.db2.gz NVHVHOGKTRHUCB-MRTMQBJTSA-N 1 2 244.291 -0.833 20 0 BBADLO COC(=O)[C@@H]([NH2+][C@H]1CCCNC(=O)C1)[C@@H](C)O ZINC000895743876 583716265 /nfs/dbraw/zinc/71/62/65/583716265.db2.gz NVHVHOGKTRHUCB-WEDXCCLWSA-N 1 2 244.291 -0.833 20 0 BBADLO Cc1cn(C(C)(C)C(=O)NC2=NCC(=O)N2)c[nH+]1 ZINC000895799638 583730820 /nfs/dbraw/zinc/73/08/20/583730820.db2.gz VROWFRNTKHFDIB-UHFFFAOYSA-N 1 2 249.274 -0.471 20 0 BBADLO c1[nH]nc2nc[nH+]c(N3CCOCN3)c12 ZINC000895921895 583746636 /nfs/dbraw/zinc/74/66/36/583746636.db2.gz CORMIWIDXXDBHB-UHFFFAOYSA-N 1 2 206.209 -0.348 20 0 BBADLO Cc1nc2c(cnn2C)c(N2CCOCN2)[nH+]1 ZINC000895923812 583747409 /nfs/dbraw/zinc/74/74/09/583747409.db2.gz QPFLCVMDMOOJIJ-UHFFFAOYSA-N 1 2 234.263 -0.030 20 0 BBADLO Cn1nnc2c1nc[nH+]c2N1CCOCN1 ZINC000895925835 583748092 /nfs/dbraw/zinc/74/80/92/583748092.db2.gz PKICQTFLMWQMQJ-UHFFFAOYSA-N 1 2 221.224 -0.943 20 0 BBADLO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CC1(F)CC1 ZINC000895946026 583750977 /nfs/dbraw/zinc/75/09/77/583750977.db2.gz MKGHYCGIYTVQEK-RQJHMYQMSA-N 1 2 202.229 -0.591 20 0 BBADLO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CC1(F)CC1 ZINC000895946026 583750975 /nfs/dbraw/zinc/75/09/75/583750975.db2.gz MKGHYCGIYTVQEK-RQJHMYQMSA-N 1 2 202.229 -0.591 20 0 BBADLO Cn1nncc1C[NH2+][C@H]1CS(=O)(=O)C1(C)C ZINC000895978356 583757354 /nfs/dbraw/zinc/75/73/54/583757354.db2.gz PCKYAQBNGFMMSD-QMMMGPOBSA-N 1 2 244.320 -0.520 20 0 BBADLO COC(=O)[C@@H]([NH2+][C@H](C)CCO)[C@@H](C)O ZINC000896042673 583766681 /nfs/dbraw/zinc/76/66/81/583766681.db2.gz DQJYEGSYQGURAI-PRJMDXOYSA-N 1 2 205.254 -0.731 20 0 BBADLO COC(=O)[C@@H]([NH2+][C@@H](C)CCO)[C@@H](C)O ZINC000896042679 583767082 /nfs/dbraw/zinc/76/70/82/583767082.db2.gz DQJYEGSYQGURAI-RNJXMRFFSA-N 1 2 205.254 -0.731 20 0 BBADLO CS(=O)(=O)C[C@H](O)CNc1cc[nH+]cc1F ZINC000896191268 583781683 /nfs/dbraw/zinc/78/16/83/583781683.db2.gz OWCSBZUWQIEPRK-SSDOTTSWSA-N 1 2 248.279 -0.540 20 0 BBADLO CS(=O)(=O)C[C@@H](O)CNc1cc[nH+]cc1F ZINC000896191269 583781492 /nfs/dbraw/zinc/78/14/92/583781492.db2.gz OWCSBZUWQIEPRK-ZETCQYMHSA-N 1 2 248.279 -0.540 20 0 BBADLO Cc1nc(NC[C@@H](O)CS(C)(=O)=O)cc[nH+]1 ZINC000896191820 583782570 /nfs/dbraw/zinc/78/25/70/583782570.db2.gz DUJBCDQEQIMSFW-MRVPVSSYSA-N 1 2 245.304 -0.398 20 0 BBADLO Cc1nc(NC[C@H](O)CS(C)(=O)=O)cc[nH+]1 ZINC000896191821 583782617 /nfs/dbraw/zinc/78/26/17/583782617.db2.gz DUJBCDQEQIMSFW-QMMMGPOBSA-N 1 2 245.304 -0.398 20 0 BBADLO Cc1cc(NC[C@@H](O)CS(C)(=O)=O)nc[nH+]1 ZINC000896191923 583782623 /nfs/dbraw/zinc/78/26/23/583782623.db2.gz QRGJSBPYADUUKB-MRVPVSSYSA-N 1 2 245.304 -0.398 20 0 BBADLO Cc1cc(NC[C@H](O)CS(C)(=O)=O)nc[nH+]1 ZINC000896191924 583782097 /nfs/dbraw/zinc/78/20/97/583782097.db2.gz QRGJSBPYADUUKB-QMMMGPOBSA-N 1 2 245.304 -0.398 20 0 BBADLO CONC(=O)CNc1cc(CO)cc(C)[nH+]1 ZINC000896193384 583782464 /nfs/dbraw/zinc/78/24/64/583782464.db2.gz APLPAOSXRIYSOZ-UHFFFAOYSA-N 1 2 225.248 -0.028 20 0 BBADLO Cn1c[nH+]c(CNC(=O)NC[C@@H]2COCO2)c1 ZINC000896194085 583782898 /nfs/dbraw/zinc/78/28/98/583782898.db2.gz LTIMVTNLQHHBMT-SECBINFHSA-N 1 2 240.263 -0.408 20 0 BBADLO Cn1c[nH+]c(CNC(=O)NC[C@H]2COCO2)c1 ZINC000896194086 583782967 /nfs/dbraw/zinc/78/29/67/583782967.db2.gz LTIMVTNLQHHBMT-VIFPVBQESA-N 1 2 240.263 -0.408 20 0 BBADLO CONC(=O)CNc1cc[nH+]c(N(C)C)n1 ZINC000896195801 583782396 /nfs/dbraw/zinc/78/23/96/583782396.db2.gz SGHLBZFEZNXXOI-UHFFFAOYSA-N 1 2 225.252 -0.368 20 0 BBADLO CONC(=O)CNc1nc(N(C)C)cc[nH+]1 ZINC000896196375 583782376 /nfs/dbraw/zinc/78/23/76/583782376.db2.gz YYDHFABPZZCAJL-UHFFFAOYSA-N 1 2 225.252 -0.368 20 0 BBADLO Cc1nc(N)nc(NCCO[C@@H]2CCOC2)[nH+]1 ZINC000896472772 583802973 /nfs/dbraw/zinc/80/29/73/583802973.db2.gz FKRMZJQGTFMPTO-MRVPVSSYSA-N 1 2 239.279 -0.020 20 0 BBADLO Cc1nc(NCCO[C@@H]2CCOC2)nc(N)[nH+]1 ZINC000896472772 583802972 /nfs/dbraw/zinc/80/29/72/583802972.db2.gz FKRMZJQGTFMPTO-MRVPVSSYSA-N 1 2 239.279 -0.020 20 0 BBADLO Cc1nc(N)nc(NCCO[C@H]2CCOC2)[nH+]1 ZINC000896472777 583803002 /nfs/dbraw/zinc/80/30/02/583803002.db2.gz FKRMZJQGTFMPTO-QMMMGPOBSA-N 1 2 239.279 -0.020 20 0 BBADLO Cc1nc(NCCO[C@H]2CCOC2)nc(N)[nH+]1 ZINC000896472777 583803001 /nfs/dbraw/zinc/80/30/01/583803001.db2.gz FKRMZJQGTFMPTO-QMMMGPOBSA-N 1 2 239.279 -0.020 20 0 BBADLO CCOCC(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000896576489 583813982 /nfs/dbraw/zinc/81/39/82/583813982.db2.gz HXOJQDPUOGHNMW-GHMZBOCLSA-N 1 2 243.351 -0.227 20 0 BBADLO CCOCC(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896576489 583813981 /nfs/dbraw/zinc/81/39/81/583813981.db2.gz HXOJQDPUOGHNMW-GHMZBOCLSA-N 1 2 243.351 -0.227 20 0 BBADLO CCOCC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896576490 583813576 /nfs/dbraw/zinc/81/35/76/583813576.db2.gz HXOJQDPUOGHNMW-MNOVXSKESA-N 1 2 243.351 -0.227 20 0 BBADLO CCOCC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896576490 583813574 /nfs/dbraw/zinc/81/35/74/583813574.db2.gz HXOJQDPUOGHNMW-MNOVXSKESA-N 1 2 243.351 -0.227 20 0 BBADLO CCOCC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896576491 583813391 /nfs/dbraw/zinc/81/33/91/583813391.db2.gz HXOJQDPUOGHNMW-QWRGUYRKSA-N 1 2 243.351 -0.227 20 0 BBADLO CCOCC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896576491 583813390 /nfs/dbraw/zinc/81/33/90/583813390.db2.gz HXOJQDPUOGHNMW-QWRGUYRKSA-N 1 2 243.351 -0.227 20 0 BBADLO CCOCC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000896576492 583813326 /nfs/dbraw/zinc/81/33/26/583813326.db2.gz HXOJQDPUOGHNMW-WDEREUQCSA-N 1 2 243.351 -0.227 20 0 BBADLO CCOCC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896576492 583813324 /nfs/dbraw/zinc/81/33/24/583813324.db2.gz HXOJQDPUOGHNMW-WDEREUQCSA-N 1 2 243.351 -0.227 20 0 BBADLO Cc1nc(CNC(=O)NC[C@H]2CC[N@@H+]2C)n[nH]1 ZINC000896619095 583817979 /nfs/dbraw/zinc/81/79/79/583817979.db2.gz JLXILAFAVRIHAL-MRVPVSSYSA-N 1 2 238.295 -0.384 20 0 BBADLO Cc1nc(CNC(=O)NC[C@H]2CC[N@H+]2C)n[nH]1 ZINC000896619095 583817978 /nfs/dbraw/zinc/81/79/78/583817978.db2.gz JLXILAFAVRIHAL-MRVPVSSYSA-N 1 2 238.295 -0.384 20 0 BBADLO Cc1nc(CNC(=O)NC[C@@H]2CC[N@@H+]2C)n[nH]1 ZINC000896619097 583817663 /nfs/dbraw/zinc/81/76/63/583817663.db2.gz JLXILAFAVRIHAL-QMMMGPOBSA-N 1 2 238.295 -0.384 20 0 BBADLO Cc1nc(CNC(=O)NC[C@@H]2CC[N@H+]2C)n[nH]1 ZINC000896619097 583817662 /nfs/dbraw/zinc/81/76/62/583817662.db2.gz JLXILAFAVRIHAL-QMMMGPOBSA-N 1 2 238.295 -0.384 20 0 BBADLO CCOC(=O)C1(C)CC([NH2+]CC(=O)NOC)C1 ZINC000896922996 583857461 /nfs/dbraw/zinc/85/74/61/583857461.db2.gz ADIYCLAMQIYNHP-UHFFFAOYSA-N 1 2 244.291 -0.015 20 0 BBADLO CONC(=O)C[NH2+]C1CCC(C)(O)CC1 ZINC000896923783 583858696 /nfs/dbraw/zinc/85/86/96/583858696.db2.gz IGQBZRLZVYWVLN-UHFFFAOYSA-N 1 2 216.281 -0.053 20 0 BBADLO CONC(=O)C[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC000896924044 583858632 /nfs/dbraw/zinc/85/86/32/583858632.db2.gz JRMJHQIMEWRHNG-HTQZYQBOSA-N 1 2 230.264 -0.405 20 0 BBADLO CONC(=O)C[NH2+][C@@H]1CC[C@H](C(=O)OC)C1 ZINC000896924047 583858749 /nfs/dbraw/zinc/85/87/49/583858749.db2.gz JRMJHQIMEWRHNG-JGVFFNPUSA-N 1 2 230.264 -0.405 20 0 BBADLO CONC(=O)C[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC000896924048 583858743 /nfs/dbraw/zinc/85/87/43/583858743.db2.gz JRMJHQIMEWRHNG-SFYZADRCSA-N 1 2 230.264 -0.405 20 0 BBADLO CONC(=O)C[NH2+][C@H]1CC[C@H](C(=O)OC)C1 ZINC000896924050 583858365 /nfs/dbraw/zinc/85/83/65/583858365.db2.gz JRMJHQIMEWRHNG-YUMQZZPRSA-N 1 2 230.264 -0.405 20 0 BBADLO COC(=O)NCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896924294 583857754 /nfs/dbraw/zinc/85/77/54/583857754.db2.gz VLJGXNBFBVBXFF-UHFFFAOYSA-N 1 2 240.263 -0.001 20 0 BBADLO CO[N-]C(=O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000896925326 583858013 /nfs/dbraw/zinc/85/80/13/583858013.db2.gz VQOODKIUZIZLPQ-BDAKNGLRSA-N 1 2 215.297 -0.264 20 0 BBADLO CO[N-]C(=O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000896925326 583858012 /nfs/dbraw/zinc/85/80/12/583858012.db2.gz VQOODKIUZIZLPQ-BDAKNGLRSA-N 1 2 215.297 -0.264 20 0 BBADLO CO[N-]C(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000896925327 583858217 /nfs/dbraw/zinc/85/82/17/583858217.db2.gz VQOODKIUZIZLPQ-DTWKUNHWSA-N 1 2 215.297 -0.264 20 0 BBADLO CO[N-]C(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000896925327 583858215 /nfs/dbraw/zinc/85/82/15/583858215.db2.gz VQOODKIUZIZLPQ-DTWKUNHWSA-N 1 2 215.297 -0.264 20 0 BBADLO CO[N-]C(=O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000896925328 583858037 /nfs/dbraw/zinc/85/80/37/583858037.db2.gz VQOODKIUZIZLPQ-IUCAKERBSA-N 1 2 215.297 -0.264 20 0 BBADLO CO[N-]C(=O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000896925328 583858036 /nfs/dbraw/zinc/85/80/36/583858036.db2.gz VQOODKIUZIZLPQ-IUCAKERBSA-N 1 2 215.297 -0.264 20 0 BBADLO CO[N-]C(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000896925329 583857962 /nfs/dbraw/zinc/85/79/62/583857962.db2.gz VQOODKIUZIZLPQ-RKDXNWHRSA-N 1 2 215.297 -0.264 20 0 BBADLO CO[N-]C(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000896925329 583857960 /nfs/dbraw/zinc/85/79/60/583857960.db2.gz VQOODKIUZIZLPQ-RKDXNWHRSA-N 1 2 215.297 -0.264 20 0 BBADLO CONC(=O)C[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000896925386 583858169 /nfs/dbraw/zinc/85/81/69/583858169.db2.gz WYFCOOXOJWIAQY-BDAKNGLRSA-N 1 2 243.307 -0.299 20 0 BBADLO CONC(=O)C[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000896925387 583858267 /nfs/dbraw/zinc/85/82/67/583858267.db2.gz WYFCOOXOJWIAQY-DTWKUNHWSA-N 1 2 243.307 -0.299 20 0 BBADLO CONC(=O)C[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000896925388 583858054 /nfs/dbraw/zinc/85/80/54/583858054.db2.gz WYFCOOXOJWIAQY-IUCAKERBSA-N 1 2 243.307 -0.299 20 0 BBADLO CONC(=O)C[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000896925389 583857985 /nfs/dbraw/zinc/85/79/85/583857985.db2.gz WYFCOOXOJWIAQY-RKDXNWHRSA-N 1 2 243.307 -0.299 20 0 BBADLO CONC(=O)C[NH2+]CCC[C@@H]1CCO1 ZINC000896925552 583858287 /nfs/dbraw/zinc/85/82/87/583858287.db2.gz YUTZKKOXBWTMJE-MRVPVSSYSA-N 1 2 202.254 -0.177 20 0 BBADLO CONC(=O)C[NH2+]CCC[C@H]1CCO1 ZINC000896925553 583858160 /nfs/dbraw/zinc/85/81/60/583858160.db2.gz YUTZKKOXBWTMJE-QMMMGPOBSA-N 1 2 202.254 -0.177 20 0 BBADLO CO[N-]C(=O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000896925575 583858238 /nfs/dbraw/zinc/85/82/38/583858238.db2.gz ZMWUMNDHBWZIFG-UHFFFAOYSA-N 1 2 227.308 -0.120 20 0 BBADLO CCOC1CC([NH2+]CC(=O)NOC)C1 ZINC000896926679 583860309 /nfs/dbraw/zinc/86/03/09/583860309.db2.gz KDMOHRSGBVVCPF-UHFFFAOYSA-N 1 2 202.254 -0.179 20 0 BBADLO CONC(=O)C[NH2+]CCC(C)(C)C(=O)OC ZINC000896926689 583860034 /nfs/dbraw/zinc/86/00/34/583860034.db2.gz KPYKSNIDAKEHGG-UHFFFAOYSA-N 1 2 232.280 -0.157 20 0 BBADLO CONC(=O)C[NH2+]CC[C@@H]1CCOC1 ZINC000896926715 583860325 /nfs/dbraw/zinc/86/03/25/583860325.db2.gz LFVYLWHTIFONPE-MRVPVSSYSA-N 1 2 202.254 -0.320 20 0 BBADLO CONC(=O)C[NH2+]CC[C@H]1CCOC1 ZINC000896926716 583859991 /nfs/dbraw/zinc/85/99/91/583859991.db2.gz LFVYLWHTIFONPE-QMMMGPOBSA-N 1 2 202.254 -0.320 20 0 BBADLO CONC(=O)C[NH2+]CCCc1cnn(C)c1 ZINC000896927281 583859540 /nfs/dbraw/zinc/85/95/40/583859540.db2.gz PCBSHVWKHBQVJA-UHFFFAOYSA-N 1 2 226.280 -0.380 20 0 BBADLO CONC(=O)C[NH2+]C1CCC(C(=O)OC)CC1 ZINC000896927328 583859279 /nfs/dbraw/zinc/85/92/79/583859279.db2.gz PZHYOVMYOMFYMW-UHFFFAOYSA-N 1 2 244.291 -0.015 20 0 BBADLO CC[NH+]1CCC([NH2+]CC(=O)[N-]OC)CC1 ZINC000896927364 583859582 /nfs/dbraw/zinc/85/95/82/583859582.db2.gz QSIKTGQKZALMHI-UHFFFAOYSA-N 1 2 215.297 -0.262 20 0 BBADLO CONC(=O)C[NH2+][C@@H]1CCCOCC1 ZINC000896927377 583859227 /nfs/dbraw/zinc/85/92/27/583859227.db2.gz RDVGBFKXIQIQPE-MRVPVSSYSA-N 1 2 202.254 -0.177 20 0 BBADLO CONC(=O)C[NH2+][C@H]1CCCOCC1 ZINC000896927378 583859172 /nfs/dbraw/zinc/85/91/72/583859172.db2.gz RDVGBFKXIQIQPE-QMMMGPOBSA-N 1 2 202.254 -0.177 20 0 BBADLO CCN(CCC(=O)NC)c1nc(N)nc(C)[nH+]1 ZINC000896979713 583866050 /nfs/dbraw/zinc/86/60/50/583866050.db2.gz JRQGRGVHADNOFF-UHFFFAOYSA-N 1 2 238.295 -0.275 20 0 BBADLO CCN(CCC(=O)NC)c1nc(C)[nH+]c(N)n1 ZINC000896979713 583866047 /nfs/dbraw/zinc/86/60/47/583866047.db2.gz JRQGRGVHADNOFF-UHFFFAOYSA-N 1 2 238.295 -0.275 20 0 BBADLO Cn1ncc2c1nc[nH+]c2N1CC[C@@H]1CO ZINC000897118166 583881494 /nfs/dbraw/zinc/88/14/94/583881494.db2.gz GONOFXPQGTVCDS-SSDOTTSWSA-N 1 2 219.248 -0.066 20 0 BBADLO Cn1ncc2c1nc[nH+]c2N1CC[C@H]1CO ZINC000897118167 583881628 /nfs/dbraw/zinc/88/16/28/583881628.db2.gz GONOFXPQGTVCDS-ZETCQYMHSA-N 1 2 219.248 -0.066 20 0 BBADLO O=S1(=O)NC[C@@H]2C[N@@H+](CC3(F)CC3)CCN21 ZINC000897278951 583909506 /nfs/dbraw/zinc/90/95/06/583909506.db2.gz CGORUOSYHZAAIN-MRVPVSSYSA-N 1 2 249.311 -0.677 20 0 BBADLO O=S1(=O)NC[C@@H]2C[N@H+](CC3(F)CC3)CCN21 ZINC000897278951 583909504 /nfs/dbraw/zinc/90/95/04/583909504.db2.gz CGORUOSYHZAAIN-MRVPVSSYSA-N 1 2 249.311 -0.677 20 0 BBADLO O=S1(=O)NC[C@H]2C[N@@H+](CC3(F)CC3)CCN21 ZINC000897278952 583909461 /nfs/dbraw/zinc/90/94/61/583909461.db2.gz CGORUOSYHZAAIN-QMMMGPOBSA-N 1 2 249.311 -0.677 20 0 BBADLO O=S1(=O)NC[C@H]2C[N@H+](CC3(F)CC3)CCN21 ZINC000897278952 583909458 /nfs/dbraw/zinc/90/94/58/583909458.db2.gz CGORUOSYHZAAIN-QMMMGPOBSA-N 1 2 249.311 -0.677 20 0 BBADLO C[C@@H](C[S@@](C)=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC000897371818 636532791 /nfs/dbraw/zinc/53/27/91/636532791.db2.gz GKFHCONDMCZJNO-IQMYEBEASA-N 1 2 232.349 -0.036 20 0 BBADLO C[C@@H](C[S@@](C)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000897371818 636532783 /nfs/dbraw/zinc/53/27/83/636532783.db2.gz GKFHCONDMCZJNO-IQMYEBEASA-N 1 2 232.349 -0.036 20 0 BBADLO C[C@@H](C[S@](C)=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC000897371819 636531877 /nfs/dbraw/zinc/53/18/77/636531877.db2.gz GKFHCONDMCZJNO-QQXLSSBLSA-N 1 2 232.349 -0.036 20 0 BBADLO C[C@@H](C[S@](C)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000897371819 636531861 /nfs/dbraw/zinc/53/18/61/636531861.db2.gz GKFHCONDMCZJNO-QQXLSSBLSA-N 1 2 232.349 -0.036 20 0 BBADLO Cc1nc(N)nc(N2CC[C@H](O)[C@@H](F)C2)[nH+]1 ZINC000897378176 583946845 /nfs/dbraw/zinc/94/68/45/583946845.db2.gz BWOLCIJKIRNHNE-BQBZGAKWSA-N 1 2 227.243 -0.329 20 0 BBADLO Cc1nc(N2CC[C@H](O)[C@@H](F)C2)nc(N)[nH+]1 ZINC000897378176 583946843 /nfs/dbraw/zinc/94/68/43/583946843.db2.gz BWOLCIJKIRNHNE-BQBZGAKWSA-N 1 2 227.243 -0.329 20 0 BBADLO Cc1nc(N)nc(N2CC[C@@H](O)[C@@H](F)C2)[nH+]1 ZINC000897378177 583946944 /nfs/dbraw/zinc/94/69/44/583946944.db2.gz BWOLCIJKIRNHNE-NKWVEPMBSA-N 1 2 227.243 -0.329 20 0 BBADLO Cc1nc(N2CC[C@@H](O)[C@@H](F)C2)nc(N)[nH+]1 ZINC000897378177 583946943 /nfs/dbraw/zinc/94/69/43/583946943.db2.gz BWOLCIJKIRNHNE-NKWVEPMBSA-N 1 2 227.243 -0.329 20 0 BBADLO Cc1nc(N)nc(N2CC[C@@H](O)[C@H](F)C2)[nH+]1 ZINC000897378178 583946935 /nfs/dbraw/zinc/94/69/35/583946935.db2.gz BWOLCIJKIRNHNE-RNFRBKRXSA-N 1 2 227.243 -0.329 20 0 BBADLO Cc1nc(N2CC[C@@H](O)[C@H](F)C2)nc(N)[nH+]1 ZINC000897378178 583946934 /nfs/dbraw/zinc/94/69/34/583946934.db2.gz BWOLCIJKIRNHNE-RNFRBKRXSA-N 1 2 227.243 -0.329 20 0 BBADLO Cc1nc(N)nc(N2CC[C@H](O)[C@H](F)C2)[nH+]1 ZINC000897378179 583946930 /nfs/dbraw/zinc/94/69/30/583946930.db2.gz BWOLCIJKIRNHNE-RQJHMYQMSA-N 1 2 227.243 -0.329 20 0 BBADLO Cc1nc(N2CC[C@H](O)[C@H](F)C2)nc(N)[nH+]1 ZINC000897378179 583946929 /nfs/dbraw/zinc/94/69/29/583946929.db2.gz BWOLCIJKIRNHNE-RQJHMYQMSA-N 1 2 227.243 -0.329 20 0 BBADLO Cc1cn(C(C)(C)C(=O)NC(CO)CO)c[nH+]1 ZINC000897423744 583964434 /nfs/dbraw/zinc/96/44/34/583964434.db2.gz SENKITDUWWVIGA-UHFFFAOYSA-N 1 2 241.291 -0.604 20 0 BBADLO CCn1cc(C[N@@H+](C)[C@@]2(CO)CCOC2)nn1 ZINC000897477472 583991582 /nfs/dbraw/zinc/99/15/82/583991582.db2.gz RGLKVLLSTCCYOM-LLVKDONJSA-N 1 2 240.307 -0.119 20 0 BBADLO CCn1cc(C[N@H+](C)[C@@]2(CO)CCOC2)nn1 ZINC000897477472 583991581 /nfs/dbraw/zinc/99/15/81/583991581.db2.gz RGLKVLLSTCCYOM-LLVKDONJSA-N 1 2 240.307 -0.119 20 0 BBADLO CCn1cc(C[N@@H+](C)[C@]2(CO)CCOC2)nn1 ZINC000897477473 583991508 /nfs/dbraw/zinc/99/15/08/583991508.db2.gz RGLKVLLSTCCYOM-NSHDSACASA-N 1 2 240.307 -0.119 20 0 BBADLO CCn1cc(C[N@H+](C)[C@]2(CO)CCOC2)nn1 ZINC000897477473 583991507 /nfs/dbraw/zinc/99/15/07/583991507.db2.gz RGLKVLLSTCCYOM-NSHDSACASA-N 1 2 240.307 -0.119 20 0 BBADLO CN(C)c1cc(NC[C@@H](O)CO)nc[nH+]1 ZINC000897552297 636816452 /nfs/dbraw/zinc/81/64/52/636816452.db2.gz MMKDUCNSLKWIQT-SSDOTTSWSA-N 1 2 212.253 -0.692 20 0 BBADLO CN(C)c1cc(NC[C@@H](O)CO)[nH+]cn1 ZINC000897552297 636816449 /nfs/dbraw/zinc/81/64/49/636816449.db2.gz MMKDUCNSLKWIQT-SSDOTTSWSA-N 1 2 212.253 -0.692 20 0 BBADLO CCn1nc(C)c(C[NH2+][C@]2(C)CCNC2=O)n1 ZINC000897869184 584056158 /nfs/dbraw/zinc/05/61/58/584056158.db2.gz PRUKBRADSYNNCM-LLVKDONJSA-N 1 2 237.307 -0.025 20 0 BBADLO CCn1nc(C)c(C[NH2+][C@@]2(C)CCNC2=O)n1 ZINC000897869185 584056229 /nfs/dbraw/zinc/05/62/29/584056229.db2.gz PRUKBRADSYNNCM-NSHDSACASA-N 1 2 237.307 -0.025 20 0 BBADLO CCn1ncc(C[NH2+][C@@]2(C)CCNC2=O)n1 ZINC000897869344 584055830 /nfs/dbraw/zinc/05/58/30/584055830.db2.gz QQAQAYKBIMNBPG-JTQLQIEISA-N 1 2 223.280 -0.334 20 0 BBADLO CCn1ncc(C[NH2+][C@]2(C)CCNC2=O)n1 ZINC000897869345 584055906 /nfs/dbraw/zinc/05/59/06/584055906.db2.gz QQAQAYKBIMNBPG-SNVBAGLBSA-N 1 2 223.280 -0.334 20 0 BBADLO COc1nccnc1C[NH2+][C@]1(C)CCNC1=O ZINC000897870258 584055916 /nfs/dbraw/zinc/05/59/16/584055916.db2.gz ZVORJWPBHNLBLW-LLVKDONJSA-N 1 2 236.275 -0.147 20 0 BBADLO COc1nccnc1C[NH2+][C@@]1(C)CCNC1=O ZINC000897870259 584055866 /nfs/dbraw/zinc/05/58/66/584055866.db2.gz ZVORJWPBHNLBLW-NSHDSACASA-N 1 2 236.275 -0.147 20 0 BBADLO Cn1ccc(C[NH2+][C@@]2(C)CCNC2=O)n1 ZINC000897871269 584055960 /nfs/dbraw/zinc/05/59/60/584055960.db2.gz KPJGAXVQTZOBJB-JTQLQIEISA-N 1 2 208.265 -0.212 20 0 BBADLO Cn1ccc(C[NH2+][C@]2(C)CCNC2=O)n1 ZINC000897871270 584056047 /nfs/dbraw/zinc/05/60/47/584056047.db2.gz KPJGAXVQTZOBJB-SNVBAGLBSA-N 1 2 208.265 -0.212 20 0 BBADLO O=C1NC(=O)C2(C[NH+](Cc3cc[nH]c(=O)c3)C2)N1 ZINC000897902495 636848432 /nfs/dbraw/zinc/84/84/32/636848432.db2.gz PMWXXNZEYKNLKY-UHFFFAOYSA-N 1 2 248.242 -0.819 20 0 BBADLO CCC[C@H](C[NH+]1CC2(C1)NC(=O)NC2=O)OC ZINC000897903841 636848972 /nfs/dbraw/zinc/84/89/72/636848972.db2.gz HFJJPNHSICEEQC-MRVPVSSYSA-N 1 2 241.291 -0.305 20 0 BBADLO CCC[C@@H](C[NH+]1CC2(C1)NC(=O)NC2=O)OC ZINC000897903842 636848582 /nfs/dbraw/zinc/84/85/82/636848582.db2.gz HFJJPNHSICEEQC-QMMMGPOBSA-N 1 2 241.291 -0.305 20 0 BBADLO CSC1(C[NH+]2CC3(C2)NC(=O)NC3=O)CC1 ZINC000897903953 636848341 /nfs/dbraw/zinc/84/83/41/636848341.db2.gz LLDXDOYWMOXMGF-UHFFFAOYSA-N 1 2 241.316 -0.224 20 0 BBADLO CC1(C[NH+]2CC3(C2)NC(=O)NC3=O)CC1 ZINC000897904191 636848393 /nfs/dbraw/zinc/84/83/93/636848393.db2.gz VXXFHMVVPWYERA-UHFFFAOYSA-N 1 2 209.249 -0.320 20 0 BBADLO O=C1NC(=O)C2(C[NH+](Cc3ccc(=O)[nH]c3)C2)N1 ZINC000897904295 636848174 /nfs/dbraw/zinc/84/81/74/636848174.db2.gz ZLACTCUDCGWQJP-UHFFFAOYSA-N 1 2 248.242 -0.819 20 0 BBADLO CO[C@H](C[NH+]1CC2(C1)NC(=O)NC2=O)C1CC1 ZINC000897904310 636848566 /nfs/dbraw/zinc/84/85/66/636848566.db2.gz ZVVKGXWKIJDNOZ-MRVPVSSYSA-N 1 2 239.275 -0.695 20 0 BBADLO CO[C@@H](C[NH+]1CC2(C1)NC(=O)NC2=O)C1CC1 ZINC000897904311 636847944 /nfs/dbraw/zinc/84/79/44/636847944.db2.gz ZVVKGXWKIJDNOZ-QMMMGPOBSA-N 1 2 239.275 -0.695 20 0 BBADLO COCC(C)(C)C[NH+]1CC2(C1)NC(=O)NC2=O ZINC000897904894 584059803 /nfs/dbraw/zinc/05/98/03/584059803.db2.gz DIPDKSBCSZOHRI-UHFFFAOYSA-N 1 2 241.291 -0.447 20 0 BBADLO Cn1ccc(C[NH+]2CC3(C2)NC(=O)NC3=O)c1 ZINC000897905194 584059956 /nfs/dbraw/zinc/05/99/56/584059956.db2.gz GCVHAWOAEPNGAS-UHFFFAOYSA-N 1 2 234.259 -0.581 20 0 BBADLO CCSCC[NH+]1CC2(C1)NC(=O)NC2=O ZINC000897905986 584060012 /nfs/dbraw/zinc/06/00/12/584060012.db2.gz PQCXYSGFILUAHC-UHFFFAOYSA-N 1 2 229.305 -0.367 20 0 BBADLO O=C1NC(=O)C2(C[NH+](Cc3ccoc3)C2)N1 ZINC000897906889 584059566 /nfs/dbraw/zinc/05/95/66/584059566.db2.gz DLZKPOOIHIUVLA-UHFFFAOYSA-N 1 2 221.216 -0.327 20 0 BBADLO O=C1NC(=O)C2(C[NH+](Cc3cccc(O)c3)C2)N1 ZINC000897907871 584060226 /nfs/dbraw/zinc/06/02/26/584060226.db2.gz OYAIUCRIBPSKKM-UHFFFAOYSA-N 1 2 247.254 -0.214 20 0 BBADLO O=C1NC(=O)C2(C[NH+](Cc3ccco3)C2)N1 ZINC000897908464 584059888 /nfs/dbraw/zinc/05/98/88/584059888.db2.gz VFPMPEGPKULGHS-UHFFFAOYSA-N 1 2 221.216 -0.327 20 0 BBADLO C[N@H+]1CCC[C@@H]1C(=O)N1CC(S(C)(=O)=O)C1 ZINC000897937654 584062880 /nfs/dbraw/zinc/06/28/80/584062880.db2.gz MABLLHMBUPFGLX-SECBINFHSA-N 1 2 246.332 -0.664 20 0 BBADLO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(S(C)(=O)=O)C1 ZINC000897937654 584062878 /nfs/dbraw/zinc/06/28/78/584062878.db2.gz MABLLHMBUPFGLX-SECBINFHSA-N 1 2 246.332 -0.664 20 0 BBADLO C[N@H+]1CCC[C@H]1C(=O)N1CC(S(C)(=O)=O)C1 ZINC000897937655 584063038 /nfs/dbraw/zinc/06/30/38/584063038.db2.gz MABLLHMBUPFGLX-VIFPVBQESA-N 1 2 246.332 -0.664 20 0 BBADLO C[N@@H+]1CCC[C@H]1C(=O)N1CC(S(C)(=O)=O)C1 ZINC000897937655 584063035 /nfs/dbraw/zinc/06/30/35/584063035.db2.gz MABLLHMBUPFGLX-VIFPVBQESA-N 1 2 246.332 -0.664 20 0 BBADLO C[NH+](C)CC(=O)NC(C)(C)c1c[nH]nn1 ZINC000898150881 584087909 /nfs/dbraw/zinc/08/79/09/584087909.db2.gz MUSBTZUCSYHZHV-UHFFFAOYSA-N 1 2 211.269 -0.282 20 0 BBADLO CCn1cc(C[N@H+]2CCc3nn[nH]c3C2)nn1 ZINC000898333039 584111472 /nfs/dbraw/zinc/11/14/72/584111472.db2.gz WRQUXXBTTOXCSE-UHFFFAOYSA-N 1 2 233.279 -0.026 20 0 BBADLO CCn1cc(C[N@@H+]2CCc3nn[nH]c3C2)nn1 ZINC000898333039 584111471 /nfs/dbraw/zinc/11/14/71/584111471.db2.gz WRQUXXBTTOXCSE-UHFFFAOYSA-N 1 2 233.279 -0.026 20 0 BBADLO Cc1nc(CNC(=O)NCC[NH+]2CCC2)n[nH]1 ZINC000898361119 584110920 /nfs/dbraw/zinc/11/09/20/584110920.db2.gz WEYCIIBUCPLDIL-UHFFFAOYSA-N 1 2 238.295 -0.382 20 0 BBADLO Cc1nc(CNC(=O)N2CC[NH+](C)CC2)n[nH]1 ZINC000898376178 584113686 /nfs/dbraw/zinc/11/36/86/584113686.db2.gz KXMUIISVVFZLNH-UHFFFAOYSA-N 1 2 238.295 -0.430 20 0 BBADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1nnc[nH]1 ZINC000898494405 584139995 /nfs/dbraw/zinc/13/99/95/584139995.db2.gz APASGHJIXBVDNJ-MRVPVSSYSA-N 1 2 241.270 -0.032 20 0 BBADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1nnc[nH]1 ZINC000898494405 584139994 /nfs/dbraw/zinc/13/99/94/584139994.db2.gz APASGHJIXBVDNJ-MRVPVSSYSA-N 1 2 241.270 -0.032 20 0 BBADLO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1nnc[nH]1 ZINC000898494406 584140365 /nfs/dbraw/zinc/14/03/65/584140365.db2.gz APASGHJIXBVDNJ-QMMMGPOBSA-N 1 2 241.270 -0.032 20 0 BBADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1nnc[nH]1 ZINC000898494406 584140364 /nfs/dbraw/zinc/14/03/64/584140364.db2.gz APASGHJIXBVDNJ-QMMMGPOBSA-N 1 2 241.270 -0.032 20 0 BBADLO Cn1c[nH+]c(CNC(=O)N2CC(=O)N(C)C2)c1 ZINC000898612631 584146674 /nfs/dbraw/zinc/14/66/74/584146674.db2.gz PNGMXGCGKRNZKV-UHFFFAOYSA-N 1 2 237.263 -0.639 20 0 BBADLO CS(=O)(=O)CC(=O)N1CC([NH+]2CCCC2)C1 ZINC000898613418 584146630 /nfs/dbraw/zinc/14/66/30/584146630.db2.gz HKVKZYHOJSARND-UHFFFAOYSA-N 1 2 246.332 -0.662 20 0 BBADLO C[C@H](O)CCNC(=O)NCc1cn(C)c[nH+]1 ZINC000898615396 584147339 /nfs/dbraw/zinc/14/73/39/584147339.db2.gz GWEADSDWXHMERF-QMMMGPOBSA-N 1 2 226.280 -0.010 20 0 BBADLO Cn1c[nH+]c(CNC(=O)N2C[C@@H]3C[C@]3(O)C2)c1 ZINC000898615431 584147228 /nfs/dbraw/zinc/14/72/28/584147228.db2.gz LAJLHTFJGDMJII-KWQFWETISA-N 1 2 236.275 -0.304 20 0 BBADLO Cn1c[nH+]c(CNC(=O)N2C[C@H]3C[C@@]3(O)C2)c1 ZINC000898615432 584147075 /nfs/dbraw/zinc/14/70/75/584147075.db2.gz LAJLHTFJGDMJII-LDYMZIIASA-N 1 2 236.275 -0.304 20 0 BBADLO Cn1c[nH+]c(CNC(=O)O[C@H]2CNOC2)c1 ZINC000898615531 584147126 /nfs/dbraw/zinc/14/71/26/584147126.db2.gz HTMVYIGFCUPOFZ-QMMMGPOBSA-N 1 2 226.236 -0.450 20 0 BBADLO Cn1c[nH+]c(CNC(=O)N[C@H]2C[C@H](O)C2)c1 ZINC000898616102 584145528 /nfs/dbraw/zinc/14/55/28/584145528.db2.gz PEEKHIFFSAENQM-XWEPSHTISA-N 1 2 224.264 -0.257 20 0 BBADLO Cn1c[nH+]c(CNC(=O)N2CCOCCN2)c1 ZINC000898616326 584145411 /nfs/dbraw/zinc/14/54/11/584145411.db2.gz XRUMBMAYBKZVOD-UHFFFAOYSA-N 1 2 239.279 -0.534 20 0 BBADLO CC[C@@H](O)CNC(=O)NCc1cn(C)c[nH+]1 ZINC000898616407 584145414 /nfs/dbraw/zinc/14/54/14/584145414.db2.gz RFCROJAFMBVVNF-SECBINFHSA-N 1 2 226.280 -0.010 20 0 BBADLO CON(C)CCNC(=O)NCc1cn(C)c[nH+]1 ZINC000898616788 584147816 /nfs/dbraw/zinc/14/78/16/584147816.db2.gz UTMZTPHGMWCNMI-UHFFFAOYSA-N 1 2 241.295 -0.288 20 0 BBADLO Cn1c[nH+]c(CNC(=O)NOCC(C)(C)O)c1 ZINC000898619359 584147712 /nfs/dbraw/zinc/14/77/12/584147712.db2.gz FAIHMAFHXILGJH-UHFFFAOYSA-N 1 2 242.279 -0.078 20 0 BBADLO Cn1c[nH+]c(CNC(=O)N[C@H]2C[C@@H](O)C2)c1 ZINC000898619778 584147889 /nfs/dbraw/zinc/14/78/89/584147889.db2.gz PEEKHIFFSAENQM-OTSSQURYSA-N 1 2 224.264 -0.257 20 0 BBADLO Cn1c[nH+]c(CNC(=O)NCC(F)(F)CO)c1 ZINC000898619852 584147924 /nfs/dbraw/zinc/14/79/24/584147924.db2.gz AOFQTAAYBKXEQE-UHFFFAOYSA-N 1 2 248.233 -0.153 20 0 BBADLO CC[C@@H](CO)NC(=O)NCc1cn(C)c[nH+]1 ZINC000898619978 584147826 /nfs/dbraw/zinc/14/78/26/584147826.db2.gz DXOPPUIKSDXMEQ-QMMMGPOBSA-N 1 2 226.280 -0.010 20 0 BBADLO C[C@@H](O)CCNC(=O)NCc1cn(C)c[nH+]1 ZINC000898620047 584147557 /nfs/dbraw/zinc/14/75/57/584147557.db2.gz GWEADSDWXHMERF-MRVPVSSYSA-N 1 2 226.280 -0.010 20 0 BBADLO Cn1c[nH+]c(CNC(=O)NCC2(CO)CC2)c1 ZINC000898626222 584147860 /nfs/dbraw/zinc/14/78/60/584147860.db2.gz CZEMKFMDVCPBHZ-UHFFFAOYSA-N 1 2 238.291 -0.008 20 0 BBADLO CC[C@H](CO)NC(=O)NCc1cn(C)c[nH+]1 ZINC000898626262 584148052 /nfs/dbraw/zinc/14/80/52/584148052.db2.gz DXOPPUIKSDXMEQ-MRVPVSSYSA-N 1 2 226.280 -0.010 20 0 BBADLO Cn1c[nH+]c(CNC(=O)NC[C@H](O)C2CC2)c1 ZINC000898629517 584146837 /nfs/dbraw/zinc/14/68/37/584146837.db2.gz NQMQFJBEIAWSBL-JTQLQIEISA-N 1 2 238.291 -0.010 20 0 BBADLO Cn1c[nH+]c(CNC(=O)NC[C@@H](O)C2CC2)c1 ZINC000898629518 584146818 /nfs/dbraw/zinc/14/68/18/584146818.db2.gz NQMQFJBEIAWSBL-SNVBAGLBSA-N 1 2 238.291 -0.010 20 0 BBADLO Cn1c[nH+]c(CNC(=O)NCC(C)(C)O)c1 ZINC000898629989 584147740 /nfs/dbraw/zinc/14/77/40/584147740.db2.gz ZTYXRRGQHFQFQR-UHFFFAOYSA-N 1 2 226.280 -0.010 20 0 BBADLO Cc1n[nH]nc1NC(=O)CC[NH+]1CCOCC1 ZINC000898746703 584156753 /nfs/dbraw/zinc/15/67/53/584156753.db2.gz LEOBIXHXQMAANS-UHFFFAOYSA-N 1 2 239.279 -0.226 20 0 BBADLO Cc1n[nH]nc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000898747722 584156641 /nfs/dbraw/zinc/15/66/41/584156641.db2.gz XAZSJOAAOBBKEW-SSDOTTSWSA-N 1 2 225.252 -0.618 20 0 BBADLO Cc1n[nH]nc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000898747722 584156640 /nfs/dbraw/zinc/15/66/40/584156640.db2.gz XAZSJOAAOBBKEW-SSDOTTSWSA-N 1 2 225.252 -0.618 20 0 BBADLO Cc1n[nH]nc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000898747726 584156383 /nfs/dbraw/zinc/15/63/83/584156383.db2.gz XAZSJOAAOBBKEW-ZETCQYMHSA-N 1 2 225.252 -0.618 20 0 BBADLO Cc1n[nH]nc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000898747726 584156381 /nfs/dbraw/zinc/15/63/81/584156381.db2.gz XAZSJOAAOBBKEW-ZETCQYMHSA-N 1 2 225.252 -0.618 20 0 BBADLO C[NH+](C)CC(=O)NCc1nc(O)cc(=O)[nH]1 ZINC000898754445 584156963 /nfs/dbraw/zinc/15/69/63/584156963.db2.gz VSIPNKGJWRQQIH-UHFFFAOYSA-N 1 2 226.236 -0.934 20 0 BBADLO CN1C(=O)CN=C1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000898772163 584157764 /nfs/dbraw/zinc/15/77/64/584157764.db2.gz WNSUEHVQDYZBKM-RNFRBKRXSA-N 1 2 247.258 -0.543 20 0 BBADLO CN1C(=O)CN=C1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000898772163 584157761 /nfs/dbraw/zinc/15/77/61/584157761.db2.gz WNSUEHVQDYZBKM-RNFRBKRXSA-N 1 2 247.258 -0.543 20 0 BBADLO CN1C(=O)CN=C1NC(=O)CCc1[nH]cc[nH+]1 ZINC000898772305 584157920 /nfs/dbraw/zinc/15/79/20/584157920.db2.gz AIHMYLAPJXRLGO-UHFFFAOYSA-N 1 2 235.247 -0.714 20 0 BBADLO CN1C(=O)CN=C1NC(=O)C1([NH+](C)C)CC1 ZINC000898772880 584158461 /nfs/dbraw/zinc/15/84/61/584158461.db2.gz DFXBXMIFWUAJDR-UHFFFAOYSA-N 1 2 224.264 -0.975 20 0 BBADLO C[C@H](CC(=O)NC1=NCC(=O)N1C)n1cc[nH+]c1 ZINC000898774042 584158247 /nfs/dbraw/zinc/15/82/47/584158247.db2.gz SDBBANUDAJGLPF-MRVPVSSYSA-N 1 2 249.274 -0.222 20 0 BBADLO C[C@@H](CC(=O)NC1=NCC(=O)N1C)n1cc[nH+]c1 ZINC000898774043 584158372 /nfs/dbraw/zinc/15/83/72/584158372.db2.gz SDBBANUDAJGLPF-QMMMGPOBSA-N 1 2 249.274 -0.222 20 0 BBADLO Cn1c[nH+]cc1CCC(=O)NC1=NCC(=O)N1C ZINC000898774457 584158387 /nfs/dbraw/zinc/15/83/87/584158387.db2.gz DFDZJXSCRIGHQX-UHFFFAOYSA-N 1 2 249.274 -0.703 20 0 BBADLO CN1C(=O)CN=C1NC(=O)CCc1c[nH]c[nH+]1 ZINC000898774677 584158801 /nfs/dbraw/zinc/15/88/01/584158801.db2.gz IRENALCEBAEVSI-UHFFFAOYSA-N 1 2 235.247 -0.714 20 0 BBADLO CN1C(=O)CN=C1NC(=O)CCc1c[nH+]c[nH]1 ZINC000898774677 584158800 /nfs/dbraw/zinc/15/88/00/584158800.db2.gz IRENALCEBAEVSI-UHFFFAOYSA-N 1 2 235.247 -0.714 20 0 BBADLO CN1C(=O)CN=C1NC(=O)CCCn1cc[nH+]c1 ZINC000898778338 637056618 /nfs/dbraw/zinc/05/66/18/637056618.db2.gz ZQLNAPZTYFFALE-UHFFFAOYSA-N 1 2 249.274 -0.393 20 0 BBADLO CN1C(=O)CN=C1NC(=O)CCn1cc[nH+]c1 ZINC000898779502 637056028 /nfs/dbraw/zinc/05/60/28/637056028.db2.gz UDJJDQMXBRBUIS-UHFFFAOYSA-N 1 2 235.247 -0.783 20 0 BBADLO Cc1ncc(C(=O)N[C@H](CO)c2c[nH+]cn2C)[nH]1 ZINC000898882871 584163881 /nfs/dbraw/zinc/16/38/81/584163881.db2.gz ACIVOAIRMYVMFR-SECBINFHSA-N 1 2 249.274 -0.085 20 0 BBADLO Cc1ncc(C(=O)N[C@@H](CO)c2c[nH+]cn2C)[nH]1 ZINC000898882872 584163739 /nfs/dbraw/zinc/16/37/39/584163739.db2.gz ACIVOAIRMYVMFR-VIFPVBQESA-N 1 2 249.274 -0.085 20 0 BBADLO CCCOCC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898884546 584164324 /nfs/dbraw/zinc/16/43/24/584164324.db2.gz SFJWGTNUXYDTKB-SECBINFHSA-N 1 2 241.291 -0.004 20 0 BBADLO CCCOCC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898884547 584163959 /nfs/dbraw/zinc/16/39/59/584163959.db2.gz SFJWGTNUXYDTKB-VIFPVBQESA-N 1 2 241.291 -0.004 20 0 BBADLO Cc1cc(C(=O)N[C@H](CO)c2c[nH+]cn2C)[nH]n1 ZINC000898885230 584163619 /nfs/dbraw/zinc/16/36/19/584163619.db2.gz WQWICOVFDBAFMK-SECBINFHSA-N 1 2 249.274 -0.085 20 0 BBADLO Cc1cc(C(=O)N[C@@H](CO)c2c[nH+]cn2C)[nH]n1 ZINC000898885232 584164206 /nfs/dbraw/zinc/16/42/06/584164206.db2.gz WQWICOVFDBAFMK-VIFPVBQESA-N 1 2 249.274 -0.085 20 0 BBADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1(C)COC1 ZINC000898890231 637062898 /nfs/dbraw/zinc/06/28/98/637062898.db2.gz VCINEDYNSQUSLS-MRVPVSSYSA-N 1 2 239.275 -0.394 20 0 BBADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C1(C)COC1 ZINC000898890232 584164580 /nfs/dbraw/zinc/16/45/80/584164580.db2.gz VCINEDYNSQUSLS-QMMMGPOBSA-N 1 2 239.275 -0.394 20 0 BBADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1CSC1 ZINC000898893252 584165284 /nfs/dbraw/zinc/16/52/84/584165284.db2.gz ZZSGYSYGZCNSOI-MRVPVSSYSA-N 1 2 241.316 -0.067 20 0 BBADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C1CSC1 ZINC000898893253 584165001 /nfs/dbraw/zinc/16/50/01/584165001.db2.gz ZZSGYSYGZCNSOI-QMMMGPOBSA-N 1 2 241.316 -0.067 20 0 BBADLO CC(=O)NCC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898898734 584165003 /nfs/dbraw/zinc/16/50/03/584165003.db2.gz AMNIPIWFTOLZHQ-UHFFFAOYSA-N 1 2 238.291 -0.130 20 0 BBADLO CNC(=O)CC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898905888 584165485 /nfs/dbraw/zinc/16/54/85/584165485.db2.gz IDQILKTWUIMOCK-UHFFFAOYSA-N 1 2 238.291 -0.130 20 0 BBADLO COC(=O)Cn1cc(C[N@@H+](C)CCCO)nn1 ZINC000898912589 637064245 /nfs/dbraw/zinc/06/42/45/637064245.db2.gz LORWXSBSJPBGKP-UHFFFAOYSA-N 1 2 242.279 -0.735 20 0 BBADLO COC(=O)Cn1cc(C[N@H+](C)CCCO)nn1 ZINC000898912589 637064236 /nfs/dbraw/zinc/06/42/36/637064236.db2.gz LORWXSBSJPBGKP-UHFFFAOYSA-N 1 2 242.279 -0.735 20 0 BBADLO CCn1cc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)nn1 ZINC000899023536 584169131 /nfs/dbraw/zinc/16/91/31/584169131.db2.gz WRVPMGBFEVZLMT-PSASIEDQSA-N 1 2 237.307 -0.088 20 0 BBADLO CCn1cc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)nn1 ZINC000899023537 584169306 /nfs/dbraw/zinc/16/93/06/584169306.db2.gz WRVPMGBFEVZLMT-SCZZXKLOSA-N 1 2 237.307 -0.088 20 0 BBADLO CCn1cc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)nn1 ZINC000899023538 584169285 /nfs/dbraw/zinc/16/92/85/584169285.db2.gz WRVPMGBFEVZLMT-WCBMZHEXSA-N 1 2 237.307 -0.088 20 0 BBADLO CCn1cc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)nn1 ZINC000899023539 584169460 /nfs/dbraw/zinc/16/94/60/584169460.db2.gz WRVPMGBFEVZLMT-WPRPVWTQSA-N 1 2 237.307 -0.088 20 0 BBADLO COCC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899053080 584173352 /nfs/dbraw/zinc/17/33/52/584173352.db2.gz JPILNTFULIBYHK-UHFFFAOYSA-N 1 2 244.291 -0.802 20 0 BBADLO COCC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899053080 584173350 /nfs/dbraw/zinc/17/33/50/584173350.db2.gz JPILNTFULIBYHK-UHFFFAOYSA-N 1 2 244.291 -0.802 20 0 BBADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)C1CC1 ZINC000899053328 584173691 /nfs/dbraw/zinc/17/36/91/584173691.db2.gz NDKIUKPPYMJSRV-UHFFFAOYSA-N 1 2 240.303 -0.039 20 0 BBADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)C1CC1 ZINC000899053328 584173689 /nfs/dbraw/zinc/17/36/89/584173689.db2.gz NDKIUKPPYMJSRV-UHFFFAOYSA-N 1 2 240.303 -0.039 20 0 BBADLO CCn1cc(C[N@@H+](C)CCOCCO)nn1 ZINC000899145312 584176991 /nfs/dbraw/zinc/17/69/91/584176991.db2.gz GYADCPRAIWNBNZ-UHFFFAOYSA-N 1 2 228.296 -0.261 20 0 BBADLO CCn1cc(C[N@H+](C)CCOCCO)nn1 ZINC000899145312 584176988 /nfs/dbraw/zinc/17/69/88/584176988.db2.gz GYADCPRAIWNBNZ-UHFFFAOYSA-N 1 2 228.296 -0.261 20 0 BBADLO CC(C)(C[NH+]1CCOCC1)NC(=O)CO ZINC000899212741 584181889 /nfs/dbraw/zinc/18/18/89/584181889.db2.gz VCIAVMMFRIDJEI-UHFFFAOYSA-N 1 2 216.281 -0.794 20 0 BBADLO O=C(CO)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000899219710 584183616 /nfs/dbraw/zinc/18/36/16/584183616.db2.gz AMYSPOVFJVRHBY-MRVPVSSYSA-N 1 2 204.245 -0.471 20 0 BBADLO O=C(CO)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000899219710 584183615 /nfs/dbraw/zinc/18/36/15/584183615.db2.gz AMYSPOVFJVRHBY-MRVPVSSYSA-N 1 2 204.245 -0.471 20 0 BBADLO O=C(CO)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000899219711 584183537 /nfs/dbraw/zinc/18/35/37/584183537.db2.gz AMYSPOVFJVRHBY-QMMMGPOBSA-N 1 2 204.245 -0.471 20 0 BBADLO O=C(CO)N[C@H]1CCC[N@H+](CCF)C1 ZINC000899219711 584183536 /nfs/dbraw/zinc/18/35/36/584183536.db2.gz AMYSPOVFJVRHBY-QMMMGPOBSA-N 1 2 204.245 -0.471 20 0 BBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CNOC1 ZINC000899241221 584185056 /nfs/dbraw/zinc/18/50/56/584185056.db2.gz ALACNGFCJKUFMD-BDAKNGLRSA-N 1 2 239.279 -0.526 20 0 BBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CNOC1 ZINC000899241223 584184862 /nfs/dbraw/zinc/18/48/62/584184862.db2.gz ALACNGFCJKUFMD-DTWKUNHWSA-N 1 2 239.279 -0.526 20 0 BBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CNOC1 ZINC000899241225 584185257 /nfs/dbraw/zinc/18/52/57/584185257.db2.gz ALACNGFCJKUFMD-IUCAKERBSA-N 1 2 239.279 -0.526 20 0 BBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CNOC1 ZINC000899241227 584185302 /nfs/dbraw/zinc/18/53/02/584185302.db2.gz ALACNGFCJKUFMD-RKDXNWHRSA-N 1 2 239.279 -0.526 20 0 BBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCCCON ZINC000899245558 584186661 /nfs/dbraw/zinc/18/66/61/584186661.db2.gz RMKAGDGWFMNWOJ-SECBINFHSA-N 1 2 241.295 -0.149 20 0 BBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCCON ZINC000899245559 584186693 /nfs/dbraw/zinc/18/66/93/584186693.db2.gz RMKAGDGWFMNWOJ-VIFPVBQESA-N 1 2 241.295 -0.149 20 0 BBADLO Cn1c[nH+]cc1CC(=O)N[C@]12C[C@H]1COC2 ZINC000899246462 584187340 /nfs/dbraw/zinc/18/73/40/584187340.db2.gz QKIUBGOZJNNZGI-KWQFWETISA-N 1 2 221.260 -0.132 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)N[C@]23C[C@H]2COC3)C1 ZINC000899248625 584187829 /nfs/dbraw/zinc/18/78/29/584187829.db2.gz DSOJEVSOGFQPFN-NGZCFLSTSA-N 1 2 226.276 -0.778 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@]23C[C@H]2COC3)C1 ZINC000899248625 584187826 /nfs/dbraw/zinc/18/78/26/584187826.db2.gz DSOJEVSOGFQPFN-NGZCFLSTSA-N 1 2 226.276 -0.778 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)N[C@]23C[C@H]2COC3)C1 ZINC000899248627 584187759 /nfs/dbraw/zinc/18/77/59/584187759.db2.gz DSOJEVSOGFQPFN-QXEWZRGKSA-N 1 2 226.276 -0.778 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)N[C@]23C[C@H]2COC3)C1 ZINC000899248627 584187757 /nfs/dbraw/zinc/18/77/57/584187757.db2.gz DSOJEVSOGFQPFN-QXEWZRGKSA-N 1 2 226.276 -0.778 20 0 BBADLO CONC(=O)CNC(=[NH2+])N1CCC(C)CC1 ZINC000899262424 584190688 /nfs/dbraw/zinc/19/06/88/584190688.db2.gz KPKDNHOIVJMSCX-UHFFFAOYSA-N 1 2 228.296 -0.080 20 0 BBADLO CCONC(=O)CNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899278969 584193118 /nfs/dbraw/zinc/19/31/18/584193118.db2.gz YJOWJTSAKHBIEN-SSDOTTSWSA-N 1 2 228.296 -0.033 20 0 BBADLO CCONC(=O)CNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899278975 584193165 /nfs/dbraw/zinc/19/31/65/584193165.db2.gz YJOWJTSAKHBIEN-ZETCQYMHSA-N 1 2 228.296 -0.033 20 0 BBADLO Cn1nccc1-n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000899364024 584205361 /nfs/dbraw/zinc/20/53/61/584205361.db2.gz JZIDEQMGXZCGLA-SSDOTTSWSA-N 1 2 219.248 -0.268 20 0 BBADLO Cn1nccc1-n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000899364025 584205469 /nfs/dbraw/zinc/20/54/69/584205469.db2.gz JZIDEQMGXZCGLA-ZETCQYMHSA-N 1 2 219.248 -0.268 20 0 BBADLO COCc1cc(=O)n(C2CC[NH2+]CC2)[nH]1 ZINC000899364496 584205095 /nfs/dbraw/zinc/20/50/95/584205095.db2.gz XSPPKWHTJRFRPS-UHFFFAOYSA-N 1 2 211.265 -0.027 20 0 BBADLO C[C@H](C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C)[NH+](C)C ZINC000899449154 584216285 /nfs/dbraw/zinc/21/62/85/584216285.db2.gz ALQKJESGHIWJTB-DJLDLDEBSA-N 1 2 248.348 -0.514 20 0 BBADLO C[C@@H](C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C)[NH+](C)C ZINC000899449155 584216049 /nfs/dbraw/zinc/21/60/49/584216049.db2.gz ALQKJESGHIWJTB-XHNCKOQMSA-N 1 2 248.348 -0.514 20 0 BBADLO Cc1[nH]c(C(=O)NCCN2CCNC2=O)c[nH+]1 ZINC000899472531 584217466 /nfs/dbraw/zinc/21/74/66/584217466.db2.gz VNQUKRGJNNPUKQ-UHFFFAOYSA-N 1 2 237.263 -0.527 20 0 BBADLO CONC(=O)CNC(=S)NCCC[NH+](C)C ZINC000899575620 584220380 /nfs/dbraw/zinc/22/03/80/584220380.db2.gz UCOXWAGWWDCSNK-UHFFFAOYSA-N 1 2 248.352 -0.920 20 0 BBADLO COC(=O)[C@@H](F)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000899677196 584223568 /nfs/dbraw/zinc/22/35/68/584223568.db2.gz FUAWOTQDQSZEDC-ZETCQYMHSA-N 1 2 243.238 -0.030 20 0 BBADLO COC(=O)[C@@H](F)CNC(=O)Cc1c[nH+]cn1C ZINC000899677214 584223754 /nfs/dbraw/zinc/22/37/54/584223754.db2.gz IAGCAIISGPICBN-QMMMGPOBSA-N 1 2 243.238 -0.410 20 0 BBADLO COC(=O)[C@@H](F)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000899677416 584223716 /nfs/dbraw/zinc/22/37/16/584223716.db2.gz XXJMDPZIOAJQRQ-QMMMGPOBSA-N 1 2 243.238 -0.030 20 0 BBADLO COC(=O)[C@@H](F)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000899677416 584223715 /nfs/dbraw/zinc/22/37/15/584223715.db2.gz XXJMDPZIOAJQRQ-QMMMGPOBSA-N 1 2 243.238 -0.030 20 0 BBADLO Cc1n[nH]c(C(=O)NCC[N@@H+](C)CCO)c1C ZINC000899733431 584234966 /nfs/dbraw/zinc/23/49/66/584234966.db2.gz BOXIRXCGPUYUSI-UHFFFAOYSA-N 1 2 240.307 -0.320 20 0 BBADLO Cc1n[nH]c(C(=O)NCC[N@H+](C)CCO)c1C ZINC000899733431 584234965 /nfs/dbraw/zinc/23/49/65/584234965.db2.gz BOXIRXCGPUYUSI-UHFFFAOYSA-N 1 2 240.307 -0.320 20 0 BBADLO C[N@@H+](CCO)CCNC(=O)C(F)C(F)(F)F ZINC000899736850 584231315 /nfs/dbraw/zinc/23/13/15/584231315.db2.gz ALDVYZWJOMVORN-LURJTMIESA-N 1 2 246.204 -0.073 20 0 BBADLO C[N@H+](CCO)CCNC(=O)C(F)C(F)(F)F ZINC000899736850 584231313 /nfs/dbraw/zinc/23/13/13/584231313.db2.gz ALDVYZWJOMVORN-LURJTMIESA-N 1 2 246.204 -0.073 20 0 BBADLO C[N@@H+](CCO)CCNC(=O)[C@H](F)C(F)(F)F ZINC000899736850 584231310 /nfs/dbraw/zinc/23/13/10/584231310.db2.gz ALDVYZWJOMVORN-LURJTMIESA-N 1 2 246.204 -0.073 20 0 BBADLO C[N@H+](CCO)CCNC(=O)[C@H](F)C(F)(F)F ZINC000899736850 584231307 /nfs/dbraw/zinc/23/13/07/584231307.db2.gz ALDVYZWJOMVORN-LURJTMIESA-N 1 2 246.204 -0.073 20 0 BBADLO C[N@@H+](CCO)CCNC(=O)C(F)C(F)(F)F ZINC000899736865 584231421 /nfs/dbraw/zinc/23/14/21/584231421.db2.gz ALDVYZWJOMVORN-ZCFIWIBFSA-N 1 2 246.204 -0.073 20 0 BBADLO C[N@H+](CCO)CCNC(=O)C(F)C(F)(F)F ZINC000899736865 584231420 /nfs/dbraw/zinc/23/14/20/584231420.db2.gz ALDVYZWJOMVORN-ZCFIWIBFSA-N 1 2 246.204 -0.073 20 0 BBADLO C[N@@H+](CCO)CCNC(=O)[C@@H](F)C(F)(F)F ZINC000899736865 584231419 /nfs/dbraw/zinc/23/14/19/584231419.db2.gz ALDVYZWJOMVORN-ZCFIWIBFSA-N 1 2 246.204 -0.073 20 0 BBADLO C[N@H+](CCO)CCNC(=O)[C@@H](F)C(F)(F)F ZINC000899736865 584231418 /nfs/dbraw/zinc/23/14/18/584231418.db2.gz ALDVYZWJOMVORN-ZCFIWIBFSA-N 1 2 246.204 -0.073 20 0 BBADLO COCc1cn(CC[NH+]2CCOCC2)nn1 ZINC000899745325 637133999 /nfs/dbraw/zinc/13/39/99/637133999.db2.gz LUVXMHSOLWZJMC-UHFFFAOYSA-N 1 2 226.280 -0.243 20 0 BBADLO C[N@@H+](CCO)Cc1cn(-c2ncccn2)nn1 ZINC000899745601 637133964 /nfs/dbraw/zinc/13/39/64/637133964.db2.gz RKEMVDOYPBIXOJ-UHFFFAOYSA-N 1 2 234.263 -0.519 20 0 BBADLO C[N@H+](CCO)Cc1cn(-c2ncccn2)nn1 ZINC000899745601 637133958 /nfs/dbraw/zinc/13/39/58/637133958.db2.gz RKEMVDOYPBIXOJ-UHFFFAOYSA-N 1 2 234.263 -0.519 20 0 BBADLO C[C@@H]1[C@H](O)CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000899746171 584235490 /nfs/dbraw/zinc/23/54/90/584235490.db2.gz BWZNHZKOGZJJJG-GMTAPVOTSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1[C@H](O)CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000899746171 584235489 /nfs/dbraw/zinc/23/54/89/584235489.db2.gz BWZNHZKOGZJJJG-GMTAPVOTSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1[C@H](O)CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000899746172 584235289 /nfs/dbraw/zinc/23/52/89/584235289.db2.gz BWZNHZKOGZJJJG-MXWKQRLJSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1[C@H](O)CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000899746172 584235286 /nfs/dbraw/zinc/23/52/86/584235286.db2.gz BWZNHZKOGZJJJG-MXWKQRLJSA-N 1 2 242.319 -0.311 20 0 BBADLO CCn1cc(C[N@@H+](C)CCC(N)=O)nn1 ZINC000899814058 584239489 /nfs/dbraw/zinc/23/94/89/584239489.db2.gz DPQHXSOPXNNPCD-UHFFFAOYSA-N 1 2 211.269 -0.395 20 0 BBADLO CCn1cc(C[N@H+](C)CCC(N)=O)nn1 ZINC000899814058 584239487 /nfs/dbraw/zinc/23/94/87/584239487.db2.gz DPQHXSOPXNNPCD-UHFFFAOYSA-N 1 2 211.269 -0.395 20 0 BBADLO COC(=O)Cn1cc(C[N@@H+](C)[C@H](C)CO)nn1 ZINC000899866991 584243833 /nfs/dbraw/zinc/24/38/33/584243833.db2.gz KGROUFMYSLIJLE-MRVPVSSYSA-N 1 2 242.279 -0.736 20 0 BBADLO COC(=O)Cn1cc(C[N@H+](C)[C@H](C)CO)nn1 ZINC000899866991 584243831 /nfs/dbraw/zinc/24/38/31/584243831.db2.gz KGROUFMYSLIJLE-MRVPVSSYSA-N 1 2 242.279 -0.736 20 0 BBADLO CCn1cc(C[N@H+]2C[C@@H](O)[C@H](OC)C2)nn1 ZINC000899867852 584243661 /nfs/dbraw/zinc/24/36/61/584243661.db2.gz YCAHTNJCLWAIKI-NXEZZACHSA-N 1 2 226.280 -0.511 20 0 BBADLO CCn1cc(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)nn1 ZINC000899867852 584243660 /nfs/dbraw/zinc/24/36/60/584243660.db2.gz YCAHTNJCLWAIKI-NXEZZACHSA-N 1 2 226.280 -0.511 20 0 BBADLO CCn1cc(C[N@@H+](CCO)C[C@@H](C)O)nn1 ZINC000899869062 584243800 /nfs/dbraw/zinc/24/38/00/584243800.db2.gz SGNVLLXPNQJURI-SECBINFHSA-N 1 2 228.296 -0.527 20 0 BBADLO CCn1cc(C[N@H+](CCO)C[C@@H](C)O)nn1 ZINC000899869062 584243798 /nfs/dbraw/zinc/24/37/98/584243798.db2.gz SGNVLLXPNQJURI-SECBINFHSA-N 1 2 228.296 -0.527 20 0 BBADLO CCn1cc(C[N@@H+](CCO)C[C@H](C)O)nn1 ZINC000899869063 584244000 /nfs/dbraw/zinc/24/40/00/584244000.db2.gz SGNVLLXPNQJURI-VIFPVBQESA-N 1 2 228.296 -0.527 20 0 BBADLO CCn1cc(C[N@H+](CCO)C[C@H](C)O)nn1 ZINC000899869063 584243999 /nfs/dbraw/zinc/24/39/99/584243999.db2.gz SGNVLLXPNQJURI-VIFPVBQESA-N 1 2 228.296 -0.527 20 0 BBADLO CCn1cc(C[N@@H+](C)CCNC(C)=O)nn1 ZINC000899873707 584245374 /nfs/dbraw/zinc/24/53/74/584245374.db2.gz DXBOXPCOYYFBKQ-UHFFFAOYSA-N 1 2 225.296 -0.134 20 0 BBADLO CCn1cc(C[N@H+](C)CCNC(C)=O)nn1 ZINC000899873707 584245373 /nfs/dbraw/zinc/24/53/73/584245373.db2.gz DXBOXPCOYYFBKQ-UHFFFAOYSA-N 1 2 225.296 -0.134 20 0 BBADLO COCCOC1C[NH+](C[C@@H](O)C2(O)CCC2)C1 ZINC000899882181 584246477 /nfs/dbraw/zinc/24/64/77/584246477.db2.gz ZTIUHYKLGGJSSJ-LLVKDONJSA-N 1 2 245.319 -0.391 20 0 BBADLO COCCOC1C[NH+](C[C@H](O)C2(O)CCC2)C1 ZINC000899882182 584246615 /nfs/dbraw/zinc/24/66/15/584246615.db2.gz ZTIUHYKLGGJSSJ-NSHDSACASA-N 1 2 245.319 -0.391 20 0 BBADLO CCn1cc(C[N@@H+]2CCC(=O)N(C)CC2)nn1 ZINC000899882538 584247000 /nfs/dbraw/zinc/24/70/00/584247000.db2.gz MVGWMZATEVSYBV-UHFFFAOYSA-N 1 2 237.307 -0.038 20 0 BBADLO CCn1cc(C[N@H+]2CCC(=O)N(C)CC2)nn1 ZINC000899882538 584246997 /nfs/dbraw/zinc/24/69/97/584246997.db2.gz MVGWMZATEVSYBV-UHFFFAOYSA-N 1 2 237.307 -0.038 20 0 BBADLO CCn1cc(C[N@H+]2C[C@H](O)C[C@]2(C)CO)nn1 ZINC000899886220 637147614 /nfs/dbraw/zinc/14/76/14/637147614.db2.gz MWKZBLAWAUAYEH-GHMZBOCLSA-N 1 2 240.307 -0.384 20 0 BBADLO CCn1cc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)nn1 ZINC000899886220 637147609 /nfs/dbraw/zinc/14/76/09/637147609.db2.gz MWKZBLAWAUAYEH-GHMZBOCLSA-N 1 2 240.307 -0.384 20 0 BBADLO CCn1cc(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)nn1 ZINC000899886221 637148347 /nfs/dbraw/zinc/14/83/47/637148347.db2.gz MWKZBLAWAUAYEH-MNOVXSKESA-N 1 2 240.307 -0.384 20 0 BBADLO CCn1cc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)nn1 ZINC000899886221 637148345 /nfs/dbraw/zinc/14/83/45/637148345.db2.gz MWKZBLAWAUAYEH-MNOVXSKESA-N 1 2 240.307 -0.384 20 0 BBADLO CCn1cc(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)nn1 ZINC000899886223 637148030 /nfs/dbraw/zinc/14/80/30/637148030.db2.gz MWKZBLAWAUAYEH-QWRGUYRKSA-N 1 2 240.307 -0.384 20 0 BBADLO CCn1cc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)nn1 ZINC000899886223 637148026 /nfs/dbraw/zinc/14/80/26/637148026.db2.gz MWKZBLAWAUAYEH-QWRGUYRKSA-N 1 2 240.307 -0.384 20 0 BBADLO CCn1cc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)nn1 ZINC000899886226 637148256 /nfs/dbraw/zinc/14/82/56/637148256.db2.gz MWKZBLAWAUAYEH-WDEREUQCSA-N 1 2 240.307 -0.384 20 0 BBADLO CCn1cc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)nn1 ZINC000899886226 637148253 /nfs/dbraw/zinc/14/82/53/637148253.db2.gz MWKZBLAWAUAYEH-WDEREUQCSA-N 1 2 240.307 -0.384 20 0 BBADLO C[N@@H+](C[C@@H](O)COCCc1c[nH]nn1)C1CC1 ZINC000899888150 584247433 /nfs/dbraw/zinc/24/74/33/584247433.db2.gz IGWAXLIPKMNLKF-LLVKDONJSA-N 1 2 240.307 -0.181 20 0 BBADLO C[N@H+](C[C@@H](O)COCCc1c[nH]nn1)C1CC1 ZINC000899888150 584247432 /nfs/dbraw/zinc/24/74/32/584247432.db2.gz IGWAXLIPKMNLKF-LLVKDONJSA-N 1 2 240.307 -0.181 20 0 BBADLO C[N@@H+](C[C@H](O)COCCc1c[nH]nn1)C1CC1 ZINC000899888151 584247429 /nfs/dbraw/zinc/24/74/29/584247429.db2.gz IGWAXLIPKMNLKF-NSHDSACASA-N 1 2 240.307 -0.181 20 0 BBADLO C[N@H+](C[C@H](O)COCCc1c[nH]nn1)C1CC1 ZINC000899888151 584247428 /nfs/dbraw/zinc/24/74/28/584247428.db2.gz IGWAXLIPKMNLKF-NSHDSACASA-N 1 2 240.307 -0.181 20 0 BBADLO CCn1cc(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)nn1 ZINC000899888303 584247413 /nfs/dbraw/zinc/24/74/13/584247413.db2.gz HORKTKDOQNQFBG-PSASIEDQSA-N 1 2 236.275 -0.097 20 0 BBADLO CCn1cc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)nn1 ZINC000899888303 584247412 /nfs/dbraw/zinc/24/74/12/584247412.db2.gz HORKTKDOQNQFBG-PSASIEDQSA-N 1 2 236.275 -0.097 20 0 BBADLO CCn1cc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)nn1 ZINC000899888332 584247752 /nfs/dbraw/zinc/24/77/52/584247752.db2.gz JVRDJIPDPFPKAO-PSASIEDQSA-N 1 2 208.265 -0.135 20 0 BBADLO CCn1cc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)nn1 ZINC000899888332 584247751 /nfs/dbraw/zinc/24/77/51/584247751.db2.gz JVRDJIPDPFPKAO-PSASIEDQSA-N 1 2 208.265 -0.135 20 0 BBADLO CCn1cc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)nn1 ZINC000899888338 584247359 /nfs/dbraw/zinc/24/73/59/584247359.db2.gz JVRDJIPDPFPKAO-WPRPVWTQSA-N 1 2 208.265 -0.135 20 0 BBADLO CCn1cc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)nn1 ZINC000899888338 584247358 /nfs/dbraw/zinc/24/73/58/584247358.db2.gz JVRDJIPDPFPKAO-WPRPVWTQSA-N 1 2 208.265 -0.135 20 0 BBADLO CC[N@@H+](C)C[C@H](O)COCCc1c[nH]nn1 ZINC000899888438 584247308 /nfs/dbraw/zinc/24/73/08/584247308.db2.gz IZOYELFZLTYHAA-JTQLQIEISA-N 1 2 228.296 -0.324 20 0 BBADLO CC[N@H+](C)C[C@H](O)COCCc1c[nH]nn1 ZINC000899888438 584247306 /nfs/dbraw/zinc/24/73/06/584247306.db2.gz IZOYELFZLTYHAA-JTQLQIEISA-N 1 2 228.296 -0.324 20 0 BBADLO CC[N@@H+](C)C[C@@H](O)COCCc1c[nH]nn1 ZINC000899888439 584247791 /nfs/dbraw/zinc/24/77/91/584247791.db2.gz IZOYELFZLTYHAA-SNVBAGLBSA-N 1 2 228.296 -0.324 20 0 BBADLO CC[N@H+](C)C[C@@H](O)COCCc1c[nH]nn1 ZINC000899888439 584247790 /nfs/dbraw/zinc/24/77/90/584247790.db2.gz IZOYELFZLTYHAA-SNVBAGLBSA-N 1 2 228.296 -0.324 20 0 BBADLO O=C1NCC2(C[NH+](C[C@@H](O)C3(O)CCC3)C2)O1 ZINC000899888674 584247729 /nfs/dbraw/zinc/24/77/29/584247729.db2.gz MLHYTLFKJAEGGM-MRVPVSSYSA-N 1 2 242.275 -0.944 20 0 BBADLO O=C1NCC2(C[NH+](C[C@H](O)C3(O)CCC3)C2)O1 ZINC000899888675 584247153 /nfs/dbraw/zinc/24/71/53/584247153.db2.gz MLHYTLFKJAEGGM-QMMMGPOBSA-N 1 2 242.275 -0.944 20 0 BBADLO C[NH+]1CCN(C(=O)c2n[nH]cc2F)CC1 ZINC000899904211 584250928 /nfs/dbraw/zinc/25/09/28/584250928.db2.gz GLUDEHCFEUOHRH-UHFFFAOYSA-N 1 2 212.228 -0.064 20 0 BBADLO CSC[C@H](O)C[NH+]1CC2(C1)CCNC(=O)O2 ZINC000899907725 637151991 /nfs/dbraw/zinc/15/19/91/637151991.db2.gz HFWQGRYXUVOXSE-MRVPVSSYSA-N 1 2 246.332 -0.105 20 0 BBADLO CSC[C@@H](O)C[NH+]1CC2(C1)CCNC(=O)O2 ZINC000899907726 637152366 /nfs/dbraw/zinc/15/23/66/637152366.db2.gz HFWQGRYXUVOXSE-QMMMGPOBSA-N 1 2 246.332 -0.105 20 0 BBADLO CCOC[C@H](O)C[NH+]1CC2(C1)CCNC(=O)O2 ZINC000899908112 584251713 /nfs/dbraw/zinc/25/17/13/584251713.db2.gz JOSBWYAXEXMFGA-SECBINFHSA-N 1 2 244.291 -0.432 20 0 BBADLO CCOC[C@@H](O)C[NH+]1CC2(C1)CCNC(=O)O2 ZINC000899908113 584252024 /nfs/dbraw/zinc/25/20/24/584252024.db2.gz JOSBWYAXEXMFGA-VIFPVBQESA-N 1 2 244.291 -0.432 20 0 BBADLO C[C@@H](O)C[NH+]1CC2(C1)CCNC(=O)O2 ZINC000899908769 584249501 /nfs/dbraw/zinc/24/95/01/584249501.db2.gz PQGVIUPFBKZFIY-SSDOTTSWSA-N 1 2 200.238 -0.449 20 0 BBADLO C[C@H](O)C[NH+]1CC2(C1)CCNC(=O)O2 ZINC000899908770 584249710 /nfs/dbraw/zinc/24/97/10/584249710.db2.gz PQGVIUPFBKZFIY-ZETCQYMHSA-N 1 2 200.238 -0.449 20 0 BBADLO COC[C@H](O)C[NH+]1CC2(C1)CCNC(=O)O2 ZINC000899908986 584249541 /nfs/dbraw/zinc/24/95/41/584249541.db2.gz UUHHKVYMWDTSAN-MRVPVSSYSA-N 1 2 230.264 -0.822 20 0 BBADLO COC[C@@H](O)C[NH+]1CC2(C1)CCNC(=O)O2 ZINC000899908987 584249451 /nfs/dbraw/zinc/24/94/51/584249451.db2.gz UUHHKVYMWDTSAN-QMMMGPOBSA-N 1 2 230.264 -0.822 20 0 BBADLO NC(=O)CC[NH+]1CC2(C1)CCNC(=O)O2 ZINC000899909190 584249407 /nfs/dbraw/zinc/24/94/07/584249407.db2.gz WUKJQFFIESODQK-UHFFFAOYSA-N 1 2 213.237 -0.954 20 0 BBADLO CC(=O)c1cn(C2C[NH+](C[C@@H](C)O)C2)nn1 ZINC000899912544 584253757 /nfs/dbraw/zinc/25/37/57/584253757.db2.gz KKOLLNNWTLCXKJ-SSDOTTSWSA-N 1 2 224.264 -0.282 20 0 BBADLO CC(=O)c1cn(C2C[NH+](C[C@H](C)O)C2)nn1 ZINC000899912545 584253476 /nfs/dbraw/zinc/25/34/76/584253476.db2.gz KKOLLNNWTLCXKJ-ZETCQYMHSA-N 1 2 224.264 -0.282 20 0 BBADLO C/C(=C\C(=O)NCCO)C[NH+]1CCOCC1 ZINC000899914950 637154338 /nfs/dbraw/zinc/15/43/38/637154338.db2.gz OXJFVMUGEOMVBV-CSKARUKUSA-N 1 2 228.292 -0.627 20 0 BBADLO C/C(=C/C(=O)NCCO)C[NH+]1CCOCC1 ZINC000899914951 637155834 /nfs/dbraw/zinc/15/58/34/637155834.db2.gz OXJFVMUGEOMVBV-NTMALXAHSA-N 1 2 228.292 -0.627 20 0 BBADLO CC(C)(O)[C@H](O)C(=O)NCCCn1cc[nH+]c1 ZINC000899920233 584252150 /nfs/dbraw/zinc/25/21/50/584252150.db2.gz FJSQFAKVKALDHF-SECBINFHSA-N 1 2 241.291 -0.479 20 0 BBADLO CC(C)(O)[C@@H](O)C(=O)NCCCn1cc[nH+]c1 ZINC000899920235 584252194 /nfs/dbraw/zinc/25/21/94/584252194.db2.gz FJSQFAKVKALDHF-VIFPVBQESA-N 1 2 241.291 -0.479 20 0 BBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000899921259 584256743 /nfs/dbraw/zinc/25/67/43/584256743.db2.gz UFRZUHMWROVBPA-BDAKNGLRSA-N 1 2 236.275 -0.489 20 0 BBADLO CC[C@@H](O)[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000899928647 584255907 /nfs/dbraw/zinc/25/59/07/584255907.db2.gz LUACMXBGMYADAV-GHMZBOCLSA-N 1 2 244.335 -0.158 20 0 BBADLO CC[C@H](O)[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000899928648 584256267 /nfs/dbraw/zinc/25/62/67/584256267.db2.gz LUACMXBGMYADAV-MNOVXSKESA-N 1 2 244.335 -0.158 20 0 BBADLO CC[C@H](O)[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000899928649 584256001 /nfs/dbraw/zinc/25/60/01/584256001.db2.gz LUACMXBGMYADAV-QWRGUYRKSA-N 1 2 244.335 -0.158 20 0 BBADLO CC[C@@H](O)[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000899928650 584255843 /nfs/dbraw/zinc/25/58/43/584255843.db2.gz LUACMXBGMYADAV-WDEREUQCSA-N 1 2 244.335 -0.158 20 0 BBADLO O=C(CCF)NCC[NH+]1CCOCC1 ZINC000899928975 584256011 /nfs/dbraw/zinc/25/60/11/584256011.db2.gz XORUJGUASBPABB-UHFFFAOYSA-N 1 2 204.245 -0.206 20 0 BBADLO O=C(CNc1cccc[nH+]1)N1CCNC(=O)C1 ZINC000899952281 584259965 /nfs/dbraw/zinc/25/99/65/584259965.db2.gz ZFNQIQKYTSXVND-UHFFFAOYSA-N 1 2 234.259 -0.548 20 0 BBADLO CC(=O)NCCNC(=O)CNc1cccc[nH+]1 ZINC000899957010 584260737 /nfs/dbraw/zinc/26/07/37/584260737.db2.gz MAHMSWZTBAGJOE-UHFFFAOYSA-N 1 2 236.275 -0.254 20 0 BBADLO CNC(=O)CNC(=O)CNc1cccc[nH+]1 ZINC000899974706 584261733 /nfs/dbraw/zinc/26/17/33/584261733.db2.gz CGTHMOHDSYDMSR-UHFFFAOYSA-N 1 2 222.248 -0.644 20 0 BBADLO CN(C)C(=O)C[NH+]1CCN(C(=O)CCF)CC1 ZINC000899977315 584262752 /nfs/dbraw/zinc/26/27/52/584262752.db2.gz NBOVUDRAAVMOEJ-UHFFFAOYSA-N 1 2 245.298 -0.422 20 0 BBADLO CNC(=O)CN(C)C(=O)CNc1cccc[nH+]1 ZINC000899981429 584262425 /nfs/dbraw/zinc/26/24/25/584262425.db2.gz VDAKFSSDIIFVML-UHFFFAOYSA-N 1 2 236.275 -0.302 20 0 BBADLO O=C(CNc1cccc[nH+]1)NCC(=O)NC1CC1 ZINC000899989748 637162561 /nfs/dbraw/zinc/16/25/61/637162561.db2.gz AUUIEFLZLPYBGF-UHFFFAOYSA-N 1 2 248.286 -0.112 20 0 BBADLO CN(C)C(=O)CNC(=O)CNc1cccc[nH+]1 ZINC000900003352 584263196 /nfs/dbraw/zinc/26/31/96/584263196.db2.gz HFYRYVLQUYARIN-UHFFFAOYSA-N 1 2 236.275 -0.302 20 0 BBADLO CCNC(=O)CNC(=O)CNc1cccc[nH+]1 ZINC000900003886 637164567 /nfs/dbraw/zinc/16/45/67/637164567.db2.gz LJMITVZKZHMVIU-UHFFFAOYSA-N 1 2 236.275 -0.254 20 0 BBADLO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC1=NCCS1 ZINC000900005666 584264182 /nfs/dbraw/zinc/26/41/82/584264182.db2.gz FNQDYVROTPGKOW-GMSGAONNSA-N 1 2 243.332 -0.340 20 0 BBADLO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC1=NCCS1 ZINC000900005666 584264181 /nfs/dbraw/zinc/26/41/81/584264181.db2.gz FNQDYVROTPGKOW-GMSGAONNSA-N 1 2 243.332 -0.340 20 0 BBADLO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NC1=NCCS1 ZINC000900005667 584264077 /nfs/dbraw/zinc/26/40/77/584264077.db2.gz FNQDYVROTPGKOW-OIBJUYFYSA-N 1 2 243.332 -0.340 20 0 BBADLO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NC1=NCCS1 ZINC000900005667 584264076 /nfs/dbraw/zinc/26/40/76/584264076.db2.gz FNQDYVROTPGKOW-OIBJUYFYSA-N 1 2 243.332 -0.340 20 0 BBADLO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC1=NCCS1 ZINC000900005668 584264295 /nfs/dbraw/zinc/26/42/95/584264295.db2.gz FNQDYVROTPGKOW-XCBNKYQSSA-N 1 2 243.332 -0.340 20 0 BBADLO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC1=NCCS1 ZINC000900005668 584264293 /nfs/dbraw/zinc/26/42/93/584264293.db2.gz FNQDYVROTPGKOW-XCBNKYQSSA-N 1 2 243.332 -0.340 20 0 BBADLO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NC1=NCCS1 ZINC000900005669 584264318 /nfs/dbraw/zinc/26/43/18/584264318.db2.gz FNQDYVROTPGKOW-XVKPBYJWSA-N 1 2 243.332 -0.340 20 0 BBADLO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NC1=NCCS1 ZINC000900005669 584264316 /nfs/dbraw/zinc/26/43/16/584264316.db2.gz FNQDYVROTPGKOW-XVKPBYJWSA-N 1 2 243.332 -0.340 20 0 BBADLO CC(C)NC(=O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900006932 584264283 /nfs/dbraw/zinc/26/42/83/584264283.db2.gz DOIJQGCGYLRBDK-UHFFFAOYSA-N 1 2 238.291 -0.065 20 0 BBADLO C[C@@H](NC(=O)CNc1cccc[nH+]1)C(N)=O ZINC000900040518 584268229 /nfs/dbraw/zinc/26/82/29/584268229.db2.gz YFZFMKWDFCEOPN-SSDOTTSWSA-N 1 2 222.248 -0.517 20 0 BBADLO C[C@H](NC(=O)CNc1cccc[nH+]1)C(N)=O ZINC000900040519 584268026 /nfs/dbraw/zinc/26/80/26/584268026.db2.gz YFZFMKWDFCEOPN-ZETCQYMHSA-N 1 2 222.248 -0.517 20 0 BBADLO COC(=O)[C@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900101441 584271509 /nfs/dbraw/zinc/27/15/09/584271509.db2.gz CMSCXHQNGMWURC-LURJTMIESA-N 1 2 211.221 -0.370 20 0 BBADLO COC(=O)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900101441 584271507 /nfs/dbraw/zinc/27/15/07/584271507.db2.gz CMSCXHQNGMWURC-LURJTMIESA-N 1 2 211.221 -0.370 20 0 BBADLO COC(=O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900102346 584271560 /nfs/dbraw/zinc/27/15/60/584271560.db2.gz UUWUZHSMOASPME-UHFFFAOYSA-N 1 2 211.221 -0.416 20 0 BBADLO COC(=O)CCNC(=O)Cc1c[nH+]c[nH]1 ZINC000900102473 584272112 /nfs/dbraw/zinc/27/21/12/584272112.db2.gz ZHMZHVFYXYWCRB-UHFFFAOYSA-N 1 2 211.221 -0.369 20 0 BBADLO COC(=O)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900102473 584272111 /nfs/dbraw/zinc/27/21/11/584272111.db2.gz ZHMZHVFYXYWCRB-UHFFFAOYSA-N 1 2 211.221 -0.369 20 0 BBADLO CONC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900105964 584276102 /nfs/dbraw/zinc/27/61/02/584276102.db2.gz ZJAACBMSXBHYCZ-CLFYSBASSA-N 1 2 214.265 -0.058 20 0 BBADLO CONC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900105965 584276093 /nfs/dbraw/zinc/27/60/93/584276093.db2.gz ZJAACBMSXBHYCZ-VQHVLOKHSA-N 1 2 214.265 -0.058 20 0 BBADLO CC(C)CN(CC(N)=O)C(=O)Cc1c[nH+]c[nH]1 ZINC000900118865 584274883 /nfs/dbraw/zinc/27/48/83/584274883.db2.gz IAEUHVBEPPZSHM-UHFFFAOYSA-N 1 2 238.291 -0.078 20 0 BBADLO O=C(CNc1cccc[nH+]1)NCCCO ZINC000900144499 584277339 /nfs/dbraw/zinc/27/73/39/584277339.db2.gz GQFCEVWEFZDXNP-UHFFFAOYSA-N 1 2 209.249 -0.008 20 0 BBADLO CN(CCO)C(=O)CNc1cccc[nH+]1 ZINC000900144821 584277724 /nfs/dbraw/zinc/27/77/24/584277724.db2.gz PGPRXMOUTRGJEY-UHFFFAOYSA-N 1 2 209.249 -0.056 20 0 BBADLO C/C(=C/C(=O)NCCCO)C[NH+]1CCOCC1 ZINC000900145011 584277656 /nfs/dbraw/zinc/27/76/56/584277656.db2.gz WNRIGRPGKCNFRB-LUAWRHEFSA-N 1 2 242.319 -0.237 20 0 BBADLO C/C(=C\C(=O)NCCCO)C[NH+]1CCOCC1 ZINC000900145012 584277914 /nfs/dbraw/zinc/27/79/14/584277914.db2.gz WNRIGRPGKCNFRB-PKNBQFBNSA-N 1 2 242.319 -0.237 20 0 BBADLO C/C(=C/C(=O)N(C)CCO)C[NH+]1CCOCC1 ZINC000900145040 584277942 /nfs/dbraw/zinc/27/79/42/584277942.db2.gz XMNNMEFWNOUPAP-LUAWRHEFSA-N 1 2 242.319 -0.284 20 0 BBADLO C/C(=C\C(=O)N(C)CCO)C[NH+]1CCOCC1 ZINC000900145041 584278089 /nfs/dbraw/zinc/27/80/89/584278089.db2.gz XMNNMEFWNOUPAP-PKNBQFBNSA-N 1 2 242.319 -0.284 20 0 BBADLO C[C@@H](O)CNC(=O)CNc1cccc[nH+]1 ZINC000900146861 584278747 /nfs/dbraw/zinc/27/87/47/584278747.db2.gz RHYSRTOIOCTYRA-MRVPVSSYSA-N 1 2 209.249 -0.010 20 0 BBADLO C[C@H](O)CNC(=O)CNc1cccc[nH+]1 ZINC000900146863 584278323 /nfs/dbraw/zinc/27/83/23/584278323.db2.gz RHYSRTOIOCTYRA-QMMMGPOBSA-N 1 2 209.249 -0.010 20 0 BBADLO C/C=C\[C@@H](O)C(=O)N1CC[NH+](CCO)CC1 ZINC000900147027 584278516 /nfs/dbraw/zinc/27/85/16/584278516.db2.gz GXFYCBKGTRXGAH-MXQLGCADSA-N 1 2 228.292 -0.940 20 0 BBADLO C/C=C/[C@H](O)C(=O)N1CC[NH+](CCO)CC1 ZINC000900147028 584278625 /nfs/dbraw/zinc/27/86/25/584278625.db2.gz GXFYCBKGTRXGAH-PBKGFPTLSA-N 1 2 228.292 -0.940 20 0 BBADLO C/C=C/[C@@H](O)C(=O)N1CC[NH+](CCO)CC1 ZINC000900147029 584278557 /nfs/dbraw/zinc/27/85/57/584278557.db2.gz GXFYCBKGTRXGAH-VMZHVLLKSA-N 1 2 228.292 -0.940 20 0 BBADLO C/C=C\[C@H](O)C(=O)N1CC[NH+](CCO)CC1 ZINC000900147030 584278851 /nfs/dbraw/zinc/27/88/51/584278851.db2.gz GXFYCBKGTRXGAH-ZMWSMAPVSA-N 1 2 228.292 -0.940 20 0 BBADLO CC[C@@H](O)[C@@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000900147142 584278703 /nfs/dbraw/zinc/27/87/03/584278703.db2.gz JZSCAWZOYDAIHI-GHMZBOCLSA-N 1 2 244.335 -0.470 20 0 BBADLO CC[C@H](O)[C@@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000900147143 584278856 /nfs/dbraw/zinc/27/88/56/584278856.db2.gz JZSCAWZOYDAIHI-MNOVXSKESA-N 1 2 244.335 -0.470 20 0 BBADLO CC[C@H](O)[C@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000900147144 584278784 /nfs/dbraw/zinc/27/87/84/584278784.db2.gz JZSCAWZOYDAIHI-QWRGUYRKSA-N 1 2 244.335 -0.470 20 0 BBADLO CC[C@@H](O)[C@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000900147145 584278830 /nfs/dbraw/zinc/27/88/30/584278830.db2.gz JZSCAWZOYDAIHI-WDEREUQCSA-N 1 2 244.335 -0.470 20 0 BBADLO O=C(c1n[nH]cc1F)N1CC[NH+](CCO)CC1 ZINC000900147363 584278563 /nfs/dbraw/zinc/27/85/63/584278563.db2.gz LTECSIWLSXIWGG-UHFFFAOYSA-N 1 2 242.254 -0.701 20 0 BBADLO C/C(=C/C(=O)NC[C@H](C)O)C[NH+]1CCOCC1 ZINC000900147391 584279302 /nfs/dbraw/zinc/27/93/02/584279302.db2.gz ZOAYMPBXWNUAMQ-BRNRAETOSA-N 1 2 242.319 -0.238 20 0 BBADLO C/C(=C\C(=O)NC[C@H](C)O)C[NH+]1CCOCC1 ZINC000900147392 584279327 /nfs/dbraw/zinc/27/93/27/584279327.db2.gz ZOAYMPBXWNUAMQ-HUYFXPKMSA-N 1 2 242.319 -0.238 20 0 BBADLO C/C(=C\C(=O)NC[C@@H](C)O)C[NH+]1CCOCC1 ZINC000900147393 584279391 /nfs/dbraw/zinc/27/93/91/584279391.db2.gz ZOAYMPBXWNUAMQ-PFEDMVJOSA-N 1 2 242.319 -0.238 20 0 BBADLO C/C(=C/C(=O)NC[C@@H](C)O)C[NH+]1CCOCC1 ZINC000900147394 584279340 /nfs/dbraw/zinc/27/93/40/584279340.db2.gz ZOAYMPBXWNUAMQ-ZJRUKIMVSA-N 1 2 242.319 -0.238 20 0 BBADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H](O)C1 ZINC000900147406 584278332 /nfs/dbraw/zinc/27/83/32/584278332.db2.gz MEPXTCXBWWJRKR-SECBINFHSA-N 1 2 209.249 -0.065 20 0 BBADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H](O)C1 ZINC000900147413 584278713 /nfs/dbraw/zinc/27/87/13/584278713.db2.gz MEPXTCXBWWJRKR-VIFPVBQESA-N 1 2 209.249 -0.065 20 0 BBADLO C/C(=C/C(=O)N[C@@H](C)CO)C[NH+]1CCOCC1 ZINC000900149781 584279937 /nfs/dbraw/zinc/27/99/37/584279937.db2.gz AUIUGURUAJUFEH-BRNRAETOSA-N 1 2 242.319 -0.238 20 0 BBADLO C/C(=C\C(=O)N[C@@H](C)CO)C[NH+]1CCOCC1 ZINC000900149782 584279803 /nfs/dbraw/zinc/27/98/03/584279803.db2.gz AUIUGURUAJUFEH-HUYFXPKMSA-N 1 2 242.319 -0.238 20 0 BBADLO C/C(=C\C(=O)N[C@H](C)CO)C[NH+]1CCOCC1 ZINC000900149783 584279662 /nfs/dbraw/zinc/27/96/62/584279662.db2.gz AUIUGURUAJUFEH-PFEDMVJOSA-N 1 2 242.319 -0.238 20 0 BBADLO C/C(=C/C(=O)N[C@H](C)CO)C[NH+]1CCOCC1 ZINC000900149784 584279906 /nfs/dbraw/zinc/27/99/06/584279906.db2.gz AUIUGURUAJUFEH-ZJRUKIMVSA-N 1 2 242.319 -0.238 20 0 BBADLO C[C@H](CO)NC(=O)CNc1cccc[nH+]1 ZINC000900150010 584279924 /nfs/dbraw/zinc/27/99/24/584279924.db2.gz DKFJDADNAUXGGK-MRVPVSSYSA-N 1 2 209.249 -0.010 20 0 BBADLO C[C@@H](CO)NC(=O)CNc1cccc[nH+]1 ZINC000900150011 584280043 /nfs/dbraw/zinc/28/00/43/584280043.db2.gz DKFJDADNAUXGGK-QMMMGPOBSA-N 1 2 209.249 -0.010 20 0 BBADLO C[C@@H]1NC(=O)N(Cc2cn(C)c[nH+]2)C1=O ZINC000900157316 584280625 /nfs/dbraw/zinc/28/06/25/584280625.db2.gz ISRFMDAOSKQXNL-LURJTMIESA-N 1 2 208.221 -0.140 20 0 BBADLO C[C@H]1NC(=O)N(Cc2cn(C)c[nH+]2)C1=O ZINC000900157317 584280355 /nfs/dbraw/zinc/28/03/55/584280355.db2.gz ISRFMDAOSKQXNL-ZCFIWIBFSA-N 1 2 208.221 -0.140 20 0 BBADLO NC(=O)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900159488 584280483 /nfs/dbraw/zinc/28/04/83/584280483.db2.gz HZULWMKHVVYBOI-SECBINFHSA-N 1 2 236.275 -0.181 20 0 BBADLO NC(=O)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900159489 584280549 /nfs/dbraw/zinc/28/05/49/584280549.db2.gz HZULWMKHVVYBOI-VIFPVBQESA-N 1 2 236.275 -0.181 20 0 BBADLO O=C(Cc1c[nH+]c[nH]1)NCCNc1ncccn1 ZINC000900182401 584282899 /nfs/dbraw/zinc/28/28/99/584282899.db2.gz YFXLGFUBZPDGCL-UHFFFAOYSA-N 1 2 246.274 -0.030 20 0 BBADLO O=C(Cc1c[nH]c[nH+]1)NCCNc1ncccn1 ZINC000900182401 584282897 /nfs/dbraw/zinc/28/28/97/584282897.db2.gz YFXLGFUBZPDGCL-UHFFFAOYSA-N 1 2 246.274 -0.030 20 0 BBADLO C/C=C/[C@@H](O)C(=O)NCCn1cc[nH+]c1 ZINC000900193588 584284969 /nfs/dbraw/zinc/28/49/69/584284969.db2.gz OACXISWVSXNDTD-GKQMSVHHSA-N 1 2 209.249 -0.064 20 0 BBADLO C/C=C/[C@H](O)C(=O)NCCn1cc[nH+]c1 ZINC000900193589 584284583 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UNYHTWCOULGXEH-ZETCQYMHSA-N 1 2 222.248 -0.701 20 0 BBADLO O=C(CNc1cccc[nH+]1)N1CCNC(=O)CC1 ZINC000900555155 584322334 /nfs/dbraw/zinc/32/23/34/584322334.db2.gz VFJIZEBTDCJTNJ-UHFFFAOYSA-N 1 2 248.286 -0.158 20 0 BBADLO CC1(C)C(=O)NCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900556651 584328305 /nfs/dbraw/zinc/32/83/05/584328305.db2.gz FTRNIXNMJPRSIP-UHFFFAOYSA-N 1 2 236.275 -0.311 20 0 BBADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000900560157 584328827 /nfs/dbraw/zinc/32/88/27/584328827.db2.gz CNGKZFOJZKTWFD-NKWVEPMBSA-N 1 2 222.248 -0.842 20 0 BBADLO C/C=C/[C@@H](O)C(=O)NCc1[nH+]ccn1C ZINC000900562253 584324818 /nfs/dbraw/zinc/32/48/18/584324818.db2.gz LRZZBLHNUGMEPE-MPJRPATESA-N 1 2 209.249 -0.027 20 0 BBADLO C/C=C/[C@H](O)C(=O)NCc1[nH+]ccn1C ZINC000900562254 584324809 /nfs/dbraw/zinc/32/48/09/584324809.db2.gz LRZZBLHNUGMEPE-RTMURIBGSA-N 1 2 209.249 -0.027 20 0 BBADLO C/C=C\[C@@H](O)C(=O)NCc1[nH+]ccn1C ZINC000900562255 584325075 /nfs/dbraw/zinc/32/50/75/584325075.db2.gz LRZZBLHNUGMEPE-TUUFMJSCSA-N 1 2 209.249 -0.027 20 0 BBADLO C/C=C\[C@H](O)C(=O)NCc1[nH+]ccn1C ZINC000900562256 584325105 /nfs/dbraw/zinc/32/51/05/584325105.db2.gz LRZZBLHNUGMEPE-VEMNSZJBSA-N 1 2 209.249 -0.027 20 0 BBADLO CCN(CC(=O)OC)C(=O)Cc1c[nH+]c[nH]1 ZINC000900562916 584325150 /nfs/dbraw/zinc/32/51/50/584325150.db2.gz MJDOFFNMRXXXIB-UHFFFAOYSA-N 1 2 225.248 -0.026 20 0 BBADLO Cc1nc(NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)n[nH]1 ZINC000900566744 584326207 /nfs/dbraw/zinc/32/62/07/584326207.db2.gz PDXHEDCGYYXZPX-GMSGAONNSA-N 1 2 239.279 -0.493 20 0 BBADLO Cc1nc(NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)n[nH]1 ZINC000900566744 584326206 /nfs/dbraw/zinc/32/62/06/584326206.db2.gz PDXHEDCGYYXZPX-GMSGAONNSA-N 1 2 239.279 -0.493 20 0 BBADLO Cc1nnc(NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)[nH]1 ZINC000900566744 584326205 /nfs/dbraw/zinc/32/62/05/584326205.db2.gz PDXHEDCGYYXZPX-GMSGAONNSA-N 1 2 239.279 -0.493 20 0 BBADLO Cc1nnc(NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)[nH]1 ZINC000900566744 584326204 /nfs/dbraw/zinc/32/62/04/584326204.db2.gz PDXHEDCGYYXZPX-GMSGAONNSA-N 1 2 239.279 -0.493 20 0 BBADLO Cc1nc(NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)n[nH]1 ZINC000900566759 584326217 /nfs/dbraw/zinc/32/62/17/584326217.db2.gz PDXHEDCGYYXZPX-OIBJUYFYSA-N 1 2 239.279 -0.493 20 0 BBADLO Cc1nc(NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)n[nH]1 ZINC000900566759 584326216 /nfs/dbraw/zinc/32/62/16/584326216.db2.gz PDXHEDCGYYXZPX-OIBJUYFYSA-N 1 2 239.279 -0.493 20 0 BBADLO Cc1nnc(NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)[nH]1 ZINC000900566759 584326215 /nfs/dbraw/zinc/32/62/15/584326215.db2.gz PDXHEDCGYYXZPX-OIBJUYFYSA-N 1 2 239.279 -0.493 20 0 BBADLO Cc1nnc(NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)[nH]1 ZINC000900566759 584326214 /nfs/dbraw/zinc/32/62/14/584326214.db2.gz PDXHEDCGYYXZPX-OIBJUYFYSA-N 1 2 239.279 -0.493 20 0 BBADLO Cc1nc(NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)n[nH]1 ZINC000900566760 584326050 /nfs/dbraw/zinc/32/60/50/584326050.db2.gz PDXHEDCGYYXZPX-XCBNKYQSSA-N 1 2 239.279 -0.493 20 0 BBADLO Cc1nc(NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)n[nH]1 ZINC000900566760 584326047 /nfs/dbraw/zinc/32/60/47/584326047.db2.gz PDXHEDCGYYXZPX-XCBNKYQSSA-N 1 2 239.279 -0.493 20 0 BBADLO Cc1nnc(NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)[nH]1 ZINC000900566760 584326044 /nfs/dbraw/zinc/32/60/44/584326044.db2.gz PDXHEDCGYYXZPX-XCBNKYQSSA-N 1 2 239.279 -0.493 20 0 BBADLO Cc1nnc(NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)[nH]1 ZINC000900566760 584326041 /nfs/dbraw/zinc/32/60/41/584326041.db2.gz PDXHEDCGYYXZPX-XCBNKYQSSA-N 1 2 239.279 -0.493 20 0 BBADLO Cc1nc(NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)n[nH]1 ZINC000900566762 584326131 /nfs/dbraw/zinc/32/61/31/584326131.db2.gz PDXHEDCGYYXZPX-XVKPBYJWSA-N 1 2 239.279 -0.493 20 0 BBADLO Cc1nc(NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)n[nH]1 ZINC000900566762 584326129 /nfs/dbraw/zinc/32/61/29/584326129.db2.gz PDXHEDCGYYXZPX-XVKPBYJWSA-N 1 2 239.279 -0.493 20 0 BBADLO Cc1nnc(NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)[nH]1 ZINC000900566762 584326127 /nfs/dbraw/zinc/32/61/27/584326127.db2.gz PDXHEDCGYYXZPX-XVKPBYJWSA-N 1 2 239.279 -0.493 20 0 BBADLO Cc1nnc(NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)[nH]1 ZINC000900566762 584326125 /nfs/dbraw/zinc/32/61/25/584326125.db2.gz PDXHEDCGYYXZPX-XVKPBYJWSA-N 1 2 239.279 -0.493 20 0 BBADLO NC(=O)[C@@H]1CCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000900585064 584331884 /nfs/dbraw/zinc/33/18/84/584331884.db2.gz VQWNBSNHPCYPPF-SECBINFHSA-N 1 2 248.286 -0.173 20 0 BBADLO NC(=O)[C@H]1CCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000900585071 584331569 /nfs/dbraw/zinc/33/15/69/584331569.db2.gz VQWNBSNHPCYPPF-VIFPVBQESA-N 1 2 248.286 -0.173 20 0 BBADLO CCN(CC(=O)N(C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900585213 584331966 /nfs/dbraw/zinc/33/19/66/584331966.db2.gz YATPNCUMNKCBRF-UHFFFAOYSA-N 1 2 238.291 -0.111 20 0 BBADLO CC[C@@H]1C(=O)NCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900607293 584330605 /nfs/dbraw/zinc/33/06/05/584330605.db2.gz AMLRQGQVWVUHKD-SECBINFHSA-N 1 2 236.275 -0.311 20 0 BBADLO CC[C@H]1C(=O)NCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900607295 584330807 /nfs/dbraw/zinc/33/08/07/584330807.db2.gz AMLRQGQVWVUHKD-VIFPVBQESA-N 1 2 236.275 -0.311 20 0 BBADLO C[S@](=O)CCNC(=O)CNc1cccc[nH+]1 ZINC000900608335 584330693 /nfs/dbraw/zinc/33/06/93/584330693.db2.gz LYDMLCOODCKNOW-INIZCTEOSA-N 1 2 241.316 -0.012 20 0 BBADLO C[S@@](=O)CCNC(=O)CNc1cccc[nH+]1 ZINC000900608336 584330791 /nfs/dbraw/zinc/33/07/91/584330791.db2.gz LYDMLCOODCKNOW-MRXNPFEDSA-N 1 2 241.316 -0.012 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)[C@@H](O)C(C)(C)O ZINC000900615520 584332338 /nfs/dbraw/zinc/33/23/38/584332338.db2.gz AZIHTUNXOLKSEZ-SECBINFHSA-N 1 2 224.260 -0.118 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)[C@H](O)C(C)(C)O ZINC000900615527 584332424 /nfs/dbraw/zinc/33/24/24/584332424.db2.gz AZIHTUNXOLKSEZ-VIFPVBQESA-N 1 2 224.260 -0.118 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)[C@H]1COC(=O)N1 ZINC000900616525 584332272 /nfs/dbraw/zinc/33/22/72/584332272.db2.gz JRCUAUISOQPOOW-MRVPVSSYSA-N 1 2 221.216 -0.141 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1OCCN(C)C1=O ZINC000900617621 584332609 /nfs/dbraw/zinc/33/26/09/584332609.db2.gz BNNICDANKMKMMJ-JTQLQIEISA-N 1 2 249.270 -0.392 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)[C@H]1OCCN(C)C1=O ZINC000900617638 584332584 /nfs/dbraw/zinc/33/25/84/584332584.db2.gz BNNICDANKMKMMJ-SNVBAGLBSA-N 1 2 249.270 -0.392 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)CN1CCNC(=O)C1 ZINC000900617939 584332457 /nfs/dbraw/zinc/33/24/57/584332457.db2.gz GGKOPGFFTJYJSN-UHFFFAOYSA-N 1 2 248.286 -0.818 20 0 BBADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000900619689 584332824 /nfs/dbraw/zinc/33/28/24/584332824.db2.gz VOHVUYHTQBUVQG-JGVFFNPUSA-N 1 2 219.244 -0.128 20 0 BBADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000900625998 584333431 /nfs/dbraw/zinc/33/34/31/584333431.db2.gz PDEBXSWYIKLJJX-NKWVEPMBSA-N 1 2 222.248 -0.511 20 0 BBADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1COC(=O)N1 ZINC000900630327 584333776 /nfs/dbraw/zinc/33/37/76/584333776.db2.gz UNYFTRVLEIYHOC-ZCFIWIBFSA-N 1 2 224.220 -0.524 20 0 BBADLO C=CC(=O)NCCNC(=O)CNc1cccc[nH+]1 ZINC000900640265 584335331 /nfs/dbraw/zinc/33/53/31/584335331.db2.gz VHIXQXAFLGQCBF-UHFFFAOYSA-N 1 2 248.286 -0.088 20 0 BBADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1COC(=O)N1 ZINC000900646889 584335342 /nfs/dbraw/zinc/33/53/42/584335342.db2.gz JYBVAWGMMYANKI-ZCFIWIBFSA-N 1 2 224.220 -0.823 20 0 BBADLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCc1nn[nH]n1 ZINC000900658334 584336747 /nfs/dbraw/zinc/33/67/47/584336747.db2.gz GQGHNEGBFPFWJP-SSDOTTSWSA-N 1 2 238.295 -0.311 20 0 BBADLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1nn[nH]n1 ZINC000900658334 584336746 /nfs/dbraw/zinc/33/67/46/584336746.db2.gz GQGHNEGBFPFWJP-SSDOTTSWSA-N 1 2 238.295 -0.311 20 0 BBADLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCc1nn[nH]n1 ZINC000900658335 584337226 /nfs/dbraw/zinc/33/72/26/584337226.db2.gz GQGHNEGBFPFWJP-ZETCQYMHSA-N 1 2 238.295 -0.311 20 0 BBADLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1nn[nH]n1 ZINC000900658335 584337224 /nfs/dbraw/zinc/33/72/24/584337224.db2.gz GQGHNEGBFPFWJP-ZETCQYMHSA-N 1 2 238.295 -0.311 20 0 BBADLO C[N@@H+](CC(=O)NCc1nn[nH]n1)C1CCC1 ZINC000900659488 584336804 /nfs/dbraw/zinc/33/68/04/584336804.db2.gz OPPOPULXGOPSPW-UHFFFAOYSA-N 1 2 224.268 -0.700 20 0 BBADLO C[N@H+](CC(=O)NCc1nn[nH]n1)C1CCC1 ZINC000900659488 584336803 /nfs/dbraw/zinc/33/68/03/584336803.db2.gz OPPOPULXGOPSPW-UHFFFAOYSA-N 1 2 224.268 -0.700 20 0 BBADLO CN1CCC[C@H](C(=O)NCc2[nH]cc[nH+]2)C1=O ZINC000900664781 584337936 /nfs/dbraw/zinc/33/79/36/584337936.db2.gz GBNNYGQESQKUCB-MRVPVSSYSA-N 1 2 236.275 -0.106 20 0 BBADLO CN1CCC[C@@H](C(=O)NCc2[nH]cc[nH+]2)C1=O ZINC000900664782 584337713 /nfs/dbraw/zinc/33/77/13/584337713.db2.gz GBNNYGQESQKUCB-QMMMGPOBSA-N 1 2 236.275 -0.106 20 0 BBADLO Cc1cc(NC(=O)[C@@H](O)C(C)(C)O)cc[nH+]1 ZINC000900670443 584339545 /nfs/dbraw/zinc/33/95/45/584339545.db2.gz CBYRROXNEQMKTR-SECBINFHSA-N 1 2 224.260 -0.118 20 0 BBADLO Cc1cc(NC(=O)[C@H](O)C(C)(C)O)cc[nH+]1 ZINC000900670445 584339664 /nfs/dbraw/zinc/33/96/64/584339664.db2.gz CBYRROXNEQMKTR-VIFPVBQESA-N 1 2 224.260 -0.118 20 0 BBADLO Cc1cc(NC(=O)CN2CCNC(=O)C2)cc[nH+]1 ZINC000900672216 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ZINC000900683570 584341643 /nfs/dbraw/zinc/34/16/43/584341643.db2.gz CNSMDMIPPKKCKJ-PGLGOXFNSA-N 1 2 242.319 -0.286 20 0 BBADLO C/C=C/[C@H](O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000900683571 584341358 /nfs/dbraw/zinc/34/13/58/584341358.db2.gz CNSMDMIPPKKCKJ-UFFNRZRYSA-N 1 2 242.319 -0.286 20 0 BBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000900715677 584344670 /nfs/dbraw/zinc/34/46/70/584344670.db2.gz BMWRHTFSWGZWEU-BDAKNGLRSA-N 1 2 234.259 -0.612 20 0 BBADLO O=C([C@H]1COC(=O)N1)N1CC(n2cc[nH+]c2)C1 ZINC000900716686 584344517 /nfs/dbraw/zinc/34/45/17/584344517.db2.gz KGUJMXOICFCRHT-MRVPVSSYSA-N 1 2 236.231 -0.625 20 0 BBADLO CC(C)(O)[C@H](O)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000900718440 584344665 /nfs/dbraw/zinc/34/46/65/584344665.db2.gz TVRAUAOPEALNHB-SECBINFHSA-N 1 2 239.275 -0.602 20 0 BBADLO CC(C)(O)[C@@H](O)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000900718442 584344623 /nfs/dbraw/zinc/34/46/23/584344623.db2.gz TVRAUAOPEALNHB-VIFPVBQESA-N 1 2 239.275 -0.602 20 0 BBADLO 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-0.794 20 0 BBADLO CN(C)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000902802794 584670746 /nfs/dbraw/zinc/67/07/46/584670746.db2.gz CCYZGJHDFCOLIH-UHFFFAOYSA-N 1 2 243.307 -0.294 20 0 BBADLO CN(C)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000902802794 584670743 /nfs/dbraw/zinc/67/07/43/584670743.db2.gz CCYZGJHDFCOLIH-UHFFFAOYSA-N 1 2 243.307 -0.294 20 0 BBADLO C[C@@H]1C[N@@H+](CCNC(=O)CCO)CCO1 ZINC000902837073 584679154 /nfs/dbraw/zinc/67/91/54/584679154.db2.gz BGZNGXARONIIBI-SECBINFHSA-N 1 2 216.281 -0.794 20 0 BBADLO C[C@@H]1C[N@H+](CCNC(=O)CCO)CCO1 ZINC000902837073 584679153 /nfs/dbraw/zinc/67/91/53/584679153.db2.gz BGZNGXARONIIBI-SECBINFHSA-N 1 2 216.281 -0.794 20 0 BBADLO C[C@H]1C[N@@H+](CCNC(=O)CCO)CCO1 ZINC000902837074 584679179 /nfs/dbraw/zinc/67/91/79/584679179.db2.gz BGZNGXARONIIBI-VIFPVBQESA-N 1 2 216.281 -0.794 20 0 BBADLO C[C@H]1C[N@H+](CCNC(=O)CCO)CCO1 ZINC000902837074 584679177 /nfs/dbraw/zinc/67/91/77/584679177.db2.gz BGZNGXARONIIBI-VIFPVBQESA-N 1 2 216.281 -0.794 20 0 BBADLO C[C@@H]1C[N@@H+](CCNC(=O)OC2COC2)CCO1 ZINC000902837974 584679856 /nfs/dbraw/zinc/67/98/56/584679856.db2.gz SJYVFLPLRAIIBE-SECBINFHSA-N 1 2 244.291 -0.168 20 0 BBADLO C[C@@H]1C[N@H+](CCNC(=O)OC2COC2)CCO1 ZINC000902837974 584679855 /nfs/dbraw/zinc/67/98/55/584679855.db2.gz SJYVFLPLRAIIBE-SECBINFHSA-N 1 2 244.291 -0.168 20 0 BBADLO C[C@H]1C[N@@H+](CCNC(=O)OC2COC2)CCO1 ZINC000902837975 584679943 /nfs/dbraw/zinc/67/99/43/584679943.db2.gz SJYVFLPLRAIIBE-VIFPVBQESA-N 1 2 244.291 -0.168 20 0 BBADLO C[C@H]1C[N@H+](CCNC(=O)OC2COC2)CCO1 ZINC000902837975 584679942 /nfs/dbraw/zinc/67/99/42/584679942.db2.gz SJYVFLPLRAIIBE-VIFPVBQESA-N 1 2 244.291 -0.168 20 0 BBADLO CN(CC[NH+]1CCOCC1)C(=O)OC1COC1 ZINC000902839815 584679612 /nfs/dbraw/zinc/67/96/12/584679612.db2.gz MNBYNPVJGWSBHP-UHFFFAOYSA-N 1 2 244.291 -0.214 20 0 BBADLO CN(CC[NH+]1CCOCC1)C(=O)CCO ZINC000902839947 584679833 /nfs/dbraw/zinc/67/98/33/584679833.db2.gz NVALTIMSHQHTHH-UHFFFAOYSA-N 1 2 216.281 -0.841 20 0 BBADLO CN1CC[N@@H+](C)[C@H](CNC(=O)OC2COC2)C1 ZINC000902858767 584685788 /nfs/dbraw/zinc/68/57/88/584685788.db2.gz SYINHGAYIUMVFW-SECBINFHSA-N 1 2 243.307 -0.643 20 0 BBADLO CN1CC[N@H+](C)[C@H](CNC(=O)OC2COC2)C1 ZINC000902858767 584685787 /nfs/dbraw/zinc/68/57/87/584685787.db2.gz SYINHGAYIUMVFW-SECBINFHSA-N 1 2 243.307 -0.643 20 0 BBADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)OC2COC2)C1 ZINC000902858768 584685926 /nfs/dbraw/zinc/68/59/26/584685926.db2.gz SYINHGAYIUMVFW-VIFPVBQESA-N 1 2 243.307 -0.643 20 0 BBADLO CN1CC[N@H+](C)[C@@H](CNC(=O)OC2COC2)C1 ZINC000902858768 584685924 /nfs/dbraw/zinc/68/59/24/584685924.db2.gz SYINHGAYIUMVFW-VIFPVBQESA-N 1 2 243.307 -0.643 20 0 BBADLO COC(=O)N1CC([NH2+][C@H](C)c2cn(C)nn2)C1 ZINC000902882709 584688407 /nfs/dbraw/zinc/68/84/07/584688407.db2.gz VTHPFFYIZFELCL-SSDOTTSWSA-N 1 2 239.279 -0.084 20 0 BBADLO COC(=O)N1CC([NH2+][C@@H](C)c2cn(C)nn2)C1 ZINC000902882710 584688254 /nfs/dbraw/zinc/68/82/54/584688254.db2.gz VTHPFFYIZFELCL-ZETCQYMHSA-N 1 2 239.279 -0.084 20 0 BBADLO C[C@@H](NC(=O)OC1COC1)[C@H]1C[N@@H+](C)CCO1 ZINC000902905649 584694476 /nfs/dbraw/zinc/69/44/76/584694476.db2.gz USLIKRIOTCFWNW-PSASIEDQSA-N 1 2 244.291 -0.170 20 0 BBADLO C[C@@H](NC(=O)OC1COC1)[C@H]1C[N@H+](C)CCO1 ZINC000902905649 584694474 /nfs/dbraw/zinc/69/44/74/584694474.db2.gz USLIKRIOTCFWNW-PSASIEDQSA-N 1 2 244.291 -0.170 20 0 BBADLO C[C@@H](NC(=O)OC1COC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000902905650 584694633 /nfs/dbraw/zinc/69/46/33/584694633.db2.gz USLIKRIOTCFWNW-SCZZXKLOSA-N 1 2 244.291 -0.170 20 0 BBADLO C[C@@H](NC(=O)OC1COC1)[C@@H]1C[N@H+](C)CCO1 ZINC000902905650 584694630 /nfs/dbraw/zinc/69/46/30/584694630.db2.gz USLIKRIOTCFWNW-SCZZXKLOSA-N 1 2 244.291 -0.170 20 0 BBADLO C[C@H](NC(=O)OC1COC1)[C@H]1C[N@@H+](C)CCO1 ZINC000902905651 584694851 /nfs/dbraw/zinc/69/48/51/584694851.db2.gz USLIKRIOTCFWNW-WCBMZHEXSA-N 1 2 244.291 -0.170 20 0 BBADLO C[C@H](NC(=O)OC1COC1)[C@H]1C[N@H+](C)CCO1 ZINC000902905651 584694850 /nfs/dbraw/zinc/69/48/50/584694850.db2.gz USLIKRIOTCFWNW-WCBMZHEXSA-N 1 2 244.291 -0.170 20 0 BBADLO C[C@H](NC(=O)OC1COC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000902905652 584694823 /nfs/dbraw/zinc/69/48/23/584694823.db2.gz USLIKRIOTCFWNW-WPRPVWTQSA-N 1 2 244.291 -0.170 20 0 BBADLO C[C@H](NC(=O)OC1COC1)[C@@H]1C[N@H+](C)CCO1 ZINC000902905652 584694822 /nfs/dbraw/zinc/69/48/22/584694822.db2.gz USLIKRIOTCFWNW-WPRPVWTQSA-N 1 2 244.291 -0.170 20 0 BBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)OC1COC1 ZINC000902905675 584694612 /nfs/dbraw/zinc/69/46/12/584694612.db2.gz VGXHKYWTCFFMRQ-SECBINFHSA-N 1 2 241.291 -0.889 20 0 BBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)OC1COC1 ZINC000902905676 584694423 /nfs/dbraw/zinc/69/44/23/584694423.db2.gz VGXHKYWTCFFMRQ-VIFPVBQESA-N 1 2 241.291 -0.889 20 0 BBADLO O=C(CCO)NCC1([NH+]2CCOCC2)CC1 ZINC000902928239 584698013 /nfs/dbraw/zinc/69/80/13/584698013.db2.gz GTMKAEKKVPBGSC-UHFFFAOYSA-N 1 2 228.292 -0.650 20 0 BBADLO C[N@H+]1CC[C@H]1CNC(=O)c1cnns1 ZINC000902933233 584699389 /nfs/dbraw/zinc/69/93/89/584699389.db2.gz IVKPKSWPSSQZOH-LURJTMIESA-N 1 2 212.278 -0.028 20 0 BBADLO C[N@@H+]1CC[C@H]1CNC(=O)c1cnns1 ZINC000902933233 584699388 /nfs/dbraw/zinc/69/93/88/584699388.db2.gz IVKPKSWPSSQZOH-LURJTMIESA-N 1 2 212.278 -0.028 20 0 BBADLO C[N@H+]1CC[C@@H]1CNC(=O)c1cnns1 ZINC000902933238 584699276 /nfs/dbraw/zinc/69/92/76/584699276.db2.gz IVKPKSWPSSQZOH-ZCFIWIBFSA-N 1 2 212.278 -0.028 20 0 BBADLO C[N@@H+]1CC[C@@H]1CNC(=O)c1cnns1 ZINC000902933238 584699274 /nfs/dbraw/zinc/69/92/74/584699274.db2.gz IVKPKSWPSSQZOH-ZCFIWIBFSA-N 1 2 212.278 -0.028 20 0 BBADLO Cn1cc(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)cn1 ZINC000902933354 584699133 /nfs/dbraw/zinc/69/91/33/584699133.db2.gz JZPVBSIZLFEVGM-SECBINFHSA-N 1 2 236.275 -0.577 20 0 BBADLO Cn1cc(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)cn1 ZINC000902933354 584699132 /nfs/dbraw/zinc/69/91/32/584699132.db2.gz JZPVBSIZLFEVGM-SECBINFHSA-N 1 2 236.275 -0.577 20 0 BBADLO Cn1cc(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)cn1 ZINC000902933355 584699051 /nfs/dbraw/zinc/69/90/51/584699051.db2.gz JZPVBSIZLFEVGM-VIFPVBQESA-N 1 2 236.275 -0.577 20 0 BBADLO Cn1cc(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)cn1 ZINC000902933355 584699050 /nfs/dbraw/zinc/69/90/50/584699050.db2.gz JZPVBSIZLFEVGM-VIFPVBQESA-N 1 2 236.275 -0.577 20 0 BBADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CCO ZINC000902934841 584699629 /nfs/dbraw/zinc/69/96/29/584699629.db2.gz MKRYYNXGFWGBEW-GHMZBOCLSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CCO ZINC000902934842 584699948 /nfs/dbraw/zinc/69/99/48/584699948.db2.gz MKRYYNXGFWGBEW-MNOVXSKESA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CCO ZINC000902934843 584699933 /nfs/dbraw/zinc/69/99/33/584699933.db2.gz MKRYYNXGFWGBEW-QWRGUYRKSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CCO ZINC000902934844 584699884 /nfs/dbraw/zinc/69/98/84/584699884.db2.gz MKRYYNXGFWGBEW-WDEREUQCSA-N 1 2 242.319 -0.310 20 0 BBADLO O=C(CCO)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000902943396 584696017 /nfs/dbraw/zinc/69/60/17/584696017.db2.gz RGNAUNYPSMZGED-AOOOYVTPSA-N 1 2 228.292 -0.652 20 0 BBADLO O=C(CCO)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000902943396 584696016 /nfs/dbraw/zinc/69/60/16/584696016.db2.gz RGNAUNYPSMZGED-AOOOYVTPSA-N 1 2 228.292 -0.652 20 0 BBADLO C[N@H+]1CCOC[C@H]1CNC(=O)OC1COC1 ZINC000902957284 584705779 /nfs/dbraw/zinc/70/57/79/584705779.db2.gz FNNZUGVAOMAHEO-MRVPVSSYSA-N 1 2 230.264 -0.558 20 0 BBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)OC1COC1 ZINC000902957284 584705778 /nfs/dbraw/zinc/70/57/78/584705778.db2.gz FNNZUGVAOMAHEO-MRVPVSSYSA-N 1 2 230.264 -0.558 20 0 BBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)OC1COC1 ZINC000902957285 584705750 /nfs/dbraw/zinc/70/57/50/584705750.db2.gz FNNZUGVAOMAHEO-QMMMGPOBSA-N 1 2 230.264 -0.558 20 0 BBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)OC1COC1 ZINC000902957285 584705749 /nfs/dbraw/zinc/70/57/49/584705749.db2.gz FNNZUGVAOMAHEO-QMMMGPOBSA-N 1 2 230.264 -0.558 20 0 BBADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)CCO ZINC000902968373 584702692 /nfs/dbraw/zinc/70/26/92/584702692.db2.gz GQXPVSQZQSGFPD-JTQLQIEISA-N 1 2 230.308 -0.404 20 0 BBADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)CCO ZINC000902968374 584703151 /nfs/dbraw/zinc/70/31/51/584703151.db2.gz GQXPVSQZQSGFPD-SNVBAGLBSA-N 1 2 230.308 -0.404 20 0 BBADLO CC(=O)NCCC[N@H+]1CC(=O)N[C@H](C)C1 ZINC000902974356 584712933 /nfs/dbraw/zinc/71/29/33/584712933.db2.gz FYJJVSFTOZHXDG-MRVPVSSYSA-N 1 2 213.281 -0.667 20 0 BBADLO CC(=O)NCCC[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000902974356 584712931 /nfs/dbraw/zinc/71/29/31/584712931.db2.gz FYJJVSFTOZHXDG-MRVPVSSYSA-N 1 2 213.281 -0.667 20 0 BBADLO CC(=O)NCCC[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000902974357 584712755 /nfs/dbraw/zinc/71/27/55/584712755.db2.gz FYJJVSFTOZHXDG-QMMMGPOBSA-N 1 2 213.281 -0.667 20 0 BBADLO CC(=O)NCCC[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000902974357 584712754 /nfs/dbraw/zinc/71/27/54/584712754.db2.gz FYJJVSFTOZHXDG-QMMMGPOBSA-N 1 2 213.281 -0.667 20 0 BBADLO CCn1c[nH+]c2c1CCN(C(=O)C(=O)NC)C2 ZINC000902985972 584708665 /nfs/dbraw/zinc/70/86/65/584708665.db2.gz QTVFNHQIEGEQES-UHFFFAOYSA-N 1 2 236.275 -0.466 20 0 BBADLO NC(=O)NC(=O)C[N@H+]1CCC[C@H](F)C1 ZINC000902990976 584709659 /nfs/dbraw/zinc/70/96/59/584709659.db2.gz IWMKBFWFAOKJDJ-LURJTMIESA-N 1 2 203.217 -0.385 20 0 BBADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@H](F)C1 ZINC000902990976 584709658 /nfs/dbraw/zinc/70/96/58/584709658.db2.gz IWMKBFWFAOKJDJ-LURJTMIESA-N 1 2 203.217 -0.385 20 0 BBADLO NC(=O)NC(=O)C[N@H+]1CCC[C@@H](F)C1 ZINC000902990979 584709199 /nfs/dbraw/zinc/70/91/99/584709199.db2.gz IWMKBFWFAOKJDJ-ZCFIWIBFSA-N 1 2 203.217 -0.385 20 0 BBADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](F)C1 ZINC000902990979 584709198 /nfs/dbraw/zinc/70/91/98/584709198.db2.gz IWMKBFWFAOKJDJ-ZCFIWIBFSA-N 1 2 203.217 -0.385 20 0 BBADLO CNS(=O)(=O)CC[N@H+]1CCC[C@@H](F)C1 ZINC000902992050 584709991 /nfs/dbraw/zinc/70/99/91/584709991.db2.gz GBYHKQNFFBCZMK-MRVPVSSYSA-N 1 2 224.301 -0.031 20 0 BBADLO CNS(=O)(=O)CC[N@@H+]1CCC[C@@H](F)C1 ZINC000902992050 584709989 /nfs/dbraw/zinc/70/99/89/584709989.db2.gz GBYHKQNFFBCZMK-MRVPVSSYSA-N 1 2 224.301 -0.031 20 0 BBADLO CNS(=O)(=O)CC[N@H+]1CCC[C@H](F)C1 ZINC000902992051 584710121 /nfs/dbraw/zinc/71/01/21/584710121.db2.gz GBYHKQNFFBCZMK-QMMMGPOBSA-N 1 2 224.301 -0.031 20 0 BBADLO CNS(=O)(=O)CC[N@@H+]1CCC[C@H](F)C1 ZINC000902992051 584710120 /nfs/dbraw/zinc/71/01/20/584710120.db2.gz GBYHKQNFFBCZMK-QMMMGPOBSA-N 1 2 224.301 -0.031 20 0 BBADLO CS(=O)(=O)NCC[N@H+]1CCC[C@@H](F)C1 ZINC000902999052 584714711 /nfs/dbraw/zinc/71/47/11/584714711.db2.gz UXRGRGWNAYEQLZ-MRVPVSSYSA-N 1 2 224.301 -0.031 20 0 BBADLO CS(=O)(=O)NCC[N@@H+]1CCC[C@@H](F)C1 ZINC000902999052 584714710 /nfs/dbraw/zinc/71/47/10/584714710.db2.gz UXRGRGWNAYEQLZ-MRVPVSSYSA-N 1 2 224.301 -0.031 20 0 BBADLO CS(=O)(=O)NCC[N@H+]1CCC[C@H](F)C1 ZINC000902999053 584715128 /nfs/dbraw/zinc/71/51/28/584715128.db2.gz UXRGRGWNAYEQLZ-QMMMGPOBSA-N 1 2 224.301 -0.031 20 0 BBADLO CS(=O)(=O)NCC[N@@H+]1CCC[C@H](F)C1 ZINC000902999053 584715127 /nfs/dbraw/zinc/71/51/27/584715127.db2.gz UXRGRGWNAYEQLZ-QMMMGPOBSA-N 1 2 224.301 -0.031 20 0 BBADLO O=C(C[N@@H+]1CCC[C@@H](F)C1)N1CCNC(=O)C1 ZINC000903002731 584715967 /nfs/dbraw/zinc/71/59/67/584715967.db2.gz FWQHOEBXBWCFPU-SECBINFHSA-N 1 2 243.282 -0.621 20 0 BBADLO O=C(C[N@H+]1CCC[C@@H](F)C1)N1CCNC(=O)C1 ZINC000903002731 584715965 /nfs/dbraw/zinc/71/59/65/584715965.db2.gz FWQHOEBXBWCFPU-SECBINFHSA-N 1 2 243.282 -0.621 20 0 BBADLO O=C(C[N@@H+]1CCC[C@H](F)C1)N1CCNC(=O)C1 ZINC000903002732 584715957 /nfs/dbraw/zinc/71/59/57/584715957.db2.gz FWQHOEBXBWCFPU-VIFPVBQESA-N 1 2 243.282 -0.621 20 0 BBADLO O=C(C[N@H+]1CCC[C@H](F)C1)N1CCNC(=O)C1 ZINC000903002732 584715955 /nfs/dbraw/zinc/71/59/55/584715955.db2.gz FWQHOEBXBWCFPU-VIFPVBQESA-N 1 2 243.282 -0.621 20 0 BBADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](F)C1 ZINC000903003896 584716829 /nfs/dbraw/zinc/71/68/29/584716829.db2.gz UWUJOSWEDFPQAH-SSDOTTSWSA-N 1 2 217.244 -0.124 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](F)C1 ZINC000903003896 584716828 /nfs/dbraw/zinc/71/68/28/584716828.db2.gz UWUJOSWEDFPQAH-SSDOTTSWSA-N 1 2 217.244 -0.124 20 0 BBADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@H](F)C1 ZINC000903003897 584717133 /nfs/dbraw/zinc/71/71/33/584717133.db2.gz UWUJOSWEDFPQAH-ZETCQYMHSA-N 1 2 217.244 -0.124 20 0 BBADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](F)C1 ZINC000903003897 584717130 /nfs/dbraw/zinc/71/71/30/584717130.db2.gz UWUJOSWEDFPQAH-ZETCQYMHSA-N 1 2 217.244 -0.124 20 0 BBADLO O=C(C[N@@H+]1CCC[C@@H](F)C1)N1CCNC1=O ZINC000903003898 584716744 /nfs/dbraw/zinc/71/67/44/584716744.db2.gz UYBFENBVEIMBKU-MRVPVSSYSA-N 1 2 229.255 -0.028 20 0 BBADLO O=C(C[N@H+]1CCC[C@@H](F)C1)N1CCNC1=O ZINC000903003898 584716742 /nfs/dbraw/zinc/71/67/42/584716742.db2.gz UYBFENBVEIMBKU-MRVPVSSYSA-N 1 2 229.255 -0.028 20 0 BBADLO O=C(C[N@@H+]1CCC[C@H](F)C1)N1CCNC1=O ZINC000903003899 584716598 /nfs/dbraw/zinc/71/65/98/584716598.db2.gz UYBFENBVEIMBKU-QMMMGPOBSA-N 1 2 229.255 -0.028 20 0 BBADLO O=C(C[N@H+]1CCC[C@H](F)C1)N1CCNC1=O ZINC000903003899 584716597 /nfs/dbraw/zinc/71/65/97/584716597.db2.gz UYBFENBVEIMBKU-QMMMGPOBSA-N 1 2 229.255 -0.028 20 0 BBADLO CCS(=O)(=O)NC1CC[NH+](CC(C)=O)CC1 ZINC000903011868 584717215 /nfs/dbraw/zinc/71/72/15/584717215.db2.gz FIPDRXKJYLWFEH-UHFFFAOYSA-N 1 2 248.348 -0.021 20 0 BBADLO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1cn(C)nn1 ZINC000903016678 584713233 /nfs/dbraw/zinc/71/32/33/584713233.db2.gz GZVDZPJUDJJBKL-FKTZTGRPSA-N 1 2 226.280 -0.121 20 0 BBADLO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1cn(C)nn1 ZINC000903016679 584713192 /nfs/dbraw/zinc/71/31/92/584713192.db2.gz GZVDZPJUDJJBKL-UJNFCWOMSA-N 1 2 226.280 -0.121 20 0 BBADLO NC(=O)C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903029919 584721982 /nfs/dbraw/zinc/72/19/82/584721982.db2.gz FJNMNGGJAOBLGD-MRVPVSSYSA-N 1 2 221.264 -0.552 20 0 BBADLO NC(=O)C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903029919 584721981 /nfs/dbraw/zinc/72/19/81/584721981.db2.gz FJNMNGGJAOBLGD-MRVPVSSYSA-N 1 2 221.264 -0.552 20 0 BBADLO NC(=O)C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903029920 584722102 /nfs/dbraw/zinc/72/21/02/584722102.db2.gz FJNMNGGJAOBLGD-QMMMGPOBSA-N 1 2 221.264 -0.552 20 0 BBADLO NC(=O)C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903029920 584722100 /nfs/dbraw/zinc/72/21/00/584722100.db2.gz FJNMNGGJAOBLGD-QMMMGPOBSA-N 1 2 221.264 -0.552 20 0 BBADLO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cn(C)nn1 ZINC000903037264 584720087 /nfs/dbraw/zinc/72/00/87/584720087.db2.gz GZVDZPJUDJJBKL-FXBDTBDDSA-N 1 2 226.280 -0.121 20 0 BBADLO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cn(C)nn1 ZINC000903037265 584720095 /nfs/dbraw/zinc/72/00/95/584720095.db2.gz GZVDZPJUDJJBKL-SZEHBUNVSA-N 1 2 226.280 -0.121 20 0 BBADLO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cn(C)nn1 ZINC000903070696 584726301 /nfs/dbraw/zinc/72/63/01/584726301.db2.gz CZKJDZRHIWNFMH-HTQZYQBOSA-N 1 2 241.295 -0.126 20 0 BBADLO CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000903070697 584726267 /nfs/dbraw/zinc/72/62/67/584726267.db2.gz CZKJDZRHIWNFMH-JGVFFNPUSA-N 1 2 241.295 -0.126 20 0 BBADLO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cn(C)nn1 ZINC000903070698 584726213 /nfs/dbraw/zinc/72/62/13/584726213.db2.gz CZKJDZRHIWNFMH-SFYZADRCSA-N 1 2 241.295 -0.126 20 0 BBADLO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000903070699 584726175 /nfs/dbraw/zinc/72/61/75/584726175.db2.gz CZKJDZRHIWNFMH-YUMQZZPRSA-N 1 2 241.295 -0.126 20 0 BBADLO O=C(CCN1CC=CC[NH2+]1)N1CCOCC1 ZINC000903488418 584780538 /nfs/dbraw/zinc/78/05/38/584780538.db2.gz BAELRALMYBMIKT-UHFFFAOYSA-N 1 2 225.292 -0.388 20 0 BBADLO COCCS(=O)(=O)CCCN1CC=CC[NH2+]1 ZINC000903488513 584780590 /nfs/dbraw/zinc/78/05/90/584780590.db2.gz HWYDMNXNGJCYRW-UHFFFAOYSA-N 1 2 248.348 -0.186 20 0 BBADLO CCS(=O)(=O)NCCN1CC=CC[NH2+]1 ZINC000903488635 584780572 /nfs/dbraw/zinc/78/05/72/584780572.db2.gz ODPWQOBKCKVTMR-UHFFFAOYSA-N 1 2 219.310 -0.698 20 0 BBADLO COC(=O)CN(C)C(=O)CCN1CC=CC[NH2+]1 ZINC000903489705 584780460 /nfs/dbraw/zinc/78/04/60/584780460.db2.gz YDAJZTYEXYFHKC-UHFFFAOYSA-N 1 2 241.291 -0.616 20 0 BBADLO Cn1nnnc1NC(=O)CCCn1cc[nH+]c1 ZINC000904198451 584850689 /nfs/dbraw/zinc/85/06/89/584850689.db2.gz FDRIONNKAZLSIY-UHFFFAOYSA-N 1 2 235.251 -0.175 20 0 BBADLO Nc1ccc(C[N@H+]2CCN3CCOC[C@H]3C2)nn1 ZINC000904340893 584867107 /nfs/dbraw/zinc/86/71/07/584867107.db2.gz NJTZRCQSYVWEBX-LLVKDONJSA-N 1 2 249.318 -0.425 20 0 BBADLO Nc1ccc(C[N@@H+]2CCN3CCOC[C@H]3C2)nn1 ZINC000904340893 584867105 /nfs/dbraw/zinc/86/71/05/584867105.db2.gz NJTZRCQSYVWEBX-LLVKDONJSA-N 1 2 249.318 -0.425 20 0 BBADLO Nc1ccc(C[N@H+]2CCN3CCOC[C@@H]3C2)nn1 ZINC000904340894 584867220 /nfs/dbraw/zinc/86/72/20/584867220.db2.gz NJTZRCQSYVWEBX-NSHDSACASA-N 1 2 249.318 -0.425 20 0 BBADLO Nc1ccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)nn1 ZINC000904340894 584867219 /nfs/dbraw/zinc/86/72/19/584867219.db2.gz NJTZRCQSYVWEBX-NSHDSACASA-N 1 2 249.318 -0.425 20 0 BBADLO Nc1ccc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)nn1 ZINC000904340996 584866991 /nfs/dbraw/zinc/86/69/91/584866991.db2.gz HIOJWUQSAKWLOT-SECBINFHSA-N 1 2 249.274 -0.305 20 0 BBADLO Nc1ccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)nn1 ZINC000904340996 584866990 /nfs/dbraw/zinc/86/69/90/584866990.db2.gz HIOJWUQSAKWLOT-SECBINFHSA-N 1 2 249.274 -0.305 20 0 BBADLO Nc1ccc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)nn1 ZINC000904340997 584867188 /nfs/dbraw/zinc/86/71/88/584867188.db2.gz HIOJWUQSAKWLOT-VIFPVBQESA-N 1 2 249.274 -0.305 20 0 BBADLO Nc1ccc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)nn1 ZINC000904340997 584867187 /nfs/dbraw/zinc/86/71/87/584867187.db2.gz HIOJWUQSAKWLOT-VIFPVBQESA-N 1 2 249.274 -0.305 20 0 BBADLO CC[N@@H+](Cc1ccc(N)nn1)[C@@H]1CCNC1=O ZINC000904350152 584868796 /nfs/dbraw/zinc/86/87/96/584868796.db2.gz HDEUEVUJFZYIAM-SECBINFHSA-N 1 2 235.291 -0.231 20 0 BBADLO CC[N@H+](Cc1ccc(N)nn1)[C@@H]1CCNC1=O ZINC000904350152 584868795 /nfs/dbraw/zinc/86/87/95/584868795.db2.gz HDEUEVUJFZYIAM-SECBINFHSA-N 1 2 235.291 -0.231 20 0 BBADLO CC[N@@H+](Cc1ccc(N)nn1)[C@H]1CCNC1=O ZINC000904350153 584868923 /nfs/dbraw/zinc/86/89/23/584868923.db2.gz HDEUEVUJFZYIAM-VIFPVBQESA-N 1 2 235.291 -0.231 20 0 BBADLO CC[N@H+](Cc1ccc(N)nn1)[C@H]1CCNC1=O ZINC000904350153 584868922 /nfs/dbraw/zinc/86/89/22/584868922.db2.gz HDEUEVUJFZYIAM-VIFPVBQESA-N 1 2 235.291 -0.231 20 0 BBADLO COC(=O)CC(=O)NCCCn1cc[nH+]c1 ZINC000905045803 637563356 /nfs/dbraw/zinc/56/33/56/637563356.db2.gz FHAMVYILNGXQRF-UHFFFAOYSA-N 1 2 225.248 -0.048 20 0 BBADLO C[N@@H+](CCO)Cc1cn(C2=NOCC2)nn1 ZINC000905062385 637597107 /nfs/dbraw/zinc/59/71/07/637597107.db2.gz OPCHHACMACFYTR-UHFFFAOYSA-N 1 2 225.252 -0.716 20 0 BBADLO C[N@H+](CCO)Cc1cn(C2=NOCC2)nn1 ZINC000905062385 637597103 /nfs/dbraw/zinc/59/71/03/637597103.db2.gz OPCHHACMACFYTR-UHFFFAOYSA-N 1 2 225.252 -0.716 20 0 BBADLO Cc1noc(C[NH2+]C[C@@H](O)C2(O)CCC2)n1 ZINC000905097175 637634942 /nfs/dbraw/zinc/63/49/42/637634942.db2.gz YXQNPKAJYSLXAY-MRVPVSSYSA-N 1 2 227.264 -0.256 20 0 BBADLO Cc1noc(C[NH2+]C[C@H](O)C2(O)CCC2)n1 ZINC000905097176 637634448 /nfs/dbraw/zinc/63/44/48/637634448.db2.gz YXQNPKAJYSLXAY-QMMMGPOBSA-N 1 2 227.264 -0.256 20 0 BBADLO CCNc1cc(CNS(N)(=O)=O)cc[nH+]1 ZINC000905153277 637637507 /nfs/dbraw/zinc/63/75/07/637637507.db2.gz NBRQKHBLPLGTRC-UHFFFAOYSA-N 1 2 230.293 -0.194 20 0 BBADLO CCNc1cc(CNC(=O)C(=O)NC)cc[nH+]1 ZINC000905153490 637636163 /nfs/dbraw/zinc/63/61/63/637636163.db2.gz PBHJBJUILYZBFH-UHFFFAOYSA-N 1 2 236.275 -0.124 20 0 BBADLO Cn1cnc(C[NH2+]C[C@@H](O)C2(O)CCCC2)n1 ZINC000905197439 637692439 /nfs/dbraw/zinc/69/24/39/637692439.db2.gz WGNLGXMSZCQJTH-SECBINFHSA-N 1 2 240.307 -0.429 20 0 BBADLO Cn1cnc(C[NH2+]C[C@H](O)C2(O)CCCC2)n1 ZINC000905197441 637692223 /nfs/dbraw/zinc/69/22/23/637692223.db2.gz WGNLGXMSZCQJTH-VIFPVBQESA-N 1 2 240.307 -0.429 20 0 BBADLO C[N@@H+](CCO)CCNC[C@@H](O)C(F)(F)F ZINC000905490021 637834803 /nfs/dbraw/zinc/83/48/03/637834803.db2.gz OSJCWBKDBIXAQR-SSDOTTSWSA-N 1 2 230.230 -0.577 20 0 BBADLO C[N@H+](CCO)CCNC[C@@H](O)C(F)(F)F ZINC000905490021 637834801 /nfs/dbraw/zinc/83/48/01/637834801.db2.gz OSJCWBKDBIXAQR-SSDOTTSWSA-N 1 2 230.230 -0.577 20 0 BBADLO C[N@@H+](CCO)CCNC[C@H](O)C(F)(F)F ZINC000905490022 637834455 /nfs/dbraw/zinc/83/44/55/637834455.db2.gz OSJCWBKDBIXAQR-ZETCQYMHSA-N 1 2 230.230 -0.577 20 0 BBADLO C[N@H+](CCO)CCNC[C@H](O)C(F)(F)F ZINC000905490022 637834454 /nfs/dbraw/zinc/83/44/54/637834454.db2.gz OSJCWBKDBIXAQR-ZETCQYMHSA-N 1 2 230.230 -0.577 20 0 BBADLO COC(=O)[C@@H](F)C[NH2+]CCS(C)(=O)=O ZINC000905491427 637836887 /nfs/dbraw/zinc/83/68/87/637836887.db2.gz VBLKUXSTZRWKSA-LURJTMIESA-N 1 2 227.257 -0.868 20 0 BBADLO CCS(=O)(=O)CC[NH2+]C[C@H](F)C(=O)OC ZINC000905491444 637837056 /nfs/dbraw/zinc/83/70/56/637837056.db2.gz VHQYVPLPUXZJIZ-ZETCQYMHSA-N 1 2 241.284 -0.478 20 0 BBADLO C[C@@H]1CC[N@@H+](CN2CC(=O)N(C)C2=O)CCO1 ZINC000905741656 637905407 /nfs/dbraw/zinc/90/54/07/637905407.db2.gz GNZSHDJLJHFPFS-SECBINFHSA-N 1 2 241.291 -0.051 20 0 BBADLO C[C@@H]1CC[N@H+](CN2CC(=O)N(C)C2=O)CCO1 ZINC000905741656 637905400 /nfs/dbraw/zinc/90/54/00/637905400.db2.gz GNZSHDJLJHFPFS-SECBINFHSA-N 1 2 241.291 -0.051 20 0 BBADLO C[C@H]1CC[N@@H+](CN2CC(=O)N(C)C2=O)CCO1 ZINC000905741657 637904360 /nfs/dbraw/zinc/90/43/60/637904360.db2.gz GNZSHDJLJHFPFS-VIFPVBQESA-N 1 2 241.291 -0.051 20 0 BBADLO C[C@H]1CC[N@H+](CN2CC(=O)N(C)C2=O)CCO1 ZINC000905741657 637904355 /nfs/dbraw/zinc/90/43/55/637904355.db2.gz GNZSHDJLJHFPFS-VIFPVBQESA-N 1 2 241.291 -0.051 20 0 BBADLO C[N@@H+](CCO)Cc1cn(CCOC2CC2)nn1 ZINC000905829763 637945644 /nfs/dbraw/zinc/94/56/44/637945644.db2.gz GNJZRQFKPVVZJH-UHFFFAOYSA-N 1 2 240.307 -0.119 20 0 BBADLO C[N@H+](CCO)Cc1cn(CCOC2CC2)nn1 ZINC000905829763 637945635 /nfs/dbraw/zinc/94/56/35/637945635.db2.gz GNJZRQFKPVVZJH-UHFFFAOYSA-N 1 2 240.307 -0.119 20 0 BBADLO O[C@@H](C[NH+]1CCOCC1)C[C@]1(O)CCOC1 ZINC000905869701 637954050 /nfs/dbraw/zinc/95/40/50/637954050.db2.gz HPETUPDEWRNPMP-GHMZBOCLSA-N 1 2 231.292 -0.779 20 0 BBADLO O[C@@H](C[NH+]1CCOCC1)C[C@@]1(O)CCOC1 ZINC000905869702 637954675 /nfs/dbraw/zinc/95/46/75/637954675.db2.gz HPETUPDEWRNPMP-MNOVXSKESA-N 1 2 231.292 -0.779 20 0 BBADLO O[C@H](C[NH+]1CCOCC1)C[C@@]1(O)CCOC1 ZINC000905869703 637955208 /nfs/dbraw/zinc/95/52/08/637955208.db2.gz HPETUPDEWRNPMP-QWRGUYRKSA-N 1 2 231.292 -0.779 20 0 BBADLO O[C@H](C[NH+]1CCOCC1)C[C@]1(O)CCOC1 ZINC000905869704 637955550 /nfs/dbraw/zinc/95/55/50/637955550.db2.gz HPETUPDEWRNPMP-WDEREUQCSA-N 1 2 231.292 -0.779 20 0 BBADLO O=C1C[N@@H+](C[C@@H](O)C2(O)CCCC2)CCN1 ZINC000905875236 637958133 /nfs/dbraw/zinc/95/81/33/637958133.db2.gz CPCOHKJAMDSVHR-SECBINFHSA-N 1 2 228.292 -0.916 20 0 BBADLO O=C1C[N@H+](C[C@@H](O)C2(O)CCCC2)CCN1 ZINC000905875236 637958131 /nfs/dbraw/zinc/95/81/31/637958131.db2.gz CPCOHKJAMDSVHR-SECBINFHSA-N 1 2 228.292 -0.916 20 0 BBADLO O=C1C[N@@H+](C[C@H](O)C2(O)CCCC2)CCN1 ZINC000905875237 637959042 /nfs/dbraw/zinc/95/90/42/637959042.db2.gz CPCOHKJAMDSVHR-VIFPVBQESA-N 1 2 228.292 -0.916 20 0 BBADLO O=C1C[N@H+](C[C@H](O)C2(O)CCCC2)CCN1 ZINC000905875237 637959038 /nfs/dbraw/zinc/95/90/38/637959038.db2.gz CPCOHKJAMDSVHR-VIFPVBQESA-N 1 2 228.292 -0.916 20 0 BBADLO COC1(C)C[NH+](C[C@@H](O)C[C@]2(O)CCOC2)C1 ZINC000905950076 637998887 /nfs/dbraw/zinc/99/88/87/637998887.db2.gz MGSLMDFJQYEEQB-CMPLNLGQSA-N 1 2 245.319 -0.391 20 0 BBADLO COC1(C)C[NH+](C[C@@H](O)C[C@@]2(O)CCOC2)C1 ZINC000905950077 637997636 /nfs/dbraw/zinc/99/76/36/637997636.db2.gz MGSLMDFJQYEEQB-JQWIXIFHSA-N 1 2 245.319 -0.391 20 0 BBADLO COC1(C)C[NH+](C[C@H](O)C[C@@]2(O)CCOC2)C1 ZINC000905950078 637999546 /nfs/dbraw/zinc/99/95/46/637999546.db2.gz MGSLMDFJQYEEQB-PWSUYJOCSA-N 1 2 245.319 -0.391 20 0 BBADLO COC1(C)C[NH+](C[C@H](O)C[C@]2(O)CCOC2)C1 ZINC000905950079 637998480 /nfs/dbraw/zinc/99/84/80/637998480.db2.gz MGSLMDFJQYEEQB-ZYHUDNBSSA-N 1 2 245.319 -0.391 20 0 BBADLO COC1C[NH+](C[C@@H](O)C[C@]2(O)CCOC2)C1 ZINC000905950787 637998580 /nfs/dbraw/zinc/99/85/80/637998580.db2.gz RGWZAZVYVBMWNW-GXSJLCMTSA-N 1 2 231.292 -0.781 20 0 BBADLO COC1C[NH+](C[C@H](O)C[C@@]2(O)CCOC2)C1 ZINC000905950791 637998318 /nfs/dbraw/zinc/99/83/18/637998318.db2.gz RGWZAZVYVBMWNW-KOLCDFICSA-N 1 2 231.292 -0.781 20 0 BBADLO COC1C[NH+](C[C@H](O)C[C@]2(O)CCOC2)C1 ZINC000905950794 637998707 /nfs/dbraw/zinc/99/87/07/637998707.db2.gz RGWZAZVYVBMWNW-MWLCHTKSSA-N 1 2 231.292 -0.781 20 0 BBADLO COC1C[NH+](C[C@@H](O)C[C@@]2(O)CCOC2)C1 ZINC000905950797 637999412 /nfs/dbraw/zinc/99/94/12/637999412.db2.gz RGWZAZVYVBMWNW-ONGXEEELSA-N 1 2 231.292 -0.781 20 0 BBADLO CCOC1C[NH+](C[C@@H](O)C[C@]2(O)CCOC2)C1 ZINC000905957848 638007427 /nfs/dbraw/zinc/00/74/27/638007427.db2.gz OASZMWPRSQRLKG-CMPLNLGQSA-N 1 2 245.319 -0.391 20 0 BBADLO CCOC1C[NH+](C[C@@H](O)C[C@@]2(O)CCOC2)C1 ZINC000905957851 638007329 /nfs/dbraw/zinc/00/73/29/638007329.db2.gz OASZMWPRSQRLKG-JQWIXIFHSA-N 1 2 245.319 -0.391 20 0 BBADLO CCOC1C[NH+](C[C@H](O)C[C@@]2(O)CCOC2)C1 ZINC000905957853 638005547 /nfs/dbraw/zinc/00/55/47/638005547.db2.gz OASZMWPRSQRLKG-PWSUYJOCSA-N 1 2 245.319 -0.391 20 0 BBADLO CCOC1C[NH+](C[C@H](O)C[C@]2(O)CCOC2)C1 ZINC000905957855 638006480 /nfs/dbraw/zinc/00/64/80/638006480.db2.gz OASZMWPRSQRLKG-ZYHUDNBSSA-N 1 2 245.319 -0.391 20 0 BBADLO CCS(=O)(=O)CC[NH+]1CC(COC)C1 ZINC000905970078 637986974 /nfs/dbraw/zinc/98/69/74/637986974.db2.gz GBCDMGQPDBDOSG-UHFFFAOYSA-N 1 2 221.322 -0.001 20 0 BBADLO CC(C)CC[C@@H](O)C[NH+]1CC(O)(C(N)=O)C1 ZINC000905979230 638024419 /nfs/dbraw/zinc/02/44/19/638024419.db2.gz STKVYPHHTXIDTF-SECBINFHSA-N 1 2 230.308 -0.685 20 0 BBADLO CC(C)CC[C@H](O)C[NH+]1CC(O)(C(N)=O)C1 ZINC000905979237 638024364 /nfs/dbraw/zinc/02/43/64/638024364.db2.gz STKVYPHHTXIDTF-VIFPVBQESA-N 1 2 230.308 -0.685 20 0 BBADLO COC(=O)CC(=O)NCCn1cc[nH+]c1 ZINC000906130071 638058219 /nfs/dbraw/zinc/05/82/19/638058219.db2.gz LEZDQDIECKMAPY-UHFFFAOYSA-N 1 2 211.221 -0.438 20 0 BBADLO COC(=O)CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000906177155 638088054 /nfs/dbraw/zinc/08/80/54/638088054.db2.gz REXRITOVRLIIOM-SECBINFHSA-N 1 2 244.291 -0.614 20 0 BBADLO COC(=O)CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000906177156 638087466 /nfs/dbraw/zinc/08/74/66/638087466.db2.gz REXRITOVRLIIOM-VIFPVBQESA-N 1 2 244.291 -0.614 20 0 BBADLO COC(=O)CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000906201161 638103324 /nfs/dbraw/zinc/10/33/24/638103324.db2.gz WNKWIJPEWIFSMT-MRVPVSSYSA-N 1 2 225.248 -0.049 20 0 BBADLO COC(=O)CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000906201162 638102555 /nfs/dbraw/zinc/10/25/55/638102555.db2.gz WNKWIJPEWIFSMT-QMMMGPOBSA-N 1 2 225.248 -0.049 20 0 BBADLO Cn1ccc(-n2cc(C[N@H+]3CC[C@H](O)C3)nn2)n1 ZINC000906267623 638130900 /nfs/dbraw/zinc/13/09/00/638130900.db2.gz YHUFAABQPMNCBQ-JTQLQIEISA-N 1 2 248.290 -0.433 20 0 BBADLO Cn1ccc(-n2cc(C[N@@H+]3CC[C@H](O)C3)nn2)n1 ZINC000906267623 638130899 /nfs/dbraw/zinc/13/08/99/638130899.db2.gz YHUFAABQPMNCBQ-JTQLQIEISA-N 1 2 248.290 -0.433 20 0 BBADLO OCCC[N@@H+](CCO)Cc1cn(C2CC2)nn1 ZINC000906269117 638133062 /nfs/dbraw/zinc/13/30/62/638133062.db2.gz GBWMSCOVUIFYFP-UHFFFAOYSA-N 1 2 240.307 -0.210 20 0 BBADLO OCCC[N@H+](CCO)Cc1cn(C2CC2)nn1 ZINC000906269117 638133058 /nfs/dbraw/zinc/13/30/58/638133058.db2.gz GBWMSCOVUIFYFP-UHFFFAOYSA-N 1 2 240.307 -0.210 20 0 BBADLO C[N@@H+](CCC(N)=O)Cc1cn(C2CC2)nn1 ZINC000906304433 638139138 /nfs/dbraw/zinc/13/91/38/638139138.db2.gz VPXCOKYRWZTKDC-UHFFFAOYSA-N 1 2 223.280 -0.080 20 0 BBADLO C[N@H+](CCC(N)=O)Cc1cn(C2CC2)nn1 ZINC000906304433 638139135 /nfs/dbraw/zinc/13/91/35/638139135.db2.gz VPXCOKYRWZTKDC-UHFFFAOYSA-N 1 2 223.280 -0.080 20 0 BBADLO C[C@@H](O)C[N@@H+](CCO)Cc1cn(C2CC2)nn1 ZINC000906306243 638138107 /nfs/dbraw/zinc/13/81/07/638138107.db2.gz JZRVRXYUFPWFND-SECBINFHSA-N 1 2 240.307 -0.212 20 0 BBADLO C[C@@H](O)C[N@H+](CCO)Cc1cn(C2CC2)nn1 ZINC000906306243 638138103 /nfs/dbraw/zinc/13/81/03/638138103.db2.gz JZRVRXYUFPWFND-SECBINFHSA-N 1 2 240.307 -0.212 20 0 BBADLO C[C@H](O)C[N@@H+](CCO)Cc1cn(C2CC2)nn1 ZINC000906306244 638138425 /nfs/dbraw/zinc/13/84/25/638138425.db2.gz JZRVRXYUFPWFND-VIFPVBQESA-N 1 2 240.307 -0.212 20 0 BBADLO C[C@H](O)C[N@H+](CCO)Cc1cn(C2CC2)nn1 ZINC000906306244 638138420 /nfs/dbraw/zinc/13/84/20/638138420.db2.gz JZRVRXYUFPWFND-VIFPVBQESA-N 1 2 240.307 -0.212 20 0 BBADLO COC(=O)CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000906487651 638173155 /nfs/dbraw/zinc/17/31/55/638173155.db2.gz FQOHLWYBRGFIRA-SECBINFHSA-N 1 2 244.291 -0.614 20 0 BBADLO COC(=O)CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000906487651 638173149 /nfs/dbraw/zinc/17/31/49/638173149.db2.gz FQOHLWYBRGFIRA-SECBINFHSA-N 1 2 244.291 -0.614 20 0 BBADLO COC(=O)CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000906487652 638172770 /nfs/dbraw/zinc/17/27/70/638172770.db2.gz FQOHLWYBRGFIRA-VIFPVBQESA-N 1 2 244.291 -0.614 20 0 BBADLO COC(=O)CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000906487652 638172767 /nfs/dbraw/zinc/17/27/67/638172767.db2.gz FQOHLWYBRGFIRA-VIFPVBQESA-N 1 2 244.291 -0.614 20 0 BBADLO C[C@@H]1C[N@@H+](CCNC(=O)CCC(N)=O)CCO1 ZINC000906487975 638173115 /nfs/dbraw/zinc/17/31/15/638173115.db2.gz IUWRYUAZAMRFLJ-SECBINFHSA-N 1 2 243.307 -0.911 20 0 BBADLO C[C@@H]1C[N@H+](CCNC(=O)CCC(N)=O)CCO1 ZINC000906487975 638173108 /nfs/dbraw/zinc/17/31/08/638173108.db2.gz IUWRYUAZAMRFLJ-SECBINFHSA-N 1 2 243.307 -0.911 20 0 BBADLO C[C@H]1C[N@@H+](CCNC(=O)CCC(N)=O)CCO1 ZINC000906487976 638172815 /nfs/dbraw/zinc/17/28/15/638172815.db2.gz IUWRYUAZAMRFLJ-VIFPVBQESA-N 1 2 243.307 -0.911 20 0 BBADLO C[C@H]1C[N@H+](CCNC(=O)CCC(N)=O)CCO1 ZINC000906487976 638172811 /nfs/dbraw/zinc/17/28/11/638172811.db2.gz IUWRYUAZAMRFLJ-VIFPVBQESA-N 1 2 243.307 -0.911 20 0 BBADLO CN(CC[NH+]1CCOCC1)C(=O)CCC(N)=O ZINC000906523313 638189874 /nfs/dbraw/zinc/18/98/74/638189874.db2.gz RCSRBCNYROUGHZ-UHFFFAOYSA-N 1 2 243.307 -0.958 20 0 BBADLO COC(=O)CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000906524325 638190116 /nfs/dbraw/zinc/19/01/16/638190116.db2.gz WOLIRRXLGPSTJH-UHFFFAOYSA-N 1 2 244.291 -0.660 20 0 BBADLO NC(=O)CCC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000906537208 638204226 /nfs/dbraw/zinc/20/42/26/638204226.db2.gz VUJKNUNZLDORBI-UHFFFAOYSA-N 1 2 249.270 -0.063 20 0 BBADLO Cc1cc(NC(=O)CCNC(=O)CO)cc[nH+]1 ZINC000906660832 638233947 /nfs/dbraw/zinc/23/39/47/638233947.db2.gz MKBWYTKCJRRDPU-UHFFFAOYSA-N 1 2 237.259 -0.751 20 0 BBADLO COC(=O)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000906697605 638234094 /nfs/dbraw/zinc/23/40/94/638234094.db2.gz PTUISVPFNAWMBA-UHFFFAOYSA-N 1 2 223.232 -0.171 20 0 BBADLO C[C@H](CNC(=O)CCC(N)=O)Cn1cc[nH+]c1 ZINC000906767096 638242902 /nfs/dbraw/zinc/24/29/02/638242902.db2.gz SGOUYKYYUOOIBR-SECBINFHSA-N 1 2 238.291 -0.099 20 0 BBADLO C[C@@H](CNC(=O)CCC(N)=O)Cn1cc[nH+]c1 ZINC000906767098 638243105 /nfs/dbraw/zinc/24/31/05/638243105.db2.gz SGOUYKYYUOOIBR-VIFPVBQESA-N 1 2 238.291 -0.099 20 0 BBADLO COC(=O)CC(=O)NCc1[nH]c[nH+]c1C ZINC000906883386 638261149 /nfs/dbraw/zinc/26/11/49/638261149.db2.gz MTEJBYFZRXOFRL-UHFFFAOYSA-N 1 2 211.221 -0.103 20 0 BBADLO CN(CCCn1cc[nH+]c1)C(=O)CCC(N)=O ZINC000907046260 638293601 /nfs/dbraw/zinc/29/36/01/638293601.db2.gz BFTCWSKLYBWACC-UHFFFAOYSA-N 1 2 238.291 -0.003 20 0 BBADLO CC(C)NS(=O)(=O)NCCc1cn(C)c[nH+]1 ZINC000907237912 638328183 /nfs/dbraw/zinc/32/81/83/638328183.db2.gz FJKVTYHOAYZMTG-UHFFFAOYSA-N 1 2 246.336 -0.205 20 0 BBADLO CC(CO)(CO)NC(=O)CNc1cccc[nH+]1 ZINC000907287746 638340644 /nfs/dbraw/zinc/34/06/44/638340644.db2.gz JFTLYOHDIOPQSA-UHFFFAOYSA-N 1 2 239.275 -0.647 20 0 BBADLO O=C(CNc1cccc[nH+]1)NCCn1ccnn1 ZINC000907304035 638346531 /nfs/dbraw/zinc/34/65/31/638346531.db2.gz PXAWVHSGLBXUMA-UHFFFAOYSA-N 1 2 246.274 -0.099 20 0 BBADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000907306700 638335719 /nfs/dbraw/zinc/33/57/19/638335719.db2.gz DYJGCVGHDYZPJI-DTWKUNHWSA-N 1 2 236.275 -0.800 20 0 BBADLO Cn1cc(CNC(=O)CNc2cccc[nH+]2)nn1 ZINC000907308653 638337854 /nfs/dbraw/zinc/33/78/54/638337854.db2.gz PPVBCJIRUGPUSF-UHFFFAOYSA-N 1 2 246.274 -0.062 20 0 BBADLO Cn1c[nH+]cc1CCNC(=O)[C@H]1COC(=O)N1 ZINC000907308959 638339298 /nfs/dbraw/zinc/33/92/98/638339298.db2.gz WZGHHYBMTYLRIC-MRVPVSSYSA-N 1 2 238.247 -0.813 20 0 BBADLO CCN1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1=O ZINC000907364540 638362794 /nfs/dbraw/zinc/36/27/94/638362794.db2.gz KURRTAHJYQQBIQ-UHFFFAOYSA-N 1 2 236.275 -0.357 20 0 BBADLO Cn1cnnc1NC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000907399770 638373247 /nfs/dbraw/zinc/37/32/47/638373247.db2.gz IDBZUZRLFZDGLO-GMSGAONNSA-N 1 2 239.279 -0.791 20 0 BBADLO Cn1cnnc1NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000907399770 638373242 /nfs/dbraw/zinc/37/32/42/638373242.db2.gz IDBZUZRLFZDGLO-GMSGAONNSA-N 1 2 239.279 -0.791 20 0 BBADLO Cn1cnnc1NC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000907399771 638372693 /nfs/dbraw/zinc/37/26/93/638372693.db2.gz IDBZUZRLFZDGLO-OIBJUYFYSA-N 1 2 239.279 -0.791 20 0 BBADLO Cn1cnnc1NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000907399771 638372689 /nfs/dbraw/zinc/37/26/89/638372689.db2.gz IDBZUZRLFZDGLO-OIBJUYFYSA-N 1 2 239.279 -0.791 20 0 BBADLO Cn1cnnc1NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000907399773 638373555 /nfs/dbraw/zinc/37/35/55/638373555.db2.gz IDBZUZRLFZDGLO-XCBNKYQSSA-N 1 2 239.279 -0.791 20 0 BBADLO Cn1cnnc1NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000907399773 638373553 /nfs/dbraw/zinc/37/35/53/638373553.db2.gz IDBZUZRLFZDGLO-XCBNKYQSSA-N 1 2 239.279 -0.791 20 0 BBADLO Cn1cnnc1NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000907399774 638373896 /nfs/dbraw/zinc/37/38/96/638373896.db2.gz IDBZUZRLFZDGLO-XVKPBYJWSA-N 1 2 239.279 -0.791 20 0 BBADLO Cn1cnnc1NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000907399774 638373891 /nfs/dbraw/zinc/37/38/91/638373891.db2.gz IDBZUZRLFZDGLO-XVKPBYJWSA-N 1 2 239.279 -0.791 20 0 BBADLO O=C(Cc1c[nH]c[nH+]1)NCC(F)(F)CO ZINC000907425698 638380247 /nfs/dbraw/zinc/38/02/47/638380247.db2.gz BRKLDKSRKBAOAI-UHFFFAOYSA-N 1 2 219.191 -0.304 20 0 BBADLO CNC(=O)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000907427667 638380903 /nfs/dbraw/zinc/38/09/03/638380903.db2.gz LZBCDBLYPPNTHY-UHFFFAOYSA-N 1 2 222.248 -0.843 20 0 BBADLO CNC(=O)C1CN(C(=O)CNc2cccc[nH+]2)C1 ZINC000907427734 638380629 /nfs/dbraw/zinc/38/06/29/638380629.db2.gz OZPNWWZKYQLPIE-UHFFFAOYSA-N 1 2 248.286 -0.302 20 0 BBADLO CC[N@@H+](CCO)CCNC(=O)c1[nH]ncc1F ZINC000907440773 638376537 /nfs/dbraw/zinc/37/65/37/638376537.db2.gz QHRMXTWOQRJWTB-UHFFFAOYSA-N 1 2 244.270 -0.407 20 0 BBADLO CC[N@H+](CCO)CCNC(=O)c1[nH]ncc1F ZINC000907440773 638376534 /nfs/dbraw/zinc/37/65/34/638376534.db2.gz QHRMXTWOQRJWTB-UHFFFAOYSA-N 1 2 244.270 -0.407 20 0 BBADLO C/C(=C\C(=O)NOCCO)C[NH+]1CCOCC1 ZINC000907483077 711815505 /nfs/dbraw/zinc/81/55/05/711815505.db2.gz MFILMLRRXCCPDA-CSKARUKUSA-N 1 2 244.291 -0.695 20 0 BBADLO C/C(=C/C(=O)NOCCO)C[NH+]1CCOCC1 ZINC000907483078 711815548 /nfs/dbraw/zinc/81/55/48/711815548.db2.gz MFILMLRRXCCPDA-NTMALXAHSA-N 1 2 244.291 -0.695 20 0 BBADLO Cn1nnnc1CNC(=O)CNc1cccc[nH+]1 ZINC000907519331 638401192 /nfs/dbraw/zinc/40/11/92/638401192.db2.gz MQMBDBOGHYNLFD-UHFFFAOYSA-N 1 2 247.262 -0.667 20 0 BBADLO O=C(Cc1c[nH+]c[nH]1)N1CC(NC(=O)C2CC2)C1 ZINC000907523334 638396570 /nfs/dbraw/zinc/39/65/70/638396570.db2.gz VWQPQKWNMIFDGF-UHFFFAOYSA-N 1 2 248.286 -0.311 20 0 BBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000907530419 638397105 /nfs/dbraw/zinc/39/71/05/638397105.db2.gz YEQXHKZALBWNFE-HLTSFMKQSA-N 1 2 248.286 -0.565 20 0 BBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000907530420 638396408 /nfs/dbraw/zinc/39/64/08/638396408.db2.gz YEQXHKZALBWNFE-YIZRAAEISA-N 1 2 248.286 -0.565 20 0 BBADLO C[C@@H]1C(=O)N(C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000907538392 638398317 /nfs/dbraw/zinc/39/83/17/638398317.db2.gz OTODIBVAHDASJB-MRVPVSSYSA-N 1 2 236.275 -0.359 20 0 BBADLO C[C@H]1C(=O)N(C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000907538394 638398976 /nfs/dbraw/zinc/39/89/76/638398976.db2.gz OTODIBVAHDASJB-QMMMGPOBSA-N 1 2 236.275 -0.359 20 0 BBADLO C[C@@H]1CN(C)C(=O)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000907606829 638420224 /nfs/dbraw/zinc/42/02/24/638420224.db2.gz FNHLUHFUPPJALD-MRVPVSSYSA-N 1 2 236.275 -0.359 20 0 BBADLO C[C@H]1CN(C)C(=O)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000907606830 638420067 /nfs/dbraw/zinc/42/00/67/638420067.db2.gz FNHLUHFUPPJALD-QMMMGPOBSA-N 1 2 236.275 -0.359 20 0 BBADLO COCCCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC000907607646 638408562 /nfs/dbraw/zinc/40/85/62/638408562.db2.gz WXCDOZXPMJNOMG-UHFFFAOYSA-N 1 2 241.291 -0.190 20 0 BBADLO CO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000907615121 638432494 /nfs/dbraw/zinc/43/24/94/638432494.db2.gz AARGNCUJIFSRJM-JTQLQIEISA-N 1 2 225.248 -0.217 20 0 BBADLO CO[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000907615122 638432927 /nfs/dbraw/zinc/43/29/27/638432927.db2.gz AARGNCUJIFSRJM-SNVBAGLBSA-N 1 2 225.248 -0.217 20 0 BBADLO CC(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000907644889 638431438 /nfs/dbraw/zinc/43/14/38/638431438.db2.gz YQPDRTQKQJGKEJ-UHFFFAOYSA-N 1 2 222.248 -0.701 20 0 BBADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H](CO)O1 ZINC000907652297 638434148 /nfs/dbraw/zinc/43/41/48/638434148.db2.gz NXAANJYGUPYWSE-PSASIEDQSA-N 1 2 239.275 -0.440 20 0 BBADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H](CO)O1 ZINC000907652298 638435146 /nfs/dbraw/zinc/43/51/46/638435146.db2.gz NXAANJYGUPYWSE-SCZZXKLOSA-N 1 2 239.275 -0.440 20 0 BBADLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H](CO)O1 ZINC000907652299 638434490 /nfs/dbraw/zinc/43/44/90/638434490.db2.gz NXAANJYGUPYWSE-WCBMZHEXSA-N 1 2 239.275 -0.440 20 0 BBADLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H](CO)O1 ZINC000907652300 638434524 /nfs/dbraw/zinc/43/45/24/638434524.db2.gz NXAANJYGUPYWSE-WPRPVWTQSA-N 1 2 239.275 -0.440 20 0 BBADLO CCN(C)C(=O)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000907679117 638443183 /nfs/dbraw/zinc/44/31/83/638443183.db2.gz IUOOZPVTNWJJTC-MRVPVSSYSA-N 1 2 238.291 -0.065 20 0 BBADLO CCN(C)C(=O)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000907679118 638444224 /nfs/dbraw/zinc/44/42/24/638444224.db2.gz IUOOZPVTNWJJTC-QMMMGPOBSA-N 1 2 238.291 -0.065 20 0 BBADLO CCN(CC(N)=O)C(=O)CNc1cccc[nH+]1 ZINC000907680717 638445105 /nfs/dbraw/zinc/44/51/05/638445105.db2.gz WWJFDOYOVCLWJG-UHFFFAOYSA-N 1 2 236.275 -0.173 20 0 BBADLO CCN1CN(C(=O)Cc2c[nH+]c[nH]2)CC1=O ZINC000907720034 638457883 /nfs/dbraw/zinc/45/78/83/638457883.db2.gz YIORQSSZBNFFOZ-UHFFFAOYSA-N 1 2 222.248 -0.400 20 0 BBADLO CO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1OC ZINC000907722512 638458032 /nfs/dbraw/zinc/45/80/32/638458032.db2.gz QNWMLOMUYLMWKK-AOOOYVTPSA-N 1 2 239.275 -0.176 20 0 BBADLO O=S(=O)(CCn1cc[nH+]c1)N1CC[C@@H]1CO ZINC000907831957 638481978 /nfs/dbraw/zinc/48/19/78/638481978.db2.gz LOAOIQBAYOEZJQ-SECBINFHSA-N 1 2 245.304 -0.721 20 0 BBADLO O=S(=O)(CCn1cc[nH+]c1)N1CC[C@H]1CO ZINC000907831958 638482710 /nfs/dbraw/zinc/48/27/10/638482710.db2.gz LOAOIQBAYOEZJQ-VIFPVBQESA-N 1 2 245.304 -0.721 20 0 BBADLO O=C(Cc1c[nH+]c[nH]1)N1CC(=O)N(CC2CC2)C1 ZINC000907848454 638486084 /nfs/dbraw/zinc/48/60/84/638486084.db2.gz XJUJUYVGTAJBIQ-UHFFFAOYSA-N 1 2 248.286 -0.010 20 0 BBADLO O=C(Cc1c[nH+]c[nH]1)N1CC(=O)N(C2CC2)C1 ZINC000907860977 638490456 /nfs/dbraw/zinc/49/04/56/638490456.db2.gz QMCLAJKNOXQZJS-UHFFFAOYSA-N 1 2 234.259 -0.257 20 0 BBADLO COC(=O)[C@@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000907891692 638501905 /nfs/dbraw/zinc/50/19/05/638501905.db2.gz VZQRCFBQNIOBNO-SSDOTTSWSA-N 1 2 225.248 -0.028 20 0 BBADLO COC[C@@H](CO)NC(=O)CNc1cccc[nH+]1 ZINC000907894408 638503667 /nfs/dbraw/zinc/50/36/67/638503667.db2.gz SSPMINFFFBSKLA-SECBINFHSA-N 1 2 239.275 -0.383 20 0 BBADLO COC[C@H](CO)NC(=O)CNc1cccc[nH+]1 ZINC000907894431 638502972 /nfs/dbraw/zinc/50/29/72/638502972.db2.gz SSPMINFFFBSKLA-VIFPVBQESA-N 1 2 239.275 -0.383 20 0 BBADLO C[C@](O)(CO)CNC(=O)CNc1cccc[nH+]1 ZINC000907916917 638512073 /nfs/dbraw/zinc/51/20/73/638512073.db2.gz FROILEVPUDTFLR-LLVKDONJSA-N 1 2 239.275 -0.647 20 0 BBADLO C[C@@](O)(CO)CNC(=O)CNc1cccc[nH+]1 ZINC000907916918 638513250 /nfs/dbraw/zinc/51/32/50/638513250.db2.gz FROILEVPUDTFLR-NSHDSACASA-N 1 2 239.275 -0.647 20 0 BBADLO COC(=O)[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000907933793 638525822 /nfs/dbraw/zinc/52/58/22/638525822.db2.gz VZQRCFBQNIOBNO-ZETCQYMHSA-N 1 2 225.248 -0.028 20 0 BBADLO CCN(CCOCCO)C(=O)Cc1c[nH+]c[nH]1 ZINC000908022180 638550110 /nfs/dbraw/zinc/55/01/10/638550110.db2.gz SVFDSDKIGIVSDK-UHFFFAOYSA-N 1 2 241.291 -0.190 20 0 BBADLO O=C(CCF)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000908030505 638548388 /nfs/dbraw/zinc/54/83/88/638548388.db2.gz XGEJGQBTSZLAHI-JTQLQIEISA-N 1 2 229.299 -0.148 20 0 BBADLO O=C(CCF)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000908030505 638548383 /nfs/dbraw/zinc/54/83/83/638548383.db2.gz XGEJGQBTSZLAHI-JTQLQIEISA-N 1 2 229.299 -0.148 20 0 BBADLO O=C(CCF)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000908030506 638548720 /nfs/dbraw/zinc/54/87/20/638548720.db2.gz XGEJGQBTSZLAHI-SNVBAGLBSA-N 1 2 229.299 -0.148 20 0 BBADLO O=C(CCF)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000908030506 638548716 /nfs/dbraw/zinc/54/87/16/638548716.db2.gz XGEJGQBTSZLAHI-SNVBAGLBSA-N 1 2 229.299 -0.148 20 0 BBADLO CCC1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000908054762 638552010 /nfs/dbraw/zinc/55/20/10/638552010.db2.gz ANIVWOCXBVUPJP-UHFFFAOYSA-N 1 2 209.249 -0.065 20 0 BBADLO COC[C@H](O)CNC(=O)CNc1cccc[nH+]1 ZINC000908061367 638555864 /nfs/dbraw/zinc/55/58/64/638555864.db2.gz HGENMCTZZZVSFM-SECBINFHSA-N 1 2 239.275 -0.383 20 0 BBADLO COC[C@@H](O)CNC(=O)CNc1cccc[nH+]1 ZINC000908061368 638556896 /nfs/dbraw/zinc/55/68/96/638556896.db2.gz HGENMCTZZZVSFM-VIFPVBQESA-N 1 2 239.275 -0.383 20 0 BBADLO CCN1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC000908065769 638565241 /nfs/dbraw/zinc/56/52/41/638565241.db2.gz YMVARJGHWXWWBB-SECBINFHSA-N 1 2 236.275 -0.311 20 0 BBADLO CCN1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC000908065770 638565135 /nfs/dbraw/zinc/56/51/35/638565135.db2.gz YMVARJGHWXWWBB-VIFPVBQESA-N 1 2 236.275 -0.311 20 0 BBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000908135784 638581170 /nfs/dbraw/zinc/58/11/70/638581170.db2.gz YXKXHOHBIHJYTJ-QNSHHTMESA-N 1 2 248.286 -0.565 20 0 BBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000908135785 638580349 /nfs/dbraw/zinc/58/03/49/638580349.db2.gz YXKXHOHBIHJYTJ-SFGNSQDASA-N 1 2 248.286 -0.565 20 0 BBADLO CN(CCC(N)=O)C(=O)CNc1cccc[nH+]1 ZINC000908171417 638585973 /nfs/dbraw/zinc/58/59/73/638585973.db2.gz XJCHZVKWKDVNEQ-UHFFFAOYSA-N 1 2 236.275 -0.173 20 0 BBADLO Cn1ncc(CNC(=O)CNc2cccc[nH+]2)n1 ZINC000908186935 638596867 /nfs/dbraw/zinc/59/68/67/638596867.db2.gz YRGGJTQJJUEDAL-UHFFFAOYSA-N 1 2 246.274 -0.062 20 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-0.791 20 0 BBADLO Cn1cnc(NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)n1 ZINC000908378336 638675042 /nfs/dbraw/zinc/67/50/42/638675042.db2.gz WEIYFWWXVTWSII-OIBJUYFYSA-N 1 2 239.279 -0.791 20 0 BBADLO Cn1cnc(NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)n1 ZINC000908378336 638675029 /nfs/dbraw/zinc/67/50/29/638675029.db2.gz WEIYFWWXVTWSII-OIBJUYFYSA-N 1 2 239.279 -0.791 20 0 BBADLO Cn1cnc(NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)n1 ZINC000908378338 638675887 /nfs/dbraw/zinc/67/58/87/638675887.db2.gz WEIYFWWXVTWSII-XCBNKYQSSA-N 1 2 239.279 -0.791 20 0 BBADLO Cn1cnc(NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)n1 ZINC000908378338 638675882 /nfs/dbraw/zinc/67/58/82/638675882.db2.gz WEIYFWWXVTWSII-XCBNKYQSSA-N 1 2 239.279 -0.791 20 0 BBADLO Cn1cnc(NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)n1 ZINC000908378339 638676178 /nfs/dbraw/zinc/67/61/78/638676178.db2.gz WEIYFWWXVTWSII-XVKPBYJWSA-N 1 2 239.279 -0.791 20 0 BBADLO Cn1cnc(NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)n1 ZINC000908378339 638676172 /nfs/dbraw/zinc/67/61/72/638676172.db2.gz WEIYFWWXVTWSII-XVKPBYJWSA-N 1 2 239.279 -0.791 20 0 BBADLO CCNC(=O)NCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000908385790 638683231 /nfs/dbraw/zinc/68/32/31/638683231.db2.gz NMHNMEMENWIGJS-UHFFFAOYSA-N 1 2 239.279 -0.613 20 0 BBADLO CC[N@H+]1CCO[C@H](C(=O)NC2CC(=O)C2)C1 ZINC000908472518 638738634 /nfs/dbraw/zinc/73/86/34/638738634.db2.gz LYWRKQAIKZMXTH-JTQLQIEISA-N 1 2 226.276 -0.445 20 0 BBADLO CC[N@@H+]1CCO[C@H](C(=O)NC2CC(=O)C2)C1 ZINC000908472518 638738630 /nfs/dbraw/zinc/73/86/30/638738630.db2.gz LYWRKQAIKZMXTH-JTQLQIEISA-N 1 2 226.276 -0.445 20 0 BBADLO CC[N@H+]1CCO[C@@H](C(=O)NC2CC(=O)C2)C1 ZINC000908472519 638738233 /nfs/dbraw/zinc/73/82/33/638738233.db2.gz LYWRKQAIKZMXTH-SNVBAGLBSA-N 1 2 226.276 -0.445 20 0 BBADLO CC[N@@H+]1CCO[C@@H](C(=O)NC2CC(=O)C2)C1 ZINC000908472519 638738232 /nfs/dbraw/zinc/73/82/32/638738232.db2.gz LYWRKQAIKZMXTH-SNVBAGLBSA-N 1 2 226.276 -0.445 20 0 BBADLO C[C@H](C(=O)NC1CC(=O)C1)N1CC[NH+](C)CC1 ZINC000908472968 638740229 /nfs/dbraw/zinc/74/02/29/638740229.db2.gz REXYDYRYKKBBKY-SECBINFHSA-N 1 2 239.319 -0.530 20 0 BBADLO C[C@@H](C(=O)NC1CC(=O)C1)N1CC[NH+](C)CC1 ZINC000908472969 638739798 /nfs/dbraw/zinc/73/97/98/638739798.db2.gz REXYDYRYKKBBKY-VIFPVBQESA-N 1 2 239.319 -0.530 20 0 BBADLO CC[NH+]1CCN(CC(=O)NC2CC(=O)C2)CC1 ZINC000908473146 638739822 /nfs/dbraw/zinc/73/98/22/638739822.db2.gz UGCXZKZTOFLNHC-UHFFFAOYSA-N 1 2 239.319 -0.528 20 0 BBADLO C[C@H](C[NH+]1CCOCC1)C(=O)NC1CC(=O)C1 ZINC000908473251 638739885 /nfs/dbraw/zinc/73/98/85/638739885.db2.gz WBQJZVXAFTULJV-SECBINFHSA-N 1 2 240.303 -0.198 20 0 BBADLO C[C@@H](C[NH+]1CCOCC1)C(=O)NC1CC(=O)C1 ZINC000908473252 638739725 /nfs/dbraw/zinc/73/97/25/638739725.db2.gz WBQJZVXAFTULJV-VIFPVBQESA-N 1 2 240.303 -0.198 20 0 BBADLO O=C(CC[NH+]1CCOCC1)NC1CC(=O)C1 ZINC000908475088 638745859 /nfs/dbraw/zinc/74/58/59/638745859.db2.gz OJMPEQFNYHEPHB-UHFFFAOYSA-N 1 2 226.276 -0.444 20 0 BBADLO O=C(CNc1cccc[nH+]1)N1CC(O)(CO)C1 ZINC000908477877 638747703 /nfs/dbraw/zinc/74/77/03/638747703.db2.gz FHSHODFMCUNHTD-UHFFFAOYSA-N 1 2 237.259 -0.941 20 0 BBADLO CC[C@@H](NC(=O)CNc1cccc[nH+]1)C(N)=O ZINC000908520122 638994819 /nfs/dbraw/zinc/99/48/19/638994819.db2.gz MNTUFQKSKYQFQD-MRVPVSSYSA-N 1 2 236.275 -0.126 20 0 BBADLO O=C(Cc1c[nH+]c[nH]1)N1CCOCCN1 ZINC000908528499 638998845 /nfs/dbraw/zinc/99/88/45/638998845.db2.gz TZKLBDHDQXKGIC-UHFFFAOYSA-N 1 2 210.237 -0.684 20 0 BBADLO O=C(CNc1cccc[nH+]1)N1CCOCCN1 ZINC000908529965 638995796 /nfs/dbraw/zinc/99/57/96/638995796.db2.gz SFZXXVZXEQOADT-UHFFFAOYSA-N 1 2 236.275 -0.143 20 0 BBADLO O=C(CNc1cccc[nH+]1)N[C@H]1CCCNC1=O ZINC000908559697 639015951 /nfs/dbraw/zinc/01/59/51/639015951.db2.gz GDGURAUSFAHWRE-VIFPVBQESA-N 1 2 248.286 -0.112 20 0 BBADLO COCC1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000908565592 639017255 /nfs/dbraw/zinc/01/72/55/639017255.db2.gz FYVOPWRFBLUCDO-UHFFFAOYSA-N 1 2 225.248 -0.828 20 0 BBADLO COC(=O)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000908758532 639062741 /nfs/dbraw/zinc/06/27/41/639062741.db2.gz NDXNQDNKYPKQLG-SSDOTTSWSA-N 1 2 223.232 -0.513 20 0 BBADLO COC(=O)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000908758533 639063530 /nfs/dbraw/zinc/06/35/30/639063530.db2.gz NDXNQDNKYPKQLG-ZETCQYMHSA-N 1 2 223.232 -0.513 20 0 BBADLO C/C=C\[C@H](O)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000908759008 639063136 /nfs/dbraw/zinc/06/31/36/639063136.db2.gz VVMZHOKPWOPSLY-AARLMMRRSA-N 1 2 221.260 -0.139 20 0 BBADLO C/C=C/[C@H](O)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000908759009 639063378 /nfs/dbraw/zinc/06/33/78/639063378.db2.gz VVMZHOKPWOPSLY-DWNUIHGBSA-N 1 2 221.260 -0.139 20 0 BBADLO C/C=C/[C@H](O)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000908759010 639063423 /nfs/dbraw/zinc/06/34/23/639063423.db2.gz VVMZHOKPWOPSLY-QZWDGIGVSA-N 1 2 221.260 -0.139 20 0 BBADLO C/C=C\[C@H](O)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000908759011 639063011 /nfs/dbraw/zinc/06/30/11/639063011.db2.gz VVMZHOKPWOPSLY-SXAXMNFYSA-N 1 2 221.260 -0.139 20 0 BBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000908761859 639063307 /nfs/dbraw/zinc/06/33/07/639063307.db2.gz YSBUDXAMZWDRFF-VDAHYXPESA-N 1 2 234.259 -0.955 20 0 BBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000908761860 639063781 /nfs/dbraw/zinc/06/37/81/639063781.db2.gz YSBUDXAMZWDRFF-ZQARSLAVSA-N 1 2 234.259 -0.955 20 0 BBADLO O=C(Nn1ccnn1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000908821411 639068555 /nfs/dbraw/zinc/06/85/55/639068555.db2.gz KSEOUJNSZNNNLB-RNFRBKRXSA-N 1 2 218.220 -0.125 20 0 BBADLO O=C(Nn1ccnn1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000908821411 639068553 /nfs/dbraw/zinc/06/85/53/639068553.db2.gz KSEOUJNSZNNNLB-RNFRBKRXSA-N 1 2 218.220 -0.125 20 0 BBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nn1ccnn1 ZINC000908826357 639071590 /nfs/dbraw/zinc/07/15/90/639071590.db2.gz DKFIUGYSBPGIGW-HTQZYQBOSA-N 1 2 232.247 -0.115 20 0 BBADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nn1ccnn1 ZINC000908827559 639071226 /nfs/dbraw/zinc/07/12/26/639071226.db2.gz JQZMUEWHOFCTIO-SSDOTTSWSA-N 1 2 220.236 -0.050 20 0 BBADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nn1ccnn1 ZINC000908827559 639071223 /nfs/dbraw/zinc/07/12/23/639071223.db2.gz JQZMUEWHOFCTIO-SSDOTTSWSA-N 1 2 220.236 -0.050 20 0 BBADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nn1ccnn1 ZINC000908827571 639070945 /nfs/dbraw/zinc/07/09/45/639070945.db2.gz JQZMUEWHOFCTIO-ZETCQYMHSA-N 1 2 220.236 -0.050 20 0 BBADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nn1ccnn1 ZINC000908827571 639070941 /nfs/dbraw/zinc/07/09/41/639070941.db2.gz JQZMUEWHOFCTIO-ZETCQYMHSA-N 1 2 220.236 -0.050 20 0 BBADLO O=C(C=CC[NH+]1CCOCC1)Nn1ccnn1 ZINC000908828691 639072788 /nfs/dbraw/zinc/07/27/88/639072788.db2.gz KUHVGJCQECRMLY-OWOJBTEDSA-N 1 2 237.263 -0.763 20 0 BBADLO O=C(C=CC[NH+]1CCOCC1)Nn1ccnn1 ZINC000908828692 639072477 /nfs/dbraw/zinc/07/24/77/639072477.db2.gz KUHVGJCQECRMLY-UPHRSURJSA-N 1 2 237.263 -0.763 20 0 BBADLO O=C(Nn1ccnn1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000908828721 639073152 /nfs/dbraw/zinc/07/31/52/639073152.db2.gz QKLLWQRICVZPIF-MRVPVSSYSA-N 1 2 232.247 -0.193 20 0 BBADLO O=C(Nn1ccnn1)[C@H]1CCc2[nH+]ccn2C1 ZINC000908828722 639073414 /nfs/dbraw/zinc/07/34/14/639073414.db2.gz QKLLWQRICVZPIF-QMMMGPOBSA-N 1 2 232.247 -0.193 20 0 BBADLO O=C(Nn1ccnn1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000908828776 639072322 /nfs/dbraw/zinc/07/23/22/639072322.db2.gz RQKLSCKLTPWJMG-MRVPVSSYSA-N 1 2 232.247 -0.193 20 0 BBADLO O=C(Nn1ccnn1)[C@H]1CCn2cc[nH+]c2C1 ZINC000908828777 639073036 /nfs/dbraw/zinc/07/30/36/639073036.db2.gz RQKLSCKLTPWJMG-QMMMGPOBSA-N 1 2 232.247 -0.193 20 0 BBADLO O=C(Nn1ccnn1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000908830154 639080304 /nfs/dbraw/zinc/08/03/04/639080304.db2.gz QJYCFIYAYPYHEJ-MRVPVSSYSA-N 1 2 232.247 -0.193 20 0 BBADLO O=C(Nn1ccnn1)[C@H]1CCc2c[nH+]cn2C1 ZINC000908830156 639080584 /nfs/dbraw/zinc/08/05/84/639080584.db2.gz QJYCFIYAYPYHEJ-QMMMGPOBSA-N 1 2 232.247 -0.193 20 0 BBADLO O=C(CCc1[nH]cc[nH+]1)Nn1ccnn1 ZINC000908830576 639080948 /nfs/dbraw/zinc/08/09/48/639080948.db2.gz CTFXARNHGNTNRZ-UHFFFAOYSA-N 1 2 206.209 -0.296 20 0 BBADLO Cc1[nH+]c[nH]c1CC(=O)Nn1ccnn1 ZINC000908831418 639080738 /nfs/dbraw/zinc/08/07/38/639080738.db2.gz JYJDMNOLWJQGEK-UHFFFAOYSA-N 1 2 206.209 -0.378 20 0 BBADLO CN(C)[C@@H](C(=O)Nn1ccnn1)c1c[nH+]cn1C ZINC000908832188 639080350 /nfs/dbraw/zinc/08/03/50/639080350.db2.gz WWYKCAFLERPXSZ-SECBINFHSA-N 1 2 249.278 -0.615 20 0 BBADLO CN(C)[C@H](C(=O)Nn1ccnn1)c1c[nH+]cn1C ZINC000908832189 639080834 /nfs/dbraw/zinc/08/08/34/639080834.db2.gz WWYKCAFLERPXSZ-VIFPVBQESA-N 1 2 249.278 -0.615 20 0 BBADLO Cn1c[nH+]cc1CCC(=O)Nn1ccnn1 ZINC000908832407 639080367 /nfs/dbraw/zinc/08/03/67/639080367.db2.gz COYLHXAVVKQVPF-UHFFFAOYSA-N 1 2 220.236 -0.286 20 0 BBADLO O=C(CCc1c[nH+]c[nH]1)Nn1ccnn1 ZINC000908832621 639080073 /nfs/dbraw/zinc/08/00/73/639080073.db2.gz KDAZFGWAXXGLTF-UHFFFAOYSA-N 1 2 206.209 -0.296 20 0 BBADLO O=C(CCc1c[nH]c[nH+]1)Nn1ccnn1 ZINC000908832621 639080070 /nfs/dbraw/zinc/08/00/70/639080070.db2.gz KDAZFGWAXXGLTF-UHFFFAOYSA-N 1 2 206.209 -0.296 20 0 BBADLO Cn1c[nH+]cc1CC(=O)Nn1ccnn1 ZINC000908833080 639081575 /nfs/dbraw/zinc/08/15/75/639081575.db2.gz ZJCBDMXNHDDCSY-UHFFFAOYSA-N 1 2 206.209 -0.676 20 0 BBADLO O=C(Nn1ccnn1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000908833181 639082111 /nfs/dbraw/zinc/08/21/11/639082111.db2.gz DQJWZRHFWSSIAP-MRVPVSSYSA-N 1 2 232.247 -0.193 20 0 BBADLO O=C(Nn1ccnn1)[C@H]1CCn2c[nH+]cc2C1 ZINC000908833182 639081843 /nfs/dbraw/zinc/08/18/43/639081843.db2.gz DQJWZRHFWSSIAP-QMMMGPOBSA-N 1 2 232.247 -0.193 20 0 BBADLO O=C(CCn1cc[nH+]c1)Nn1ccnn1 ZINC000908833883 639073113 /nfs/dbraw/zinc/07/31/13/639073113.db2.gz FEBBIGHQMYWOKX-UHFFFAOYSA-N 1 2 206.209 -0.365 20 0 BBADLO C[C@H](C(=O)Nn1ccnn1)[NH+]1CCSCC1 ZINC000908835544 639075521 /nfs/dbraw/zinc/07/55/21/639075521.db2.gz UNGNJYDGIBOFNH-MRVPVSSYSA-N 1 2 241.320 -0.215 20 0 BBADLO C[C@@H](C(=O)Nn1ccnn1)[NH+]1CCSCC1 ZINC000908835545 639075985 /nfs/dbraw/zinc/07/59/85/639075985.db2.gz UNGNJYDGIBOFNH-QMMMGPOBSA-N 1 2 241.320 -0.215 20 0 BBADLO CCN1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1=O ZINC000909008747 639111909 /nfs/dbraw/zinc/11/19/09/639111909.db2.gz QNOKMYPMHFVNJB-SECBINFHSA-N 1 2 236.275 -0.311 20 0 BBADLO CCN1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1=O ZINC000909008748 639112501 /nfs/dbraw/zinc/11/25/01/639112501.db2.gz QNOKMYPMHFVNJB-VIFPVBQESA-N 1 2 236.275 -0.311 20 0 BBADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC(=O)N1 ZINC000909012828 639112569 /nfs/dbraw/zinc/11/25/69/639112569.db2.gz CANCATJYGTYBPW-SSDOTTSWSA-N 1 2 222.248 -0.701 20 0 BBADLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC(=O)N1 ZINC000909012829 639112103 /nfs/dbraw/zinc/11/21/03/639112103.db2.gz CANCATJYGTYBPW-ZETCQYMHSA-N 1 2 222.248 -0.701 20 0 BBADLO C[C@@H]1CN(C(=O)CNc2cccc[nH+]2)CC(=O)N1 ZINC000909017914 639126656 /nfs/dbraw/zinc/12/66/56/639126656.db2.gz SBSXEPGCJUYQTL-SECBINFHSA-N 1 2 248.286 -0.160 20 0 BBADLO C[C@H]1CN(C(=O)CNc2cccc[nH+]2)CC(=O)N1 ZINC000909017915 639126002 /nfs/dbraw/zinc/12/60/02/639126002.db2.gz SBSXEPGCJUYQTL-VIFPVBQESA-N 1 2 248.286 -0.160 20 0 BBADLO COCC(COC)NC(=O)Cc1c[nH]c[nH+]1 ZINC000909027294 639119483 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/nfs/dbraw/zinc/39/10/69/640391069.db2.gz AWKFFCXBCUFXFD-VHSXEESVSA-N 1 2 230.308 -0.862 20 0 BBADLO CC(C)[C@@H](O)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913543155 640391063 /nfs/dbraw/zinc/39/10/63/640391063.db2.gz AWKFFCXBCUFXFD-VHSXEESVSA-N 1 2 230.308 -0.862 20 0 BBADLO C[N@H+]1CCN(C(=O)[C@](C)(O)C2CC2)C[C@H]1CO ZINC000913543595 640391495 /nfs/dbraw/zinc/39/14/95/640391495.db2.gz LYLIESDZGFOCMT-CMPLNLGQSA-N 1 2 242.319 -0.718 20 0 BBADLO C[N@@H+]1CCN(C(=O)[C@](C)(O)C2CC2)C[C@H]1CO ZINC000913543595 640391492 /nfs/dbraw/zinc/39/14/92/640391492.db2.gz LYLIESDZGFOCMT-CMPLNLGQSA-N 1 2 242.319 -0.718 20 0 BBADLO C[N@H+]1CCN(C(=O)[C@@](C)(O)C2CC2)C[C@H]1CO ZINC000913543596 640392240 /nfs/dbraw/zinc/39/22/40/640392240.db2.gz LYLIESDZGFOCMT-JQWIXIFHSA-N 1 2 242.319 -0.718 20 0 BBADLO C[N@@H+]1CCN(C(=O)[C@@](C)(O)C2CC2)C[C@H]1CO ZINC000913543596 640392234 /nfs/dbraw/zinc/39/22/34/640392234.db2.gz LYLIESDZGFOCMT-JQWIXIFHSA-N 1 2 242.319 -0.718 20 0 BBADLO C[N@H+]1CCN(C(=O)[C@@](C)(O)C2CC2)C[C@@H]1CO ZINC000913543597 640393677 /nfs/dbraw/zinc/39/36/77/640393677.db2.gz LYLIESDZGFOCMT-PWSUYJOCSA-N 1 2 242.319 -0.718 20 0 BBADLO C[N@@H+]1CCN(C(=O)[C@@](C)(O)C2CC2)C[C@@H]1CO ZINC000913543597 640393671 /nfs/dbraw/zinc/39/36/71/640393671.db2.gz LYLIESDZGFOCMT-PWSUYJOCSA-N 1 2 242.319 -0.718 20 0 BBADLO C[N@H+]1CCN(C(=O)[C@](C)(O)C2CC2)C[C@@H]1CO ZINC000913543598 640391314 /nfs/dbraw/zinc/39/13/14/640391314.db2.gz LYLIESDZGFOCMT-ZYHUDNBSSA-N 1 2 242.319 -0.718 20 0 BBADLO C[N@@H+]1CCN(C(=O)[C@](C)(O)C2CC2)C[C@@H]1CO ZINC000913543598 640391308 /nfs/dbraw/zinc/39/13/08/640391308.db2.gz LYLIESDZGFOCMT-ZYHUDNBSSA-N 1 2 242.319 -0.718 20 0 BBADLO C[N@H+]1CCN(C(=O)C(C)(C)CO)C[C@@H]1CO ZINC000913544610 640394159 /nfs/dbraw/zinc/39/41/59/640394159.db2.gz IYKSLXMVCDNJCW-SECBINFHSA-N 1 2 230.308 -0.860 20 0 BBADLO C[N@@H+]1CCN(C(=O)C(C)(C)CO)C[C@@H]1CO ZINC000913544610 640394154 /nfs/dbraw/zinc/39/41/54/640394154.db2.gz IYKSLXMVCDNJCW-SECBINFHSA-N 1 2 230.308 -0.860 20 0 BBADLO C[N@H+]1CCN(C(=O)C(C)(C)CO)C[C@H]1CO ZINC000913544611 640392178 /nfs/dbraw/zinc/39/21/78/640392178.db2.gz IYKSLXMVCDNJCW-VIFPVBQESA-N 1 2 230.308 -0.860 20 0 BBADLO C[N@@H+]1CCN(C(=O)C(C)(C)CO)C[C@H]1CO ZINC000913544611 640392174 /nfs/dbraw/zinc/39/21/74/640392174.db2.gz IYKSLXMVCDNJCW-VIFPVBQESA-N 1 2 230.308 -0.860 20 0 BBADLO Cc1nc(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)co1 ZINC000913544698 640391043 /nfs/dbraw/zinc/39/10/43/640391043.db2.gz KIFOIUPDYYXPOH-SECBINFHSA-N 1 2 239.275 -0.268 20 0 BBADLO Cc1nc(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)co1 ZINC000913544698 640391036 /nfs/dbraw/zinc/39/10/36/640391036.db2.gz KIFOIUPDYYXPOH-SECBINFHSA-N 1 2 239.275 -0.268 20 0 BBADLO Cc1nc(C(=O)N2CC[N@H+](C)[C@H](CO)C2)co1 ZINC000913544699 640393397 /nfs/dbraw/zinc/39/33/97/640393397.db2.gz KIFOIUPDYYXPOH-VIFPVBQESA-N 1 2 239.275 -0.268 20 0 BBADLO Cc1nc(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)co1 ZINC000913544699 640393392 /nfs/dbraw/zinc/39/33/92/640393392.db2.gz 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/nfs/dbraw/zinc/39/16/43/640391643.db2.gz MJSIBCQSIQCMRR-QWRGUYRKSA-N 1 2 244.335 -0.208 20 0 BBADLO CO[C@@H](C(=O)N1CC[N@@H+](C)[C@H](CO)C1)C(C)C ZINC000913544793 640392781 /nfs/dbraw/zinc/39/27/81/640392781.db2.gz MJSIBCQSIQCMRR-WDEREUQCSA-N 1 2 244.335 -0.208 20 0 BBADLO CO[C@@H](C(=O)N1CC[N@H+](C)[C@H](CO)C1)C(C)C ZINC000913544793 640392775 /nfs/dbraw/zinc/39/27/75/640392775.db2.gz MJSIBCQSIQCMRR-WDEREUQCSA-N 1 2 244.335 -0.208 20 0 BBADLO COC1(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)CCC1 ZINC000913545829 640389117 /nfs/dbraw/zinc/38/91/17/640389117.db2.gz BHINEEYLPRJYRO-JTQLQIEISA-N 1 2 242.319 -0.310 20 0 BBADLO COC1(C(=O)N2CC[N@H+](C)[C@H](CO)C2)CCC1 ZINC000913545829 640389108 /nfs/dbraw/zinc/38/91/08/640389108.db2.gz BHINEEYLPRJYRO-JTQLQIEISA-N 1 2 242.319 -0.310 20 0 BBADLO COC1(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CCC1 ZINC000913545830 640389483 /nfs/dbraw/zinc/38/94/83/640389483.db2.gz BHINEEYLPRJYRO-SNVBAGLBSA-N 1 2 242.319 -0.310 20 0 BBADLO COC1(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)CCC1 ZINC000913545830 640389475 /nfs/dbraw/zinc/38/94/75/640389475.db2.gz BHINEEYLPRJYRO-SNVBAGLBSA-N 1 2 242.319 -0.310 20 0 BBADLO C[N@H+]1CCN(C(=O)C2(O)CCC2)C[C@@H]1CO ZINC000913546027 640388970 /nfs/dbraw/zinc/38/89/70/640388970.db2.gz FXPQNOSWPZMINN-SECBINFHSA-N 1 2 228.292 -0.964 20 0 BBADLO C[N@@H+]1CCN(C(=O)C2(O)CCC2)C[C@@H]1CO ZINC000913546027 640388964 /nfs/dbraw/zinc/38/89/64/640388964.db2.gz FXPQNOSWPZMINN-SECBINFHSA-N 1 2 228.292 -0.964 20 0 BBADLO C[N@H+]1CCN(C(=O)C2(O)CCC2)C[C@H]1CO ZINC000913546028 640386502 /nfs/dbraw/zinc/38/65/02/640386502.db2.gz FXPQNOSWPZMINN-VIFPVBQESA-N 1 2 228.292 -0.964 20 0 BBADLO C[N@@H+]1CCN(C(=O)C2(O)CCC2)C[C@H]1CO ZINC000913546028 640386498 /nfs/dbraw/zinc/38/64/98/640386498.db2.gz FXPQNOSWPZMINN-VIFPVBQESA-N 1 2 228.292 -0.964 20 0 BBADLO C[N@H+]1CCN(C(=O)[C@H]2CCC=CO2)C[C@@H]1CO ZINC000913546272 640389451 /nfs/dbraw/zinc/38/94/51/640389451.db2.gz LKAMYIROFVISPD-GHMZBOCLSA-N 1 2 240.303 -0.186 20 0 BBADLO C[N@@H+]1CCN(C(=O)[C@H]2CCC=CO2)C[C@@H]1CO ZINC000913546272 640389441 /nfs/dbraw/zinc/38/94/41/640389441.db2.gz LKAMYIROFVISPD-GHMZBOCLSA-N 1 2 240.303 -0.186 20 0 BBADLO C[N@H+]1CCN(C(=O)[C@@H]2CCC=CO2)C[C@@H]1CO ZINC000913546273 640387245 /nfs/dbraw/zinc/38/72/45/640387245.db2.gz LKAMYIROFVISPD-MNOVXSKESA-N 1 2 240.303 -0.186 20 0 BBADLO C[N@@H+]1CCN(C(=O)[C@@H]2CCC=CO2)C[C@@H]1CO ZINC000913546273 640387240 /nfs/dbraw/zinc/38/72/40/640387240.db2.gz LKAMYIROFVISPD-MNOVXSKESA-N 1 2 240.303 -0.186 20 0 BBADLO C[N@H+]1CCN(C(=O)[C@@H]2CCC=CO2)C[C@H]1CO ZINC000913546274 640387649 /nfs/dbraw/zinc/38/76/49/640387649.db2.gz LKAMYIROFVISPD-QWRGUYRKSA-N 1 2 240.303 -0.186 20 0 BBADLO C[N@@H+]1CCN(C(=O)[C@@H]2CCC=CO2)C[C@H]1CO ZINC000913546274 640387647 /nfs/dbraw/zinc/38/76/47/640387647.db2.gz LKAMYIROFVISPD-QWRGUYRKSA-N 1 2 240.303 -0.186 20 0 BBADLO C[N@H+]1CCN(C(=O)[C@H]2CCC=CO2)C[C@H]1CO ZINC000913546275 640388777 /nfs/dbraw/zinc/38/87/77/640388777.db2.gz LKAMYIROFVISPD-WDEREUQCSA-N 1 2 240.303 -0.186 20 0 BBADLO C[N@@H+]1CCN(C(=O)[C@H]2CCC=CO2)C[C@H]1CO ZINC000913546275 640388772 /nfs/dbraw/zinc/38/87/72/640388772.db2.gz LKAMYIROFVISPD-WDEREUQCSA-N 1 2 240.303 -0.186 20 0 BBADLO C[C@H]1C[C@@H]1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913546415 640386675 /nfs/dbraw/zinc/38/66/75/640386675.db2.gz PCZZNXISVBLEHH-AEJSXWLSSA-N 1 2 212.293 -0.223 20 0 BBADLO C[C@H]1C[C@@H]1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913546415 640386673 /nfs/dbraw/zinc/38/66/73/640386673.db2.gz PCZZNXISVBLEHH-AEJSXWLSSA-N 1 2 212.293 -0.223 20 0 BBADLO C[C@H]1C[C@@H]1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913546416 640387601 /nfs/dbraw/zinc/38/76/01/640387601.db2.gz PCZZNXISVBLEHH-GUBZILKMSA-N 1 2 212.293 -0.223 20 0 BBADLO C[C@H]1C[C@@H]1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913546416 640387595 /nfs/dbraw/zinc/38/75/95/640387595.db2.gz PCZZNXISVBLEHH-GUBZILKMSA-N 1 2 212.293 -0.223 20 0 BBADLO COCC1(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)CC1 ZINC000913546471 640386915 /nfs/dbraw/zinc/38/69/15/640386915.db2.gz QBSQFJSMUJCYQK-JTQLQIEISA-N 1 2 242.319 -0.452 20 0 BBADLO COCC1(C(=O)N2CC[N@H+](C)[C@H](CO)C2)CC1 ZINC000913546471 640386908 /nfs/dbraw/zinc/38/69/08/640386908.db2.gz QBSQFJSMUJCYQK-JTQLQIEISA-N 1 2 242.319 -0.452 20 0 BBADLO COCC1(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CC1 ZINC000913546472 640387804 /nfs/dbraw/zinc/38/78/04/640387804.db2.gz QBSQFJSMUJCYQK-SNVBAGLBSA-N 1 2 242.319 -0.452 20 0 BBADLO COCC1(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)CC1 ZINC000913546472 640387799 /nfs/dbraw/zinc/38/77/99/640387799.db2.gz QBSQFJSMUJCYQK-SNVBAGLBSA-N 1 2 242.319 -0.452 20 0 BBADLO C[N@H+]1CCN(C(=O)C2(C)COC2)C[C@@H]1CO ZINC000913546511 640387585 /nfs/dbraw/zinc/38/75/85/640387585.db2.gz RCQWWMYFQIDUQY-SECBINFHSA-N 1 2 228.292 -0.842 20 0 BBADLO C[N@@H+]1CCN(C(=O)C2(C)COC2)C[C@@H]1CO ZINC000913546511 640387581 /nfs/dbraw/zinc/38/75/81/640387581.db2.gz RCQWWMYFQIDUQY-SECBINFHSA-N 1 2 228.292 -0.842 20 0 BBADLO C[N@H+]1CCN(C(=O)C2(C)COC2)C[C@H]1CO ZINC000913546512 640386711 /nfs/dbraw/zinc/38/67/11/640386711.db2.gz RCQWWMYFQIDUQY-VIFPVBQESA-N 1 2 228.292 -0.842 20 0 BBADLO C[N@@H+]1CCN(C(=O)C2(C)COC2)C[C@H]1CO ZINC000913546512 640386706 /nfs/dbraw/zinc/38/67/06/640386706.db2.gz RCQWWMYFQIDUQY-VIFPVBQESA-N 1 2 228.292 -0.842 20 0 BBADLO COCC(C)(C)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913547009 640386525 /nfs/dbraw/zinc/38/65/25/640386525.db2.gz CLXVNYMQSHJQII-JTQLQIEISA-N 1 2 244.335 -0.206 20 0 BBADLO COCC(C)(C)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913547009 640386520 /nfs/dbraw/zinc/38/65/20/640386520.db2.gz CLXVNYMQSHJQII-JTQLQIEISA-N 1 2 244.335 -0.206 20 0 BBADLO COCC(C)(C)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913547010 640386341 /nfs/dbraw/zinc/38/63/41/640386341.db2.gz CLXVNYMQSHJQII-SNVBAGLBSA-N 1 2 244.335 -0.206 20 0 BBADLO COCC(C)(C)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913547010 640386332 /nfs/dbraw/zinc/38/63/32/640386332.db2.gz CLXVNYMQSHJQII-SNVBAGLBSA-N 1 2 244.335 -0.206 20 0 BBADLO CC[C@@H](C)OCC(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913547421 640388636 /nfs/dbraw/zinc/38/86/36/640388636.db2.gz OJJIQUCWTBDWJE-GHMZBOCLSA-N 1 2 244.335 -0.064 20 0 BBADLO CC[C@@H](C)OCC(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913547421 640388630 /nfs/dbraw/zinc/38/86/30/640388630.db2.gz OJJIQUCWTBDWJE-GHMZBOCLSA-N 1 2 244.335 -0.064 20 0 BBADLO CC[C@@H](C)OCC(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913547422 640389232 /nfs/dbraw/zinc/38/92/32/640389232.db2.gz OJJIQUCWTBDWJE-MNOVXSKESA-N 1 2 244.335 -0.064 20 0 BBADLO CC[C@@H](C)OCC(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913547422 640389225 /nfs/dbraw/zinc/38/92/25/640389225.db2.gz OJJIQUCWTBDWJE-MNOVXSKESA-N 1 2 244.335 -0.064 20 0 BBADLO CC[C@H](C)OCC(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913547423 640387070 /nfs/dbraw/zinc/38/70/70/640387070.db2.gz OJJIQUCWTBDWJE-QWRGUYRKSA-N 1 2 244.335 -0.064 20 0 BBADLO CC[C@H](C)OCC(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913547423 640387065 /nfs/dbraw/zinc/38/70/65/640387065.db2.gz OJJIQUCWTBDWJE-QWRGUYRKSA-N 1 2 244.335 -0.064 20 0 BBADLO CC[C@H](C)OCC(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913547424 640387963 /nfs/dbraw/zinc/38/79/63/640387963.db2.gz OJJIQUCWTBDWJE-WDEREUQCSA-N 1 2 244.335 -0.064 20 0 BBADLO CC[C@H](C)OCC(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913547424 640387957 /nfs/dbraw/zinc/38/79/57/640387957.db2.gz OJJIQUCWTBDWJE-WDEREUQCSA-N 1 2 244.335 -0.064 20 0 BBADLO CCC[C@@](C)(O)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913547766 640390626 /nfs/dbraw/zinc/39/06/26/640390626.db2.gz VYVFHKLSRAFTRP-CMPLNLGQSA-N 1 2 244.335 -0.328 20 0 BBADLO CCC[C@@](C)(O)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913547766 640390620 /nfs/dbraw/zinc/39/06/20/640390620.db2.gz VYVFHKLSRAFTRP-CMPLNLGQSA-N 1 2 244.335 -0.328 20 0 BBADLO CCC[C@](C)(O)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913547767 640390197 /nfs/dbraw/zinc/39/01/97/640390197.db2.gz VYVFHKLSRAFTRP-JQWIXIFHSA-N 1 2 244.335 -0.328 20 0 BBADLO CCC[C@](C)(O)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913547767 640390192 /nfs/dbraw/zinc/39/01/92/640390192.db2.gz VYVFHKLSRAFTRP-JQWIXIFHSA-N 1 2 244.335 -0.328 20 0 BBADLO CCC[C@](C)(O)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913547768 640390479 /nfs/dbraw/zinc/39/04/79/640390479.db2.gz VYVFHKLSRAFTRP-PWSUYJOCSA-N 1 2 244.335 -0.328 20 0 BBADLO CCC[C@](C)(O)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913547768 640390475 /nfs/dbraw/zinc/39/04/75/640390475.db2.gz VYVFHKLSRAFTRP-PWSUYJOCSA-N 1 2 244.335 -0.328 20 0 BBADLO CCC[C@@](C)(O)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913547769 640389907 /nfs/dbraw/zinc/38/99/07/640389907.db2.gz VYVFHKLSRAFTRP-ZYHUDNBSSA-N 1 2 244.335 -0.328 20 0 BBADLO CCC[C@@](C)(O)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913547769 640389901 /nfs/dbraw/zinc/38/99/01/640389901.db2.gz VYVFHKLSRAFTRP-ZYHUDNBSSA-N 1 2 244.335 -0.328 20 0 BBADLO Cn1ccc(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)c1 ZINC000913547866 640389774 /nfs/dbraw/zinc/38/97/74/640389774.db2.gz YBEFYXNTFWWVCN-LLVKDONJSA-N 1 2 237.303 -0.226 20 0 BBADLO Cn1ccc(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)c1 ZINC000913547866 640389770 /nfs/dbraw/zinc/38/97/70/640389770.db2.gz YBEFYXNTFWWVCN-LLVKDONJSA-N 1 2 237.303 -0.226 20 0 BBADLO Cn1ccc(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)c1 ZINC000913547867 640390503 /nfs/dbraw/zinc/39/05/03/640390503.db2.gz YBEFYXNTFWWVCN-NSHDSACASA-N 1 2 237.303 -0.226 20 0 BBADLO Cn1ccc(C(=O)N2CC[N@H+](C)[C@H](CO)C2)c1 ZINC000913547867 640390497 /nfs/dbraw/zinc/39/04/97/640390497.db2.gz YBEFYXNTFWWVCN-NSHDSACASA-N 1 2 237.303 -0.226 20 0 BBADLO C[N@H+]1CCN(C(=O)Cc2ccon2)C[C@H]1CO ZINC000913548210 640397870 /nfs/dbraw/zinc/39/78/70/640397870.db2.gz HHASHUKOHCMFMY-JTQLQIEISA-N 1 2 239.275 -0.648 20 0 BBADLO C[N@@H+]1CCN(C(=O)Cc2ccon2)C[C@H]1CO ZINC000913548210 640397864 /nfs/dbraw/zinc/39/78/64/640397864.db2.gz HHASHUKOHCMFMY-JTQLQIEISA-N 1 2 239.275 -0.648 20 0 BBADLO C[N@H+]1CCN(C(=O)Cc2ccon2)C[C@@H]1CO ZINC000913548211 640395798 /nfs/dbraw/zinc/39/57/98/640395798.db2.gz HHASHUKOHCMFMY-SNVBAGLBSA-N 1 2 239.275 -0.648 20 0 BBADLO C[N@@H+]1CCN(C(=O)Cc2ccon2)C[C@@H]1CO ZINC000913548211 640395792 /nfs/dbraw/zinc/39/57/92/640395792.db2.gz HHASHUKOHCMFMY-SNVBAGLBSA-N 1 2 239.275 -0.648 20 0 BBADLO COC[C@@H](C)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913548360 640397846 /nfs/dbraw/zinc/39/78/46/640397846.db2.gz KREMOHOLKZDTBP-NXEZZACHSA-N 1 2 230.308 -0.596 20 0 BBADLO COC[C@@H](C)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913548360 640397842 /nfs/dbraw/zinc/39/78/42/640397842.db2.gz KREMOHOLKZDTBP-NXEZZACHSA-N 1 2 230.308 -0.596 20 0 BBADLO COC[C@H](C)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913548361 640395816 /nfs/dbraw/zinc/39/58/16/640395816.db2.gz KREMOHOLKZDTBP-UWVGGRQHSA-N 1 2 230.308 -0.596 20 0 BBADLO COC[C@H](C)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913548361 640395813 /nfs/dbraw/zinc/39/58/13/640395813.db2.gz KREMOHOLKZDTBP-UWVGGRQHSA-N 1 2 230.308 -0.596 20 0 BBADLO COC[C@H](C)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913548362 640394837 /nfs/dbraw/zinc/39/48/37/640394837.db2.gz KREMOHOLKZDTBP-VHSXEESVSA-N 1 2 230.308 -0.596 20 0 BBADLO COC[C@H](C)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913548362 640394832 /nfs/dbraw/zinc/39/48/32/640394832.db2.gz KREMOHOLKZDTBP-VHSXEESVSA-N 1 2 230.308 -0.596 20 0 BBADLO COC[C@@H](C)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913548363 640397230 /nfs/dbraw/zinc/39/72/30/640397230.db2.gz KREMOHOLKZDTBP-ZJUUUORDSA-N 1 2 230.308 -0.596 20 0 BBADLO COC[C@@H](C)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913548363 640397224 /nfs/dbraw/zinc/39/72/24/640397224.db2.gz KREMOHOLKZDTBP-ZJUUUORDSA-N 1 2 230.308 -0.596 20 0 BBADLO C[N@H+]1CCN(C(=O)c2ncccn2)C[C@@H]1CO ZINC000913548640 640396646 /nfs/dbraw/zinc/39/66/46/640396646.db2.gz PXRUZXLKXZJDHV-SECBINFHSA-N 1 2 236.275 -0.775 20 0 BBADLO C[N@@H+]1CCN(C(=O)c2ncccn2)C[C@@H]1CO ZINC000913548640 640396644 /nfs/dbraw/zinc/39/66/44/640396644.db2.gz PXRUZXLKXZJDHV-SECBINFHSA-N 1 2 236.275 -0.775 20 0 BBADLO C[N@H+]1CCN(C(=O)c2ncccn2)C[C@H]1CO ZINC000913548641 640395187 /nfs/dbraw/zinc/39/51/87/640395187.db2.gz PXRUZXLKXZJDHV-VIFPVBQESA-N 1 2 236.275 -0.775 20 0 BBADLO C[N@@H+]1CCN(C(=O)c2ncccn2)C[C@H]1CO ZINC000913548641 640395177 /nfs/dbraw/zinc/39/51/77/640395177.db2.gz PXRUZXLKXZJDHV-VIFPVBQESA-N 1 2 236.275 -0.775 20 0 BBADLO CCCCOCC(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913548648 640396146 /nfs/dbraw/zinc/39/61/46/640396146.db2.gz QHVPXFVFDOQEJH-LLVKDONJSA-N 1 2 244.335 -0.062 20 0 BBADLO CCCCOCC(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913548648 640396135 /nfs/dbraw/zinc/39/61/35/640396135.db2.gz QHVPXFVFDOQEJH-LLVKDONJSA-N 1 2 244.335 -0.062 20 0 BBADLO CCCCOCC(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913548649 640397523 /nfs/dbraw/zinc/39/75/23/640397523.db2.gz QHVPXFVFDOQEJH-NSHDSACASA-N 1 2 244.335 -0.062 20 0 BBADLO CCCCOCC(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913548649 640397521 /nfs/dbraw/zinc/39/75/21/640397521.db2.gz QHVPXFVFDOQEJH-NSHDSACASA-N 1 2 244.335 -0.062 20 0 BBADLO C[N@H+]1CCN(C(=O)c2cc[nH]c2)C[C@H]1CO ZINC000913548654 640397149 /nfs/dbraw/zinc/39/71/49/640397149.db2.gz QLSDDRQAVCPTQR-JTQLQIEISA-N 1 2 223.276 -0.237 20 0 BBADLO C[N@@H+]1CCN(C(=O)c2cc[nH]c2)C[C@H]1CO ZINC000913548654 640397141 /nfs/dbraw/zinc/39/71/41/640397141.db2.gz QLSDDRQAVCPTQR-JTQLQIEISA-N 1 2 223.276 -0.237 20 0 BBADLO C[N@H+]1CCN(C(=O)c2cc[nH]c2)C[C@@H]1CO ZINC000913548655 640394873 /nfs/dbraw/zinc/39/48/73/640394873.db2.gz QLSDDRQAVCPTQR-SNVBAGLBSA-N 1 2 223.276 -0.237 20 0 BBADLO C[N@@H+]1CCN(C(=O)c2cc[nH]c2)C[C@@H]1CO ZINC000913548655 640394868 /nfs/dbraw/zinc/39/48/68/640394868.db2.gz QLSDDRQAVCPTQR-SNVBAGLBSA-N 1 2 223.276 -0.237 20 0 BBADLO C[N@H+]1CCN(C(=O)c2cocn2)C[C@@H]1CO ZINC000913548742 640395901 /nfs/dbraw/zinc/39/59/01/640395901.db2.gz SDYBLPGPSKKDFV-MRVPVSSYSA-N 1 2 225.248 -0.577 20 0 BBADLO C[N@@H+]1CCN(C(=O)c2cocn2)C[C@@H]1CO ZINC000913548742 640395895 /nfs/dbraw/zinc/39/58/95/640395895.db2.gz SDYBLPGPSKKDFV-MRVPVSSYSA-N 1 2 225.248 -0.577 20 0 BBADLO C[N@H+]1CCN(C(=O)c2cocn2)C[C@H]1CO ZINC000913548743 640397654 /nfs/dbraw/zinc/39/76/54/640397654.db2.gz SDYBLPGPSKKDFV-QMMMGPOBSA-N 1 2 225.248 -0.577 20 0 BBADLO C[N@@H+]1CCN(C(=O)c2cocn2)C[C@H]1CO ZINC000913548743 640397646 /nfs/dbraw/zinc/39/76/46/640397646.db2.gz SDYBLPGPSKKDFV-QMMMGPOBSA-N 1 2 225.248 -0.577 20 0 BBADLO Cc1nc(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)c[nH]1 ZINC000913549044 640396285 /nfs/dbraw/zinc/39/62/85/640396285.db2.gz WLOFGMIAKSHEJU-SECBINFHSA-N 1 2 238.291 -0.533 20 0 BBADLO Cc1nc(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)c[nH]1 ZINC000913549044 640396278 /nfs/dbraw/zinc/39/62/78/640396278.db2.gz WLOFGMIAKSHEJU-SECBINFHSA-N 1 2 238.291 -0.533 20 0 BBADLO Cc1nc(C(=O)N2CC[N@H+](C)[C@H](CO)C2)c[nH]1 ZINC000913549045 640397315 /nfs/dbraw/zinc/39/73/15/640397315.db2.gz WLOFGMIAKSHEJU-VIFPVBQESA-N 1 2 238.291 -0.533 20 0 BBADLO Cc1nc(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)c[nH]1 ZINC000913549045 640397305 /nfs/dbraw/zinc/39/73/05/640397305.db2.gz WLOFGMIAKSHEJU-VIFPVBQESA-N 1 2 238.291 -0.533 20 0 BBADLO C[N@H+]1CCN(C(=O)C2=CCCCO2)C[C@H]1CO ZINC000913549980 640396569 /nfs/dbraw/zinc/39/65/69/640396569.db2.gz KIDNKMDXGAHQAE-JTQLQIEISA-N 1 2 240.303 -0.184 20 0 BBADLO C[N@@H+]1CCN(C(=O)C2=CCCCO2)C[C@H]1CO ZINC000913549980 640396564 /nfs/dbraw/zinc/39/65/64/640396564.db2.gz KIDNKMDXGAHQAE-JTQLQIEISA-N 1 2 240.303 -0.184 20 0 BBADLO C[N@H+]1CCN(C(=O)C2=CCCCO2)C[C@@H]1CO ZINC000913549981 640395643 /nfs/dbraw/zinc/39/56/43/640395643.db2.gz KIDNKMDXGAHQAE-SNVBAGLBSA-N 1 2 240.303 -0.184 20 0 BBADLO C[N@@H+]1CCN(C(=O)C2=CCCCO2)C[C@@H]1CO ZINC000913549981 640395636 /nfs/dbraw/zinc/39/56/36/640395636.db2.gz KIDNKMDXGAHQAE-SNVBAGLBSA-N 1 2 240.303 -0.184 20 0 BBADLO CCC1(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)COC1 ZINC000913550326 640394654 /nfs/dbraw/zinc/39/46/54/640394654.db2.gz RRLJPOMRWMZLFF-JTQLQIEISA-N 1 2 242.319 -0.452 20 0 BBADLO CCC1(C(=O)N2CC[N@H+](C)[C@H](CO)C2)COC1 ZINC000913550326 640394650 /nfs/dbraw/zinc/39/46/50/640394650.db2.gz RRLJPOMRWMZLFF-JTQLQIEISA-N 1 2 242.319 -0.452 20 0 BBADLO CCC1(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)COC1 ZINC000913550327 640397065 /nfs/dbraw/zinc/39/70/65/640397065.db2.gz RRLJPOMRWMZLFF-SNVBAGLBSA-N 1 2 242.319 -0.452 20 0 BBADLO CCC1(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)COC1 ZINC000913550327 640397057 /nfs/dbraw/zinc/39/70/57/640397057.db2.gz RRLJPOMRWMZLFF-SNVBAGLBSA-N 1 2 242.319 -0.452 20 0 BBADLO C[N@H+]1CCN(C(=O)C2(O)CCCC2)C[C@H]1CO ZINC000913550644 640395945 /nfs/dbraw/zinc/39/59/45/640395945.db2.gz XTEPDAVIVVDABZ-JTQLQIEISA-N 1 2 242.319 -0.574 20 0 BBADLO C[N@@H+]1CCN(C(=O)C2(O)CCCC2)C[C@H]1CO ZINC000913550644 640395937 /nfs/dbraw/zinc/39/59/37/640395937.db2.gz XTEPDAVIVVDABZ-JTQLQIEISA-N 1 2 242.319 -0.574 20 0 BBADLO C[N@H+]1CCN(C(=O)C2(O)CCCC2)C[C@@H]1CO ZINC000913550645 640397612 /nfs/dbraw/zinc/39/76/12/640397612.db2.gz XTEPDAVIVVDABZ-SNVBAGLBSA-N 1 2 242.319 -0.574 20 0 BBADLO C[N@@H+]1CCN(C(=O)C2(O)CCCC2)C[C@@H]1CO ZINC000913550645 640397610 /nfs/dbraw/zinc/39/76/10/640397610.db2.gz XTEPDAVIVVDABZ-SNVBAGLBSA-N 1 2 242.319 -0.574 20 0 BBADLO CC[C@@H](OC)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913550894 640395532 /nfs/dbraw/zinc/39/55/32/640395532.db2.gz DKNXIRAAZRUXOV-NXEZZACHSA-N 1 2 230.308 -0.454 20 0 BBADLO CC[C@@H](OC)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913550894 640395529 /nfs/dbraw/zinc/39/55/29/640395529.db2.gz DKNXIRAAZRUXOV-NXEZZACHSA-N 1 2 230.308 -0.454 20 0 BBADLO CC[C@H](OC)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913550895 640396459 /nfs/dbraw/zinc/39/64/59/640396459.db2.gz DKNXIRAAZRUXOV-UWVGGRQHSA-N 1 2 230.308 -0.454 20 0 BBADLO CC[C@H](OC)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913550895 640396457 /nfs/dbraw/zinc/39/64/57/640396457.db2.gz DKNXIRAAZRUXOV-UWVGGRQHSA-N 1 2 230.308 -0.454 20 0 BBADLO CC[C@@H](OC)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913550896 640397282 /nfs/dbraw/zinc/39/72/82/640397282.db2.gz DKNXIRAAZRUXOV-VHSXEESVSA-N 1 2 230.308 -0.454 20 0 BBADLO CC[C@@H](OC)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913550896 640397275 /nfs/dbraw/zinc/39/72/75/640397275.db2.gz DKNXIRAAZRUXOV-VHSXEESVSA-N 1 2 230.308 -0.454 20 0 BBADLO CC[C@H](OC)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913550897 640396213 /nfs/dbraw/zinc/39/62/13/640396213.db2.gz DKNXIRAAZRUXOV-ZJUUUORDSA-N 1 2 230.308 -0.454 20 0 BBADLO CC[C@H](OC)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913550897 640396206 /nfs/dbraw/zinc/39/62/06/640396206.db2.gz DKNXIRAAZRUXOV-ZJUUUORDSA-N 1 2 230.308 -0.454 20 0 BBADLO CCO[C@H](CC)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913551388 640397565 /nfs/dbraw/zinc/39/75/65/640397565.db2.gz PMHPLKYMHUYEAR-GHMZBOCLSA-N 1 2 244.335 -0.064 20 0 BBADLO CCO[C@H](CC)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913551388 640397558 /nfs/dbraw/zinc/39/75/58/640397558.db2.gz PMHPLKYMHUYEAR-GHMZBOCLSA-N 1 2 244.335 -0.064 20 0 BBADLO CCO[C@@H](CC)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913551389 640396188 /nfs/dbraw/zinc/39/61/88/640396188.db2.gz PMHPLKYMHUYEAR-MNOVXSKESA-N 1 2 244.335 -0.064 20 0 BBADLO CCO[C@@H](CC)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913551389 640396177 /nfs/dbraw/zinc/39/61/77/640396177.db2.gz PMHPLKYMHUYEAR-MNOVXSKESA-N 1 2 244.335 -0.064 20 0 BBADLO CCO[C@@H](CC)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913551390 640396331 /nfs/dbraw/zinc/39/63/31/640396331.db2.gz PMHPLKYMHUYEAR-QWRGUYRKSA-N 1 2 244.335 -0.064 20 0 BBADLO CCO[C@@H](CC)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913551390 640396326 /nfs/dbraw/zinc/39/63/26/640396326.db2.gz PMHPLKYMHUYEAR-QWRGUYRKSA-N 1 2 244.335 -0.064 20 0 BBADLO CCO[C@H](CC)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913551391 640397354 /nfs/dbraw/zinc/39/73/54/640397354.db2.gz PMHPLKYMHUYEAR-WDEREUQCSA-N 1 2 244.335 -0.064 20 0 BBADLO CCO[C@H](CC)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913551391 640397346 /nfs/dbraw/zinc/39/73/46/640397346.db2.gz PMHPLKYMHUYEAR-WDEREUQCSA-N 1 2 244.335 -0.064 20 0 BBADLO Cc1ocnc1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913551736 640396947 /nfs/dbraw/zinc/39/69/47/640396947.db2.gz XPPLUSVPHAIJFO-SECBINFHSA-N 1 2 239.275 -0.268 20 0 BBADLO Cc1ocnc1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913551736 640396940 /nfs/dbraw/zinc/39/69/40/640396940.db2.gz XPPLUSVPHAIJFO-SECBINFHSA-N 1 2 239.275 -0.268 20 0 BBADLO Cc1ocnc1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913551737 640394633 /nfs/dbraw/zinc/39/46/33/640394633.db2.gz XPPLUSVPHAIJFO-VIFPVBQESA-N 1 2 239.275 -0.268 20 0 BBADLO Cc1ocnc1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913551737 640394626 /nfs/dbraw/zinc/39/46/26/640394626.db2.gz XPPLUSVPHAIJFO-VIFPVBQESA-N 1 2 239.275 -0.268 20 0 BBADLO CS[C@H](C)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913552052 640395577 /nfs/dbraw/zinc/39/55/77/640395577.db2.gz DQQDIMTURPWBLL-BDAKNGLRSA-N 1 2 232.349 -0.127 20 0 BBADLO CS[C@H](C)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913552052 640395569 /nfs/dbraw/zinc/39/55/69/640395569.db2.gz DQQDIMTURPWBLL-BDAKNGLRSA-N 1 2 232.349 -0.127 20 0 BBADLO CS[C@@H](C)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913552053 640396612 /nfs/dbraw/zinc/39/66/12/640396612.db2.gz DQQDIMTURPWBLL-DTWKUNHWSA-N 1 2 232.349 -0.127 20 0 BBADLO CS[C@@H](C)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913552053 640396605 /nfs/dbraw/zinc/39/66/05/640396605.db2.gz DQQDIMTURPWBLL-DTWKUNHWSA-N 1 2 232.349 -0.127 20 0 BBADLO CS[C@@H](C)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913552054 640397027 /nfs/dbraw/zinc/39/70/27/640397027.db2.gz DQQDIMTURPWBLL-IUCAKERBSA-N 1 2 232.349 -0.127 20 0 BBADLO CS[C@@H](C)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913552054 640397024 /nfs/dbraw/zinc/39/70/24/640397024.db2.gz DQQDIMTURPWBLL-IUCAKERBSA-N 1 2 232.349 -0.127 20 0 BBADLO CS[C@H](C)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913552055 640394703 /nfs/dbraw/zinc/39/47/03/640394703.db2.gz DQQDIMTURPWBLL-RKDXNWHRSA-N 1 2 232.349 -0.127 20 0 BBADLO CS[C@H](C)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913552055 640394698 /nfs/dbraw/zinc/39/46/98/640394698.db2.gz DQQDIMTURPWBLL-RKDXNWHRSA-N 1 2 232.349 -0.127 20 0 BBADLO CCO[C@H](C)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913552304 640396036 /nfs/dbraw/zinc/39/60/36/640396036.db2.gz KWIWDCFIBWRHFB-NXEZZACHSA-N 1 2 230.308 -0.454 20 0 BBADLO CCO[C@H](C)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913552304 640396029 /nfs/dbraw/zinc/39/60/29/640396029.db2.gz KWIWDCFIBWRHFB-NXEZZACHSA-N 1 2 230.308 -0.454 20 0 BBADLO CCO[C@@H](C)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913552305 640397461 /nfs/dbraw/zinc/39/74/61/640397461.db2.gz KWIWDCFIBWRHFB-UWVGGRQHSA-N 1 2 230.308 -0.454 20 0 BBADLO CCO[C@@H](C)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913552305 640397457 /nfs/dbraw/zinc/39/74/57/640397457.db2.gz KWIWDCFIBWRHFB-UWVGGRQHSA-N 1 2 230.308 -0.454 20 0 BBADLO CCO[C@@H](C)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913552306 640396687 /nfs/dbraw/zinc/39/66/87/640396687.db2.gz KWIWDCFIBWRHFB-VHSXEESVSA-N 1 2 230.308 -0.454 20 0 BBADLO CCO[C@@H](C)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913552306 640396682 /nfs/dbraw/zinc/39/66/82/640396682.db2.gz KWIWDCFIBWRHFB-VHSXEESVSA-N 1 2 230.308 -0.454 20 0 BBADLO CCO[C@H](C)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913552307 640395276 /nfs/dbraw/zinc/39/52/76/640395276.db2.gz KWIWDCFIBWRHFB-ZJUUUORDSA-N 1 2 230.308 -0.454 20 0 BBADLO CCO[C@H](C)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913552307 640395271 /nfs/dbraw/zinc/39/52/71/640395271.db2.gz KWIWDCFIBWRHFB-ZJUUUORDSA-N 1 2 230.308 -0.454 20 0 BBADLO C[N@H+]1CCN(C(=O)COCC2CC2)C[C@@H]1CO ZINC000913552506 640395040 /nfs/dbraw/zinc/39/50/40/640395040.db2.gz PFNZCLVKWOSOBN-LLVKDONJSA-N 1 2 242.319 -0.452 20 0 BBADLO C[N@@H+]1CCN(C(=O)COCC2CC2)C[C@@H]1CO ZINC000913552506 640395032 /nfs/dbraw/zinc/39/50/32/640395032.db2.gz PFNZCLVKWOSOBN-LLVKDONJSA-N 1 2 242.319 -0.452 20 0 BBADLO C[N@H+]1CCN(C(=O)COCC2CC2)C[C@H]1CO ZINC000913552507 640396836 /nfs/dbraw/zinc/39/68/36/640396836.db2.gz PFNZCLVKWOSOBN-NSHDSACASA-N 1 2 242.319 -0.452 20 0 BBADLO C[N@@H+]1CCN(C(=O)COCC2CC2)C[C@H]1CO ZINC000913552507 640396828 /nfs/dbraw/zinc/39/68/28/640396828.db2.gz PFNZCLVKWOSOBN-NSHDSACASA-N 1 2 242.319 -0.452 20 0 BBADLO C[N@H+]1CCN(C(=O)C23CC(C2)C3)C[C@@H]1CO ZINC000913555869 641049347 /nfs/dbraw/zinc/04/93/47/641049347.db2.gz MRWNQBPMGMBLCH-SQLBVSGCSA-N 1 2 224.304 -0.079 20 0 BBADLO C[N@@H+]1CCN(C(=O)C23CC(C2)C3)C[C@@H]1CO ZINC000913555869 641049343 /nfs/dbraw/zinc/04/93/43/641049343.db2.gz MRWNQBPMGMBLCH-SQLBVSGCSA-N 1 2 224.304 -0.079 20 0 BBADLO C[N@H+]1CCN(C(=O)C23CC(C2)C3)C[C@H]1CO ZINC000913555870 641049197 /nfs/dbraw/zinc/04/91/97/641049197.db2.gz MRWNQBPMGMBLCH-YZRBJQDESA-N 1 2 224.304 -0.079 20 0 BBADLO C[N@@H+]1CCN(C(=O)C23CC(C2)C3)C[C@H]1CO ZINC000913555870 641049192 /nfs/dbraw/zinc/04/91/92/641049192.db2.gz MRWNQBPMGMBLCH-YZRBJQDESA-N 1 2 224.304 -0.079 20 0 BBADLO C[N@H+]1CCO[C@@H](C(=O)N2CCn3ccnc32)C1 ZINC000913672600 641456319 /nfs/dbraw/zinc/45/63/19/641456319.db2.gz WJZGBZHUCWIISK-SECBINFHSA-N 1 2 236.275 -0.440 20 0 BBADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCn3ccnc32)C1 ZINC000913672600 641456317 /nfs/dbraw/zinc/45/63/17/641456317.db2.gz WJZGBZHUCWIISK-SECBINFHSA-N 1 2 236.275 -0.440 20 0 BBADLO C[N@H+]1CCO[C@H](C(=O)N2CCn3ccnc32)C1 ZINC000913672601 641455804 /nfs/dbraw/zinc/45/58/04/641455804.db2.gz WJZGBZHUCWIISK-VIFPVBQESA-N 1 2 236.275 -0.440 20 0 BBADLO C[N@@H+]1CCO[C@H](C(=O)N2CCn3ccnc32)C1 ZINC000913672601 641455799 /nfs/dbraw/zinc/45/57/99/641455799.db2.gz WJZGBZHUCWIISK-VIFPVBQESA-N 1 2 236.275 -0.440 20 0 BBADLO C/C(=C/C(=O)NC1COC1)C[NH+]1CCOCC1 ZINC000913674308 641457701 /nfs/dbraw/zinc/45/77/01/641457701.db2.gz LUIUERGOUHVDPK-POHAHGRESA-N 1 2 240.303 -0.220 20 0 BBADLO C/C(=C\C(=O)NC1COC1)C[NH+]1CCOCC1 ZINC000913674309 641458450 /nfs/dbraw/zinc/45/84/50/641458450.db2.gz LUIUERGOUHVDPK-UXBLZVDNSA-N 1 2 240.303 -0.220 20 0 BBADLO C[C@@H](O)[C@@H](O)CNC(=O)CNc1cccc[nH+]1 ZINC000913723331 641461684 /nfs/dbraw/zinc/46/16/84/641461684.db2.gz PHLQHFTVHFUMON-BDAKNGLRSA-N 1 2 239.275 -0.649 20 0 BBADLO C[C@H](O)[C@H](O)CNC(=O)CNc1cccc[nH+]1 ZINC000913723332 641461811 /nfs/dbraw/zinc/46/18/11/641461811.db2.gz PHLQHFTVHFUMON-DTWKUNHWSA-N 1 2 239.275 -0.649 20 0 BBADLO C[C@H](O)[C@@H](O)CNC(=O)CNc1cccc[nH+]1 ZINC000913723333 641461630 /nfs/dbraw/zinc/46/16/30/641461630.db2.gz PHLQHFTVHFUMON-IUCAKERBSA-N 1 2 239.275 -0.649 20 0 BBADLO C[C@@H](O)[C@H](O)CNC(=O)CNc1cccc[nH+]1 ZINC000913723334 641461528 /nfs/dbraw/zinc/46/15/28/641461528.db2.gz PHLQHFTVHFUMON-RKDXNWHRSA-N 1 2 239.275 -0.649 20 0 BBADLO NC(=O)C1CC(NC(=O)CNc2cccc[nH+]2)C1 ZINC000913765185 641470720 /nfs/dbraw/zinc/47/07/20/641470720.db2.gz UFJDKJBHFSWRMR-UHFFFAOYSA-N 1 2 248.286 -0.126 20 0 BBADLO O=C(NCCCn1cc[nH+]c1)O[C@H]1CNOC1 ZINC000913836351 641496095 /nfs/dbraw/zinc/49/60/95/641496095.db2.gz PXHFIEIICAVFGM-VIFPVBQESA-N 1 2 240.263 -0.097 20 0 BBADLO O=C(O[C@H]1CCOC1)N1CC[NH+](CCO)CC1 ZINC000913862595 641506169 /nfs/dbraw/zinc/50/61/69/641506169.db2.gz UUWQFCRETKAWHT-JTQLQIEISA-N 1 2 244.291 -0.478 20 0 BBADLO O=C(O[C@@H]1CCOC1)N1CC[NH+](CCO)CC1 ZINC000913862596 641506538 /nfs/dbraw/zinc/50/65/38/641506538.db2.gz UUWQFCRETKAWHT-SNVBAGLBSA-N 1 2 244.291 -0.478 20 0 BBADLO O=C(NCCn1cc[nH+]c1)O[C@H]1CNOC1 ZINC000913899958 641515596 /nfs/dbraw/zinc/51/55/96/641515596.db2.gz LBKJTNLWFCPCNG-QMMMGPOBSA-N 1 2 226.236 -0.487 20 0 BBADLO O=C(NCCn1cc[nH+]c1)NC[C@@H]1COCO1 ZINC000913900233 641515106 /nfs/dbraw/zinc/51/51/06/641515106.db2.gz QNIDFBDZRQQAFI-SECBINFHSA-N 1 2 240.263 -0.445 20 0 BBADLO O=C(NCCn1cc[nH+]c1)NC[C@H]1COCO1 ZINC000913900234 641515362 /nfs/dbraw/zinc/51/53/62/641515362.db2.gz QNIDFBDZRQQAFI-VIFPVBQESA-N 1 2 240.263 -0.445 20 0 BBADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1COC(=O)C1 ZINC000913900463 641515129 /nfs/dbraw/zinc/51/51/29/641515129.db2.gz WGHMYVOROCXPMU-QMMMGPOBSA-N 1 2 238.247 -0.502 20 0 BBADLO C[N@H+]1CCO[C@H](CNC(=O)O[C@@H]2CCOC2)C1 ZINC000914016680 641544339 /nfs/dbraw/zinc/54/43/39/641544339.db2.gz DFLLYESNYQWLIO-NXEZZACHSA-N 1 2 244.291 -0.168 20 0 BBADLO C[N@@H+]1CCO[C@H](CNC(=O)O[C@@H]2CCOC2)C1 ZINC000914016680 641544331 /nfs/dbraw/zinc/54/43/31/641544331.db2.gz DFLLYESNYQWLIO-NXEZZACHSA-N 1 2 244.291 -0.168 20 0 BBADLO C[N@H+]1CCO[C@@H](CNC(=O)O[C@H]2CCOC2)C1 ZINC000914016681 641543853 /nfs/dbraw/zinc/54/38/53/641543853.db2.gz DFLLYESNYQWLIO-UWVGGRQHSA-N 1 2 244.291 -0.168 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNC(=O)O[C@H]2CCOC2)C1 ZINC000914016681 641543849 /nfs/dbraw/zinc/54/38/49/641543849.db2.gz DFLLYESNYQWLIO-UWVGGRQHSA-N 1 2 244.291 -0.168 20 0 BBADLO C[N@H+]1CCO[C@H](CNC(=O)O[C@H]2CCOC2)C1 ZINC000914016682 641544277 /nfs/dbraw/zinc/54/42/77/641544277.db2.gz DFLLYESNYQWLIO-VHSXEESVSA-N 1 2 244.291 -0.168 20 0 BBADLO C[N@@H+]1CCO[C@H](CNC(=O)O[C@H]2CCOC2)C1 ZINC000914016682 641544276 /nfs/dbraw/zinc/54/42/76/641544276.db2.gz DFLLYESNYQWLIO-VHSXEESVSA-N 1 2 244.291 -0.168 20 0 BBADLO C[N@H+]1CCO[C@@H](CNC(=O)O[C@@H]2CCOC2)C1 ZINC000914016683 641544595 /nfs/dbraw/zinc/54/45/95/641544595.db2.gz DFLLYESNYQWLIO-ZJUUUORDSA-N 1 2 244.291 -0.168 20 0 BBADLO C[N@@H+]1CCO[C@@H](CNC(=O)O[C@@H]2CCOC2)C1 ZINC000914016683 641544591 /nfs/dbraw/zinc/54/45/91/641544591.db2.gz DFLLYESNYQWLIO-ZJUUUORDSA-N 1 2 244.291 -0.168 20 0 BBADLO Cc1nnn(NC(=O)Cn2cc[nH+]c2)c1C ZINC000914018299 641545813 /nfs/dbraw/zinc/54/58/13/641545813.db2.gz FKHHTPZMFISKES-UHFFFAOYSA-N 1 2 220.236 -0.138 20 0 BBADLO Cc1nnn(NC(=O)[C@H]2C[N@@H+](C)CCO2)c1C ZINC000914018966 641546148 /nfs/dbraw/zinc/54/61/48/641546148.db2.gz BKGAQWJTOKAXHF-SECBINFHSA-N 1 2 239.279 -0.704 20 0 BBADLO Cc1nnn(NC(=O)[C@H]2C[N@H+](C)CCO2)c1C ZINC000914018966 641546144 /nfs/dbraw/zinc/54/61/44/641546144.db2.gz BKGAQWJTOKAXHF-SECBINFHSA-N 1 2 239.279 -0.704 20 0 BBADLO Cc1nnn(NC(=O)[C@@H]2C[N@@H+](C)CCO2)c1C ZINC000914018967 641545343 /nfs/dbraw/zinc/54/53/43/641545343.db2.gz BKGAQWJTOKAXHF-VIFPVBQESA-N 1 2 239.279 -0.704 20 0 BBADLO Cc1nnn(NC(=O)[C@@H]2C[N@H+](C)CCO2)c1C ZINC000914018967 641545340 /nfs/dbraw/zinc/54/53/40/641545340.db2.gz BKGAQWJTOKAXHF-VIFPVBQESA-N 1 2 239.279 -0.704 20 0 BBADLO Cc1nnn(NC(=O)Cc2c[nH+]cn2C)c1C ZINC000914021394 641547163 /nfs/dbraw/zinc/54/71/63/641547163.db2.gz NLBGTCPVPVDZQP-UHFFFAOYSA-N 1 2 234.263 -0.059 20 0 BBADLO Cc1nnn(NC(=O)Cc2[nH]cc[nH+]2)c1C ZINC000914025277 641554087 /nfs/dbraw/zinc/55/40/87/641554087.db2.gz ZXADWHHFLNDCEK-UHFFFAOYSA-N 1 2 220.236 -0.069 20 0 BBADLO Cc1nnn(NC(=O)Cc2c[nH]c[nH+]2)c1C ZINC000914027629 641553968 /nfs/dbraw/zinc/55/39/68/641553968.db2.gz RERJPEMQCMVYAE-UHFFFAOYSA-N 1 2 220.236 -0.069 20 0 BBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)O[C@H]1CNOC1 ZINC000914196410 641612970 /nfs/dbraw/zinc/61/29/70/641612970.db2.gz SEOULPOYGFOSTB-BDAKNGLRSA-N 1 2 240.263 -0.099 20 0 BBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)O[C@H]1CNOC1 ZINC000914196411 641613287 /nfs/dbraw/zinc/61/32/87/641613287.db2.gz SEOULPOYGFOSTB-IUCAKERBSA-N 1 2 240.263 -0.099 20 0 BBADLO C/C=C\C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000914541780 641733197 /nfs/dbraw/zinc/73/31/97/641733197.db2.gz CMTGJXIBRLMLSY-MXQLGCADSA-N 1 2 228.292 -0.628 20 0 BBADLO C/C=C/C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000914541781 641733774 /nfs/dbraw/zinc/73/37/74/641733774.db2.gz CMTGJXIBRLMLSY-PBKGFPTLSA-N 1 2 228.292 -0.628 20 0 BBADLO C/C=C/C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000914541782 641733951 /nfs/dbraw/zinc/73/39/51/641733951.db2.gz CMTGJXIBRLMLSY-VMZHVLLKSA-N 1 2 228.292 -0.628 20 0 BBADLO C/C=C\C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000914541783 641733511 /nfs/dbraw/zinc/73/35/11/641733511.db2.gz CMTGJXIBRLMLSY-ZMWSMAPVSA-N 1 2 228.292 -0.628 20 0 BBADLO CCCC[NH+](CC(=O)NC)CC(=O)NC ZINC000914868655 641777303 /nfs/dbraw/zinc/77/73/03/641777303.db2.gz OLPQMSNYPOOVDC-UHFFFAOYSA-N 1 2 215.297 -0.420 20 0 BBADLO CNC(=O)C[NH+](CCC(C)C)CC(=O)NC ZINC000914868917 641777145 /nfs/dbraw/zinc/77/71/45/641777145.db2.gz SDOPHIWKRXFCOT-UHFFFAOYSA-N 1 2 229.324 -0.174 20 0 BBADLO CC(C)C(=O)N1CC[NH+](C[C@H](O)CO)CC1 ZINC000915357745 641821471 /nfs/dbraw/zinc/82/14/71/641821471.db2.gz GPNSALQMEFZQLT-JTQLQIEISA-N 1 2 230.308 -0.860 20 0 BBADLO C/C=C\C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000915624762 641846122 /nfs/dbraw/zinc/84/61/22/641846122.db2.gz PZSBEYUWWSULQW-ARJAWSKDSA-N 1 2 239.319 -0.157 20 0 BBADLO C/C=C/C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000915624763 641846711 /nfs/dbraw/zinc/84/67/11/641846711.db2.gz PZSBEYUWWSULQW-ONEGZZNKSA-N 1 2 239.319 -0.157 20 0 BBADLO CONC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000915681953 641851225 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C[N@@H+]1CCN(C(=O)O[C@@H]2CCOC2)[C@H](CO)C1 ZINC000917760046 642116633 /nfs/dbraw/zinc/11/66/33/642116633.db2.gz NCLVWLNIQWYNAC-VHSXEESVSA-N 1 2 244.291 -0.480 20 0 BBADLO C[N@H+]1CCN(C(=O)O[C@H]2CCOC2)[C@@H](CO)C1 ZINC000917760047 642117209 /nfs/dbraw/zinc/11/72/09/642117209.db2.gz NCLVWLNIQWYNAC-ZJUUUORDSA-N 1 2 244.291 -0.480 20 0 BBADLO C[N@@H+]1CCN(C(=O)O[C@H]2CCOC2)[C@@H](CO)C1 ZINC000917760047 642117207 /nfs/dbraw/zinc/11/72/07/642117207.db2.gz NCLVWLNIQWYNAC-ZJUUUORDSA-N 1 2 244.291 -0.480 20 0 BBADLO Cc1[nH][nH]c(=O)c1SC[C@H]1C[N@@H+](C)CCO1 ZINC000917909629 642139554 /nfs/dbraw/zinc/13/95/54/642139554.db2.gz QASWOXLPKZFVIL-BDAKNGLRSA-N 1 2 243.332 -0.076 20 0 BBADLO Cc1[nH][nH]c(=O)c1SC[C@H]1C[N@H+](C)CCO1 ZINC000917909629 642139550 /nfs/dbraw/zinc/13/95/50/642139550.db2.gz QASWOXLPKZFVIL-BDAKNGLRSA-N 1 2 243.332 -0.076 20 0 BBADLO Cc1[nH][nH]c(=O)c1SC[C@@H]1C[N@@H+](C)CCO1 ZINC000917909630 642139388 /nfs/dbraw/zinc/13/93/88/642139388.db2.gz QASWOXLPKZFVIL-DTWKUNHWSA-N 1 2 243.332 -0.076 20 0 BBADLO Cc1[nH][nH]c(=O)c1SC[C@@H]1C[N@H+](C)CCO1 ZINC000917909630 642139383 /nfs/dbraw/zinc/13/93/83/642139383.db2.gz QASWOXLPKZFVIL-DTWKUNHWSA-N 1 2 243.332 -0.076 20 0 BBADLO Cc1[nH][nH]c(=O)c1SC[C@@H]1C[N@@H+](C)CCO1 ZINC000917909631 642138406 /nfs/dbraw/zinc/13/84/06/642138406.db2.gz QASWOXLPKZFVIL-IUCAKERBSA-N 1 2 243.332 -0.076 20 0 BBADLO Cc1[nH][nH]c(=O)c1SC[C@@H]1C[N@H+](C)CCO1 ZINC000917909631 642138400 /nfs/dbraw/zinc/13/84/00/642138400.db2.gz QASWOXLPKZFVIL-IUCAKERBSA-N 1 2 243.332 -0.076 20 0 BBADLO Cc1[nH][nH]c(=O)c1SC[C@H]1C[N@@H+](C)CCO1 ZINC000917909632 642139185 /nfs/dbraw/zinc/13/91/85/642139185.db2.gz QASWOXLPKZFVIL-RKDXNWHRSA-N 1 2 243.332 -0.076 20 0 BBADLO Cc1[nH][nH]c(=O)c1SC[C@H]1C[N@H+](C)CCO1 ZINC000917909632 642139180 /nfs/dbraw/zinc/13/91/80/642139180.db2.gz QASWOXLPKZFVIL-RKDXNWHRSA-N 1 2 243.332 -0.076 20 0 BBADLO NC(=O)C[N@H+]1CCCN(c2cnccn2)CC1 ZINC000919721632 642379629 /nfs/dbraw/zinc/37/96/29/642379629.db2.gz 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/nfs/dbraw/zinc/61/47/01/642614701.db2.gz YBZOKAPGYPXREU-JTQLQIEISA-N 1 2 247.364 -0.133 20 0 BBADLO CN(CC1CC1)S(=O)(=O)NC[C@@H]1CC[N@@H+]1C ZINC000921414837 642614695 /nfs/dbraw/zinc/61/46/95/642614695.db2.gz YBZOKAPGYPXREU-JTQLQIEISA-N 1 2 247.364 -0.133 20 0 BBADLO CN(CC1CC1)S(=O)(=O)NC[C@H]1CC[N@H+]1C ZINC000921414838 642617418 /nfs/dbraw/zinc/61/74/18/642617418.db2.gz YBZOKAPGYPXREU-SNVBAGLBSA-N 1 2 247.364 -0.133 20 0 BBADLO CN(CC1CC1)S(=O)(=O)NC[C@H]1CC[N@@H+]1C ZINC000921414838 642617417 /nfs/dbraw/zinc/61/74/17/642617417.db2.gz YBZOKAPGYPXREU-SNVBAGLBSA-N 1 2 247.364 -0.133 20 0 BBADLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)Cc1ccon1 ZINC000921414898 642616396 /nfs/dbraw/zinc/61/63/96/642616396.db2.gz ZKGLVLXHOWIZBX-SECBINFHSA-N 1 2 245.304 -0.202 20 0 BBADLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)Cc1ccon1 ZINC000921414898 642616391 /nfs/dbraw/zinc/61/63/91/642616391.db2.gz ZKGLVLXHOWIZBX-SECBINFHSA-N 1 2 245.304 -0.202 20 0 BBADLO C[N@H+]1CC[C@H]1CNS(=O)(=O)Cc1ccon1 ZINC000921414899 642617368 /nfs/dbraw/zinc/61/73/68/642617368.db2.gz ZKGLVLXHOWIZBX-VIFPVBQESA-N 1 2 245.304 -0.202 20 0 BBADLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)Cc1ccon1 ZINC000921414899 642617364 /nfs/dbraw/zinc/61/73/64/642617364.db2.gz ZKGLVLXHOWIZBX-VIFPVBQESA-N 1 2 245.304 -0.202 20 0 BBADLO Cn1cnc(S(=O)(=O)NC[C@H]2CC[N@H+]2C)c1 ZINC000921414905 642615479 /nfs/dbraw/zinc/61/54/79/642615479.db2.gz ZOJQNDHVPLBIOX-MRVPVSSYSA-N 1 2 244.320 -0.598 20 0 BBADLO Cn1cnc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C)c1 ZINC000921414905 642615474 /nfs/dbraw/zinc/61/54/74/642615474.db2.gz ZOJQNDHVPLBIOX-MRVPVSSYSA-N 1 2 244.320 -0.598 20 0 BBADLO Cn1cnc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C)c1 ZINC000921414906 642616340 /nfs/dbraw/zinc/61/63/40/642616340.db2.gz ZOJQNDHVPLBIOX-QMMMGPOBSA-N 1 2 244.320 -0.598 20 0 BBADLO Cn1cnc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C)c1 ZINC000921414906 642616329 /nfs/dbraw/zinc/61/63/29/642616329.db2.gz ZOJQNDHVPLBIOX-QMMMGPOBSA-N 1 2 244.320 -0.598 20 0 BBADLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)N1CCCC1 ZINC000921415891 642615339 /nfs/dbraw/zinc/61/53/39/642615339.db2.gz WIFVOGXMJGLFAW-SECBINFHSA-N 1 2 233.337 -0.379 20 0 BBADLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)N1CCCC1 ZINC000921415891 642615337 /nfs/dbraw/zinc/61/53/37/642615337.db2.gz WIFVOGXMJGLFAW-SECBINFHSA-N 1 2 233.337 -0.379 20 0 BBADLO C[N@H+]1CC[C@H]1CNS(=O)(=O)N1CCCC1 ZINC000921415892 642616210 /nfs/dbraw/zinc/61/62/10/642616210.db2.gz WIFVOGXMJGLFAW-VIFPVBQESA-N 1 2 233.337 -0.379 20 0 BBADLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)N1CCCC1 ZINC000921415892 642616200 /nfs/dbraw/zinc/61/62/00/642616200.db2.gz WIFVOGXMJGLFAW-VIFPVBQESA-N 1 2 233.337 -0.379 20 0 BBADLO O=S(=O)(CCn1cc[nH+]c1)NC1CSC1 ZINC000921870022 643812689 /nfs/dbraw/zinc/81/26/89/643812689.db2.gz JLEMRAPCUXWJFO-UHFFFAOYSA-N 1 2 247.345 -0.082 20 0 BBADLO O=C(Cn1cc[nH+]c1)N1C[C@H]2C[C@@]2(O)C1 ZINC000921895553 643820145 /nfs/dbraw/zinc/82/01/45/643820145.db2.gz IWLQUISJVWTZNB-PSASIEDQSA-N 1 2 207.233 -0.524 20 0 BBADLO O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@]2(O)C1 ZINC000921895556 643820641 /nfs/dbraw/zinc/82/06/41/643820641.db2.gz IWLQUISJVWTZNB-WPRPVWTQSA-N 1 2 207.233 -0.524 20 0 BBADLO C[C@@H]1CC[C@H](CO)N1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000921999079 643841372 /nfs/dbraw/zinc/84/13/72/643841372.db2.gz JPMNVYHEWFQHPW-GMTAPVOTSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1CC[C@H](CO)N1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000921999079 643841370 /nfs/dbraw/zinc/84/13/70/643841370.db2.gz JPMNVYHEWFQHPW-GMTAPVOTSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1CC[C@H](CO)N1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000921999335 643841457 /nfs/dbraw/zinc/84/14/57/643841457.db2.gz JPMNVYHEWFQHPW-MXWKQRLJSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H]1CC[C@H](CO)N1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000921999335 643841452 /nfs/dbraw/zinc/84/14/52/643841452.db2.gz JPMNVYHEWFQHPW-MXWKQRLJSA-N 1 2 242.319 -0.311 20 0 BBADLO CC[N@H+]1CC[C@@H]1CNC(=O)CCc1nn[nH]n1 ZINC000922155883 643874357 /nfs/dbraw/zinc/87/43/57/643874357.db2.gz HROPMGBVTQVUTI-MRVPVSSYSA-N 1 2 238.295 -0.657 20 0 BBADLO CC[N@@H+]1CC[C@@H]1CNC(=O)CCc1nn[nH]n1 ZINC000922155883 643874352 /nfs/dbraw/zinc/87/43/52/643874352.db2.gz HROPMGBVTQVUTI-MRVPVSSYSA-N 1 2 238.295 -0.657 20 0 BBADLO CC[N@H+]1CC[C@H]1CNC(=O)CCc1nn[nH]n1 ZINC000922155884 643874742 /nfs/dbraw/zinc/87/47/42/643874742.db2.gz HROPMGBVTQVUTI-QMMMGPOBSA-N 1 2 238.295 -0.657 20 0 BBADLO CC[N@@H+]1CC[C@H]1CNC(=O)CCc1nn[nH]n1 ZINC000922155884 643874740 /nfs/dbraw/zinc/87/47/40/643874740.db2.gz HROPMGBVTQVUTI-QMMMGPOBSA-N 1 2 238.295 -0.657 20 0 BBADLO CC[N@H+]1CC[C@@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC000922156103 643875006 /nfs/dbraw/zinc/87/50/06/643875006.db2.gz JVFJBYOPDBPFHE-SECBINFHSA-N 1 2 246.332 -0.759 20 0 BBADLO CC[N@@H+]1CC[C@@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC000922156103 643875003 /nfs/dbraw/zinc/87/50/03/643875003.db2.gz JVFJBYOPDBPFHE-SECBINFHSA-N 1 2 246.332 -0.759 20 0 BBADLO CC[N@H+]1CC[C@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC000922156104 643874930 /nfs/dbraw/zinc/87/49/30/643874930.db2.gz JVFJBYOPDBPFHE-VIFPVBQESA-N 1 2 246.332 -0.759 20 0 BBADLO CC[N@@H+]1CC[C@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC000922156104 643874928 /nfs/dbraw/zinc/87/49/28/643874928.db2.gz JVFJBYOPDBPFHE-VIFPVBQESA-N 1 2 246.332 -0.759 20 0 BBADLO CC[N@H+]1CC[C@@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC000922160264 643881434 /nfs/dbraw/zinc/88/14/34/643881434.db2.gz USBMCWYOIOIPRV-MRVPVSSYSA-N 1 2 238.291 -0.050 20 0 BBADLO CC[N@@H+]1CC[C@@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC000922160264 643881430 /nfs/dbraw/zinc/88/14/30/643881430.db2.gz USBMCWYOIOIPRV-MRVPVSSYSA-N 1 2 238.291 -0.050 20 0 BBADLO CC[N@H+]1CC[C@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC000922160266 643879937 /nfs/dbraw/zinc/87/99/37/643879937.db2.gz USBMCWYOIOIPRV-QMMMGPOBSA-N 1 2 238.291 -0.050 20 0 BBADLO CC[N@@H+]1CC[C@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC000922160266 643879933 /nfs/dbraw/zinc/87/99/33/643879933.db2.gz USBMCWYOIOIPRV-QMMMGPOBSA-N 1 2 238.291 -0.050 20 0 BBADLO CC(=O)NCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922179065 643893594 /nfs/dbraw/zinc/89/35/94/643893594.db2.gz SJVOMHHIYPMMRE-UHFFFAOYSA-N 1 2 223.232 -0.157 20 0 BBADLO CC(=O)NCC(=O)OCc1ccc[nH+]c1N ZINC000922179096 643893264 /nfs/dbraw/zinc/89/32/64/643893264.db2.gz UHGZNJREPLGCTA-UHFFFAOYSA-N 1 2 223.232 -0.157 20 0 BBADLO Cc1cnc(C[NH2+][C@H](CO)[C@@H](C)O)o1 ZINC000922181625 643895030 /nfs/dbraw/zinc/89/50/30/643895030.db2.gz WBKITNRMDNCCQF-HTQZYQBOSA-N 1 2 200.238 -0.186 20 0 BBADLO O=C(Cn1cc[nH+]c1)N1CC=C[C@@H]1CO ZINC000922271613 643939774 /nfs/dbraw/zinc/93/97/74/643939774.db2.gz YORKIWSHFUSMSQ-SECBINFHSA-N 1 2 207.233 -0.358 20 0 BBADLO O=C(Cn1cc[nH+]c1)N1CC=C[C@H]1CO ZINC000922271614 643940035 /nfs/dbraw/zinc/94/00/35/643940035.db2.gz YORKIWSHFUSMSQ-VIFPVBQESA-N 1 2 207.233 -0.358 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)O[C@H]1CNOC1 ZINC000922514363 644011550 /nfs/dbraw/zinc/01/15/50/644011550.db2.gz DUDBDAHZTXXWFH-QMMMGPOBSA-N 1 2 226.236 -0.450 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)NC[C@@H]1COCO1 ZINC000922514636 644010994 /nfs/dbraw/zinc/01/09/94/644010994.db2.gz LEYUJSZCXMZBII-SECBINFHSA-N 1 2 240.263 -0.408 20 0 BBADLO Cn1c[nH+]cc1CNC(=O)NC[C@H]1COCO1 ZINC000922514637 644011689 /nfs/dbraw/zinc/01/16/89/644011689.db2.gz LEYUJSZCXMZBII-VIFPVBQESA-N 1 2 240.263 -0.408 20 0 BBADLO COC[C@@H](O)C(=O)OCc1ccc[nH+]c1N ZINC000922572185 644027839 /nfs/dbraw/zinc/02/78/39/644027839.db2.gz DWSADCKXUHDAQQ-MRVPVSSYSA-N 1 2 226.232 -0.286 20 0 BBADLO COC[C@H](O)C(=O)OCc1ccc[nH+]c1N ZINC000922572186 644027581 /nfs/dbraw/zinc/02/75/81/644027581.db2.gz DWSADCKXUHDAQQ-QMMMGPOBSA-N 1 2 226.232 -0.286 20 0 BBADLO COC[C@@H](O)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922573650 644026751 /nfs/dbraw/zinc/02/67/51/644026751.db2.gz VVRBGLFKTWNSPZ-MRVPVSSYSA-N 1 2 226.232 -0.286 20 0 BBADLO COC[C@H](O)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922573651 644027704 /nfs/dbraw/zinc/02/77/04/644027704.db2.gz VVRBGLFKTWNSPZ-QMMMGPOBSA-N 1 2 226.232 -0.286 20 0 BBADLO CNC(=O)CC(=O)OCc1ccc[nH+]c1N ZINC000922619489 644044205 /nfs/dbraw/zinc/04/42/05/644044205.db2.gz GXPROIZQWRIPQB-UHFFFAOYSA-N 1 2 223.232 -0.157 20 0 BBADLO CNC(=O)CC(=O)OCc1ccc(N)[nH+]c1 ZINC000922620300 711974522 /nfs/dbraw/zinc/97/45/22/711974522.db2.gz QAJLBGSNCGVVMS-UHFFFAOYSA-N 1 2 223.232 -0.157 20 0 BBADLO Nc1[nH+]cccc1COC(=O)[C@@]1(O)CCOC1 ZINC000922801841 644098070 /nfs/dbraw/zinc/09/80/70/644098070.db2.gz JJMUOEWYQRTNIM-LLVKDONJSA-N 1 2 238.243 -0.142 20 0 BBADLO Nc1[nH+]cccc1COC(=O)[C@]1(O)CCOC1 ZINC000922801842 644098346 /nfs/dbraw/zinc/09/83/46/644098346.db2.gz JJMUOEWYQRTNIM-NSHDSACASA-N 1 2 238.243 -0.142 20 0 BBADLO Nc1ccc(COC(=O)[C@@]2(O)CCOC2)c[nH+]1 ZINC000922802916 644097605 /nfs/dbraw/zinc/09/76/05/644097605.db2.gz UWJALFDTGDRJGF-LLVKDONJSA-N 1 2 238.243 -0.142 20 0 BBADLO Nc1ccc(COC(=O)[C@]2(O)CCOC2)c[nH+]1 ZINC000922802917 644098056 /nfs/dbraw/zinc/09/80/56/644098056.db2.gz UWJALFDTGDRJGF-NSHDSACASA-N 1 2 238.243 -0.142 20 0 BBADLO Cn1c[nH+]c(CCNC(=O)O[C@H]2CNOC2)c1 ZINC000922820869 644110982 /nfs/dbraw/zinc/11/09/82/644110982.db2.gz GVPYGUIOHUEFPE-VIFPVBQESA-N 1 2 240.263 -0.408 20 0 BBADLO CO[N-]C(=O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000922827760 644103928 /nfs/dbraw/zinc/10/39/28/644103928.db2.gz NBPOXENMFSYPIF-UHFFFAOYSA-N 1 2 241.295 -0.747 20 0 BBADLO O=C(Cc1c[nH]c[nH+]1)N[C@]12C[C@H]1COC2 ZINC000923353827 644369108 /nfs/dbraw/zinc/36/91/08/644369108.db2.gz BWEMKILOCATGIZ-XVKPBYJWSA-N 1 2 207.233 -0.143 20 0 BBADLO O=C(Cn1cc[nH+]c1)N[C@]12C[C@H]1COC2 ZINC000923356008 644371078 /nfs/dbraw/zinc/37/10/78/644371078.db2.gz DHZDZFUFBKAVCZ-WPRPVWTQSA-N 1 2 207.233 -0.212 20 0 BBADLO O=C(Cc1[nH]cc[nH+]1)N[C@]12C[C@H]1COC2 ZINC000923358197 644366401 /nfs/dbraw/zinc/36/64/01/644366401.db2.gz XWQMYUGEZULEJD-XVKPBYJWSA-N 1 2 207.233 -0.143 20 0 BBADLO COCCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923459735 644435711 /nfs/dbraw/zinc/43/57/11/644435711.db2.gz DUUAURVWWAGKFR-UHFFFAOYSA-N 1 2 201.314 -0.482 20 0 BBADLO COCCC[N@H+]1CCNCC[NH2+]CC1 ZINC000923459735 644435709 /nfs/dbraw/zinc/43/57/09/644435709.db2.gz DUUAURVWWAGKFR-UHFFFAOYSA-N 1 2 201.314 -0.482 20 0 BBADLO C[C@@H]1CN(Cc2cc(=O)n3[nH]ccc3n2)C[C@H]1[NH3+] ZINC000923513168 644483427 /nfs/dbraw/zinc/48/34/27/644483427.db2.gz WLYZDOQOLDYXHQ-PSASIEDQSA-N 1 2 247.302 -0.198 20 0 BBADLO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cnn(C)n1 ZINC000924566300 632892096 /nfs/dbraw/zinc/89/20/96/632892096.db2.gz ZVNKLYORXAEURB-HTQZYQBOSA-N 1 2 225.296 -0.010 20 0 BBADLO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cnn(C)n1 ZINC000924566301 632891689 /nfs/dbraw/zinc/89/16/89/632891689.db2.gz ZVNKLYORXAEURB-JGVFFNPUSA-N 1 2 225.296 -0.010 20 0 BBADLO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cnn(C)n1 ZINC000924566302 632891322 /nfs/dbraw/zinc/89/13/22/632891322.db2.gz ZVNKLYORXAEURB-SFYZADRCSA-N 1 2 225.296 -0.010 20 0 BBADLO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cnn(C)n1 ZINC000924566303 632891739 /nfs/dbraw/zinc/89/17/39/632891739.db2.gz ZVNKLYORXAEURB-YUMQZZPRSA-N 1 2 225.296 -0.010 20 0 BBADLO CC(C)NC(=O)C[NH2+][C@H](C)c1cnn(C)n1 ZINC000924576137 646072558 /nfs/dbraw/zinc/07/25/58/646072558.db2.gz XTBMLKBIECMVIY-MRVPVSSYSA-N 1 2 225.296 -0.010 20 0 BBADLO CC(C)NC(=O)C[NH2+][C@@H](C)c1cnn(C)n1 ZINC000924576138 646072903 /nfs/dbraw/zinc/07/29/03/646072903.db2.gz XTBMLKBIECMVIY-QMMMGPOBSA-N 1 2 225.296 -0.010 20 0 BBADLO C[C@@H]([NH2+][C@@H]1CCCNC1=O)c1cnn(C)n1 ZINC000924874025 635684275 /nfs/dbraw/zinc/68/42/75/635684275.db2.gz VNXKEQKNVSBNLJ-HTQZYQBOSA-N 1 2 223.280 -0.256 20 0 BBADLO C[C@H]([NH2+][C@@H]1CCCNC1=O)c1cnn(C)n1 ZINC000924874026 635684978 /nfs/dbraw/zinc/68/49/78/635684978.db2.gz VNXKEQKNVSBNLJ-JGVFFNPUSA-N 1 2 223.280 -0.256 20 0 BBADLO C[C@@H]([NH2+][C@H]1CCCNC1=O)c1cnn(C)n1 ZINC000924874027 635686286 /nfs/dbraw/zinc/68/62/86/635686286.db2.gz VNXKEQKNVSBNLJ-SFYZADRCSA-N 1 2 223.280 -0.256 20 0 BBADLO C[C@H]([NH2+][C@H]1CCCNC1=O)c1cnn(C)n1 ZINC000924874028 635684460 /nfs/dbraw/zinc/68/44/60/635684460.db2.gz VNXKEQKNVSBNLJ-YUMQZZPRSA-N 1 2 223.280 -0.256 20 0 BBADLO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cnn(C)n1 ZINC000924898822 635754394 /nfs/dbraw/zinc/75/43/94/635754394.db2.gz ZKKYYUGCTCXWKN-HTQZYQBOSA-N 1 2 223.280 -0.304 20 0 BBADLO C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cnn(C)n1 ZINC000924898826 635754520 /nfs/dbraw/zinc/75/45/20/635754520.db2.gz ZKKYYUGCTCXWKN-JGVFFNPUSA-N 1 2 223.280 -0.304 20 0 BBADLO C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cnn(C)n1 ZINC000924898833 635755065 /nfs/dbraw/zinc/75/50/65/635755065.db2.gz ZKKYYUGCTCXWKN-SFYZADRCSA-N 1 2 223.280 -0.304 20 0 BBADLO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cnn(C)n1 ZINC000924898837 635754898 /nfs/dbraw/zinc/75/48/98/635754898.db2.gz ZKKYYUGCTCXWKN-YUMQZZPRSA-N 1 2 223.280 -0.304 20 0 BBADLO COC(=O)[C@@H]1C[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000924901152 646128378 /nfs/dbraw/zinc/12/83/78/646128378.db2.gz VQQHDVRYVBNAGK-VXNVDRBHSA-N 1 2 237.259 -0.123 20 0 BBADLO COC(=O)[C@@H]1C[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000924905085 646129978 /nfs/dbraw/zinc/12/99/78/646129978.db2.gz FMUMDGLGFBJVMO-HTQZYQBOSA-N 1 2 237.259 -0.123 20 0 BBADLO COC(=O)[C@@H]1C[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000924906568 635761459 /nfs/dbraw/zinc/76/14/59/635761459.db2.gz JPAFUTGZFVQAHK-RKDXNWHRSA-N 1 2 237.259 -0.192 20 0 BBADLO CCS(=O)(=O)CC[NH2+][C@H](C)c1cnn(C)n1 ZINC000924929503 635778055 /nfs/dbraw/zinc/77/80/55/635778055.db2.gz ZZEWIDLLEMPGDF-MRVPVSSYSA-N 1 2 246.336 -0.100 20 0 BBADLO CCS(=O)(=O)CC[NH2+][C@@H](C)c1cnn(C)n1 ZINC000924929504 635777983 /nfs/dbraw/zinc/77/79/83/635777983.db2.gz ZZEWIDLLEMPGDF-QMMMGPOBSA-N 1 2 246.336 -0.100 20 0 BBADLO COC(=O)[C@@H](F)CNC(=O)Cc1[nH]c[nH+]c1C ZINC000924939781 635795204 /nfs/dbraw/zinc/79/52/04/635795204.db2.gz ZEYCLGCAMFBODZ-ZETCQYMHSA-N 1 2 243.238 -0.112 20 0 BBADLO CC[C@H](C)[C@H](NC(=O)Cn1cc[nH+]c1)C(N)=O ZINC000925083016 646177417 /nfs/dbraw/zinc/17/74/17/646177417.db2.gz OZUHPHHAXMZPNJ-WPRPVWTQSA-N 1 2 238.291 -0.101 20 0 BBADLO C[C@@H]1C(=O)N(C[C@@H]2C[N@@H+](C)CCO2)C(=O)N1C ZINC000925291022 636736783 /nfs/dbraw/zinc/73/67/83/636736783.db2.gz APFILZJWVDUFKD-BDAKNGLRSA-N 1 2 241.291 -0.401 20 0 BBADLO C[C@@H]1C(=O)N(C[C@@H]2C[N@H+](C)CCO2)C(=O)N1C ZINC000925291022 636736777 /nfs/dbraw/zinc/73/67/77/636736777.db2.gz APFILZJWVDUFKD-BDAKNGLRSA-N 1 2 241.291 -0.401 20 0 BBADLO C[C@H]1C(=O)N(C[C@H]2C[N@@H+](C)CCO2)C(=O)N1C ZINC000925291023 636737560 /nfs/dbraw/zinc/73/75/60/636737560.db2.gz APFILZJWVDUFKD-DTWKUNHWSA-N 1 2 241.291 -0.401 20 0 BBADLO C[C@H]1C(=O)N(C[C@H]2C[N@H+](C)CCO2)C(=O)N1C ZINC000925291023 636737558 /nfs/dbraw/zinc/73/75/58/636737558.db2.gz APFILZJWVDUFKD-DTWKUNHWSA-N 1 2 241.291 -0.401 20 0 BBADLO C[C@H]1C(=O)N(C[C@@H]2C[N@@H+](C)CCO2)C(=O)N1C ZINC000925291025 636736877 /nfs/dbraw/zinc/73/68/77/636736877.db2.gz APFILZJWVDUFKD-IUCAKERBSA-N 1 2 241.291 -0.401 20 0 BBADLO C[C@H]1C(=O)N(C[C@@H]2C[N@H+](C)CCO2)C(=O)N1C ZINC000925291025 636736869 /nfs/dbraw/zinc/73/68/69/636736869.db2.gz APFILZJWVDUFKD-IUCAKERBSA-N 1 2 241.291 -0.401 20 0 BBADLO C[C@@H]1C(=O)N(C[C@H]2C[N@@H+](C)CCO2)C(=O)N1C ZINC000925291027 636737722 /nfs/dbraw/zinc/73/77/22/636737722.db2.gz APFILZJWVDUFKD-RKDXNWHRSA-N 1 2 241.291 -0.401 20 0 BBADLO C[C@@H]1C(=O)N(C[C@H]2C[N@H+](C)CCO2)C(=O)N1C ZINC000925291027 636737718 /nfs/dbraw/zinc/73/77/18/636737718.db2.gz APFILZJWVDUFKD-RKDXNWHRSA-N 1 2 241.291 -0.401 20 0 BBADLO C[N@H+]1CCO[C@@H](CN2C(=O)N[C@H](CF)C2=O)C1 ZINC000925296907 646234608 /nfs/dbraw/zinc/23/46/08/646234608.db2.gz DZHNKBJRAGXQEF-HTQZYQBOSA-N 1 2 245.254 -0.793 20 0 BBADLO C[N@@H+]1CCO[C@@H](CN2C(=O)N[C@H](CF)C2=O)C1 ZINC000925296907 646234602 /nfs/dbraw/zinc/23/46/02/646234602.db2.gz DZHNKBJRAGXQEF-HTQZYQBOSA-N 1 2 245.254 -0.793 20 0 BBADLO C[N@H+]1CCO[C@H](CN2C(=O)N[C@H](CF)C2=O)C1 ZINC000925296909 646235036 /nfs/dbraw/zinc/23/50/36/646235036.db2.gz DZHNKBJRAGXQEF-JGVFFNPUSA-N 1 2 245.254 -0.793 20 0 BBADLO C[N@@H+]1CCO[C@H](CN2C(=O)N[C@H](CF)C2=O)C1 ZINC000925296909 646235030 /nfs/dbraw/zinc/23/50/30/646235030.db2.gz DZHNKBJRAGXQEF-JGVFFNPUSA-N 1 2 245.254 -0.793 20 0 BBADLO C[N@H+]1CCO[C@@H](CN2C(=O)N[C@@H](CF)C2=O)C1 ZINC000925296910 646234905 /nfs/dbraw/zinc/23/49/05/646234905.db2.gz DZHNKBJRAGXQEF-SFYZADRCSA-N 1 2 245.254 -0.793 20 0 BBADLO C[N@@H+]1CCO[C@@H](CN2C(=O)N[C@@H](CF)C2=O)C1 ZINC000925296910 646234901 /nfs/dbraw/zinc/23/49/01/646234901.db2.gz DZHNKBJRAGXQEF-SFYZADRCSA-N 1 2 245.254 -0.793 20 0 BBADLO C[N@H+]1CCO[C@H](CN2C(=O)N[C@@H](CF)C2=O)C1 ZINC000925296912 646233815 /nfs/dbraw/zinc/23/38/15/646233815.db2.gz DZHNKBJRAGXQEF-YUMQZZPRSA-N 1 2 245.254 -0.793 20 0 BBADLO C[N@@H+]1CCO[C@H](CN2C(=O)N[C@@H](CF)C2=O)C1 ZINC000925296912 646233807 /nfs/dbraw/zinc/23/38/07/646233807.db2.gz DZHNKBJRAGXQEF-YUMQZZPRSA-N 1 2 245.254 -0.793 20 0 BBADLO C[C@@H](NC[C@@H]1C[N@@H+](C)CCO1)c1cnn(C)n1 ZINC000925360678 644059945 /nfs/dbraw/zinc/05/99/45/644059945.db2.gz XUBWJEJRHMDYDV-NXEZZACHSA-N 1 2 239.323 -0.204 20 0 BBADLO C[C@@H](NC[C@@H]1C[N@H+](C)CCO1)c1cnn(C)n1 ZINC000925360678 644059943 /nfs/dbraw/zinc/05/99/43/644059943.db2.gz XUBWJEJRHMDYDV-NXEZZACHSA-N 1 2 239.323 -0.204 20 0 BBADLO C[C@H](NC[C@H]1C[N@@H+](C)CCO1)c1cnn(C)n1 ZINC000925360679 644059351 /nfs/dbraw/zinc/05/93/51/644059351.db2.gz XUBWJEJRHMDYDV-UWVGGRQHSA-N 1 2 239.323 -0.204 20 0 BBADLO C[C@H](NC[C@H]1C[N@H+](C)CCO1)c1cnn(C)n1 ZINC000925360679 644059350 /nfs/dbraw/zinc/05/93/50/644059350.db2.gz XUBWJEJRHMDYDV-UWVGGRQHSA-N 1 2 239.323 -0.204 20 0 BBADLO C[C@H](NC[C@@H]1C[N@@H+](C)CCO1)c1cnn(C)n1 ZINC000925360683 644059460 /nfs/dbraw/zinc/05/94/60/644059460.db2.gz XUBWJEJRHMDYDV-VHSXEESVSA-N 1 2 239.323 -0.204 20 0 BBADLO C[C@H](NC[C@@H]1C[N@H+](C)CCO1)c1cnn(C)n1 ZINC000925360683 644059455 /nfs/dbraw/zinc/05/94/55/644059455.db2.gz XUBWJEJRHMDYDV-VHSXEESVSA-N 1 2 239.323 -0.204 20 0 BBADLO C[C@@H](NC[C@H]1C[N@@H+](C)CCO1)c1cnn(C)n1 ZINC000925360685 644060024 /nfs/dbraw/zinc/06/00/24/644060024.db2.gz XUBWJEJRHMDYDV-ZJUUUORDSA-N 1 2 239.323 -0.204 20 0 BBADLO C[C@@H](NC[C@H]1C[N@H+](C)CCO1)c1cnn(C)n1 ZINC000925360685 644060022 /nfs/dbraw/zinc/06/00/22/644060022.db2.gz XUBWJEJRHMDYDV-ZJUUUORDSA-N 1 2 239.323 -0.204 20 0 BBADLO O=C1CNC(=O)N1CC1([NH+]2CCOCC2)CC1 ZINC000925391393 646260199 /nfs/dbraw/zinc/26/01/99/646260199.db2.gz VXKGJWXJIQTOSR-UHFFFAOYSA-N 1 2 239.275 -0.597 20 0 BBADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCCO ZINC000925574041 646341700 /nfs/dbraw/zinc/34/17/00/646341700.db2.gz SMTOWBHZMXJXJN-JTQLQIEISA-N 1 2 245.323 -0.611 20 0 BBADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NCCO ZINC000925574043 646342242 /nfs/dbraw/zinc/34/22/42/646342242.db2.gz SMTOWBHZMXJXJN-SNVBAGLBSA-N 1 2 245.323 -0.611 20 0 BBADLO C[C@H](C[NH2+][C@H](C)c1cnn(C)n1)S(C)(=O)=O ZINC000925622254 634182613 /nfs/dbraw/zinc/18/26/13/634182613.db2.gz MRYALRRIOICMNQ-HTQZYQBOSA-N 1 2 246.336 -0.101 20 0 BBADLO C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1cnn(C)n1 ZINC000925622255 634182522 /nfs/dbraw/zinc/18/25/22/634182522.db2.gz MRYALRRIOICMNQ-JGVFFNPUSA-N 1 2 246.336 -0.101 20 0 BBADLO C[C@H](C[NH2+][C@@H](C)c1cnn(C)n1)S(C)(=O)=O ZINC000925622256 634182568 /nfs/dbraw/zinc/18/25/68/634182568.db2.gz MRYALRRIOICMNQ-SFYZADRCSA-N 1 2 246.336 -0.101 20 0 BBADLO C[C@@H](C[NH2+][C@@H](C)c1cnn(C)n1)S(C)(=O)=O ZINC000925622257 634182623 /nfs/dbraw/zinc/18/26/23/634182623.db2.gz MRYALRRIOICMNQ-YUMQZZPRSA-N 1 2 246.336 -0.101 20 0 BBADLO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1cnn(C)n1 ZINC000926109189 646576230 /nfs/dbraw/zinc/57/62/30/646576230.db2.gz GFKUGWDEINEBEP-MRVPVSSYSA-N 1 2 237.307 -0.008 20 0 BBADLO C[C@H]([NH2+]CC(=O)NCC1CC1)c1cnn(C)n1 ZINC000926109190 646576168 /nfs/dbraw/zinc/57/61/68/646576168.db2.gz GFKUGWDEINEBEP-QMMMGPOBSA-N 1 2 237.307 -0.008 20 0 BBADLO CCN(C)C(=O)C[NH2+][C@H](C)c1cnn(C)n1 ZINC000926210568 631455431 /nfs/dbraw/zinc/45/54/31/631455431.db2.gz RJKVRSGHSQEYBL-MRVPVSSYSA-N 1 2 225.296 -0.056 20 0 BBADLO CCN(C)C(=O)C[NH2+][C@@H](C)c1cnn(C)n1 ZINC000926210574 631454962 /nfs/dbraw/zinc/45/49/62/631454962.db2.gz RJKVRSGHSQEYBL-QMMMGPOBSA-N 1 2 225.296 -0.056 20 0 BBADLO CNS(=O)(=O)CC[NH2+][C@@H](C)c1nonc1C ZINC000926239286 646602753 /nfs/dbraw/zinc/60/27/53/646602753.db2.gz IQZIMZXWERTTSP-LURJTMIESA-N 1 2 248.308 -0.422 20 0 BBADLO CNS(=O)(=O)CC[NH2+][C@H](C)c1nonc1C ZINC000926239287 646603534 /nfs/dbraw/zinc/60/35/34/646603534.db2.gz IQZIMZXWERTTSP-ZCFIWIBFSA-N 1 2 248.308 -0.422 20 0 BBADLO CNS(=O)(=O)CC[NH2+][C@H](C)c1cnn(C)n1 ZINC000926243079 646599580 /nfs/dbraw/zinc/59/95/80/646599580.db2.gz ZHBDFJVAWVPKND-SSDOTTSWSA-N 1 2 247.324 -0.985 20 0 BBADLO CNS(=O)(=O)CC[NH2+][C@@H](C)c1cnn(C)n1 ZINC000926243084 646599721 /nfs/dbraw/zinc/59/97/21/646599721.db2.gz ZHBDFJVAWVPKND-ZETCQYMHSA-N 1 2 247.324 -0.985 20 0 BBADLO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1cnn(C)n1 ZINC000926273001 646610157 /nfs/dbraw/zinc/61/01/57/646610157.db2.gz PXXGWKMIEPPFSQ-SFYZADRCSA-N 1 2 225.296 -0.058 20 0 BBADLO C[C@H]([NH2+][C@@H](C)c1cnn(C)n1)C(=O)N(C)C ZINC000926273004 646610370 /nfs/dbraw/zinc/61/03/70/646610370.db2.gz PXXGWKMIEPPFSQ-YUMQZZPRSA-N 1 2 225.296 -0.058 20 0 BBADLO C[C@H]([NH2+]CC(=O)NCC(F)F)c1cnn(C)n1 ZINC000926347041 631727228 /nfs/dbraw/zinc/72/72/28/631727228.db2.gz KLLAZXDVKXEQEF-LURJTMIESA-N 1 2 247.249 -0.153 20 0 BBADLO C[C@@H]([NH2+]CC(=O)NCC(F)F)c1cnn(C)n1 ZINC000926347042 631726946 /nfs/dbraw/zinc/72/69/46/631726946.db2.gz KLLAZXDVKXEQEF-ZCFIWIBFSA-N 1 2 247.249 -0.153 20 0 BBADLO C[C@@H]([NH2+][C@H](C)c1cnn(C)n1)C(=O)NCCF ZINC000926365231 646626774 /nfs/dbraw/zinc/62/67/74/646626774.db2.gz UFIJZBWKOITUFX-HTQZYQBOSA-N 1 2 243.286 -0.060 20 0 BBADLO C[C@@H]([NH2+][C@@H](C)c1cnn(C)n1)C(=O)NCCF ZINC000926365232 646627157 /nfs/dbraw/zinc/62/71/57/646627157.db2.gz UFIJZBWKOITUFX-JGVFFNPUSA-N 1 2 243.286 -0.060 20 0 BBADLO C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1cnn(C)n1 ZINC000926365233 646626236 /nfs/dbraw/zinc/62/62/36/646626236.db2.gz UFIJZBWKOITUFX-SFYZADRCSA-N 1 2 243.286 -0.060 20 0 BBADLO C[C@H]([NH2+][C@@H](C)c1cnn(C)n1)C(=O)NCCF ZINC000926365234 646626561 /nfs/dbraw/zinc/62/65/61/646626561.db2.gz UFIJZBWKOITUFX-YUMQZZPRSA-N 1 2 243.286 -0.060 20 0 BBADLO CCc1nnc(C[NH2+][C@@H]2C(=O)NCC2(C)C)[nH]1 ZINC000926494117 646662896 /nfs/dbraw/zinc/66/28/96/646662896.db2.gz YZIMDTKTICTPPA-SECBINFHSA-N 1 2 237.307 -0.019 20 0 BBADLO CCc1nnc(C[NH2+][C@H]2C(=O)NCC2(C)C)[nH]1 ZINC000926494119 646662607 /nfs/dbraw/zinc/66/26/07/646662607.db2.gz YZIMDTKTICTPPA-VIFPVBQESA-N 1 2 237.307 -0.019 20 0 BBADLO Cc1nonc1[C@@H](C)[NH2+][C@@H]1COC[C@H]1O ZINC000926536044 645261219 /nfs/dbraw/zinc/26/12/19/645261219.db2.gz IPMQVQDGSWNAMB-LPBLVHEISA-N 1 2 213.237 -0.212 20 0 BBADLO Cc1nonc1[C@H](C)[NH2+][C@@H]1COC[C@H]1O ZINC000926536045 645259800 /nfs/dbraw/zinc/25/98/00/645259800.db2.gz IPMQVQDGSWNAMB-UIISKDMLSA-N 1 2 213.237 -0.212 20 0 BBADLO C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1cnn(C)n1 ZINC000926536361 645262843 /nfs/dbraw/zinc/26/28/43/645262843.db2.gz MCRXPYJQUKVBNS-FTLITQJKSA-N 1 2 212.253 -0.775 20 0 BBADLO C[C@H]([NH2+][C@@H]1COC[C@H]1O)c1cnn(C)n1 ZINC000926536365 645263023 /nfs/dbraw/zinc/26/30/23/645263023.db2.gz MCRXPYJQUKVBNS-NBEYISGCSA-N 1 2 212.253 -0.775 20 0 BBADLO CC[C@@H]([NH2+][C@H](C)c1cnn(C)n1)C(=O)NC ZINC000926548508 645271568 /nfs/dbraw/zinc/27/15/68/645271568.db2.gz BFXKBHZBDSMPPD-HTQZYQBOSA-N 1 2 225.296 -0.010 20 0 BBADLO CC[C@@H]([NH2+][C@@H](C)c1cnn(C)n1)C(=O)NC ZINC000926548510 645270300 /nfs/dbraw/zinc/27/03/00/645270300.db2.gz BFXKBHZBDSMPPD-JGVFFNPUSA-N 1 2 225.296 -0.010 20 0 BBADLO CC[C@H]([NH2+][C@H](C)c1cnn(C)n1)C(=O)NC ZINC000926548513 645270669 /nfs/dbraw/zinc/27/06/69/645270669.db2.gz BFXKBHZBDSMPPD-SFYZADRCSA-N 1 2 225.296 -0.010 20 0 BBADLO CC[C@H]([NH2+][C@@H](C)c1cnn(C)n1)C(=O)NC ZINC000926548515 645271883 /nfs/dbraw/zinc/27/18/83/645271883.db2.gz BFXKBHZBDSMPPD-YUMQZZPRSA-N 1 2 225.296 -0.010 20 0 BBADLO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1cnn(C)n1 ZINC000926574567 645293149 /nfs/dbraw/zinc/29/31/49/645293149.db2.gz CZUDEAZHBZNIGZ-FKTZTGRPSA-N 1 2 226.280 -0.121 20 0 BBADLO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1cnn(C)n1 ZINC000926574568 645292402 /nfs/dbraw/zinc/29/24/02/645292402.db2.gz CZUDEAZHBZNIGZ-UJNFCWOMSA-N 1 2 226.280 -0.121 20 0 BBADLO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cnn(C)n1 ZINC000926636223 645325691 /nfs/dbraw/zinc/32/56/91/645325691.db2.gz CZUDEAZHBZNIGZ-FXBDTBDDSA-N 1 2 226.280 -0.121 20 0 BBADLO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cnn(C)n1 ZINC000926636224 645326216 /nfs/dbraw/zinc/32/62/16/645326216.db2.gz CZUDEAZHBZNIGZ-SZEHBUNVSA-N 1 2 226.280 -0.121 20 0 BBADLO CCn1cc(C[NH2+][C@@H]2C(=O)NCC2(C)C)nn1 ZINC000926694391 645363217 /nfs/dbraw/zinc/36/32/17/645363217.db2.gz NZNUIJZSFGUJOK-SECBINFHSA-N 1 2 237.307 -0.088 20 0 BBADLO CCn1cc(C[NH2+][C@H]2C(=O)NCC2(C)C)nn1 ZINC000926694392 645363924 /nfs/dbraw/zinc/36/39/24/645363924.db2.gz NZNUIJZSFGUJOK-VIFPVBQESA-N 1 2 237.307 -0.088 20 0 BBADLO Cc1nonc1[C@H](C)[NH2+][C@@H]1COC[C@@H]1O ZINC000926778265 645426323 /nfs/dbraw/zinc/42/63/23/645426323.db2.gz IPMQVQDGSWNAMB-ARDNSNSESA-N 1 2 213.237 -0.212 20 0 BBADLO Cc1nonc1[C@@H](C)[NH2+][C@@H]1COC[C@@H]1O ZINC000926778267 645424029 /nfs/dbraw/zinc/42/40/29/645424029.db2.gz IPMQVQDGSWNAMB-NJUXHZRNSA-N 1 2 213.237 -0.212 20 0 BBADLO C[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1cnn(C)n1 ZINC000926778720 645424616 /nfs/dbraw/zinc/42/46/16/645424616.db2.gz MCRXPYJQUKVBNS-VDAHYXPESA-N 1 2 212.253 -0.775 20 0 BBADLO C[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1cnn(C)n1 ZINC000926778721 645425318 /nfs/dbraw/zinc/42/53/18/645425318.db2.gz MCRXPYJQUKVBNS-ZQARSLAVSA-N 1 2 212.253 -0.775 20 0 BBADLO NC(=O)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927074719 645536653 /nfs/dbraw/zinc/53/66/53/645536653.db2.gz ZGJCJDOKWCGWEV-UHFFFAOYSA-N 1 2 248.286 -0.030 20 0 BBADLO C[C@@H]1[C@H](NC(=O)CS(C)(=O)=O)CC[N@H+]1C ZINC000928445239 645766366 /nfs/dbraw/zinc/76/63/66/645766366.db2.gz PQLHIMJNYAQOTO-HTQZYQBOSA-N 1 2 234.321 -0.760 20 0 BBADLO C[C@@H]1[C@H](NC(=O)CS(C)(=O)=O)CC[N@@H+]1C ZINC000928445239 645766354 /nfs/dbraw/zinc/76/63/54/645766354.db2.gz PQLHIMJNYAQOTO-HTQZYQBOSA-N 1 2 234.321 -0.760 20 0 BBADLO C[C@H]1[C@H](NC(=O)CS(C)(=O)=O)CC[N@H+]1C ZINC000928445240 645767399 /nfs/dbraw/zinc/76/73/99/645767399.db2.gz PQLHIMJNYAQOTO-JGVFFNPUSA-N 1 2 234.321 -0.760 20 0 BBADLO C[C@H]1[C@H](NC(=O)CS(C)(=O)=O)CC[N@@H+]1C ZINC000928445240 645767396 /nfs/dbraw/zinc/76/73/96/645767396.db2.gz PQLHIMJNYAQOTO-JGVFFNPUSA-N 1 2 234.321 -0.760 20 0 BBADLO C[C@@H]1[C@@H](NC(=O)CS(C)(=O)=O)CC[N@H+]1C ZINC000928445241 645769720 /nfs/dbraw/zinc/76/97/20/645769720.db2.gz PQLHIMJNYAQOTO-SFYZADRCSA-N 1 2 234.321 -0.760 20 0 BBADLO C[C@@H]1[C@@H](NC(=O)CS(C)(=O)=O)CC[N@@H+]1C ZINC000928445241 645769698 /nfs/dbraw/zinc/76/96/98/645769698.db2.gz PQLHIMJNYAQOTO-SFYZADRCSA-N 1 2 234.321 -0.760 20 0 BBADLO C[C@H]1[C@@H](NC(=O)CS(C)(=O)=O)CC[N@H+]1C ZINC000928445242 645768700 /nfs/dbraw/zinc/76/87/00/645768700.db2.gz PQLHIMJNYAQOTO-YUMQZZPRSA-N 1 2 234.321 -0.760 20 0 BBADLO C[C@H]1[C@@H](NC(=O)CS(C)(=O)=O)CC[N@@H+]1C ZINC000928445242 645768697 /nfs/dbraw/zinc/76/86/97/645768697.db2.gz PQLHIMJNYAQOTO-YUMQZZPRSA-N 1 2 234.321 -0.760 20 0 BBADLO CCS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000928446515 645771300 /nfs/dbraw/zinc/77/13/00/645771300.db2.gz XBTWUAZHLRCYSI-BDAKNGLRSA-N 1 2 248.348 -0.370 20 0 BBADLO CCS(=O)(=O)CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928446515 645771299 /nfs/dbraw/zinc/77/12/99/645771299.db2.gz XBTWUAZHLRCYSI-BDAKNGLRSA-N 1 2 248.348 -0.370 20 0 BBADLO CCS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000928446516 645772220 /nfs/dbraw/zinc/77/22/20/645772220.db2.gz XBTWUAZHLRCYSI-DTWKUNHWSA-N 1 2 248.348 -0.370 20 0 BBADLO CCS(=O)(=O)CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928446516 645772213 /nfs/dbraw/zinc/77/22/13/645772213.db2.gz XBTWUAZHLRCYSI-DTWKUNHWSA-N 1 2 248.348 -0.370 20 0 BBADLO CCS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000928446517 645773749 /nfs/dbraw/zinc/77/37/49/645773749.db2.gz XBTWUAZHLRCYSI-IUCAKERBSA-N 1 2 248.348 -0.370 20 0 BBADLO CCS(=O)(=O)CC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928446517 645773742 /nfs/dbraw/zinc/77/37/42/645773742.db2.gz XBTWUAZHLRCYSI-IUCAKERBSA-N 1 2 248.348 -0.370 20 0 BBADLO CCS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000928446518 645770666 /nfs/dbraw/zinc/77/06/66/645770666.db2.gz XBTWUAZHLRCYSI-RKDXNWHRSA-N 1 2 248.348 -0.370 20 0 BBADLO CCS(=O)(=O)CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928446518 645770654 /nfs/dbraw/zinc/77/06/54/645770654.db2.gz XBTWUAZHLRCYSI-RKDXNWHRSA-N 1 2 248.348 -0.370 20 0 BBADLO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C)S(C)(=O)=O ZINC000928456132 645780425 /nfs/dbraw/zinc/78/04/25/645780425.db2.gz OBOTUZWNHHOOPH-HLTSFMKQSA-N 1 2 248.348 -0.372 20 0 BBADLO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)S(C)(=O)=O ZINC000928456132 645780418 /nfs/dbraw/zinc/78/04/18/645780418.db2.gz OBOTUZWNHHOOPH-HLTSFMKQSA-N 1 2 248.348 -0.372 20 0 BBADLO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)S(C)(=O)=O ZINC000928456133 645782292 /nfs/dbraw/zinc/78/22/92/645782292.db2.gz OBOTUZWNHHOOPH-HRDYMLBCSA-N 1 2 248.348 -0.372 20 0 BBADLO C[C@@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)S(C)(=O)=O ZINC000928456133 645782289 /nfs/dbraw/zinc/78/22/89/645782289.db2.gz OBOTUZWNHHOOPH-HRDYMLBCSA-N 1 2 248.348 -0.372 20 0 BBADLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)S(C)(=O)=O ZINC000928456134 645782708 /nfs/dbraw/zinc/78/27/08/645782708.db2.gz OBOTUZWNHHOOPH-IWSPIJDZSA-N 1 2 248.348 -0.372 20 0 BBADLO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)S(C)(=O)=O ZINC000928456134 645782704 /nfs/dbraw/zinc/78/27/04/645782704.db2.gz OBOTUZWNHHOOPH-IWSPIJDZSA-N 1 2 248.348 -0.372 20 0 BBADLO C[C@@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C)S(C)(=O)=O ZINC000928456135 645780373 /nfs/dbraw/zinc/78/03/73/645780373.db2.gz OBOTUZWNHHOOPH-VGMNWLOBSA-N 1 2 248.348 -0.372 20 0 BBADLO C[C@@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)S(C)(=O)=O ZINC000928456135 645780368 /nfs/dbraw/zinc/78/03/68/645780368.db2.gz OBOTUZWNHHOOPH-VGMNWLOBSA-N 1 2 248.348 -0.372 20 0 BBADLO Cc1nc(CC(=O)NC[C@H]2CC[N@@H+]2C)n[nH]1 ZINC000928551884 645804600 /nfs/dbraw/zinc/80/46/00/645804600.db2.gz GFPHZSGNDYQMPC-MRVPVSSYSA-N 1 2 223.280 -0.524 20 0 BBADLO Cc1nc(CC(=O)NC[C@H]2CC[N@H+]2C)n[nH]1 ZINC000928551884 645804599 /nfs/dbraw/zinc/80/45/99/645804599.db2.gz GFPHZSGNDYQMPC-MRVPVSSYSA-N 1 2 223.280 -0.524 20 0 BBADLO Cc1nc(CC(=O)NC[C@@H]2CC[N@@H+]2C)n[nH]1 ZINC000928551885 645806564 /nfs/dbraw/zinc/80/65/64/645806564.db2.gz GFPHZSGNDYQMPC-QMMMGPOBSA-N 1 2 223.280 -0.524 20 0 BBADLO Cc1nc(CC(=O)NC[C@@H]2CC[N@H+]2C)n[nH]1 ZINC000928551885 645806560 /nfs/dbraw/zinc/80/65/60/645806560.db2.gz GFPHZSGNDYQMPC-QMMMGPOBSA-N 1 2 223.280 -0.524 20 0 BBADLO C[N@H+]1CC[C@@H]1CNC(=O)CCCc1nn[nH]n1 ZINC000928553102 636088456 /nfs/dbraw/zinc/08/84/56/636088456.db2.gz XQZRCHYLRHGCQI-MRVPVSSYSA-N 1 2 238.295 -0.657 20 0 BBADLO C[N@@H+]1CC[C@@H]1CNC(=O)CCCc1nn[nH]n1 ZINC000928553102 636088454 /nfs/dbraw/zinc/08/84/54/636088454.db2.gz XQZRCHYLRHGCQI-MRVPVSSYSA-N 1 2 238.295 -0.657 20 0 BBADLO C[N@H+]1CC[C@H]1CNC(=O)CCCc1nn[nH]n1 ZINC000928553103 636089261 /nfs/dbraw/zinc/08/92/61/636089261.db2.gz XQZRCHYLRHGCQI-QMMMGPOBSA-N 1 2 238.295 -0.657 20 0 BBADLO C[N@@H+]1CC[C@H]1CNC(=O)CCCc1nn[nH]n1 ZINC000928553103 636089259 /nfs/dbraw/zinc/08/92/59/636089259.db2.gz XQZRCHYLRHGCQI-QMMMGPOBSA-N 1 2 238.295 -0.657 20 0 BBADLO C[N@H+]1CC[C@@H]1CNC(=O)CCc1cnn[nH]1 ZINC000928555312 645813572 /nfs/dbraw/zinc/81/35/72/645813572.db2.gz OGJMOONSGZTYKH-SECBINFHSA-N 1 2 223.280 -0.442 20 0 BBADLO C[N@@H+]1CC[C@@H]1CNC(=O)CCc1cnn[nH]1 ZINC000928555312 645813569 /nfs/dbraw/zinc/81/35/69/645813569.db2.gz OGJMOONSGZTYKH-SECBINFHSA-N 1 2 223.280 -0.442 20 0 BBADLO C[N@H+]1CC[C@H]1CNC(=O)CCc1cnn[nH]1 ZINC000928555313 645811825 /nfs/dbraw/zinc/81/18/25/645811825.db2.gz OGJMOONSGZTYKH-VIFPVBQESA-N 1 2 223.280 -0.442 20 0 BBADLO C[N@@H+]1CC[C@H]1CNC(=O)CCc1cnn[nH]1 ZINC000928555313 645811820 /nfs/dbraw/zinc/81/18/20/645811820.db2.gz OGJMOONSGZTYKH-VIFPVBQESA-N 1 2 223.280 -0.442 20 0 BBADLO CCN1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000928564667 711778699 /nfs/dbraw/zinc/77/86/99/711778699.db2.gz WMVNURFYTZIOLP-GHMZBOCLSA-N 1 2 241.335 -0.473 20 0 BBADLO CCN1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000928564667 711778698 /nfs/dbraw/zinc/77/86/98/711778698.db2.gz WMVNURFYTZIOLP-GHMZBOCLSA-N 1 2 241.335 -0.473 20 0 BBADLO CCN1CCO[C@H](C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000928564668 711778974 /nfs/dbraw/zinc/77/89/74/711778974.db2.gz WMVNURFYTZIOLP-MNOVXSKESA-N 1 2 241.335 -0.473 20 0 BBADLO CCN1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000928564668 711778972 /nfs/dbraw/zinc/77/89/72/711778972.db2.gz WMVNURFYTZIOLP-MNOVXSKESA-N 1 2 241.335 -0.473 20 0 BBADLO CCN1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000928564669 711778684 /nfs/dbraw/zinc/77/86/84/711778684.db2.gz WMVNURFYTZIOLP-QWRGUYRKSA-N 1 2 241.335 -0.473 20 0 BBADLO CCN1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000928564669 711778682 /nfs/dbraw/zinc/77/86/82/711778682.db2.gz WMVNURFYTZIOLP-QWRGUYRKSA-N 1 2 241.335 -0.473 20 0 BBADLO CCN1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000928564670 711778692 /nfs/dbraw/zinc/77/86/92/711778692.db2.gz WMVNURFYTZIOLP-WDEREUQCSA-N 1 2 241.335 -0.473 20 0 BBADLO CCN1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000928564670 711778691 /nfs/dbraw/zinc/77/86/91/711778691.db2.gz WMVNURFYTZIOLP-WDEREUQCSA-N 1 2 241.335 -0.473 20 0 BBADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)COC ZINC000928636756 712711415 /nfs/dbraw/zinc/71/14/15/712711415.db2.gz UXLGWOZDQNTAGT-JTQLQIEISA-N 1 2 230.308 -0.140 20 0 BBADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)COC ZINC000928636758 712711427 /nfs/dbraw/zinc/71/14/27/712711427.db2.gz UXLGWOZDQNTAGT-SNVBAGLBSA-N 1 2 230.308 -0.140 20 0 BBADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)O ZINC000928639561 645852293 /nfs/dbraw/zinc/85/22/93/645852293.db2.gz GUUJSORXHXDFKA-NXEZZACHSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)O ZINC000928639562 645851831 /nfs/dbraw/zinc/85/18/31/645851831.db2.gz GUUJSORXHXDFKA-UWVGGRQHSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)O ZINC000928639563 645853219 /nfs/dbraw/zinc/85/32/19/645853219.db2.gz GUUJSORXHXDFKA-VHSXEESVSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)O ZINC000928639564 645852907 /nfs/dbraw/zinc/85/29/07/645852907.db2.gz GUUJSORXHXDFKA-ZJUUUORDSA-N 1 2 230.308 -0.406 20 0 BBADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)CC(N)=O ZINC000928639639 645852544 /nfs/dbraw/zinc/85/25/44/645852544.db2.gz HYAHETZISKFVHZ-SECBINFHSA-N 1 2 243.307 -0.911 20 0 BBADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)CC(N)=O ZINC000928639640 645852076 /nfs/dbraw/zinc/85/20/76/645852076.db2.gz HYAHETZISKFVHZ-VIFPVBQESA-N 1 2 243.307 -0.911 20 0 BBADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)C(C)(C)O ZINC000928643739 645852964 /nfs/dbraw/zinc/85/29/64/645852964.db2.gz LYEMWCLZBQFMGG-JTQLQIEISA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)C(C)(C)O ZINC000928643740 645853842 /nfs/dbraw/zinc/85/38/42/645853842.db2.gz LYEMWCLZBQFMGG-SNVBAGLBSA-N 1 2 244.335 -0.016 20 0 BBADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)CO ZINC000928644043 645852479 /nfs/dbraw/zinc/85/24/79/645852479.db2.gz ODLHKZLWZBRQRF-SECBINFHSA-N 1 2 216.281 -0.794 20 0 BBADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)CO ZINC000928644045 645853488 /nfs/dbraw/zinc/85/34/88/645853488.db2.gz ODLHKZLWZBRQRF-VIFPVBQESA-N 1 2 216.281 -0.794 20 0 BBADLO CCN(CCC(N)=O)C(=O)Cn1cc[nH+]c1 ZINC000928819937 636384175 /nfs/dbraw/zinc/38/41/75/636384175.db2.gz RBPFTJPMTFHHEL-UHFFFAOYSA-N 1 2 224.264 -0.393 20 0 BBADLO CCN(CCC(N)=O)C(=O)Cc1[nH]c[nH+]c1C ZINC000928823028 636386163 /nfs/dbraw/zinc/38/61/63/636386163.db2.gz ZCNFOTLLCRNWMP-UHFFFAOYSA-N 1 2 238.291 -0.015 20 0 BBADLO CCN(CCC(N)=O)C(=O)CCn1cc[nH+]c1 ZINC000928824539 645861839 /nfs/dbraw/zinc/86/18/39/645861839.db2.gz RVRFAODZCAQRGD-UHFFFAOYSA-N 1 2 238.291 -0.003 20 0 BBADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCOCN1 ZINC000928944025 636584425 /nfs/dbraw/zinc/58/44/25/636584425.db2.gz ABWHYZQFAMSAIB-HTQZYQBOSA-N 1 2 222.248 -0.166 20 0 BBADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCOCN1 ZINC000928944025 636584421 /nfs/dbraw/zinc/58/44/21/636584421.db2.gz ABWHYZQFAMSAIB-HTQZYQBOSA-N 1 2 222.248 -0.166 20 0 BBADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCOCN1 ZINC000928946335 636604251 /nfs/dbraw/zinc/60/42/51/636604251.db2.gz KQJFWJYMHQYSNU-SECBINFHSA-N 1 2 236.275 -0.234 20 0 BBADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCOCN1 ZINC000928946336 636603893 /nfs/dbraw/zinc/60/38/93/636603893.db2.gz KQJFWJYMHQYSNU-VIFPVBQESA-N 1 2 236.275 -0.234 20 0 BBADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCOCN1 ZINC000928946350 636604997 /nfs/dbraw/zinc/60/49/97/636604997.db2.gz LQXPIVIMVDWWRZ-SECBINFHSA-N 1 2 236.275 -0.234 20 0 BBADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCOCN1 ZINC000928946351 636604422 /nfs/dbraw/zinc/60/44/22/636604422.db2.gz LQXPIVIMVDWWRZ-VIFPVBQESA-N 1 2 236.275 -0.234 20 0 BBADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCOCN1 ZINC000928946383 636604144 /nfs/dbraw/zinc/60/41/44/636604144.db2.gz MYQATPOQVQKGAE-MRVPVSSYSA-N 1 2 224.264 -0.091 20 0 BBADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCOCN1 ZINC000928946383 636604141 /nfs/dbraw/zinc/60/41/41/636604141.db2.gz MYQATPOQVQKGAE-MRVPVSSYSA-N 1 2 224.264 -0.091 20 0 BBADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCOCN1 ZINC000928946574 636604908 /nfs/dbraw/zinc/60/49/08/636604908.db2.gz MYQATPOQVQKGAE-QMMMGPOBSA-N 1 2 224.264 -0.091 20 0 BBADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCOCN1 ZINC000928946574 636604903 /nfs/dbraw/zinc/60/49/03/636604903.db2.gz MYQATPOQVQKGAE-QMMMGPOBSA-N 1 2 224.264 -0.091 20 0 BBADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCOCN1 ZINC000928946947 636606199 /nfs/dbraw/zinc/60/61/99/636606199.db2.gz RKVZADRYJPDECP-SECBINFHSA-N 1 2 236.275 -0.234 20 0 BBADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCOCN1 ZINC000928946948 636605592 /nfs/dbraw/zinc/60/55/92/636605592.db2.gz RKVZADRYJPDECP-VIFPVBQESA-N 1 2 236.275 -0.234 20 0 BBADLO O=C(CNc1cccc[nH+]1)N1CCOCN1 ZINC000928947206 645903159 /nfs/dbraw/zinc/90/31/59/645903159.db2.gz QLFLNLZRFAVCDA-UHFFFAOYSA-N 1 2 222.248 -0.186 20 0 BBADLO Cn1c[nH+]cc1CCC(=O)N1CCOCN1 ZINC000928949135 636617104 /nfs/dbraw/zinc/61/71/04/636617104.db2.gz GNXJJNRFNRBTAM-UHFFFAOYSA-N 1 2 224.264 -0.326 20 0 BBADLO Cn1c[nH+]cc1CC(=O)N1CCOCN1 ZINC000928949657 636620230 /nfs/dbraw/zinc/62/02/30/636620230.db2.gz ZMTUGRLPPNGXFW-UHFFFAOYSA-N 1 2 210.237 -0.717 20 0 BBADLO O=C(CCc1c[nH+]c[nH]1)N1CCOCN1 ZINC000928949696 636619072 /nfs/dbraw/zinc/61/90/72/636619072.db2.gz NEDUHPMJSSUYLL-UHFFFAOYSA-N 1 2 210.237 -0.337 20 0 BBADLO O=C(CCc1c[nH]c[nH+]1)N1CCOCN1 ZINC000928949696 636619069 /nfs/dbraw/zinc/61/90/69/636619069.db2.gz NEDUHPMJSSUYLL-UHFFFAOYSA-N 1 2 210.237 -0.337 20 0 BBADLO O=C(CCc1[nH]cc[nH+]1)N1CCOCN1 ZINC000928950047 636620822 /nfs/dbraw/zinc/62/08/22/636620822.db2.gz RRUFPXWOHHNTTK-UHFFFAOYSA-N 1 2 210.237 -0.337 20 0 BBADLO Cc1[nH+]c[nH]c1CC(=O)N1CCOCN1 ZINC000928950621 645907383 /nfs/dbraw/zinc/90/73/83/645907383.db2.gz ZZMIEGNHBAWCKP-UHFFFAOYSA-N 1 2 210.237 -0.418 20 0 BBADLO O=C(CCn1cc[nH+]c1)N1CCOCN1 ZINC000928951164 636627128 /nfs/dbraw/zinc/62/71/28/636627128.db2.gz RHDMGAACTXKNOI-UHFFFAOYSA-N 1 2 210.237 -0.406 20 0 BBADLO O=C(CCCn1cc[nH+]c1)N1CCOCN1 ZINC000928951188 645908024 /nfs/dbraw/zinc/90/80/24/645908024.db2.gz RQDXXIFMRRAONH-UHFFFAOYSA-N 1 2 224.264 -0.016 20 0 BBADLO C[C@H](C(=O)N1CCOCN1)[NH+]1CCSCC1 ZINC000928952111 645909229 /nfs/dbraw/zinc/90/92/29/645909229.db2.gz GYAQXJGAEJBIFS-SECBINFHSA-N 1 2 245.348 -0.255 20 0 BBADLO C[C@@H](C(=O)N1CCOCN1)[NH+]1CCSCC1 ZINC000928952112 645909790 /nfs/dbraw/zinc/90/97/90/645909790.db2.gz GYAQXJGAEJBIFS-VIFPVBQESA-N 1 2 245.348 -0.255 20 0 BBADLO CCn1c[nH+]c2c1CCN(c1nnnn1C)C2 ZINC000929057941 645929539 /nfs/dbraw/zinc/92/95/39/645929539.db2.gz MAKFKEGGFYJHSU-UHFFFAOYSA-N 1 2 233.279 -0.011 20 0 BBADLO CON1CC[C@H](N2CCc3[nH+]c[nH]c3C2)C1=O ZINC000929069949 645933123 /nfs/dbraw/zinc/93/31/23/645933123.db2.gz OCMNZRZKCRIBPW-JTQLQIEISA-N 1 2 236.275 -0.070 20 0 BBADLO CON1CC[C@@H](N2CCc3[nH+]c[nH]c3C2)C1=O ZINC000929069950 645933011 /nfs/dbraw/zinc/93/30/11/645933011.db2.gz OCMNZRZKCRIBPW-SNVBAGLBSA-N 1 2 236.275 -0.070 20 0 BBADLO CC[C@](C)(O)C(=O)N1CC[NH+](C)CC1 ZINC000929099314 645940757 /nfs/dbraw/zinc/94/07/57/645940757.db2.gz DTJAUTSARHUIMF-JTQLQIEISA-N 1 2 200.282 -0.079 20 0 BBADLO CC[C@@](C)(O)C(=O)N1CC[NH+](C)CC1 ZINC000929099315 645939819 /nfs/dbraw/zinc/93/98/19/645939819.db2.gz DTJAUTSARHUIMF-SNVBAGLBSA-N 1 2 200.282 -0.079 20 0 BBADLO C[C@@H]1OCCO[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000929099601 645933818 /nfs/dbraw/zinc/93/38/18/645933818.db2.gz GDMSZWVVJVJONS-UWVGGRQHSA-N 1 2 228.292 -0.436 20 0 BBADLO COc1nccc(C(=O)N2CC[NH+](C)CC2)n1 ZINC000929100586 645940054 /nfs/dbraw/zinc/94/00/54/645940054.db2.gz OFRYGHUCVVLKIG-UHFFFAOYSA-N 1 2 236.275 -0.127 20 0 BBADLO CS(=O)(=O)N1CC[NH+](CCOC2CC2)CC1 ZINC000929101297 645940528 /nfs/dbraw/zinc/94/05/28/645940528.db2.gz VTPDQOFWUIHHQV-UHFFFAOYSA-N 1 2 248.348 -0.257 20 0 BBADLO CCn1cc(C(=O)N2CC[NH+](C)CC2)nn1 ZINC000929101506 645939975 /nfs/dbraw/zinc/93/99/75/645939975.db2.gz YQRDEALKRQNUFV-UHFFFAOYSA-N 1 2 223.280 -0.314 20 0 BBADLO C[C@@H]1C[N@@H+](CC2CN(S(C)(=O)=O)C2)CCO1 ZINC000929108611 645946991 /nfs/dbraw/zinc/94/69/91/645946991.db2.gz DNVBLXDIZXJMPI-SECBINFHSA-N 1 2 248.348 -0.402 20 0 BBADLO C[C@@H]1C[N@H+](CC2CN(S(C)(=O)=O)C2)CCO1 ZINC000929108611 645946987 /nfs/dbraw/zinc/94/69/87/645946987.db2.gz DNVBLXDIZXJMPI-SECBINFHSA-N 1 2 248.348 -0.402 20 0 BBADLO C[C@H]1C[N@@H+](CC2CN(S(C)(=O)=O)C2)CCO1 ZINC000929108613 645948287 /nfs/dbraw/zinc/94/82/87/645948287.db2.gz DNVBLXDIZXJMPI-VIFPVBQESA-N 1 2 248.348 -0.402 20 0 BBADLO C[C@H]1C[N@H+](CC2CN(S(C)(=O)=O)C2)CCO1 ZINC000929108613 645948280 /nfs/dbraw/zinc/94/82/80/645948280.db2.gz DNVBLXDIZXJMPI-VIFPVBQESA-N 1 2 248.348 -0.402 20 0 BBADLO CCOC(=O)N1CC[NH+](C[C@@H](O)[C@@H](C)O)CC1 ZINC000929126333 645957741 /nfs/dbraw/zinc/95/77/41/645957741.db2.gz WTECHFOQPHBADN-NXEZZACHSA-N 1 2 246.307 -0.498 20 0 BBADLO CCOC(=O)N1CC[NH+](C[C@H](O)[C@H](C)O)CC1 ZINC000929126334 645957522 /nfs/dbraw/zinc/95/75/22/645957522.db2.gz WTECHFOQPHBADN-UWVGGRQHSA-N 1 2 246.307 -0.498 20 0 BBADLO CCOC(=O)N1CC[NH+](C[C@@H](O)[C@H](C)O)CC1 ZINC000929126335 645950019 /nfs/dbraw/zinc/95/00/19/645950019.db2.gz WTECHFOQPHBADN-VHSXEESVSA-N 1 2 246.307 -0.498 20 0 BBADLO CCOC(=O)N1CC[NH+](C[C@H](O)[C@@H](C)O)CC1 ZINC000929126336 645950438 /nfs/dbraw/zinc/95/04/38/645950438.db2.gz WTECHFOQPHBADN-ZJUUUORDSA-N 1 2 246.307 -0.498 20 0 BBADLO CC(C)C(=O)N1CC[NH+](C[C@@H](O)CO)CC1 ZINC000929137489 645965527 /nfs/dbraw/zinc/96/55/27/645965527.db2.gz GPNSALQMEFZQLT-SNVBAGLBSA-N 1 2 230.308 -0.860 20 0 BBADLO CC(C)(C)C(=O)N1CC[NH+](C[C@H](O)CO)CC1 ZINC000929171531 645984967 /nfs/dbraw/zinc/98/49/67/645984967.db2.gz ZSNIULHBMFXLOA-JTQLQIEISA-N 1 2 244.335 -0.470 20 0 BBADLO CC(C)(C)C(=O)N1CC[NH+](C[C@@H](O)CO)CC1 ZINC000929171532 645985435 /nfs/dbraw/zinc/98/54/35/645985435.db2.gz ZSNIULHBMFXLOA-SNVBAGLBSA-N 1 2 244.335 -0.470 20 0 BBADLO CC(=O)N1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000929214524 646011449 /nfs/dbraw/zinc/01/14/49/646011449.db2.gz MVZVSZMZMZNNHS-GFCCVEGCSA-N 1 2 242.319 -0.044 20 0 BBADLO CC(=O)N1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000929214525 646012119 /nfs/dbraw/zinc/01/21/19/646012119.db2.gz MVZVSZMZMZNNHS-LBPRGKRZSA-N 1 2 242.319 -0.044 20 0 BBADLO O=C(C[N@@H+]1CCC[C@@H](O)C1)Nc1cccnn1 ZINC000929215722 646015864 /nfs/dbraw/zinc/01/58/64/646015864.db2.gz QZKPHDASYFWPDM-SECBINFHSA-N 1 2 236.275 -0.128 20 0 BBADLO O=C(C[N@H+]1CCC[C@@H](O)C1)Nc1cccnn1 ZINC000929215722 646015857 /nfs/dbraw/zinc/01/58/57/646015857.db2.gz QZKPHDASYFWPDM-SECBINFHSA-N 1 2 236.275 -0.128 20 0 BBADLO O=C(C[N@@H+]1CCC[C@H](O)C1)Nc1cccnn1 ZINC000929215723 646014662 /nfs/dbraw/zinc/01/46/62/646014662.db2.gz QZKPHDASYFWPDM-VIFPVBQESA-N 1 2 236.275 -0.128 20 0 BBADLO O=C(C[N@H+]1CCC[C@H](O)C1)Nc1cccnn1 ZINC000929215723 646014659 /nfs/dbraw/zinc/01/46/59/646014659.db2.gz QZKPHDASYFWPDM-VIFPVBQESA-N 1 2 236.275 -0.128 20 0 BBADLO OCC[NH+]1CCN(Cc2nncs2)CC1 ZINC000929216471 646014609 /nfs/dbraw/zinc/01/46/09/646014609.db2.gz RZQPEPBPLFXAIP-UHFFFAOYSA-N 1 2 228.321 -0.352 20 0 BBADLO Cc1cc(NC(=O)C[N@@H+](C)C[C@@H](O)CO)no1 ZINC000929241016 646029235 /nfs/dbraw/zinc/02/92/35/646029235.db2.gz ZYIGPIVMNIPMNF-MRVPVSSYSA-N 1 2 243.263 -0.793 20 0 BBADLO Cc1cc(NC(=O)C[N@H+](C)C[C@@H](O)CO)no1 ZINC000929241016 646029228 /nfs/dbraw/zinc/02/92/28/646029228.db2.gz ZYIGPIVMNIPMNF-MRVPVSSYSA-N 1 2 243.263 -0.793 20 0 BBADLO C[C@H]1COCC[N@H+]1CC1CN(S(C)(=O)=O)C1 ZINC000929252575 646035881 /nfs/dbraw/zinc/03/58/81/646035881.db2.gz QPAZULDQARIZIR-VIFPVBQESA-N 1 2 248.348 -0.402 20 0 BBADLO C[C@H]1COCC[N@@H+]1CC1CN(S(C)(=O)=O)C1 ZINC000929252575 646035878 /nfs/dbraw/zinc/03/58/78/646035878.db2.gz QPAZULDQARIZIR-VIFPVBQESA-N 1 2 248.348 -0.402 20 0 BBADLO Cc1cc(C[N@@H+](C)C[C@@H](O)CO)no1 ZINC000929257790 646038761 /nfs/dbraw/zinc/03/87/61/646038761.db2.gz QLDIIHACZGZYAE-SECBINFHSA-N 1 2 200.238 -0.232 20 0 BBADLO Cc1cc(C[N@H+](C)C[C@@H](O)CO)no1 ZINC000929257790 646038757 /nfs/dbraw/zinc/03/87/57/646038757.db2.gz QLDIIHACZGZYAE-SECBINFHSA-N 1 2 200.238 -0.232 20 0 BBADLO CC[N@@H+](CC(=O)N(C)C)[C@@H]1CCN(OC)C1=O ZINC000929260117 643848793 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ZINC000929487864 646143442 /nfs/dbraw/zinc/14/34/42/646143442.db2.gz PBODVBSENNVPED-BDAKNGLRSA-N 1 2 214.265 -0.778 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@H]1COCCO1 ZINC000929487864 646143436 /nfs/dbraw/zinc/14/34/36/646143436.db2.gz PBODVBSENNVPED-BDAKNGLRSA-N 1 2 214.265 -0.778 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1COCCO1 ZINC000929487866 646142783 /nfs/dbraw/zinc/14/27/83/646142783.db2.gz PBODVBSENNVPED-DTWKUNHWSA-N 1 2 214.265 -0.778 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1C[C@@H]1COCCO1 ZINC000929487866 646142778 /nfs/dbraw/zinc/14/27/78/646142778.db2.gz PBODVBSENNVPED-DTWKUNHWSA-N 1 2 214.265 -0.778 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@H]1COCCO1 ZINC000929487868 646141895 /nfs/dbraw/zinc/14/18/95/646141895.db2.gz PBODVBSENNVPED-IUCAKERBSA-N 1 2 214.265 -0.778 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1C[C@H]1COCCO1 ZINC000929487868 646141888 /nfs/dbraw/zinc/14/18/88/646141888.db2.gz PBODVBSENNVPED-IUCAKERBSA-N 1 2 214.265 -0.778 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1COCCO1 ZINC000929487869 646143187 /nfs/dbraw/zinc/14/31/87/646143187.db2.gz PBODVBSENNVPED-RKDXNWHRSA-N 1 2 214.265 -0.778 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1COCCO1 ZINC000929487869 646143183 /nfs/dbraw/zinc/14/31/83/646143183.db2.gz PBODVBSENNVPED-RKDXNWHRSA-N 1 2 214.265 -0.778 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)C1(O)CCC1 ZINC000929488202 646143789 /nfs/dbraw/zinc/14/37/89/646143789.db2.gz SJRNZGQKLOSZFW-BDAKNGLRSA-N 1 2 228.292 -0.917 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)C1(O)CCC1 ZINC000929488202 646143787 /nfs/dbraw/zinc/14/37/87/646143787.db2.gz SJRNZGQKLOSZFW-BDAKNGLRSA-N 1 2 228.292 -0.917 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)C1(O)CCC1 ZINC000929488204 646142956 /nfs/dbraw/zinc/14/29/56/646142956.db2.gz SJRNZGQKLOSZFW-DTWKUNHWSA-N 1 2 228.292 -0.917 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)C1(O)CCC1 ZINC000929488204 646142953 /nfs/dbraw/zinc/14/29/53/646142953.db2.gz SJRNZGQKLOSZFW-DTWKUNHWSA-N 1 2 228.292 -0.917 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)C1(O)CCC1 ZINC000929488205 646143773 /nfs/dbraw/zinc/14/37/73/646143773.db2.gz SJRNZGQKLOSZFW-IUCAKERBSA-N 1 2 228.292 -0.917 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1C[C@H](O)C1(O)CCC1 ZINC000929488205 646143768 /nfs/dbraw/zinc/14/37/68/646143768.db2.gz SJRNZGQKLOSZFW-IUCAKERBSA-N 1 2 228.292 -0.917 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)C1(O)CCC1 ZINC000929488207 646142113 /nfs/dbraw/zinc/14/21/13/646142113.db2.gz SJRNZGQKLOSZFW-RKDXNWHRSA-N 1 2 228.292 -0.917 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)C1(O)CCC1 ZINC000929488207 646142106 /nfs/dbraw/zinc/14/21/06/646142106.db2.gz SJRNZGQKLOSZFW-RKDXNWHRSA-N 1 2 228.292 -0.917 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)C1(O)CCCC1 ZINC000929488547 646142757 /nfs/dbraw/zinc/14/27/57/646142757.db2.gz VJQAPJDQYXJUEC-NXEZZACHSA-N 1 2 242.319 -0.527 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)C1(O)CCCC1 ZINC000929488547 646142752 /nfs/dbraw/zinc/14/27/52/646142752.db2.gz VJQAPJDQYXJUEC-NXEZZACHSA-N 1 2 242.319 -0.527 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)C1(O)CCCC1 ZINC000929488548 646143347 /nfs/dbraw/zinc/14/33/47/646143347.db2.gz VJQAPJDQYXJUEC-UWVGGRQHSA-N 1 2 242.319 -0.527 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1C[C@H](O)C1(O)CCCC1 ZINC000929488548 646143345 /nfs/dbraw/zinc/14/33/45/646143345.db2.gz VJQAPJDQYXJUEC-UWVGGRQHSA-N 1 2 242.319 -0.527 20 0 BBADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)C1(O)CCCC1 ZINC000929488549 646142179 /nfs/dbraw/zinc/14/21/79/646142179.db2.gz VJQAPJDQYXJUEC-VHSXEESVSA-N 1 2 242.319 -0.527 20 0 BBADLO C[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)C1(O)CCCC1 ZINC000929488549 646142173 /nfs/dbraw/zinc/14/21/73/646142173.db2.gz VJQAPJDQYXJUEC-VHSXEESVSA-N 1 2 242.319 -0.527 20 0 BBADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)C1(O)CCCC1 ZINC000929488550 646142514 /nfs/dbraw/zinc/14/25/14/646142514.db2.gz VJQAPJDQYXJUEC-ZJUUUORDSA-N 1 2 242.319 -0.527 20 0 BBADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)C1(O)CCCC1 ZINC000929488550 646142506 /nfs/dbraw/zinc/14/25/06/646142506.db2.gz VJQAPJDQYXJUEC-ZJUUUORDSA-N 1 2 242.319 -0.527 20 0 BBADLO CC[N@H+](CC(=O)OC)C[C@@H](O)C1(O)CCC1 ZINC000929503703 646157577 /nfs/dbraw/zinc/15/75/77/646157577.db2.gz KCJDZZUIDRMILT-SECBINFHSA-N 1 2 231.292 -0.243 20 0 BBADLO CC[N@@H+](CC(=O)OC)C[C@@H](O)C1(O)CCC1 ZINC000929503703 646157570 /nfs/dbraw/zinc/15/75/70/646157570.db2.gz KCJDZZUIDRMILT-SECBINFHSA-N 1 2 231.292 -0.243 20 0 BBADLO CC[N@H+](CC(=O)OC)C[C@H](O)C1(O)CCC1 ZINC000929503704 646158066 /nfs/dbraw/zinc/15/80/66/646158066.db2.gz KCJDZZUIDRMILT-VIFPVBQESA-N 1 2 231.292 -0.243 20 0 BBADLO CC[N@@H+](CC(=O)OC)C[C@H](O)C1(O)CCC1 ZINC000929503704 646158063 /nfs/dbraw/zinc/15/80/63/646158063.db2.gz KCJDZZUIDRMILT-VIFPVBQESA-N 1 2 231.292 -0.243 20 0 BBADLO CC[N@H+](CC(=O)OC)C[C@@H](O)[C@@H](C)O ZINC000929504439 646156387 /nfs/dbraw/zinc/15/63/87/646156387.db2.gz NGJTVCDQQKDQLH-HTQZYQBOSA-N 1 2 205.254 -0.777 20 0 BBADLO CC[N@@H+](CC(=O)OC)C[C@@H](O)[C@@H](C)O ZINC000929504439 646156380 /nfs/dbraw/zinc/15/63/80/646156380.db2.gz NGJTVCDQQKDQLH-HTQZYQBOSA-N 1 2 205.254 -0.777 20 0 BBADLO CC[N@H+](CC(=O)OC)C[C@@H](O)[C@H](C)O ZINC000929504441 646157827 /nfs/dbraw/zinc/15/78/27/646157827.db2.gz NGJTVCDQQKDQLH-JGVFFNPUSA-N 1 2 205.254 -0.777 20 0 BBADLO CC[N@@H+](CC(=O)OC)C[C@@H](O)[C@H](C)O ZINC000929504441 646157824 /nfs/dbraw/zinc/15/78/24/646157824.db2.gz NGJTVCDQQKDQLH-JGVFFNPUSA-N 1 2 205.254 -0.777 20 0 BBADLO CC[N@H+](CC(=O)OC)C[C@H](O)[C@@H](C)O ZINC000929504443 646133187 /nfs/dbraw/zinc/13/31/87/646133187.db2.gz NGJTVCDQQKDQLH-SFYZADRCSA-N 1 2 205.254 -0.777 20 0 BBADLO CC[N@@H+](CC(=O)OC)C[C@H](O)[C@@H](C)O ZINC000929504443 646133184 /nfs/dbraw/zinc/13/31/84/646133184.db2.gz NGJTVCDQQKDQLH-SFYZADRCSA-N 1 2 205.254 -0.777 20 0 BBADLO CC[N@H+](CC(=O)OC)C[C@H](O)[C@H](C)O ZINC000929504444 646132709 /nfs/dbraw/zinc/13/27/09/646132709.db2.gz NGJTVCDQQKDQLH-YUMQZZPRSA-N 1 2 205.254 -0.777 20 0 BBADLO CC[N@@H+](CC(=O)OC)C[C@H](O)[C@H](C)O ZINC000929504444 646132704 /nfs/dbraw/zinc/13/27/04/646132704.db2.gz NGJTVCDQQKDQLH-YUMQZZPRSA-N 1 2 205.254 -0.777 20 0 BBADLO O=C(C[N@@H+]1CC[C@H](O)C1)Nc1cccnn1 ZINC000929521321 646172359 /nfs/dbraw/zinc/17/23/59/646172359.db2.gz XJOVZVBMJAZDQT-QMMMGPOBSA-N 1 2 222.248 -0.518 20 0 BBADLO O=C(C[N@H+]1CC[C@H](O)C1)Nc1cccnn1 ZINC000929521321 646172351 /nfs/dbraw/zinc/17/23/51/646172351.db2.gz XJOVZVBMJAZDQT-QMMMGPOBSA-N 1 2 222.248 -0.518 20 0 BBADLO NC(=O)C[N@H+](Cc1ccccc1)C[C@@H](O)CO ZINC000929627710 646210046 /nfs/dbraw/zinc/21/00/46/646210046.db2.gz KFGPXVUWICNGOK-LLVKDONJSA-N 1 2 238.287 -0.673 20 0 BBADLO NC(=O)C[N@@H+](Cc1ccccc1)C[C@@H](O)CO ZINC000929627710 646210042 /nfs/dbraw/zinc/21/00/42/646210042.db2.gz KFGPXVUWICNGOK-LLVKDONJSA-N 1 2 238.287 -0.673 20 0 BBADLO NC(=O)C[N@H+](Cc1ccccc1)C[C@H](O)CO ZINC000929627711 646208564 /nfs/dbraw/zinc/20/85/64/646208564.db2.gz KFGPXVUWICNGOK-NSHDSACASA-N 1 2 238.287 -0.673 20 0 BBADLO NC(=O)C[N@@H+](Cc1ccccc1)C[C@H](O)CO ZINC000929627711 646208557 /nfs/dbraw/zinc/20/85/57/646208557.db2.gz KFGPXVUWICNGOK-NSHDSACASA-N 1 2 238.287 -0.673 20 0 BBADLO CC[N@@H+](C[C@H](O)CO)[C@H](C)CS(C)(=O)=O ZINC000929634416 646211713 /nfs/dbraw/zinc/21/17/13/646211713.db2.gz FOTURDSLCPJAQO-BDAKNGLRSA-N 1 2 239.337 -0.905 20 0 BBADLO CC[N@H+](C[C@H](O)CO)[C@H](C)CS(C)(=O)=O ZINC000929634416 646211708 /nfs/dbraw/zinc/21/17/08/646211708.db2.gz FOTURDSLCPJAQO-BDAKNGLRSA-N 1 2 239.337 -0.905 20 0 BBADLO CC[N@@H+](C[C@@H](O)CO)[C@@H](C)CS(C)(=O)=O ZINC000929634419 646213704 /nfs/dbraw/zinc/21/37/04/646213704.db2.gz FOTURDSLCPJAQO-DTWKUNHWSA-N 1 2 239.337 -0.905 20 0 BBADLO CC[N@H+](C[C@@H](O)CO)[C@@H](C)CS(C)(=O)=O ZINC000929634419 646213700 /nfs/dbraw/zinc/21/37/00/646213700.db2.gz FOTURDSLCPJAQO-DTWKUNHWSA-N 1 2 239.337 -0.905 20 0 BBADLO CC[N@@H+](C[C@H](O)CO)[C@@H](C)CS(C)(=O)=O ZINC000929634421 646213561 /nfs/dbraw/zinc/21/35/61/646213561.db2.gz FOTURDSLCPJAQO-IUCAKERBSA-N 1 2 239.337 -0.905 20 0 BBADLO CC[N@H+](C[C@H](O)CO)[C@@H](C)CS(C)(=O)=O ZINC000929634421 646213552 /nfs/dbraw/zinc/21/35/52/646213552.db2.gz FOTURDSLCPJAQO-IUCAKERBSA-N 1 2 239.337 -0.905 20 0 BBADLO CC[N@@H+](C[C@@H](O)CO)[C@H](C)CS(C)(=O)=O ZINC000929634422 646213228 /nfs/dbraw/zinc/21/32/28/646213228.db2.gz FOTURDSLCPJAQO-RKDXNWHRSA-N 1 2 239.337 -0.905 20 0 BBADLO CC[N@H+](C[C@@H](O)CO)[C@H](C)CS(C)(=O)=O ZINC000929634422 646213225 /nfs/dbraw/zinc/21/32/25/646213225.db2.gz FOTURDSLCPJAQO-RKDXNWHRSA-N 1 2 239.337 -0.905 20 0 BBADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@H](O)CO ZINC000929641925 646217002 /nfs/dbraw/zinc/21/70/02/646217002.db2.gz YBTNWTAEWQFMLQ-BDAKNGLRSA-N 1 2 239.337 -0.905 20 0 BBADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@H](O)CO ZINC000929641925 646216999 /nfs/dbraw/zinc/21/69/99/646216999.db2.gz YBTNWTAEWQFMLQ-BDAKNGLRSA-N 1 2 239.337 -0.905 20 0 BBADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@@H](O)CO ZINC000929641926 646216299 /nfs/dbraw/zinc/21/62/99/646216299.db2.gz YBTNWTAEWQFMLQ-DTWKUNHWSA-N 1 2 239.337 -0.905 20 0 BBADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@@H](O)CO ZINC000929641926 646216297 /nfs/dbraw/zinc/21/62/97/646216297.db2.gz YBTNWTAEWQFMLQ-DTWKUNHWSA-N 1 2 239.337 -0.905 20 0 BBADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@H](O)CO ZINC000929641927 646214925 /nfs/dbraw/zinc/21/49/25/646214925.db2.gz YBTNWTAEWQFMLQ-IUCAKERBSA-N 1 2 239.337 -0.905 20 0 BBADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@H](O)CO ZINC000929641927 646214920 /nfs/dbraw/zinc/21/49/20/646214920.db2.gz YBTNWTAEWQFMLQ-IUCAKERBSA-N 1 2 239.337 -0.905 20 0 BBADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@@H](O)CO ZINC000929641928 646217250 /nfs/dbraw/zinc/21/72/50/646217250.db2.gz YBTNWTAEWQFMLQ-RKDXNWHRSA-N 1 2 239.337 -0.905 20 0 BBADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@@H](O)CO ZINC000929641928 646217249 /nfs/dbraw/zinc/21/72/49/646217249.db2.gz YBTNWTAEWQFMLQ-RKDXNWHRSA-N 1 2 239.337 -0.905 20 0 BBADLO CC1(C)C(=O)NCC[N@@H+]1C[C@@H]1COCCO1 ZINC000929654655 646222489 /nfs/dbraw/zinc/22/24/89/646222489.db2.gz PFYOSIGKGCULNR-SECBINFHSA-N 1 2 228.292 -0.388 20 0 BBADLO CC1(C)C(=O)NCC[N@H+]1C[C@@H]1COCCO1 ZINC000929654655 646222481 /nfs/dbraw/zinc/22/24/81/646222481.db2.gz PFYOSIGKGCULNR-SECBINFHSA-N 1 2 228.292 -0.388 20 0 BBADLO CC1(C)C(=O)NCC[N@@H+]1C[C@H]1COCCO1 ZINC000929654656 646223290 /nfs/dbraw/zinc/22/32/90/646223290.db2.gz PFYOSIGKGCULNR-VIFPVBQESA-N 1 2 228.292 -0.388 20 0 BBADLO CC1(C)C(=O)NCC[N@H+]1C[C@H]1COCCO1 ZINC000929654656 646223286 /nfs/dbraw/zinc/22/32/86/646223286.db2.gz PFYOSIGKGCULNR-VIFPVBQESA-N 1 2 228.292 -0.388 20 0 BBADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1C[C@@H](O)CO ZINC000929679471 646238312 /nfs/dbraw/zinc/23/83/12/646238312.db2.gz HYMLQRSAZVJHEP-XULOGPSESA-N 1 2 221.322 -0.819 20 0 BBADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1C[C@@H](O)CO ZINC000929679471 646238310 /nfs/dbraw/zinc/23/83/10/646238310.db2.gz HYMLQRSAZVJHEP-XULOGPSESA-N 1 2 221.322 -0.819 20 0 BBADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1C[C@H](O)CO ZINC000929679472 646237803 /nfs/dbraw/zinc/23/78/03/646237803.db2.gz HYMLQRSAZVJHEP-LVAGBLAWSA-N 1 2 221.322 -0.819 20 0 BBADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1C[C@H](O)CO ZINC000929679472 646237796 /nfs/dbraw/zinc/23/77/96/646237796.db2.gz HYMLQRSAZVJHEP-LVAGBLAWSA-N 1 2 221.322 -0.819 20 0 BBADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1C[C@H](O)CO ZINC000929679473 646236697 /nfs/dbraw/zinc/23/66/97/646236697.db2.gz HYMLQRSAZVJHEP-LHGDVCQASA-N 1 2 221.322 -0.819 20 0 BBADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1C[C@H](O)CO ZINC000929679473 646236694 /nfs/dbraw/zinc/23/66/94/646236694.db2.gz HYMLQRSAZVJHEP-LHGDVCQASA-N 1 2 221.322 -0.819 20 0 BBADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1C[C@H](O)CO ZINC000929679474 646236362 /nfs/dbraw/zinc/23/63/62/646236362.db2.gz HYMLQRSAZVJHEP-JWUFEOHASA-N 1 2 221.322 -0.819 20 0 BBADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1C[C@H](O)CO ZINC000929679474 646236354 /nfs/dbraw/zinc/23/63/54/646236354.db2.gz HYMLQRSAZVJHEP-JWUFEOHASA-N 1 2 221.322 -0.819 20 0 BBADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1C[C@@H](O)CO ZINC000929679475 646237828 /nfs/dbraw/zinc/23/78/28/646237828.db2.gz HYMLQRSAZVJHEP-MSLVZZLFSA-N 1 2 221.322 -0.819 20 0 BBADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1C[C@@H](O)CO ZINC000929679475 646237822 /nfs/dbraw/zinc/23/78/22/646237822.db2.gz HYMLQRSAZVJHEP-MSLVZZLFSA-N 1 2 221.322 -0.819 20 0 BBADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1C[C@H](O)CO ZINC000929679476 646238377 /nfs/dbraw/zinc/23/83/77/646238377.db2.gz HYMLQRSAZVJHEP-RBTHTUONSA-N 1 2 221.322 -0.819 20 0 BBADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1C[C@H](O)CO ZINC000929679476 646238367 /nfs/dbraw/zinc/23/83/67/646238367.db2.gz HYMLQRSAZVJHEP-RBTHTUONSA-N 1 2 221.322 -0.819 20 0 BBADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1C[C@@H](O)CO ZINC000929679477 646237174 /nfs/dbraw/zinc/23/71/74/646237174.db2.gz HYMLQRSAZVJHEP-UZVNTWEBSA-N 1 2 221.322 -0.819 20 0 BBADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1C[C@@H](O)CO ZINC000929679477 646237167 /nfs/dbraw/zinc/23/71/67/646237167.db2.gz HYMLQRSAZVJHEP-UZVNTWEBSA-N 1 2 221.322 -0.819 20 0 BBADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1C[C@@H](O)CO ZINC000929679478 646237783 /nfs/dbraw/zinc/23/77/83/646237783.db2.gz HYMLQRSAZVJHEP-FJBRNLEUSA-N 1 2 221.322 -0.819 20 0 BBADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1C[C@@H](O)CO ZINC000929679478 646237777 /nfs/dbraw/zinc/23/77/77/646237777.db2.gz HYMLQRSAZVJHEP-FJBRNLEUSA-N 1 2 221.322 -0.819 20 0 BBADLO C[C@H](O)[C@H](O)C[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000929680096 641394586 /nfs/dbraw/zinc/39/45/86/641394586.db2.gz KYFKWGPNTPJPTN-GVWKLRQCSA-N 1 2 235.349 -0.431 20 0 BBADLO C[C@H](O)[C@H](O)C[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000929680096 641394582 /nfs/dbraw/zinc/39/45/82/641394582.db2.gz KYFKWGPNTPJPTN-GVWKLRQCSA-N 1 2 235.349 -0.431 20 0 BBADLO C[C@H](O)[C@H](O)C[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000929680098 641395387 /nfs/dbraw/zinc/39/53/87/641395387.db2.gz KYFKWGPNTPJPTN-JDEMEPKESA-N 1 2 235.349 -0.431 20 0 BBADLO C[C@H](O)[C@H](O)C[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000929680098 641395385 /nfs/dbraw/zinc/39/53/85/641395385.db2.gz KYFKWGPNTPJPTN-JDEMEPKESA-N 1 2 235.349 -0.431 20 0 BBADLO C[C@H](O)[C@H](O)C[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000929680100 641395993 /nfs/dbraw/zinc/39/59/93/641395993.db2.gz KYFKWGPNTPJPTN-QMMRTUSYSA-N 1 2 235.349 -0.431 20 0 BBADLO C[C@H](O)[C@H](O)C[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000929680100 641395988 /nfs/dbraw/zinc/39/59/88/641395988.db2.gz KYFKWGPNTPJPTN-QMMRTUSYSA-N 1 2 235.349 -0.431 20 0 BBADLO C[C@H](O)[C@H](O)C[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000929680125 641395422 /nfs/dbraw/zinc/39/54/22/641395422.db2.gz KYFKWGPNTPJPTN-XHGUQWQNSA-N 1 2 235.349 -0.431 20 0 BBADLO C[C@H](O)[C@H](O)C[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000929680125 641395420 /nfs/dbraw/zinc/39/54/20/641395420.db2.gz KYFKWGPNTPJPTN-XHGUQWQNSA-N 1 2 235.349 -0.431 20 0 BBADLO CON1CC[C@H]([N@@H+](C)[C@@H]2CCN(C)C2=O)C1=O ZINC000929685376 646242394 /nfs/dbraw/zinc/24/23/94/646242394.db2.gz AHGPHHVFJIIKQO-BDAKNGLRSA-N 1 2 241.291 -0.689 20 0 BBADLO CON1CC[C@H]([N@H+](C)[C@@H]2CCN(C)C2=O)C1=O ZINC000929685376 646242390 /nfs/dbraw/zinc/24/23/90/646242390.db2.gz AHGPHHVFJIIKQO-BDAKNGLRSA-N 1 2 241.291 -0.689 20 0 BBADLO CON1CC[C@@H]([N@@H+](C)[C@H]2CCN(C)C2=O)C1=O ZINC000929685380 646243472 /nfs/dbraw/zinc/24/34/72/646243472.db2.gz AHGPHHVFJIIKQO-DTWKUNHWSA-N 1 2 241.291 -0.689 20 0 BBADLO CON1CC[C@@H]([N@H+](C)[C@H]2CCN(C)C2=O)C1=O ZINC000929685380 646243464 /nfs/dbraw/zinc/24/34/64/646243464.db2.gz AHGPHHVFJIIKQO-DTWKUNHWSA-N 1 2 241.291 -0.689 20 0 BBADLO CON1CC[C@H]([N@@H+](C)[C@H]2CCN(C)C2=O)C1=O ZINC000929685382 646243257 /nfs/dbraw/zinc/24/32/57/646243257.db2.gz AHGPHHVFJIIKQO-IUCAKERBSA-N 1 2 241.291 -0.689 20 0 BBADLO CON1CC[C@H]([N@H+](C)[C@H]2CCN(C)C2=O)C1=O ZINC000929685382 646243252 /nfs/dbraw/zinc/24/32/52/646243252.db2.gz AHGPHHVFJIIKQO-IUCAKERBSA-N 1 2 241.291 -0.689 20 0 BBADLO CON1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C)C2=O)C1=O ZINC000929685384 646244772 /nfs/dbraw/zinc/24/47/72/646244772.db2.gz AHGPHHVFJIIKQO-RKDXNWHRSA-N 1 2 241.291 -0.689 20 0 BBADLO CON1CC[C@@H]([N@H+](C)[C@@H]2CCN(C)C2=O)C1=O ZINC000929685384 646244762 /nfs/dbraw/zinc/24/47/62/646244762.db2.gz AHGPHHVFJIIKQO-RKDXNWHRSA-N 1 2 241.291 -0.689 20 0 BBADLO CN1CC[N@@H+](C[C@@H]2CCC3(COC3)O2)CC1=O ZINC000929694574 646250118 /nfs/dbraw/zinc/25/01/18/646250118.db2.gz JVTLDMBFITXKDD-JTQLQIEISA-N 1 2 240.303 -0.292 20 0 BBADLO CN1CC[N@H+](C[C@@H]2CCC3(COC3)O2)CC1=O ZINC000929694574 646250113 /nfs/dbraw/zinc/25/01/13/646250113.db2.gz JVTLDMBFITXKDD-JTQLQIEISA-N 1 2 240.303 -0.292 20 0 BBADLO CN1CC[N@@H+](C[C@H]2CCC3(COC3)O2)CC1=O ZINC000929694578 646249007 /nfs/dbraw/zinc/24/90/07/646249007.db2.gz JVTLDMBFITXKDD-SNVBAGLBSA-N 1 2 240.303 -0.292 20 0 BBADLO CN1CC[N@H+](C[C@H]2CCC3(COC3)O2)CC1=O ZINC000929694578 646248999 /nfs/dbraw/zinc/24/89/99/646248999.db2.gz JVTLDMBFITXKDD-SNVBAGLBSA-N 1 2 240.303 -0.292 20 0 BBADLO CN1CC[N@@H+](C[C@@H](O)C2(O)CCC2)CC1=O ZINC000929695076 646250452 /nfs/dbraw/zinc/25/04/52/646250452.db2.gz LFBFKSKNBKBKPH-SECBINFHSA-N 1 2 228.292 -0.964 20 0 BBADLO CN1CC[N@H+](C[C@@H](O)C2(O)CCC2)CC1=O ZINC000929695076 646250447 /nfs/dbraw/zinc/25/04/47/646250447.db2.gz LFBFKSKNBKBKPH-SECBINFHSA-N 1 2 228.292 -0.964 20 0 BBADLO CN1CC[N@@H+](C[C@H](O)C2(O)CCC2)CC1=O ZINC000929695082 646251070 /nfs/dbraw/zinc/25/10/70/646251070.db2.gz LFBFKSKNBKBKPH-VIFPVBQESA-N 1 2 228.292 -0.964 20 0 BBADLO CN1CC[N@H+](C[C@H](O)C2(O)CCC2)CC1=O ZINC000929695082 646251068 /nfs/dbraw/zinc/25/10/68/646251068.db2.gz LFBFKSKNBKBKPH-VIFPVBQESA-N 1 2 228.292 -0.964 20 0 BBADLO CN1CC[N@@H+](C[C@H](O)C2(O)CCCC2)CC1=O ZINC000929695593 646250588 /nfs/dbraw/zinc/25/05/88/646250588.db2.gz NYLPGPFWOMAEAS-JTQLQIEISA-N 1 2 242.319 -0.574 20 0 BBADLO CN1CC[N@H+](C[C@H](O)C2(O)CCCC2)CC1=O ZINC000929695593 646250582 /nfs/dbraw/zinc/25/05/82/646250582.db2.gz NYLPGPFWOMAEAS-JTQLQIEISA-N 1 2 242.319 -0.574 20 0 BBADLO CN1CC[N@@H+](C[C@@H](O)C2(O)CCCC2)CC1=O ZINC000929695596 646248658 /nfs/dbraw/zinc/24/86/58/646248658.db2.gz NYLPGPFWOMAEAS-SNVBAGLBSA-N 1 2 242.319 -0.574 20 0 BBADLO CN1CC[N@H+](C[C@@H](O)C2(O)CCCC2)CC1=O ZINC000929695596 646248652 /nfs/dbraw/zinc/24/86/52/646248652.db2.gz NYLPGPFWOMAEAS-SNVBAGLBSA-N 1 2 242.319 -0.574 20 0 BBADLO C[C@@H](O)[C@@H](O)C[N@@H+](C)Cc1ccon1 ZINC000929696333 646253709 /nfs/dbraw/zinc/25/37/09/646253709.db2.gz LBKRBXIIBJOGEE-APPZFPTMSA-N 1 2 200.238 -0.152 20 0 BBADLO C[C@@H](O)[C@@H](O)C[N@H+](C)Cc1ccon1 ZINC000929696333 646253707 /nfs/dbraw/zinc/25/37/07/646253707.db2.gz LBKRBXIIBJOGEE-APPZFPTMSA-N 1 2 200.238 -0.152 20 0 BBADLO C[C@H](O)[C@@H](O)C[N@@H+](C)Cc1ccon1 ZINC000929696335 646252619 /nfs/dbraw/zinc/25/26/19/646252619.db2.gz LBKRBXIIBJOGEE-CBAPKCEASA-N 1 2 200.238 -0.152 20 0 BBADLO C[C@H](O)[C@@H](O)C[N@H+](C)Cc1ccon1 ZINC000929696335 646252615 /nfs/dbraw/zinc/25/26/15/646252615.db2.gz LBKRBXIIBJOGEE-CBAPKCEASA-N 1 2 200.238 -0.152 20 0 BBADLO C[C@H](O)[C@H](O)C[N@@H+](C)Cc1ccon1 ZINC000929696336 646252131 /nfs/dbraw/zinc/25/21/31/646252131.db2.gz LBKRBXIIBJOGEE-IONNQARKSA-N 1 2 200.238 -0.152 20 0 BBADLO C[C@H](O)[C@H](O)C[N@H+](C)Cc1ccon1 ZINC000929696336 646252123 /nfs/dbraw/zinc/25/21/23/646252123.db2.gz LBKRBXIIBJOGEE-IONNQARKSA-N 1 2 200.238 -0.152 20 0 BBADLO C[C@@H](O)[C@H](O)C[N@@H+](C)Cc1ccon1 ZINC000929696338 646252696 /nfs/dbraw/zinc/25/26/96/646252696.db2.gz LBKRBXIIBJOGEE-VXNVDRBHSA-N 1 2 200.238 -0.152 20 0 BBADLO C[C@@H](O)[C@H](O)C[N@H+](C)Cc1ccon1 ZINC000929696338 646252693 /nfs/dbraw/zinc/25/26/93/646252693.db2.gz LBKRBXIIBJOGEE-VXNVDRBHSA-N 1 2 200.238 -0.152 20 0 BBADLO COCC(COC)[N@H+]1CCN(C)C(=O)C1 ZINC000929697166 646253903 /nfs/dbraw/zinc/25/39/03/646253903.db2.gz URWWJAOICFUBBQ-UHFFFAOYSA-N 1 2 216.281 -0.578 20 0 BBADLO COCC(COC)[N@@H+]1CCN(C)C(=O)C1 ZINC000929697166 646253899 /nfs/dbraw/zinc/25/38/99/646253899.db2.gz URWWJAOICFUBBQ-UHFFFAOYSA-N 1 2 216.281 -0.578 20 0 BBADLO CN1CC[N@@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)CC1=O ZINC000929697208 646253455 /nfs/dbraw/zinc/25/34/55/646253455.db2.gz WBDOKUBWWYZWQN-DCAQKATOSA-N 1 2 240.303 -0.436 20 0 BBADLO CN1CC[N@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)CC1=O ZINC000929697208 646253448 /nfs/dbraw/zinc/25/34/48/646253448.db2.gz WBDOKUBWWYZWQN-DCAQKATOSA-N 1 2 240.303 -0.436 20 0 BBADLO CN1CC[N@@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)CC1=O ZINC000929697210 646252079 /nfs/dbraw/zinc/25/20/79/646252079.db2.gz WBDOKUBWWYZWQN-GARJFASQSA-N 1 2 240.303 -0.436 20 0 BBADLO CN1CC[N@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)CC1=O ZINC000929697210 646252073 /nfs/dbraw/zinc/25/20/73/646252073.db2.gz WBDOKUBWWYZWQN-GARJFASQSA-N 1 2 240.303 -0.436 20 0 BBADLO CN1CC[N@@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CC1=O ZINC000929697211 646253304 /nfs/dbraw/zinc/25/33/04/646253304.db2.gz WBDOKUBWWYZWQN-OUAUKWLOSA-N 1 2 240.303 -0.436 20 0 BBADLO CN1CC[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CC1=O ZINC000929697211 646253302 /nfs/dbraw/zinc/25/33/02/646253302.db2.gz WBDOKUBWWYZWQN-OUAUKWLOSA-N 1 2 240.303 -0.436 20 0 BBADLO 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RLVHDSNAPMXSKR-UTUOFQBUSA-N 1 2 246.351 -0.883 20 0 BBADLO C[C@H](c1ncccn1)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000929769238 646300515 /nfs/dbraw/zinc/30/05/15/646300515.db2.gz PMKCFQCHGAPSKZ-BBBLOLIVSA-N 1 2 223.276 -0.035 20 0 BBADLO C[C@H](c1ncccn1)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000929769238 646300509 /nfs/dbraw/zinc/30/05/09/646300509.db2.gz PMKCFQCHGAPSKZ-BBBLOLIVSA-N 1 2 223.276 -0.035 20 0 BBADLO C[C@@H](c1ncccn1)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000929769239 646299621 /nfs/dbraw/zinc/29/96/21/646299621.db2.gz PMKCFQCHGAPSKZ-LPEHRKFASA-N 1 2 223.276 -0.035 20 0 BBADLO C[C@@H](c1ncccn1)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000929769239 646299619 /nfs/dbraw/zinc/29/96/19/646299619.db2.gz PMKCFQCHGAPSKZ-LPEHRKFASA-N 1 2 223.276 -0.035 20 0 BBADLO Cc1cn(C)nc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000929770429 646299656 /nfs/dbraw/zinc/29/96/56/646299656.db2.gz YLOBEKUJQDNUPA-AOOOYVTPSA-N 1 2 225.292 -0.344 20 0 BBADLO Cc1cn(C)nc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000929770429 646299653 /nfs/dbraw/zinc/29/96/53/646299653.db2.gz YLOBEKUJQDNUPA-AOOOYVTPSA-N 1 2 225.292 -0.344 20 0 BBADLO O=[S@@](CC[N@H+]1C[C@@H](O)[C@@H](O)C1)C(F)(F)F ZINC000929771067 646299305 /nfs/dbraw/zinc/29/93/05/646299305.db2.gz KDOCXYZJGUCWTR-KMRDWBRISA-N 1 2 247.238 -0.708 20 0 BBADLO O=[S@@](CC[N@@H+]1C[C@@H](O)[C@@H](O)C1)C(F)(F)F ZINC000929771067 646299298 /nfs/dbraw/zinc/29/92/98/646299298.db2.gz KDOCXYZJGUCWTR-KMRDWBRISA-N 1 2 247.238 -0.708 20 0 BBADLO O=[S@](CC[N@H+]1C[C@@H](O)[C@@H](O)C1)C(F)(F)F ZINC000929771071 646300834 /nfs/dbraw/zinc/30/08/34/646300834.db2.gz KDOCXYZJGUCWTR-NTXCUKSKSA-N 1 2 247.238 -0.708 20 0 BBADLO O=[S@](CC[N@@H+]1C[C@@H](O)[C@@H](O)C1)C(F)(F)F ZINC000929771071 646300831 /nfs/dbraw/zinc/30/08/31/646300831.db2.gz KDOCXYZJGUCWTR-NTXCUKSKSA-N 1 2 247.238 -0.708 20 0 BBADLO Cc1nnsc1[C@H](C)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000929772853 646300984 /nfs/dbraw/zinc/30/09/84/646300984.db2.gz OSXOOYZFOCGATB-BIIVOSGPSA-N 1 2 229.305 -0.055 20 0 BBADLO Cc1nnsc1[C@H](C)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000929772853 646300978 /nfs/dbraw/zinc/30/09/78/646300978.db2.gz OSXOOYZFOCGATB-BIIVOSGPSA-N 1 2 229.305 -0.055 20 0 BBADLO Cc1nnsc1[C@@H](C)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000929772854 646301335 /nfs/dbraw/zinc/30/13/35/646301335.db2.gz OSXOOYZFOCGATB-PRJMDXOYSA-N 1 2 229.305 -0.055 20 0 BBADLO Cc1nnsc1[C@@H](C)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000929772854 646301331 /nfs/dbraw/zinc/30/13/31/646301331.db2.gz OSXOOYZFOCGATB-PRJMDXOYSA-N 1 2 229.305 -0.055 20 0 BBADLO COCC(COC)[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000929784569 646311554 /nfs/dbraw/zinc/31/15/54/646311554.db2.gz WORAGVPDJIWBDR-UHFFFAOYSA-N 1 2 242.319 -0.046 20 0 BBADLO COCC(COC)[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000929784569 646311547 /nfs/dbraw/zinc/31/15/47/646311547.db2.gz WORAGVPDJIWBDR-UHFFFAOYSA-N 1 2 242.319 -0.046 20 0 BBADLO C[C@@H](O)[C@H](O)C[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000929784839 646311501 /nfs/dbraw/zinc/31/15/01/646311501.db2.gz FEMGEVXEZFZNFI-PSASIEDQSA-N 1 2 228.292 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FEMGEVXEZFZNFI-WPRPVWTQSA-N 1 2 228.292 -0.965 20 0 BBADLO C[C@H](O)[C@@H](O)C[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000929784842 646299501 /nfs/dbraw/zinc/29/95/01/646299501.db2.gz FEMGEVXEZFZNFI-WPRPVWTQSA-N 1 2 228.292 -0.965 20 0 BBADLO CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000929816107 646334118 /nfs/dbraw/zinc/33/41/18/646334118.db2.gz RUZWUKTZTFPFQR-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000929816891 646336419 /nfs/dbraw/zinc/33/64/19/646336419.db2.gz WSRYQGQVUXMJKX-ZJUUUORDSA-N 1 2 228.292 -0.388 20 0 BBADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CO ZINC000929832996 646350229 /nfs/dbraw/zinc/35/02/29/646350229.db2.gz CAJRMMIPEYMFCH-BDAKNGLRSA-N 1 2 219.281 -0.389 20 0 BBADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CO ZINC000929832996 646350223 /nfs/dbraw/zinc/35/02/23/646350223.db2.gz CAJRMMIPEYMFCH-BDAKNGLRSA-N 1 2 219.281 -0.389 20 0 BBADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CO ZINC000929832997 646349508 /nfs/dbraw/zinc/34/95/08/646349508.db2.gz CAJRMMIPEYMFCH-DTWKUNHWSA-N 1 2 219.281 -0.389 20 0 BBADLO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CO ZINC000929832997 646349503 /nfs/dbraw/zinc/34/95/03/646349503.db2.gz CAJRMMIPEYMFCH-DTWKUNHWSA-N 1 2 219.281 -0.389 20 0 BBADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CO ZINC000929832998 646349999 /nfs/dbraw/zinc/34/99/99/646349999.db2.gz CAJRMMIPEYMFCH-IUCAKERBSA-N 1 2 219.281 -0.389 20 0 BBADLO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@H](O)CO ZINC000929832998 646349994 /nfs/dbraw/zinc/34/99/94/646349994.db2.gz CAJRMMIPEYMFCH-IUCAKERBSA-N 1 2 219.281 -0.389 20 0 BBADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CO ZINC000929832999 646348229 /nfs/dbraw/zinc/34/82/29/646348229.db2.gz CAJRMMIPEYMFCH-RKDXNWHRSA-N 1 2 219.281 -0.389 20 0 BBADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CO ZINC000929832999 646348226 /nfs/dbraw/zinc/34/82/26/646348226.db2.gz CAJRMMIPEYMFCH-RKDXNWHRSA-N 1 2 219.281 -0.389 20 0 BBADLO COC(=O)C[N@@H+](C[C@H](O)[C@@H](C)O)C(C)C ZINC000929892254 646368461 /nfs/dbraw/zinc/36/84/61/646368461.db2.gz CRBGYVSDQFUEBM-BDAKNGLRSA-N 1 2 219.281 -0.389 20 0 BBADLO COC(=O)C[N@H+](C[C@H](O)[C@@H](C)O)C(C)C ZINC000929892254 646368457 /nfs/dbraw/zinc/36/84/57/646368457.db2.gz CRBGYVSDQFUEBM-BDAKNGLRSA-N 1 2 219.281 -0.389 20 0 BBADLO COC(=O)C[N@@H+](C[C@@H](O)[C@H](C)O)C(C)C ZINC000929892255 646367555 /nfs/dbraw/zinc/36/75/55/646367555.db2.gz CRBGYVSDQFUEBM-DTWKUNHWSA-N 1 2 219.281 -0.389 20 0 BBADLO COC(=O)C[N@H+](C[C@@H](O)[C@H](C)O)C(C)C ZINC000929892255 646367546 /nfs/dbraw/zinc/36/75/46/646367546.db2.gz CRBGYVSDQFUEBM-DTWKUNHWSA-N 1 2 219.281 -0.389 20 0 BBADLO COC(=O)C[N@@H+](C[C@H](O)[C@H](C)O)C(C)C ZINC000929892256 646367954 /nfs/dbraw/zinc/36/79/54/646367954.db2.gz CRBGYVSDQFUEBM-IUCAKERBSA-N 1 2 219.281 -0.389 20 0 BBADLO COC(=O)C[N@H+](C[C@H](O)[C@H](C)O)C(C)C ZINC000929892256 646367951 /nfs/dbraw/zinc/36/79/51/646367951.db2.gz CRBGYVSDQFUEBM-IUCAKERBSA-N 1 2 219.281 -0.389 20 0 BBADLO COC(=O)C[N@@H+](C[C@@H](O)[C@@H](C)O)C(C)C ZINC000929892257 646368922 /nfs/dbraw/zinc/36/89/22/646368922.db2.gz CRBGYVSDQFUEBM-RKDXNWHRSA-N 1 2 219.281 -0.389 20 0 BBADLO COC(=O)C[N@H+](C[C@@H](O)[C@@H](C)O)C(C)C ZINC000929892257 646368916 /nfs/dbraw/zinc/36/89/16/646368916.db2.gz CRBGYVSDQFUEBM-RKDXNWHRSA-N 1 2 219.281 -0.389 20 0 BBADLO CON1CC[C@@H]([N@H+]2CCC3(C2)OCCO3)C1=O ZINC000929966011 646378947 /nfs/dbraw/zinc/37/89/47/646378947.db2.gz VRMOFCJXJPEUNE-SECBINFHSA-N 1 2 242.275 -0.403 20 0 BBADLO CON1CC[C@@H]([N@@H+]2CCC3(C2)OCCO3)C1=O ZINC000929966011 646378945 /nfs/dbraw/zinc/37/89/45/646378945.db2.gz VRMOFCJXJPEUNE-SECBINFHSA-N 1 2 242.275 -0.403 20 0 BBADLO CON1CC[C@H]([N@H+]2CCC3(C2)OCCO3)C1=O ZINC000929966012 646378256 /nfs/dbraw/zinc/37/82/56/646378256.db2.gz VRMOFCJXJPEUNE-VIFPVBQESA-N 1 2 242.275 -0.403 20 0 BBADLO CON1CC[C@H]([N@@H+]2CCC3(C2)OCCO3)C1=O ZINC000929966012 646378250 /nfs/dbraw/zinc/37/82/50/646378250.db2.gz VRMOFCJXJPEUNE-VIFPVBQESA-N 1 2 242.275 -0.403 20 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LNEOXMVYKUSJFZ-SFYZADRCSA-N 1 2 219.281 -0.389 20 0 BBADLO COC(=O)C(C)(C)[N@@H+](C)C[C@H](O)[C@H](C)O ZINC000929969306 646381048 /nfs/dbraw/zinc/38/10/48/646381048.db2.gz LNEOXMVYKUSJFZ-YUMQZZPRSA-N 1 2 219.281 -0.389 20 0 BBADLO COC(=O)C(C)(C)[N@H+](C)C[C@H](O)[C@H](C)O ZINC000929969306 646381043 /nfs/dbraw/zinc/38/10/43/646381043.db2.gz LNEOXMVYKUSJFZ-YUMQZZPRSA-N 1 2 219.281 -0.389 20 0 BBADLO COC(=O)C(C)(C)[N@@H+](C)C[C@@H](O)CO ZINC000929969542 646381264 /nfs/dbraw/zinc/38/12/64/646381264.db2.gz MNQLMCMIFQGOLM-SSDOTTSWSA-N 1 2 205.254 -0.777 20 0 BBADLO COC(=O)C(C)(C)[N@H+](C)C[C@@H](O)CO ZINC000929969542 646381258 /nfs/dbraw/zinc/38/12/58/646381258.db2.gz MNQLMCMIFQGOLM-SSDOTTSWSA-N 1 2 205.254 -0.777 20 0 BBADLO COC(=O)C(C)(C)[N@@H+](C)C[C@H](O)CO ZINC000929969543 646382342 /nfs/dbraw/zinc/38/23/42/646382342.db2.gz MNQLMCMIFQGOLM-ZETCQYMHSA-N 1 2 205.254 -0.777 20 0 BBADLO COC(=O)C(C)(C)[N@H+](C)C[C@H](O)CO ZINC000929969543 646382337 /nfs/dbraw/zinc/38/23/37/646382337.db2.gz MNQLMCMIFQGOLM-ZETCQYMHSA-N 1 2 205.254 -0.777 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@H](O)[C@H](C)O ZINC000929974008 646383279 /nfs/dbraw/zinc/38/32/79/646383279.db2.gz RIQHYPDDHBUALC-CIUDSAMLSA-N 1 2 219.281 -0.389 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@H](O)[C@H](C)O ZINC000929974008 646383273 /nfs/dbraw/zinc/38/32/73/646383273.db2.gz RIQHYPDDHBUALC-CIUDSAMLSA-N 1 2 219.281 -0.389 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)[C@@H](C)O ZINC000929974009 646381501 /nfs/dbraw/zinc/38/15/01/646381501.db2.gz RIQHYPDDHBUALC-DJLDLDEBSA-N 1 2 219.281 -0.389 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@@H](O)[C@@H](C)O ZINC000929974009 646381494 /nfs/dbraw/zinc/38/14/94/646381494.db2.gz RIQHYPDDHBUALC-DJLDLDEBSA-N 1 2 219.281 -0.389 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)[C@H](C)O ZINC000929974010 646381756 /nfs/dbraw/zinc/38/17/56/646381756.db2.gz RIQHYPDDHBUALC-XHNCKOQMSA-N 1 2 219.281 -0.389 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@@H](O)[C@H](C)O ZINC000929974010 646381749 /nfs/dbraw/zinc/38/17/49/646381749.db2.gz RIQHYPDDHBUALC-XHNCKOQMSA-N 1 2 219.281 -0.389 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@H](O)[C@@H](C)O ZINC000929974011 646383090 /nfs/dbraw/zinc/38/30/90/646383090.db2.gz RIQHYPDDHBUALC-YIZRAAEISA-N 1 2 219.281 -0.389 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@H](O)[C@@H](C)O ZINC000929974011 646383083 /nfs/dbraw/zinc/38/30/83/646383083.db2.gz RIQHYPDDHBUALC-YIZRAAEISA-N 1 2 219.281 -0.389 20 0 BBADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CO ZINC000929974205 646382556 /nfs/dbraw/zinc/38/25/56/646382556.db2.gz XPEZJNIKIMHYDI-JGVFFNPUSA-N 1 2 205.254 -0.777 20 0 BBADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CO ZINC000929974205 646382552 /nfs/dbraw/zinc/38/25/52/646382552.db2.gz XPEZJNIKIMHYDI-JGVFFNPUSA-N 1 2 205.254 -0.777 20 0 BBADLO CC[C@@](C)(O)C(=O)N1CC[NH+](CCO)CC1 ZINC000930040524 646406904 /nfs/dbraw/zinc/40/69/04/646406904.db2.gz IALRETSHXIHWJD-LLVKDONJSA-N 1 2 230.308 -0.716 20 0 BBADLO CC[C@](C)(O)C(=O)N1CC[NH+](CCO)CC1 ZINC000930040525 646407693 /nfs/dbraw/zinc/40/76/93/646407693.db2.gz IALRETSHXIHWJD-NSHDSACASA-N 1 2 230.308 -0.716 20 0 BBADLO CCC[C@H](O)C(=O)N1CC[NH+](CCO)CC1 ZINC000930042077 646409141 /nfs/dbraw/zinc/40/91/41/646409141.db2.gz ZAFDNPNTSWSFFL-JTQLQIEISA-N 1 2 230.308 -0.716 20 0 BBADLO C[C@@H](O)[C@H](O)C[N@H+]1CCc2c[nH]nc2C1 ZINC000930067853 646418215 /nfs/dbraw/zinc/41/82/15/646418215.db2.gz BEGDGJDPBRSHJM-GMSGAONNSA-N 1 2 211.265 -0.491 20 0 BBADLO C[C@@H](O)[C@H](O)C[N@@H+]1CCc2c[nH]nc2C1 ZINC000930067853 646418214 /nfs/dbraw/zinc/41/82/14/646418214.db2.gz BEGDGJDPBRSHJM-GMSGAONNSA-N 1 2 211.265 -0.491 20 0 BBADLO C[C@H](O)[C@H](O)C[N@H+]1CCc2c[nH]nc2C1 ZINC000930067854 646418005 /nfs/dbraw/zinc/41/80/05/646418005.db2.gz BEGDGJDPBRSHJM-OIBJUYFYSA-N 1 2 211.265 -0.491 20 0 BBADLO C[C@H](O)[C@H](O)C[N@@H+]1CCc2c[nH]nc2C1 ZINC000930067854 646418000 /nfs/dbraw/zinc/41/80/00/646418000.db2.gz BEGDGJDPBRSHJM-OIBJUYFYSA-N 1 2 211.265 -0.491 20 0 BBADLO C[C@@H](O)[C@@H](O)C[N@H+]1CCc2c[nH]nc2C1 ZINC000930067855 646417280 /nfs/dbraw/zinc/41/72/80/646417280.db2.gz BEGDGJDPBRSHJM-XCBNKYQSSA-N 1 2 211.265 -0.491 20 0 BBADLO C[C@@H](O)[C@@H](O)C[N@@H+]1CCc2c[nH]nc2C1 ZINC000930067855 646417277 /nfs/dbraw/zinc/41/72/77/646417277.db2.gz BEGDGJDPBRSHJM-XCBNKYQSSA-N 1 2 211.265 -0.491 20 0 BBADLO C[C@H](O)[C@@H](O)C[N@H+]1CCc2c[nH]nc2C1 ZINC000930067856 646416681 /nfs/dbraw/zinc/41/66/81/646416681.db2.gz BEGDGJDPBRSHJM-XVKPBYJWSA-N 1 2 211.265 -0.491 20 0 BBADLO C[C@H](O)[C@@H](O)C[N@@H+]1CCc2c[nH]nc2C1 ZINC000930067856 646416678 /nfs/dbraw/zinc/41/66/78/646416678.db2.gz BEGDGJDPBRSHJM-XVKPBYJWSA-N 1 2 211.265 -0.491 20 0 BBADLO CC[N@@H+](CCS(C)(=O)=O)C[C@H](O)[C@@H](C)O ZINC000930082759 646423435 /nfs/dbraw/zinc/42/34/35/646423435.db2.gz VKXCBTGZSFQRPL-BDAKNGLRSA-N 1 2 239.337 -0.905 20 0 BBADLO CC[N@H+](CCS(C)(=O)=O)C[C@H](O)[C@@H](C)O ZINC000930082759 646423432 /nfs/dbraw/zinc/42/34/32/646423432.db2.gz VKXCBTGZSFQRPL-BDAKNGLRSA-N 1 2 239.337 -0.905 20 0 BBADLO CC[N@@H+](CCS(C)(=O)=O)C[C@@H](O)[C@H](C)O ZINC000930082760 646424128 /nfs/dbraw/zinc/42/41/28/646424128.db2.gz VKXCBTGZSFQRPL-DTWKUNHWSA-N 1 2 239.337 -0.905 20 0 BBADLO CC[N@H+](CCS(C)(=O)=O)C[C@@H](O)[C@H](C)O ZINC000930082760 646424126 /nfs/dbraw/zinc/42/41/26/646424126.db2.gz VKXCBTGZSFQRPL-DTWKUNHWSA-N 1 2 239.337 -0.905 20 0 BBADLO CC[N@@H+](CCS(C)(=O)=O)C[C@H](O)[C@H](C)O ZINC000930082761 646423346 /nfs/dbraw/zinc/42/33/46/646423346.db2.gz VKXCBTGZSFQRPL-IUCAKERBSA-N 1 2 239.337 -0.905 20 0 BBADLO CC[N@H+](CCS(C)(=O)=O)C[C@H](O)[C@H](C)O ZINC000930082761 646423342 /nfs/dbraw/zinc/42/33/42/646423342.db2.gz VKXCBTGZSFQRPL-IUCAKERBSA-N 1 2 239.337 -0.905 20 0 BBADLO CC[N@@H+](CCS(C)(=O)=O)C[C@@H](O)[C@@H](C)O ZINC000930082762 646423920 /nfs/dbraw/zinc/42/39/20/646423920.db2.gz VKXCBTGZSFQRPL-RKDXNWHRSA-N 1 2 239.337 -0.905 20 0 BBADLO CC[N@H+](CCS(C)(=O)=O)C[C@@H](O)[C@@H](C)O ZINC000930082762 646423917 /nfs/dbraw/zinc/42/39/17/646423917.db2.gz VKXCBTGZSFQRPL-RKDXNWHRSA-N 1 2 239.337 -0.905 20 0 BBADLO CC(C)[N@@H+](CCS(C)(=O)=O)C[C@@H](O)CO ZINC000930086354 646425317 /nfs/dbraw/zinc/42/53/17/646425317.db2.gz KIPWZDPBNKJWKD-SECBINFHSA-N 1 2 239.337 -0.905 20 0 BBADLO CC(C)[N@H+](CCS(C)(=O)=O)C[C@@H](O)CO ZINC000930086354 646425315 /nfs/dbraw/zinc/42/53/15/646425315.db2.gz KIPWZDPBNKJWKD-SECBINFHSA-N 1 2 239.337 -0.905 20 0 BBADLO CC(C)[N@@H+](CCS(C)(=O)=O)C[C@H](O)CO ZINC000930086355 646426485 /nfs/dbraw/zinc/42/64/85/646426485.db2.gz KIPWZDPBNKJWKD-VIFPVBQESA-N 1 2 239.337 -0.905 20 0 BBADLO CC(C)[N@H+](CCS(C)(=O)=O)C[C@H](O)CO ZINC000930086355 646426479 /nfs/dbraw/zinc/42/64/79/646426479.db2.gz KIPWZDPBNKJWKD-VIFPVBQESA-N 1 2 239.337 -0.905 20 0 BBADLO COC/C(C)=C\C[NH+]1CCN(C(=O)CO)CC1 ZINC000930103019 646437539 /nfs/dbraw/zinc/43/75/39/646437539.db2.gz LVYQQVVNMMBCKE-JYOAFUTRSA-N 1 2 242.319 -0.284 20 0 BBADLO COC/C(C)=C/C[NH+]1CCN(C(=O)CO)CC1 ZINC000930103020 646436146 /nfs/dbraw/zinc/43/61/46/646436146.db2.gz LVYQQVVNMMBCKE-QDEBKDIKSA-N 1 2 242.319 -0.284 20 0 BBADLO Cc1cn(C)nc1C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000930133516 646453651 /nfs/dbraw/zinc/45/36/51/646453651.db2.gz JPQSKUHKAVKROU-SECBINFHSA-N 1 2 237.307 -0.029 20 0 BBADLO Cc1cn(C)nc1C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000930133516 646453645 /nfs/dbraw/zinc/45/36/45/646453645.db2.gz JPQSKUHKAVKROU-SECBINFHSA-N 1 2 237.307 -0.029 20 0 BBADLO Cc1cn(C)nc1C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000930133518 646454186 /nfs/dbraw/zinc/45/41/86/646454186.db2.gz JPQSKUHKAVKROU-VIFPVBQESA-N 1 2 237.307 -0.029 20 0 BBADLO Cc1cn(C)nc1C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000930133518 646454183 /nfs/dbraw/zinc/45/41/83/646454183.db2.gz JPQSKUHKAVKROU-VIFPVBQESA-N 1 2 237.307 -0.029 20 0 BBADLO NC(=O)[C@@H]1CSCC[N@H+]1C[C@@H]1COCCO1 ZINC000930141620 646453827 /nfs/dbraw/zinc/45/38/27/646453827.db2.gz AXRPYFIMZMEAMQ-BDAKNGLRSA-N 1 2 246.332 -0.696 20 0 BBADLO NC(=O)[C@@H]1CSCC[N@@H+]1C[C@@H]1COCCO1 ZINC000930141620 646453822 /nfs/dbraw/zinc/45/38/22/646453822.db2.gz AXRPYFIMZMEAMQ-BDAKNGLRSA-N 1 2 246.332 -0.696 20 0 BBADLO NC(=O)[C@H]1CSCC[N@H+]1C[C@H]1COCCO1 ZINC000930141622 646455314 /nfs/dbraw/zinc/45/53/14/646455314.db2.gz AXRPYFIMZMEAMQ-DTWKUNHWSA-N 1 2 246.332 -0.696 20 0 BBADLO NC(=O)[C@H]1CSCC[N@@H+]1C[C@H]1COCCO1 ZINC000930141622 646455311 /nfs/dbraw/zinc/45/53/11/646455311.db2.gz AXRPYFIMZMEAMQ-DTWKUNHWSA-N 1 2 246.332 -0.696 20 0 BBADLO NC(=O)[C@@H]1CSCC[N@H+]1C[C@H]1COCCO1 ZINC000930141623 646454363 /nfs/dbraw/zinc/45/43/63/646454363.db2.gz AXRPYFIMZMEAMQ-IUCAKERBSA-N 1 2 246.332 -0.696 20 0 BBADLO NC(=O)[C@@H]1CSCC[N@@H+]1C[C@H]1COCCO1 ZINC000930141623 646454357 /nfs/dbraw/zinc/45/43/57/646454357.db2.gz AXRPYFIMZMEAMQ-IUCAKERBSA-N 1 2 246.332 -0.696 20 0 BBADLO NC(=O)[C@H]1CSCC[N@H+]1C[C@@H]1COCCO1 ZINC000930141624 646454158 /nfs/dbraw/zinc/45/41/58/646454158.db2.gz AXRPYFIMZMEAMQ-RKDXNWHRSA-N 1 2 246.332 -0.696 20 0 BBADLO NC(=O)[C@H]1CSCC[N@@H+]1C[C@@H]1COCCO1 ZINC000930141624 646454154 /nfs/dbraw/zinc/45/41/54/646454154.db2.gz AXRPYFIMZMEAMQ-RKDXNWHRSA-N 1 2 246.332 -0.696 20 0 BBADLO C[C@H](O)C(=O)N1CC[NH+](CCOC2CC2)CC1 ZINC000930142107 646456618 /nfs/dbraw/zinc/45/66/18/646456618.db2.gz FWKQRVLQBAOHQJ-JTQLQIEISA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@@H](O)C(=O)N1CC[NH+](CCOC2CC2)CC1 ZINC000930142108 646457253 /nfs/dbraw/zinc/45/72/53/646457253.db2.gz FWKQRVLQBAOHQJ-SNVBAGLBSA-N 1 2 242.319 -0.310 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)Nc2cccnn2)C[C@@H]1O ZINC000930160470 646465346 /nfs/dbraw/zinc/46/53/46/646465346.db2.gz PXGGNTUQPPBNKG-BDAKNGLRSA-N 1 2 236.275 -0.272 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)Nc2cccnn2)C[C@@H]1O ZINC000930160470 646465342 /nfs/dbraw/zinc/46/53/42/646465342.db2.gz PXGGNTUQPPBNKG-BDAKNGLRSA-N 1 2 236.275 -0.272 20 0 BBADLO C[C@H]1C[N@@H+](CC(=O)Nc2cccnn2)C[C@H]1O ZINC000930160471 646464735 /nfs/dbraw/zinc/46/47/35/646464735.db2.gz PXGGNTUQPPBNKG-DTWKUNHWSA-N 1 2 236.275 -0.272 20 0 BBADLO C[C@H]1C[N@H+](CC(=O)Nc2cccnn2)C[C@H]1O ZINC000930160471 646464729 /nfs/dbraw/zinc/46/47/29/646464729.db2.gz PXGGNTUQPPBNKG-DTWKUNHWSA-N 1 2 236.275 -0.272 20 0 BBADLO C[C@H]1C[N@@H+](CC(=O)Nc2cccnn2)C[C@@H]1O ZINC000930160472 646464327 /nfs/dbraw/zinc/46/43/27/646464327.db2.gz PXGGNTUQPPBNKG-IUCAKERBSA-N 1 2 236.275 -0.272 20 0 BBADLO C[C@H]1C[N@H+](CC(=O)Nc2cccnn2)C[C@@H]1O ZINC000930160472 646464323 /nfs/dbraw/zinc/46/43/23/646464323.db2.gz PXGGNTUQPPBNKG-IUCAKERBSA-N 1 2 236.275 -0.272 20 0 BBADLO C[C@@H]1C[N@@H+](CC(=O)Nc2cccnn2)C[C@H]1O ZINC000930160473 646464863 /nfs/dbraw/zinc/46/48/63/646464863.db2.gz PXGGNTUQPPBNKG-RKDXNWHRSA-N 1 2 236.275 -0.272 20 0 BBADLO C[C@@H]1C[N@H+](CC(=O)Nc2cccnn2)C[C@H]1O ZINC000930160473 646464861 /nfs/dbraw/zinc/46/48/61/646464861.db2.gz PXGGNTUQPPBNKG-RKDXNWHRSA-N 1 2 236.275 -0.272 20 0 BBADLO CC[C@@H](CO)[N@H+]1CCN(CCOC)C(=O)C1 ZINC000930164017 646470551 /nfs/dbraw/zinc/47/05/51/646470551.db2.gz UVRQVPQBZIGEEH-JTQLQIEISA-N 1 2 230.308 -0.452 20 0 BBADLO CC[C@@H](CO)[N@@H+]1CCN(CCOC)C(=O)C1 ZINC000930164017 646470549 /nfs/dbraw/zinc/47/05/49/646470549.db2.gz UVRQVPQBZIGEEH-JTQLQIEISA-N 1 2 230.308 -0.452 20 0 BBADLO CC[C@H](CO)[N@H+]1CCN(CCOC)C(=O)C1 ZINC000930164018 646469935 /nfs/dbraw/zinc/46/99/35/646469935.db2.gz UVRQVPQBZIGEEH-SNVBAGLBSA-N 1 2 230.308 -0.452 20 0 BBADLO CC[C@H](CO)[N@@H+]1CCN(CCOC)C(=O)C1 ZINC000930164018 646469929 /nfs/dbraw/zinc/46/99/29/646469929.db2.gz UVRQVPQBZIGEEH-SNVBAGLBSA-N 1 2 230.308 -0.452 20 0 BBADLO CCn1cc(C(=O)NCCn2cc[nH+]c2)nn1 ZINC000930221236 639640673 /nfs/dbraw/zinc/64/06/73/639640673.db2.gz HVZFSWXMBHVMMT-UHFFFAOYSA-N 1 2 234.263 -0.076 20 0 BBADLO C[C@@H]1OCCO[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000930222774 639640179 /nfs/dbraw/zinc/64/01/79/639640179.db2.gz SFPZXCKSAITQRM-UWVGGRQHSA-N 1 2 239.275 -0.197 20 0 BBADLO O=C(C[N@@H+]1C[C@@H]2C[C@]2(CO)C1)Nc1cccnn1 ZINC000930252623 639662094 /nfs/dbraw/zinc/66/20/94/639662094.db2.gz ZYWMLTZWXODDKO-JOYOIKCWSA-N 1 2 248.286 -0.271 20 0 BBADLO O=C(C[N@H+]1C[C@@H]2C[C@]2(CO)C1)Nc1cccnn1 ZINC000930252623 639662090 /nfs/dbraw/zinc/66/20/90/639662090.db2.gz ZYWMLTZWXODDKO-JOYOIKCWSA-N 1 2 248.286 -0.271 20 0 BBADLO O=C(C[N@@H+]1C[C@H]2C[C@@]2(CO)C1)Nc1cccnn1 ZINC000930252624 712616068 /nfs/dbraw/zinc/61/60/68/712616068.db2.gz ZYWMLTZWXODDKO-SKDRFNHKSA-N 1 2 248.286 -0.271 20 0 BBADLO O=C(C[N@H+]1C[C@H]2C[C@@]2(CO)C1)Nc1cccnn1 ZINC000930252624 712616067 /nfs/dbraw/zinc/61/60/67/712616067.db2.gz ZYWMLTZWXODDKO-SKDRFNHKSA-N 1 2 248.286 -0.271 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)[C@@H](C)O ZINC000930286941 639680149 /nfs/dbraw/zinc/68/01/49/639680149.db2.gz DSDAMLLMEBAARI-BWZBUEFSSA-N 1 2 205.254 -0.779 20 0 BBADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)[C@@H](C)O ZINC000930286941 639680146 /nfs/dbraw/zinc/68/01/46/639680146.db2.gz DSDAMLLMEBAARI-BWZBUEFSSA-N 1 2 205.254 -0.779 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)[C@H](C)O ZINC000930286943 639677626 /nfs/dbraw/zinc/67/76/26/639677626.db2.gz DSDAMLLMEBAARI-CSMHCCOUSA-N 1 2 205.254 -0.779 20 0 BBADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H](O)[C@H](C)O ZINC000930286943 639677616 /nfs/dbraw/zinc/67/76/16/639677616.db2.gz DSDAMLLMEBAARI-CSMHCCOUSA-N 1 2 205.254 -0.779 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)[C@H](C)O ZINC000930286947 639678790 /nfs/dbraw/zinc/67/87/90/639678790.db2.gz DSDAMLLMEBAARI-GJMOJQLCSA-N 1 2 205.254 -0.779 20 0 BBADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)[C@H](C)O ZINC000930286947 639678785 /nfs/dbraw/zinc/67/87/85/639678785.db2.gz DSDAMLLMEBAARI-GJMOJQLCSA-N 1 2 205.254 -0.779 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)[C@@H](C)O ZINC000930286952 639679906 /nfs/dbraw/zinc/67/99/06/639679906.db2.gz DSDAMLLMEBAARI-PRJMDXOYSA-N 1 2 205.254 -0.779 20 0 BBADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H](O)[C@@H](C)O ZINC000930286952 639679901 /nfs/dbraw/zinc/67/99/01/639679901.db2.gz DSDAMLLMEBAARI-PRJMDXOYSA-N 1 2 205.254 -0.779 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C1(O)CCC1 ZINC000930287719 645754760 /nfs/dbraw/zinc/75/47/60/645754760.db2.gz OBTQKYZJXNXXAR-BDAKNGLRSA-N 1 2 231.292 -0.244 20 0 BBADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C1(O)CCC1 ZINC000930287719 645754757 /nfs/dbraw/zinc/75/47/57/645754757.db2.gz OBTQKYZJXNXXAR-BDAKNGLRSA-N 1 2 231.292 -0.244 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C1(O)CCC1 ZINC000930287721 645754749 /nfs/dbraw/zinc/75/47/49/645754749.db2.gz OBTQKYZJXNXXAR-RKDXNWHRSA-N 1 2 231.292 -0.244 20 0 BBADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C1(O)CCC1 ZINC000930287721 645754744 /nfs/dbraw/zinc/75/47/44/645754744.db2.gz OBTQKYZJXNXXAR-RKDXNWHRSA-N 1 2 231.292 -0.244 20 0 BBADLO C([C@@H]1COCCO1)[N@H+]1CCOC[C@@]12CCOC2 ZINC000930323049 639706503 /nfs/dbraw/zinc/70/65/03/639706503.db2.gz DEIBJLQTWFBILS-NEPJUHHUSA-N 1 2 243.303 -0.107 20 0 BBADLO C([C@@H]1COCCO1)[N@@H+]1CCOC[C@@]12CCOC2 ZINC000930323049 639706467 /nfs/dbraw/zinc/70/64/67/639706467.db2.gz DEIBJLQTWFBILS-NEPJUHHUSA-N 1 2 243.303 -0.107 20 0 BBADLO C([C@H]1COCCO1)[N@H+]1CCOC[C@]12CCOC2 ZINC000930323052 639704228 /nfs/dbraw/zinc/70/42/28/639704228.db2.gz DEIBJLQTWFBILS-NWDGAFQWSA-N 1 2 243.303 -0.107 20 0 BBADLO C([C@H]1COCCO1)[N@@H+]1CCOC[C@]12CCOC2 ZINC000930323052 639704224 /nfs/dbraw/zinc/70/42/24/639704224.db2.gz DEIBJLQTWFBILS-NWDGAFQWSA-N 1 2 243.303 -0.107 20 0 BBADLO C([C@H]1COCCO1)[N@H+]1CCOC[C@@]12CCOC2 ZINC000930323054 639705955 /nfs/dbraw/zinc/70/59/55/639705955.db2.gz DEIBJLQTWFBILS-RYUDHWBXSA-N 1 2 243.303 -0.107 20 0 BBADLO C([C@H]1COCCO1)[N@@H+]1CCOC[C@@]12CCOC2 ZINC000930323054 639705948 /nfs/dbraw/zinc/70/59/48/639705948.db2.gz DEIBJLQTWFBILS-RYUDHWBXSA-N 1 2 243.303 -0.107 20 0 BBADLO C([C@@H]1COCCO1)[N@H+]1CCOC[C@]12CCOC2 ZINC000930323056 639704772 /nfs/dbraw/zinc/70/47/72/639704772.db2.gz DEIBJLQTWFBILS-VXGBXAGGSA-N 1 2 243.303 -0.107 20 0 BBADLO C([C@@H]1COCCO1)[N@@H+]1CCOC[C@]12CCOC2 ZINC000930323056 639704754 /nfs/dbraw/zinc/70/47/54/639704754.db2.gz DEIBJLQTWFBILS-VXGBXAGGSA-N 1 2 243.303 -0.107 20 0 BBADLO C[C@H](O)[C@@H](O)C[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000930344580 639716933 /nfs/dbraw/zinc/71/69/33/639716933.db2.gz YAWUHWIMHRJNBR-BIIVOSGPSA-N 1 2 225.235 -0.306 20 0 BBADLO C[C@H](O)[C@@H](O)C[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000930344580 639716927 /nfs/dbraw/zinc/71/69/27/639716927.db2.gz YAWUHWIMHRJNBR-BIIVOSGPSA-N 1 2 225.235 -0.306 20 0 BBADLO C[C@H](O)[C@@H](O)C[N@H+]1CCO[C@H](C(F)F)C1 ZINC000930344581 639715936 /nfs/dbraw/zinc/71/59/36/639715936.db2.gz YAWUHWIMHRJNBR-FXQIFTODSA-N 1 2 225.235 -0.306 20 0 BBADLO C[C@H](O)[C@@H](O)C[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000930344581 639715933 /nfs/dbraw/zinc/71/59/33/639715933.db2.gz YAWUHWIMHRJNBR-FXQIFTODSA-N 1 2 225.235 -0.306 20 0 BBADLO C[C@H](O)[C@H](O)C[N@H+]1CCO[C@H](C(F)F)C1 ZINC000930344582 639715121 /nfs/dbraw/zinc/71/51/21/639715121.db2.gz YAWUHWIMHRJNBR-RNJXMRFFSA-N 1 2 225.235 -0.306 20 0 BBADLO C[C@H](O)[C@H](O)C[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000930344582 639715116 /nfs/dbraw/zinc/71/51/16/639715116.db2.gz YAWUHWIMHRJNBR-RNJXMRFFSA-N 1 2 225.235 -0.306 20 0 BBADLO C[C@H](O)[C@H](O)C[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000930344583 639716098 /nfs/dbraw/zinc/71/60/98/639716098.db2.gz YAWUHWIMHRJNBR-XLPZGREQSA-N 1 2 225.235 -0.306 20 0 BBADLO C[C@H](O)[C@H](O)C[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000930344583 639716093 /nfs/dbraw/zinc/71/60/93/639716093.db2.gz YAWUHWIMHRJNBR-XLPZGREQSA-N 1 2 225.235 -0.306 20 0 BBADLO CC[C@@H]1C[N@@H+](C[C@H](O)[C@H](C)O)C[C@@H](C)[S@]1=O ZINC000930454254 639758781 /nfs/dbraw/zinc/75/87/81/639758781.db2.gz FQSQDBVBYZMTBG-HUIIYOPSSA-N 1 2 249.376 -0.041 20 0 BBADLO CC[C@@H]1C[N@H+](C[C@H](O)[C@H](C)O)C[C@@H](C)[S@]1=O ZINC000930454254 639758779 /nfs/dbraw/zinc/75/87/79/639758779.db2.gz FQSQDBVBYZMTBG-HUIIYOPSSA-N 1 2 249.376 -0.041 20 0 BBADLO CC[C@@H]1C[N@@H+](C[C@H](O)[C@H](C)O)C[C@@H](C)[S@@]1=O ZINC000930454255 639757911 /nfs/dbraw/zinc/75/79/11/639757911.db2.gz FQSQDBVBYZMTBG-CIZKAMKNSA-N 1 2 249.376 -0.041 20 0 BBADLO CC[C@@H]1C[N@H+](C[C@H](O)[C@H](C)O)C[C@@H](C)[S@@]1=O ZINC000930454255 639757904 /nfs/dbraw/zinc/75/79/04/639757904.db2.gz FQSQDBVBYZMTBG-CIZKAMKNSA-N 1 2 249.376 -0.041 20 0 BBADLO CC[C@@H]1C[N@@H+](C[C@H](O)[C@H](C)O)C[C@H](C)[S@]1=O ZINC000930454256 639758684 /nfs/dbraw/zinc/75/86/84/639758684.db2.gz FQSQDBVBYZMTBG-UNWZYDMLSA-N 1 2 249.376 -0.041 20 0 BBADLO CC[C@@H]1C[N@H+](C[C@H](O)[C@H](C)O)C[C@H](C)[S@]1=O ZINC000930454256 639758677 /nfs/dbraw/zinc/75/86/77/639758677.db2.gz FQSQDBVBYZMTBG-UNWZYDMLSA-N 1 2 249.376 -0.041 20 0 BBADLO CC[C@@H]1C[N@@H+](C[C@H](O)[C@H](C)O)C[C@H](C)[S@@]1=O ZINC000930454257 639759649 /nfs/dbraw/zinc/75/96/49/639759649.db2.gz FQSQDBVBYZMTBG-IRJBPHRDSA-N 1 2 249.376 -0.041 20 0 BBADLO CC[C@@H]1C[N@H+](C[C@H](O)[C@H](C)O)C[C@H](C)[S@@]1=O ZINC000930454257 639759641 /nfs/dbraw/zinc/75/96/41/639759641.db2.gz FQSQDBVBYZMTBG-IRJBPHRDSA-N 1 2 249.376 -0.041 20 0 BBADLO CC[C@@H]1C[N@@H+](C[C@H](O)CO)C[C@H](C)[S@]1=O ZINC000930455694 639759496 /nfs/dbraw/zinc/75/94/96/639759496.db2.gz RMYPERXTDMSAGF-SPTRTOBYSA-N 1 2 235.349 -0.429 20 0 BBADLO CC[C@@H]1C[N@H+](C[C@H](O)CO)C[C@H](C)[S@]1=O ZINC000930455694 639759492 /nfs/dbraw/zinc/75/94/92/639759492.db2.gz RMYPERXTDMSAGF-SPTRTOBYSA-N 1 2 235.349 -0.429 20 0 BBADLO CC[C@@H]1C[N@@H+](C[C@H](O)CO)C[C@@H](C)[S@@]1=O ZINC000930455695 639757356 /nfs/dbraw/zinc/75/73/56/639757356.db2.gz RMYPERXTDMSAGF-VGAUDOQQSA-N 1 2 235.349 -0.429 20 0 BBADLO CC[C@@H]1C[N@H+](C[C@H](O)CO)C[C@@H](C)[S@@]1=O ZINC000930455695 639757353 /nfs/dbraw/zinc/75/73/53/639757353.db2.gz RMYPERXTDMSAGF-VGAUDOQQSA-N 1 2 235.349 -0.429 20 0 BBADLO CC[C@@H]1C[N@@H+](C[C@@H](O)CO)C[C@H](C)[S@]1=O ZINC000930455696 639758145 /nfs/dbraw/zinc/75/81/45/639758145.db2.gz RMYPERXTDMSAGF-SQAHSGDDSA-N 1 2 235.349 -0.429 20 0 BBADLO CC[C@@H]1C[N@H+](C[C@@H](O)CO)C[C@H](C)[S@]1=O ZINC000930455696 639758137 /nfs/dbraw/zinc/75/81/37/639758137.db2.gz RMYPERXTDMSAGF-SQAHSGDDSA-N 1 2 235.349 -0.429 20 0 BBADLO CC[C@@H]1C[N@@H+](C[C@@H](O)CO)C[C@@H](C)[S@@]1=O ZINC000930455697 639760325 /nfs/dbraw/zinc/76/03/25/639760325.db2.gz RMYPERXTDMSAGF-MSFDSXBXSA-N 1 2 235.349 -0.429 20 0 BBADLO CC[C@@H]1C[N@H+](C[C@@H](O)CO)C[C@@H](C)[S@@]1=O ZINC000930455697 639760320 /nfs/dbraw/zinc/76/03/20/639760320.db2.gz RMYPERXTDMSAGF-MSFDSXBXSA-N 1 2 235.349 -0.429 20 0 BBADLO CC[C@@H]1C[N@@H+](C[C@@H](O)CO)C[C@@H](C)[S@]1=O ZINC000930455698 639755550 /nfs/dbraw/zinc/75/55/50/639755550.db2.gz RMYPERXTDMSAGF-JLMZIUSGSA-N 1 2 235.349 -0.429 20 0 BBADLO CC[C@@H]1C[N@H+](C[C@@H](O)CO)C[C@@H](C)[S@]1=O ZINC000930455698 639755545 /nfs/dbraw/zinc/75/55/45/639755545.db2.gz RMYPERXTDMSAGF-JLMZIUSGSA-N 1 2 235.349 -0.429 20 0 BBADLO CC[C@@H]1C[N@@H+](C[C@H](O)CO)C[C@H](C)[S@@]1=O ZINC000930455699 639756852 /nfs/dbraw/zinc/75/68/52/639756852.db2.gz RMYPERXTDMSAGF-AMDHYVTDSA-N 1 2 235.349 -0.429 20 0 BBADLO CC[C@@H]1C[N@H+](C[C@H](O)CO)C[C@H](C)[S@@]1=O ZINC000930455699 639756848 /nfs/dbraw/zinc/75/68/48/639756848.db2.gz RMYPERXTDMSAGF-AMDHYVTDSA-N 1 2 235.349 -0.429 20 0 BBADLO CC[C@@H]1C[N@@H+](C[C@@H](O)CO)C[C@H](C)[S@@]1=O ZINC000930455700 639756627 /nfs/dbraw/zinc/75/66/27/639756627.db2.gz RMYPERXTDMSAGF-FHTCGPRVSA-N 1 2 235.349 -0.429 20 0 BBADLO CC[C@@H]1C[N@H+](C[C@@H](O)CO)C[C@H](C)[S@@]1=O ZINC000930455700 639756620 /nfs/dbraw/zinc/75/66/20/639756620.db2.gz RMYPERXTDMSAGF-FHTCGPRVSA-N 1 2 235.349 -0.429 20 0 BBADLO CC[C@@H]1C[N@@H+](C[C@H](O)CO)C[C@@H](C)[S@]1=O ZINC000930455901 639755887 /nfs/dbraw/zinc/75/58/87/639755887.db2.gz RMYPERXTDMSAGF-DRNSDYETSA-N 1 2 235.349 -0.429 20 0 BBADLO CC[C@@H]1C[N@H+](C[C@H](O)CO)C[C@@H](C)[S@]1=O ZINC000930455901 639755882 /nfs/dbraw/zinc/75/58/82/639755882.db2.gz RMYPERXTDMSAGF-DRNSDYETSA-N 1 2 235.349 -0.429 20 0 BBADLO OC[C@H](O)C[N@H+]1CCOC[C@H]1CC(F)F ZINC000930470020 639766951 /nfs/dbraw/zinc/76/69/51/639766951.db2.gz RSEMDXZDUQASHI-HTQZYQBOSA-N 1 2 225.235 -0.304 20 0 BBADLO OC[C@H](O)C[N@@H+]1CCOC[C@H]1CC(F)F ZINC000930470020 639766946 /nfs/dbraw/zinc/76/69/46/639766946.db2.gz RSEMDXZDUQASHI-HTQZYQBOSA-N 1 2 225.235 -0.304 20 0 BBADLO OC[C@H](O)C[N@H+]1CCOC[C@@H]1CC(F)F ZINC000930470021 639768628 /nfs/dbraw/zinc/76/86/28/639768628.db2.gz RSEMDXZDUQASHI-JGVFFNPUSA-N 1 2 225.235 -0.304 20 0 BBADLO OC[C@H](O)C[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000930470021 639768625 /nfs/dbraw/zinc/76/86/25/639768625.db2.gz RSEMDXZDUQASHI-JGVFFNPUSA-N 1 2 225.235 -0.304 20 0 BBADLO OC[C@@H](O)C[N@H+]1CCOC[C@H]1CC(F)F ZINC000930470022 639769318 /nfs/dbraw/zinc/76/93/18/639769318.db2.gz RSEMDXZDUQASHI-SFYZADRCSA-N 1 2 225.235 -0.304 20 0 BBADLO OC[C@@H](O)C[N@@H+]1CCOC[C@H]1CC(F)F ZINC000930470022 639769309 /nfs/dbraw/zinc/76/93/09/639769309.db2.gz RSEMDXZDUQASHI-SFYZADRCSA-N 1 2 225.235 -0.304 20 0 BBADLO OC[C@@H](O)C[N@H+]1CCOC[C@@H]1CC(F)F ZINC000930470023 639767706 /nfs/dbraw/zinc/76/77/06/639767706.db2.gz RSEMDXZDUQASHI-YUMQZZPRSA-N 1 2 225.235 -0.304 20 0 BBADLO OC[C@@H](O)C[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000930470023 639767701 /nfs/dbraw/zinc/76/77/01/639767701.db2.gz RSEMDXZDUQASHI-YUMQZZPRSA-N 1 2 225.235 -0.304 20 0 BBADLO Cc1noc([C@@H]2CCC[N@H+]2C[C@@H](O)CO)n1 ZINC000930476804 639774846 /nfs/dbraw/zinc/77/48/46/639774846.db2.gz VSNGEGUONOTPMC-BDAKNGLRSA-N 1 2 227.264 -0.132 20 0 BBADLO Cc1noc([C@@H]2CCC[N@@H+]2C[C@@H](O)CO)n1 ZINC000930476804 639774841 /nfs/dbraw/zinc/77/48/41/639774841.db2.gz VSNGEGUONOTPMC-BDAKNGLRSA-N 1 2 227.264 -0.132 20 0 BBADLO Cc1noc([C@H]2CCC[N@H+]2C[C@H](O)CO)n1 ZINC000930476805 639776749 /nfs/dbraw/zinc/77/67/49/639776749.db2.gz VSNGEGUONOTPMC-DTWKUNHWSA-N 1 2 227.264 -0.132 20 0 BBADLO Cc1noc([C@H]2CCC[N@@H+]2C[C@H](O)CO)n1 ZINC000930476805 639776743 /nfs/dbraw/zinc/77/67/43/639776743.db2.gz VSNGEGUONOTPMC-DTWKUNHWSA-N 1 2 227.264 -0.132 20 0 BBADLO Cc1noc([C@@H]2CCC[N@H+]2C[C@H](O)CO)n1 ZINC000930476806 639776196 /nfs/dbraw/zinc/77/61/96/639776196.db2.gz VSNGEGUONOTPMC-IUCAKERBSA-N 1 2 227.264 -0.132 20 0 BBADLO Cc1noc([C@@H]2CCC[N@@H+]2C[C@H](O)CO)n1 ZINC000930476806 639776192 /nfs/dbraw/zinc/77/61/92/639776192.db2.gz VSNGEGUONOTPMC-IUCAKERBSA-N 1 2 227.264 -0.132 20 0 BBADLO Cc1noc([C@H]2CCC[N@H+]2C[C@@H](O)CO)n1 ZINC000930476807 639774025 /nfs/dbraw/zinc/77/40/25/639774025.db2.gz VSNGEGUONOTPMC-RKDXNWHRSA-N 1 2 227.264 -0.132 20 0 BBADLO Cc1noc([C@H]2CCC[N@@H+]2C[C@@H](O)CO)n1 ZINC000930476807 639774018 /nfs/dbraw/zinc/77/40/18/639774018.db2.gz VSNGEGUONOTPMC-RKDXNWHRSA-N 1 2 227.264 -0.132 20 0 BBADLO C[C@H](O)[C@@H](O)C[N@@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000930561552 639811407 /nfs/dbraw/zinc/81/14/07/639811407.db2.gz GYRBUIVCCXSVIH-CIUDSAMLSA-N 1 2 231.292 -0.246 20 0 BBADLO C[C@H](O)[C@@H](O)C[N@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000930561552 639811406 /nfs/dbraw/zinc/81/14/06/639811406.db2.gz GYRBUIVCCXSVIH-CIUDSAMLSA-N 1 2 231.292 -0.246 20 0 BBADLO C[C@H](O)[C@H](O)C[N@@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000930561553 639811629 /nfs/dbraw/zinc/81/16/29/639811629.db2.gz GYRBUIVCCXSVIH-DJLDLDEBSA-N 1 2 231.292 -0.246 20 0 BBADLO C[C@H](O)[C@H](O)C[N@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000930561553 639811628 /nfs/dbraw/zinc/81/16/28/639811628.db2.gz GYRBUIVCCXSVIH-DJLDLDEBSA-N 1 2 231.292 -0.246 20 0 BBADLO C[C@H](O)[C@H](O)C[N@@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000930561554 639811671 /nfs/dbraw/zinc/81/16/71/639811671.db2.gz GYRBUIVCCXSVIH-XHNCKOQMSA-N 1 2 231.292 -0.246 20 0 BBADLO C[C@H](O)[C@H](O)C[N@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000930561554 639811670 /nfs/dbraw/zinc/81/16/70/639811670.db2.gz GYRBUIVCCXSVIH-XHNCKOQMSA-N 1 2 231.292 -0.246 20 0 BBADLO C[C@H](O)[C@@H](O)C[N@@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000930561555 639811399 /nfs/dbraw/zinc/81/13/99/639811399.db2.gz GYRBUIVCCXSVIH-YIZRAAEISA-N 1 2 231.292 -0.246 20 0 BBADLO C[C@H](O)[C@@H](O)C[N@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000930561555 639811398 /nfs/dbraw/zinc/81/13/98/639811398.db2.gz GYRBUIVCCXSVIH-YIZRAAEISA-N 1 2 231.292 -0.246 20 0 BBADLO C[N@@H+](C[C@@H](O)CO)[C@@H]1CC(C)(C)OC1=O ZINC000930563192 639811425 /nfs/dbraw/zinc/81/14/25/639811425.db2.gz VHHGMVUOMQBWJX-HTQZYQBOSA-N 1 2 217.265 -0.635 20 0 BBADLO C[N@H+](C[C@@H](O)CO)[C@@H]1CC(C)(C)OC1=O ZINC000930563192 639811424 /nfs/dbraw/zinc/81/14/24/639811424.db2.gz VHHGMVUOMQBWJX-HTQZYQBOSA-N 1 2 217.265 -0.635 20 0 BBADLO C[N@@H+](C[C@H](O)CO)[C@@H]1CC(C)(C)OC1=O ZINC000930563193 639811610 /nfs/dbraw/zinc/81/16/10/639811610.db2.gz VHHGMVUOMQBWJX-JGVFFNPUSA-N 1 2 217.265 -0.635 20 0 BBADLO C[N@H+](C[C@H](O)CO)[C@@H]1CC(C)(C)OC1=O ZINC000930563193 639811609 /nfs/dbraw/zinc/81/16/09/639811609.db2.gz VHHGMVUOMQBWJX-JGVFFNPUSA-N 1 2 217.265 -0.635 20 0 BBADLO C[N@@H+](C[C@@H](O)CO)[C@H]1CC(C)(C)OC1=O ZINC000930563194 639811697 /nfs/dbraw/zinc/81/16/97/639811697.db2.gz VHHGMVUOMQBWJX-SFYZADRCSA-N 1 2 217.265 -0.635 20 0 BBADLO C[N@H+](C[C@@H](O)CO)[C@H]1CC(C)(C)OC1=O ZINC000930563194 639811696 /nfs/dbraw/zinc/81/16/96/639811696.db2.gz VHHGMVUOMQBWJX-SFYZADRCSA-N 1 2 217.265 -0.635 20 0 BBADLO C[N@@H+](C[C@H](O)CO)[C@H]1CC(C)(C)OC1=O ZINC000930563195 639811354 /nfs/dbraw/zinc/81/13/54/639811354.db2.gz VHHGMVUOMQBWJX-YUMQZZPRSA-N 1 2 217.265 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BBADLO C[N@H+](CC(=O)NC(N)=O)Cc1ccccn1 ZINC000930614876 639823224 /nfs/dbraw/zinc/82/32/24/639823224.db2.gz IDXQWHBKAWSYSP-UHFFFAOYSA-N 1 2 222.248 -0.292 20 0 BBADLO OCC(CO)[NH2+]Cc1c(F)cncc1F ZINC000930625617 639829405 /nfs/dbraw/zinc/82/94/05/639829405.db2.gz MXSVNVVCMYSYRI-UHFFFAOYSA-N 1 2 218.203 -0.197 20 0 BBADLO OC[C@H](O)C[NH+]1CCN(c2ncns2)CC1 ZINC000930630814 639832173 /nfs/dbraw/zinc/83/21/73/639832173.db2.gz ITCPLJYDWNZGKO-MRVPVSSYSA-N 1 2 244.320 -0.987 20 0 BBADLO OC[C@@H](O)C[NH+]1CCN(c2ncns2)CC1 ZINC000930630815 639832611 /nfs/dbraw/zinc/83/26/11/639832611.db2.gz ITCPLJYDWNZGKO-QMMMGPOBSA-N 1 2 244.320 -0.987 20 0 BBADLO COCC(COC)[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000930639081 639837757 /nfs/dbraw/zinc/83/77/57/639837757.db2.gz FXQVOMWVRAYABE-MRVPVSSYSA-N 1 2 216.281 -0.532 20 0 BBADLO COCC(COC)[N@H+]1CC(=O)N[C@H](C)C1 ZINC000930639081 639837753 /nfs/dbraw/zinc/83/77/53/639837753.db2.gz FXQVOMWVRAYABE-MRVPVSSYSA-N 1 2 216.281 -0.532 20 0 BBADLO COCC(COC)[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000930639083 639833840 /nfs/dbraw/zinc/83/38/40/639833840.db2.gz FXQVOMWVRAYABE-QMMMGPOBSA-N 1 2 216.281 -0.532 20 0 BBADLO COCC(COC)[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000930639083 639833834 /nfs/dbraw/zinc/83/38/34/639833834.db2.gz FXQVOMWVRAYABE-QMMMGPOBSA-N 1 2 216.281 -0.532 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CC(=O)N1 ZINC000930640079 639837571 /nfs/dbraw/zinc/83/75/71/639837571.db2.gz LUQBFIAQFQSGSF-CHWFTXMASA-N 1 2 240.303 -0.389 20 0 BBADLO C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CC(=O)N1 ZINC000930640079 639837569 /nfs/dbraw/zinc/83/75/69/639837569.db2.gz LUQBFIAQFQSGSF-CHWFTXMASA-N 1 2 240.303 -0.389 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)CC(=O)N1 ZINC000930640081 639837228 /nfs/dbraw/zinc/83/72/28/639837228.db2.gz LUQBFIAQFQSGSF-RCWTZXSCSA-N 1 2 240.303 -0.389 20 0 BBADLO C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)CC(=O)N1 ZINC000930640081 639837223 /nfs/dbraw/zinc/83/72/23/639837223.db2.gz 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639839775 /nfs/dbraw/zinc/83/97/75/639839775.db2.gz PLPLPTSPMMAJJV-JTQLQIEISA-N 1 2 230.308 -0.140 20 0 BBADLO CCOCCOCC[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000930640869 639839000 /nfs/dbraw/zinc/83/90/00/639839000.db2.gz PLPLPTSPMMAJJV-SNVBAGLBSA-N 1 2 230.308 -0.140 20 0 BBADLO CCOCCOCC[N@H+]1CC(=O)N[C@H](C)C1 ZINC000930640869 639838997 /nfs/dbraw/zinc/83/89/97/639838997.db2.gz PLPLPTSPMMAJJV-SNVBAGLBSA-N 1 2 230.308 -0.140 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@H]2CCC3(COC3)O2)CC(=O)N1 ZINC000930641524 639839420 /nfs/dbraw/zinc/83/94/20/639839420.db2.gz QZRQLCPWYWWYES-NXEZZACHSA-N 1 2 240.303 -0.245 20 0 BBADLO C[C@@H]1C[N@H+](C[C@H]2CCC3(COC3)O2)CC(=O)N1 ZINC000930641524 639839418 /nfs/dbraw/zinc/83/94/18/639839418.db2.gz QZRQLCPWYWWYES-NXEZZACHSA-N 1 2 240.303 -0.245 20 0 BBADLO C[C@H]1C[N@@H+](C[C@@H]2CCC3(COC3)O2)CC(=O)N1 ZINC000930641525 639840078 /nfs/dbraw/zinc/84/00/78/639840078.db2.gz QZRQLCPWYWWYES-UWVGGRQHSA-N 1 2 240.303 -0.245 20 0 BBADLO C[C@H]1C[N@H+](C[C@@H]2CCC3(COC3)O2)CC(=O)N1 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C[C@@H]1C[N@H+](C[C@H](O)C2(O)CCC2)CC(=O)N1 ZINC000930642471 639838900 /nfs/dbraw/zinc/83/89/00/639838900.db2.gz ZVQONVGGJCEVRM-BDAKNGLRSA-N 1 2 228.292 -0.917 20 0 BBADLO C[C@H]1C[N@@H+](C[C@@H](O)C2(O)CCC2)CC(=O)N1 ZINC000930642472 639839385 /nfs/dbraw/zinc/83/93/85/639839385.db2.gz ZVQONVGGJCEVRM-DTWKUNHWSA-N 1 2 228.292 -0.917 20 0 BBADLO C[C@H]1C[N@H+](C[C@@H](O)C2(O)CCC2)CC(=O)N1 ZINC000930642472 639839384 /nfs/dbraw/zinc/83/93/84/639839384.db2.gz ZVQONVGGJCEVRM-DTWKUNHWSA-N 1 2 228.292 -0.917 20 0 BBADLO C[C@H]1C[N@@H+](C[C@H](O)C2(O)CCC2)CC(=O)N1 ZINC000930642474 639840289 /nfs/dbraw/zinc/84/02/89/639840289.db2.gz ZVQONVGGJCEVRM-IUCAKERBSA-N 1 2 228.292 -0.917 20 0 BBADLO C[C@H]1C[N@H+](C[C@H](O)C2(O)CCC2)CC(=O)N1 ZINC000930642474 639840287 /nfs/dbraw/zinc/84/02/87/639840287.db2.gz ZVQONVGGJCEVRM-IUCAKERBSA-N 1 2 228.292 -0.917 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@@H](O)C2(O)CCC2)CC(=O)N1 ZINC000930642475 639839312 /nfs/dbraw/zinc/83/93/12/639839312.db2.gz 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/nfs/dbraw/zinc/96/89/19/633968919.db2.gz LPJSLUUIYBPOFE-IUCAKERBSA-N 1 2 214.265 -0.778 20 0 BBADLO C[C@H]1C[N@H+](C[C@H]2COCCO2)CC(=O)N1 ZINC000930642612 633968916 /nfs/dbraw/zinc/96/89/16/633968916.db2.gz LPJSLUUIYBPOFE-IUCAKERBSA-N 1 2 214.265 -0.778 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@@H]2COCCO2)CC(=O)N1 ZINC000930642613 633969491 /nfs/dbraw/zinc/96/94/91/633969491.db2.gz LPJSLUUIYBPOFE-RKDXNWHRSA-N 1 2 214.265 -0.778 20 0 BBADLO C[C@@H]1C[N@H+](C[C@@H]2COCCO2)CC(=O)N1 ZINC000930642613 633969487 /nfs/dbraw/zinc/96/94/87/633969487.db2.gz LPJSLUUIYBPOFE-RKDXNWHRSA-N 1 2 214.265 -0.778 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@@H](O)C2(O)CCCC2)CC(=O)N1 ZINC000930643261 639840255 /nfs/dbraw/zinc/84/02/55/639840255.db2.gz UNZGNWJBXKUHJU-NXEZZACHSA-N 1 2 242.319 -0.527 20 0 BBADLO C[C@@H]1C[N@H+](C[C@@H](O)C2(O)CCCC2)CC(=O)N1 ZINC000930643261 639840230 /nfs/dbraw/zinc/84/02/30/639840230.db2.gz UNZGNWJBXKUHJU-NXEZZACHSA-N 1 2 242.319 -0.527 20 0 BBADLO C[C@H]1C[N@@H+](C[C@H](O)C2(O)CCCC2)CC(=O)N1 ZINC000930643262 639839853 /nfs/dbraw/zinc/83/98/53/639839853.db2.gz UNZGNWJBXKUHJU-UWVGGRQHSA-N 1 2 242.319 -0.527 20 0 BBADLO C[C@H]1C[N@H+](C[C@H](O)C2(O)CCCC2)CC(=O)N1 ZINC000930643262 639839848 /nfs/dbraw/zinc/83/98/48/639839848.db2.gz UNZGNWJBXKUHJU-UWVGGRQHSA-N 1 2 242.319 -0.527 20 0 BBADLO C[C@H]1C[N@@H+](C[C@@H](O)C2(O)CCCC2)CC(=O)N1 ZINC000930643263 639838810 /nfs/dbraw/zinc/83/88/10/639838810.db2.gz UNZGNWJBXKUHJU-VHSXEESVSA-N 1 2 242.319 -0.527 20 0 BBADLO C[C@H]1C[N@H+](C[C@@H](O)C2(O)CCCC2)CC(=O)N1 ZINC000930643263 639838809 /nfs/dbraw/zinc/83/88/09/639838809.db2.gz UNZGNWJBXKUHJU-VHSXEESVSA-N 1 2 242.319 -0.527 20 0 BBADLO C[C@@H]1C[N@@H+](C[C@H](O)C2(O)CCCC2)CC(=O)N1 ZINC000930643264 639838874 /nfs/dbraw/zinc/83/88/74/639838874.db2.gz UNZGNWJBXKUHJU-ZJUUUORDSA-N 1 2 242.319 -0.527 20 0 BBADLO C[C@@H]1C[N@H+](C[C@H](O)C2(O)CCCC2)CC(=O)N1 ZINC000930643264 639838870 /nfs/dbraw/zinc/83/88/70/639838870.db2.gz UNZGNWJBXKUHJU-ZJUUUORDSA-N 1 2 242.319 -0.527 20 0 BBADLO CC[C@@H]1C[C@H]1C[N@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000930696826 639864147 /nfs/dbraw/zinc/86/41/47/639864147.db2.gz KAKBTVURMLQIOW-ZJUUUORDSA-N 1 2 239.319 -0.338 20 0 BBADLO CC[C@@H]1C[C@H]1C[N@@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000930696826 639864146 /nfs/dbraw/zinc/86/41/46/639864146.db2.gz KAKBTVURMLQIOW-ZJUUUORDSA-N 1 2 239.319 -0.338 20 0 BBADLO CCn1cc(C[NH2+][C@@H]2COC[C@@H]2OC)nn1 ZINC000930704939 639870853 /nfs/dbraw/zinc/87/08/53/639870853.db2.gz FHGXIQUCLGNDTN-ZJUUUORDSA-N 1 2 226.280 -0.199 20 0 BBADLO C[C@@H](O)[C@@H](O)C[NH2+][C@@H](C)c1csnn1 ZINC000930725987 639879457 /nfs/dbraw/zinc/87/94/57/639879457.db2.gz JRCXATBOESCWNT-BBVRLYRLSA-N 1 2 217.294 -0.070 20 0 BBADLO C[C@H](O)[C@@H](O)C[NH2+][C@@H](C)c1csnn1 ZINC000930725989 639878747 /nfs/dbraw/zinc/87/87/47/639878747.db2.gz JRCXATBOESCWNT-HAFWLYHUSA-N 1 2 217.294 -0.070 20 0 BBADLO C[C@@H](O)[C@H](O)C[NH2+][C@@H](C)c1csnn1 ZINC000930725991 639880202 /nfs/dbraw/zinc/88/02/02/639880202.db2.gz JRCXATBOESCWNT-SHYZEUOFSA-N 1 2 217.294 -0.070 20 0 BBADLO C[C@H](O)[C@H](O)C[NH2+][C@@H](C)c1csnn1 ZINC000930725993 639879205 /nfs/dbraw/zinc/87/92/05/639879205.db2.gz JRCXATBOESCWNT-VMHSAVOQSA-N 1 2 217.294 -0.070 20 0 BBADLO COCCCC[NH+]1CC(S(N)(=O)=O)C1 ZINC000930728455 639881720 /nfs/dbraw/zinc/88/17/20/639881720.db2.gz CWRRUKDEHXZXEL-UHFFFAOYSA-N 1 2 222.310 -0.614 20 0 BBADLO NS(=O)(=O)C1C[NH+](CCCCCCO)C1 ZINC000930729204 639882990 /nfs/dbraw/zinc/88/29/90/639882990.db2.gz HEGRRXGBZUZRCD-UHFFFAOYSA-N 1 2 236.337 -0.488 20 0 BBADLO CSCCC[NH+]1CC(S(N)(=O)=O)C1 ZINC000930729843 634071974 /nfs/dbraw/zinc/07/19/74/634071974.db2.gz ONZBPDBTGGLETC-UHFFFAOYSA-N 1 2 224.351 -0.288 20 0 BBADLO COCCCCC[NH+]1CC(S(N)(=O)=O)C1 ZINC000930729886 639881296 /nfs/dbraw/zinc/88/12/96/639881296.db2.gz PATXSVRXAZJPAJ-UHFFFAOYSA-N 1 2 236.337 -0.224 20 0 BBADLO CC(C)(O)CC[NH+]1CC(S(N)(=O)=O)C1 ZINC000930730816 639882730 /nfs/dbraw/zinc/88/27/30/639882730.db2.gz VBRJUBWFPHSLHH-UHFFFAOYSA-N 1 2 222.310 -0.880 20 0 BBADLO NS(=O)(=O)C1C[NH+](CCC2CC2)C1 ZINC000930730819 639881583 /nfs/dbraw/zinc/88/15/83/639881583.db2.gz XNLPYOORKRTWSE-UHFFFAOYSA-N 1 2 204.295 -0.241 20 0 BBADLO NS(=O)(=O)C1C[NH+](CC2CCC2)C1 ZINC000930731051 639881981 /nfs/dbraw/zinc/88/19/81/639881981.db2.gz ZDOQFNYATBXQSB-UHFFFAOYSA-N 1 2 204.295 -0.241 20 0 BBADLO NS(=O)(=O)C1CN(CCCn2cc[nH+]c2)C1 ZINC000930731914 634071779 /nfs/dbraw/zinc/07/17/79/634071779.db2.gz QWOBNMMDXFLZJT-UHFFFAOYSA-N 1 2 244.320 -0.754 20 0 BBADLO NS(=O)(=O)C1C[NH+](CCC[C@@H]2CCOC2)C1 ZINC000930732908 639883610 /nfs/dbraw/zinc/88/36/10/639883610.db2.gz CPSMQYWMYNBRFR-SECBINFHSA-N 1 2 248.348 -0.224 20 0 BBADLO NS(=O)(=O)C1C[NH+](CCC[C@H]2CCOC2)C1 ZINC000930732912 639883430 /nfs/dbraw/zinc/88/34/30/639883430.db2.gz CPSMQYWMYNBRFR-VIFPVBQESA-N 1 2 248.348 -0.224 20 0 BBADLO CO[C@@H]1CC[C@@H]([NH+]2CC(S(N)(=O)=O)C2)C1 ZINC000930733079 639884005 /nfs/dbraw/zinc/88/40/05/639884005.db2.gz GDHLLUBCXKZQLZ-HTQZYQBOSA-N 1 2 234.321 -0.473 20 0 BBADLO CO[C@@H]1CC[C@H]([NH+]2CC(S(N)(=O)=O)C2)C1 ZINC000930733080 639884434 /nfs/dbraw/zinc/88/44/34/639884434.db2.gz GDHLLUBCXKZQLZ-JGVFFNPUSA-N 1 2 234.321 -0.473 20 0 BBADLO CO[C@H]1CC[C@@H]([NH+]2CC(S(N)(=O)=O)C2)C1 ZINC000930733081 639883680 /nfs/dbraw/zinc/88/36/80/639883680.db2.gz GDHLLUBCXKZQLZ-SFYZADRCSA-N 1 2 234.321 -0.473 20 0 BBADLO CO[C@H]1CC[C@H]([NH+]2CC(S(N)(=O)=O)C2)C1 ZINC000930733082 639883394 /nfs/dbraw/zinc/88/33/94/639883394.db2.gz GDHLLUBCXKZQLZ-YUMQZZPRSA-N 1 2 234.321 -0.473 20 0 BBADLO COC1(CC[NH+]2CC(S(N)(=O)=O)C2)CCC1 ZINC000930733294 639884208 /nfs/dbraw/zinc/88/42/08/639884208.db2.gz MUYKWNCCYUHDHB-UHFFFAOYSA-N 1 2 248.348 -0.082 20 0 BBADLO NS(=O)(=O)C1C[NH+](CCC2CCOCC2)C1 ZINC000930733549 634071806 /nfs/dbraw/zinc/07/18/06/634071806.db2.gz WGXLKXAHQHYRGG-UHFFFAOYSA-N 1 2 248.348 -0.224 20 0 BBADLO NS(=O)(=O)C1C[NH+](CCC2(O)CCC2)C1 ZINC000930733708 639884233 /nfs/dbraw/zinc/88/42/33/639884233.db2.gz ZCJABHGPBHVROK-UHFFFAOYSA-N 1 2 234.321 -0.736 20 0 BBADLO NS(=O)(=O)C1C[NH+](CC[C@H]2CCCCO2)C1 ZINC000930733947 639883754 /nfs/dbraw/zinc/88/37/54/639883754.db2.gz KZKCDYSECWDARZ-SECBINFHSA-N 1 2 248.348 -0.082 20 0 BBADLO NS(=O)(=O)C1C[NH+](CC[C@@H]2CCCCO2)C1 ZINC000930733949 639883472 /nfs/dbraw/zinc/88/34/72/639883472.db2.gz KZKCDYSECWDARZ-VIFPVBQESA-N 1 2 248.348 -0.082 20 0 BBADLO CCOC1CC(C[NH+]2CC(S(N)(=O)=O)C2)C1 ZINC000930734054 639883617 /nfs/dbraw/zinc/88/36/17/639883617.db2.gz FQBYZOGRPBBGBE-UHFFFAOYSA-N 1 2 248.348 -0.226 20 0 BBADLO CO[C@H]1C[C@@H](C[NH+]2CC(S(N)(=O)=O)C2)C1 ZINC000930734095 639883512 /nfs/dbraw/zinc/88/35/12/639883512.db2.gz AUYVZZPOIWEPAS-OCAPTIKFSA-N 1 2 234.321 -0.616 20 0 BBADLO COC(C)(C)CC[NH+]1CC(S(N)(=O)=O)C1 ZINC000930734817 639884128 /nfs/dbraw/zinc/88/41/28/639884128.db2.gz RWILURFGLSWYMY-UHFFFAOYSA-N 1 2 236.337 -0.226 20 0 BBADLO Cc1[nH]c(CN2CC(S(N)(=O)=O)C2)[nH+]c1C ZINC000930734828 639884079 /nfs/dbraw/zinc/88/40/79/639884079.db2.gz KIJWXDIOXTTXOK-UHFFFAOYSA-N 1 2 244.320 -0.501 20 0 BBADLO CC(C)[C@H](O)CC[NH+]1CC(S(N)(=O)=O)C1 ZINC000930734833 639883906 /nfs/dbraw/zinc/88/39/06/639883906.db2.gz KQPVJQYAWGKZJN-SECBINFHSA-N 1 2 236.337 -0.634 20 0 BBADLO CC(C)[C@@H](O)CC[NH+]1CC(S(N)(=O)=O)C1 ZINC000930734834 639883623 /nfs/dbraw/zinc/88/36/23/639883623.db2.gz KQPVJQYAWGKZJN-VIFPVBQESA-N 1 2 236.337 -0.634 20 0 BBADLO NS(=O)(=O)C1C[NH+](CC[C@H]2CCCO2)C1 ZINC000930734985 639886611 /nfs/dbraw/zinc/88/66/11/639886611.db2.gz UFFUCLVSTKSFKY-MRVPVSSYSA-N 1 2 234.321 -0.472 20 0 BBADLO NS(=O)(=O)C1C[NH+](CC[C@@H]2CCCO2)C1 ZINC000930734986 639886024 /nfs/dbraw/zinc/88/60/24/639886024.db2.gz UFFUCLVSTKSFKY-QMMMGPOBSA-N 1 2 234.321 -0.472 20 0 BBADLO CCO[C@@H](C[NH+]1CC(S(N)(=O)=O)C1)C1CC1 ZINC000930735056 639885631 /nfs/dbraw/zinc/88/56/31/639885631.db2.gz MHIXPSDDAXMJFV-JTQLQIEISA-N 1 2 248.348 -0.226 20 0 BBADLO CCO[C@H](C[NH+]1CC(S(N)(=O)=O)C1)C1CC1 ZINC000930735058 639885413 /nfs/dbraw/zinc/88/54/13/639885413.db2.gz MHIXPSDDAXMJFV-SNVBAGLBSA-N 1 2 248.348 -0.226 20 0 BBADLO CO[C@@H](C[NH+]1CC(S(N)(=O)=O)C1)C1CCC1 ZINC000930735189 639885355 /nfs/dbraw/zinc/88/53/55/639885355.db2.gz OTGPBLNXZRLHHS-JTQLQIEISA-N 1 2 248.348 -0.226 20 0 BBADLO NS(=O)(=O)C1C[NH+](CCCCF)C1 ZINC000930735241 639885536 /nfs/dbraw/zinc/88/55/36/639885536.db2.gz WKIGJSBPYDCCNP-UHFFFAOYSA-N 1 2 210.274 -0.291 20 0 BBADLO CO[C@H](C[NH+]1CC(S(N)(=O)=O)C1)C1CCC1 ZINC000930735450 639885343 /nfs/dbraw/zinc/88/53/43/639885343.db2.gz OTGPBLNXZRLHHS-SNVBAGLBSA-N 1 2 248.348 -0.226 20 0 BBADLO C[C@H](O)[C@H]1C[N@@H+](CCO[C@@H]2CCOC2)CCO1 ZINC000930736724 639885014 /nfs/dbraw/zinc/88/50/14/639885014.db2.gz DNLKHNFITFZWFQ-QJPTWQEYSA-N 1 2 245.319 -0.127 20 0 BBADLO C[C@H](O)[C@H]1C[N@H+](CCO[C@@H]2CCOC2)CCO1 ZINC000930736724 639885011 /nfs/dbraw/zinc/88/50/11/639885011.db2.gz DNLKHNFITFZWFQ-QJPTWQEYSA-N 1 2 245.319 -0.127 20 0 BBADLO C[C@H](O)[C@H]1C[N@@H+](CCO[C@H]2CCOC2)CCO1 ZINC000930736725 639886304 /nfs/dbraw/zinc/88/63/04/639886304.db2.gz DNLKHNFITFZWFQ-SDDRHHMPSA-N 1 2 245.319 -0.127 20 0 BBADLO C[C@H](O)[C@H]1C[N@H+](CCO[C@H]2CCOC2)CCO1 ZINC000930736725 639886302 /nfs/dbraw/zinc/88/63/02/639886302.db2.gz DNLKHNFITFZWFQ-SDDRHHMPSA-N 1 2 245.319 -0.127 20 0 BBADLO C[C@H](O)[C@@H]1C[N@@H+](CCO[C@H]2CCOC2)CCO1 ZINC000930736726 639886738 /nfs/dbraw/zinc/88/67/38/639886738.db2.gz DNLKHNFITFZWFQ-SRVKXCTJSA-N 1 2 245.319 -0.127 20 0 BBADLO C[C@H](O)[C@@H]1C[N@H+](CCO[C@H]2CCOC2)CCO1 ZINC000930736726 639886734 /nfs/dbraw/zinc/88/67/34/639886734.db2.gz DNLKHNFITFZWFQ-SRVKXCTJSA-N 1 2 245.319 -0.127 20 0 BBADLO C[C@H](O)[C@@H]1C[N@@H+](CCO[C@@H]2CCOC2)CCO1 ZINC000930736727 639885545 /nfs/dbraw/zinc/88/55/45/639885545.db2.gz DNLKHNFITFZWFQ-TUAOUCFPSA-N 1 2 245.319 -0.127 20 0 BBADLO C[C@H](O)[C@@H]1C[N@H+](CCO[C@@H]2CCOC2)CCO1 ZINC000930736727 639885544 /nfs/dbraw/zinc/88/55/44/639885544.db2.gz DNLKHNFITFZWFQ-TUAOUCFPSA-N 1 2 245.319 -0.127 20 0 BBADLO C[C@@H](O)[C@@H]1C[N@@H+](CCN2CCOCC2)CCO1 ZINC000930737722 639885944 /nfs/dbraw/zinc/88/59/44/639885944.db2.gz JAPKEKUBAYFBSD-NEPJUHHUSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@@H](O)[C@@H]1C[N@H+](CCN2CCOCC2)CCO1 ZINC000930737722 639885941 /nfs/dbraw/zinc/88/59/41/639885941.db2.gz JAPKEKUBAYFBSD-NEPJUHHUSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@H](O)[C@H]1C[N@@H+](CCN2CCOCC2)CCO1 ZINC000930737725 639886164 /nfs/dbraw/zinc/88/61/64/639886164.db2.gz JAPKEKUBAYFBSD-NWDGAFQWSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@H](O)[C@H]1C[N@H+](CCN2CCOCC2)CCO1 ZINC000930737725 639886158 /nfs/dbraw/zinc/88/61/58/639886158.db2.gz JAPKEKUBAYFBSD-NWDGAFQWSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@H](O)[C@@H]1C[N@@H+](CCN2CCOCC2)CCO1 ZINC000930737726 639886705 /nfs/dbraw/zinc/88/67/05/639886705.db2.gz JAPKEKUBAYFBSD-RYUDHWBXSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@H](O)[C@@H]1C[N@H+](CCN2CCOCC2)CCO1 ZINC000930737726 639886701 /nfs/dbraw/zinc/88/67/01/639886701.db2.gz JAPKEKUBAYFBSD-RYUDHWBXSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@@H](O)[C@H]1C[N@@H+](CCN2CCOCC2)CCO1 ZINC000930737728 639885929 /nfs/dbraw/zinc/88/59/29/639885929.db2.gz JAPKEKUBAYFBSD-VXGBXAGGSA-N 1 2 244.335 -0.600 20 0 BBADLO C[C@@H](O)[C@H]1C[N@H+](CCN2CCOCC2)CCO1 ZINC000930737728 639885928 /nfs/dbraw/zinc/88/59/28/639885928.db2.gz JAPKEKUBAYFBSD-VXGBXAGGSA-N 1 2 244.335 -0.600 20 0 BBADLO COC(=O)C1([N@@H+](C[C@H](O)CO)C2CC2)CCC1 ZINC000930738498 639888585 /nfs/dbraw/zinc/88/85/85/639888585.db2.gz JZSVQPBWTLSWAG-JTQLQIEISA-N 1 2 243.303 -0.100 20 0 BBADLO COC(=O)C1([N@H+](C[C@H](O)CO)C2CC2)CCC1 ZINC000930738498 639888581 /nfs/dbraw/zinc/88/85/81/639888581.db2.gz JZSVQPBWTLSWAG-JTQLQIEISA-N 1 2 243.303 -0.100 20 0 BBADLO COC(=O)C1([N@@H+](C[C@@H](O)CO)C2CC2)CCC1 ZINC000930741217 639890339 /nfs/dbraw/zinc/89/03/39/639890339.db2.gz JZSVQPBWTLSWAG-SNVBAGLBSA-N 1 2 243.303 -0.100 20 0 BBADLO COC(=O)C1([N@H+](C[C@@H](O)CO)C2CC2)CCC1 ZINC000930741217 639890337 /nfs/dbraw/zinc/89/03/37/639890337.db2.gz JZSVQPBWTLSWAG-SNVBAGLBSA-N 1 2 243.303 -0.100 20 0 BBADLO CCn1cc(C[N@@H+](C[C@@H](O)CO)C(C)C)nn1 ZINC000930753117 639897258 /nfs/dbraw/zinc/89/72/58/639897258.db2.gz CSYYDAXBOQCWMO-LLVKDONJSA-N 1 2 242.323 -0.138 20 0 BBADLO CCn1cc(C[N@H+](C[C@@H](O)CO)C(C)C)nn1 ZINC000930753117 639897257 /nfs/dbraw/zinc/89/72/57/639897257.db2.gz CSYYDAXBOQCWMO-LLVKDONJSA-N 1 2 242.323 -0.138 20 0 BBADLO CCn1cc(C[N@@H+](C[C@H](O)CO)C(C)C)nn1 ZINC000930753119 639897393 /nfs/dbraw/zinc/89/73/93/639897393.db2.gz CSYYDAXBOQCWMO-NSHDSACASA-N 1 2 242.323 -0.138 20 0 BBADLO CCn1cc(C[N@H+](C[C@H](O)CO)C(C)C)nn1 ZINC000930753119 639897392 /nfs/dbraw/zinc/89/73/92/639897392.db2.gz CSYYDAXBOQCWMO-NSHDSACASA-N 1 2 242.323 -0.138 20 0 BBADLO CC[C@@H](CO)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000930758010 639899666 /nfs/dbraw/zinc/89/96/66/639899666.db2.gz FXWNQMUNUBHQLW-LURJTMIESA-N 1 2 201.226 -0.022 20 0 BBADLO CC[C@@H](CO)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000930758010 639899660 /nfs/dbraw/zinc/89/96/60/639899660.db2.gz FXWNQMUNUBHQLW-LURJTMIESA-N 1 2 201.226 -0.022 20 0 BBADLO CC[C@H](CO)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000930758011 639901123 /nfs/dbraw/zinc/90/11/23/639901123.db2.gz FXWNQMUNUBHQLW-ZCFIWIBFSA-N 1 2 201.226 -0.022 20 0 BBADLO CC[C@H](CO)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000930758011 639901117 /nfs/dbraw/zinc/90/11/17/639901117.db2.gz FXWNQMUNUBHQLW-ZCFIWIBFSA-N 1 2 201.226 -0.022 20 0 BBADLO CCC(=O)N1CC[N@@H+](C[C@H](O)C2(O)CCC2)C1 ZINC000930760767 639901172 /nfs/dbraw/zinc/90/11/72/639901172.db2.gz KGBZCONLSBBCPK-JTQLQIEISA-N 1 2 242.319 -0.226 20 0 BBADLO CCC(=O)N1CC[N@H+](C[C@H](O)C2(O)CCC2)C1 ZINC000930760767 639901166 /nfs/dbraw/zinc/90/11/66/639901166.db2.gz KGBZCONLSBBCPK-JTQLQIEISA-N 1 2 242.319 -0.226 20 0 BBADLO CCC(=O)N1CC[N@@H+](C[C@@H](O)C2(O)CCC2)C1 ZINC000930760768 639899434 /nfs/dbraw/zinc/89/94/34/639899434.db2.gz KGBZCONLSBBCPK-SNVBAGLBSA-N 1 2 242.319 -0.226 20 0 BBADLO CCC(=O)N1CC[N@H+](C[C@@H](O)C2(O)CCC2)C1 ZINC000930760768 639899432 /nfs/dbraw/zinc/89/94/32/639899432.db2.gz KGBZCONLSBBCPK-SNVBAGLBSA-N 1 2 242.319 -0.226 20 0 BBADLO CC1(C(N)=O)C[NH+](C[C@H]2CCCS2(=O)=O)C1 ZINC000930809433 639913152 /nfs/dbraw/zinc/91/31/52/639913152.db2.gz KDGYRUXHXHGVNA-MRVPVSSYSA-N 1 2 246.332 -0.629 20 0 BBADLO CC1(C(N)=O)C[NH+](C[C@@H]2CCCS2(=O)=O)C1 ZINC000930809435 639911896 /nfs/dbraw/zinc/91/18/96/639911896.db2.gz KDGYRUXHXHGVNA-QMMMGPOBSA-N 1 2 246.332 -0.629 20 0 BBADLO CCn1cc(C[NH2+][C@@H]2COC[C@H]2OC)nn1 ZINC000930817074 639918595 /nfs/dbraw/zinc/91/85/95/639918595.db2.gz FHGXIQUCLGNDTN-NXEZZACHSA-N 1 2 226.280 -0.199 20 0 BBADLO CC(=O)NCC[N@H+](C)C[C@@H]1CCCS1(=O)=O ZINC000930820560 634117995 /nfs/dbraw/zinc/11/79/95/634117995.db2.gz SUZKOSCWNRFOIA-JTQLQIEISA-N 1 2 248.348 -0.369 20 0 BBADLO CC(=O)NCC[N@@H+](C)C[C@@H]1CCCS1(=O)=O ZINC000930820560 634117992 /nfs/dbraw/zinc/11/79/92/634117992.db2.gz SUZKOSCWNRFOIA-JTQLQIEISA-N 1 2 248.348 -0.369 20 0 BBADLO CC(=O)NCC[N@H+](C)C[C@H]1CCCS1(=O)=O ZINC000930820561 634116964 /nfs/dbraw/zinc/11/69/64/634116964.db2.gz SUZKOSCWNRFOIA-SNVBAGLBSA-N 1 2 248.348 -0.369 20 0 BBADLO CC(=O)NCC[N@@H+](C)C[C@H]1CCCS1(=O)=O 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BBADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1CCn1cncn1 ZINC000930830905 639932833 /nfs/dbraw/zinc/93/28/33/639932833.db2.gz LRDUNKYVBYQCKW-IVZWLZJFSA-N 1 2 237.307 -0.125 20 0 BBADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@@H+]1CCn1cncn1 ZINC000930830906 639932096 /nfs/dbraw/zinc/93/20/96/639932096.db2.gz LRDUNKYVBYQCKW-LPEHRKFASA-N 1 2 237.307 -0.125 20 0 BBADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@H+]1CCn1cncn1 ZINC000930830906 639932091 /nfs/dbraw/zinc/93/20/91/639932091.db2.gz LRDUNKYVBYQCKW-LPEHRKFASA-N 1 2 237.307 -0.125 20 0 BBADLO C[C@@H]1NC(=O)[C@H](C)[N@@H+](CCn2cnnn2)[C@H]1C ZINC000930838891 639938571 /nfs/dbraw/zinc/93/85/71/639938571.db2.gz IJIXWVLWHSESHY-CIUDSAMLSA-N 1 2 238.295 -0.730 20 0 BBADLO C[C@@H]1NC(=O)[C@H](C)[N@H+](CCn2cnnn2)[C@H]1C ZINC000930838891 639938565 /nfs/dbraw/zinc/93/85/65/639938565.db2.gz IJIXWVLWHSESHY-CIUDSAMLSA-N 1 2 238.295 -0.730 20 0 BBADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1CCn1cnnn1 ZINC000930838892 639939177 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/nfs/dbraw/zinc/09/87/01/640098701.db2.gz GNELNLHOPMKOFO-ZCFIWIBFSA-N 1 2 224.264 -0.642 20 0 BBADLO Cn1nnc(C[N@H+]2CCc3c(=O)[nH]n(C)c3C2)n1 ZINC000931196338 640100860 /nfs/dbraw/zinc/10/08/60/640100860.db2.gz OLEINWNLZAPPIA-UHFFFAOYSA-N 1 2 249.278 -0.793 20 0 BBADLO Cn1nnc(C[N@@H+]2CCc3c(=O)[nH]n(C)c3C2)n1 ZINC000931196338 640100853 /nfs/dbraw/zinc/10/08/53/640100853.db2.gz OLEINWNLZAPPIA-UHFFFAOYSA-N 1 2 249.278 -0.793 20 0 BBADLO CCNC(=O)C[N@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931200006 640100437 /nfs/dbraw/zinc/10/04/37/640100437.db2.gz PENIBYCCBXRUKM-UHFFFAOYSA-N 1 2 238.291 -0.380 20 0 BBADLO CCNC(=O)C[N@@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931200006 640100431 /nfs/dbraw/zinc/10/04/31/640100431.db2.gz PENIBYCCBXRUKM-UHFFFAOYSA-N 1 2 238.291 -0.380 20 0 BBADLO Cn1nnnc1C[N@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931200435 640099796 /nfs/dbraw/zinc/09/97/96/640099796.db2.gz RMYKOMGEPDCBQW-UHFFFAOYSA-N 1 2 249.278 -0.793 20 0 BBADLO Cn1nnnc1C[N@@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931200435 640099787 /nfs/dbraw/zinc/09/97/87/640099787.db2.gz RMYKOMGEPDCBQW-UHFFFAOYSA-N 1 2 249.278 -0.793 20 0 BBADLO CN(CCn1cc[nH+]c1)C1CS(=O)(=O)C1 ZINC000931234679 640107583 /nfs/dbraw/zinc/10/75/83/640107583.db2.gz KZHMNDZXGWJOHC-UHFFFAOYSA-N 1 2 229.305 -0.388 20 0 BBADLO C[N@@H+](C[C@H]1CCOC1)C1CS(=O)(=O)C1 ZINC000931235297 640108855 /nfs/dbraw/zinc/10/88/55/640108855.db2.gz QGPWMDHJONZCJB-MRVPVSSYSA-N 1 2 219.306 -0.248 20 0 BBADLO C[N@H+](C[C@H]1CCOC1)C1CS(=O)(=O)C1 ZINC000931235297 640108852 /nfs/dbraw/zinc/10/88/52/640108852.db2.gz QGPWMDHJONZCJB-MRVPVSSYSA-N 1 2 219.306 -0.248 20 0 BBADLO C[N@@H+](C[C@@H]1CCOC1)C1CS(=O)(=O)C1 ZINC000931235298 640107241 /nfs/dbraw/zinc/10/72/41/640107241.db2.gz QGPWMDHJONZCJB-QMMMGPOBSA-N 1 2 219.306 -0.248 20 0 BBADLO C[N@H+](C[C@@H]1CCOC1)C1CS(=O)(=O)C1 ZINC000931235298 640107235 /nfs/dbraw/zinc/10/72/35/640107235.db2.gz QGPWMDHJONZCJB-QMMMGPOBSA-N 1 2 219.306 -0.248 20 0 BBADLO C[C@@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2N(C)C)S(C)(=O)=O 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Cc1nc2c(c(=O)[nH]1)C[N@@H+]([C@H]1CCNC1=O)C2 ZINC000931319420 640154919 /nfs/dbraw/zinc/15/49/19/640154919.db2.gz ZJBLRGNXZBMZIX-VIFPVBQESA-N 1 2 234.259 -0.305 20 0 BBADLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[nH]1 ZINC000931392358 640175972 /nfs/dbraw/zinc/17/59/72/640175972.db2.gz WHGDODSOSRCFOG-OCAPTIKFSA-N 1 2 223.280 -0.211 20 0 BBADLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[nH]1 ZINC000931392358 640175968 /nfs/dbraw/zinc/17/59/68/640175968.db2.gz WHGDODSOSRCFOG-OCAPTIKFSA-N 1 2 223.280 -0.211 20 0 BBADLO CN1C[C@H]2CC[C@@H](C1)[N@@H+]2CCS(C)(=O)=O ZINC000931396414 640180194 /nfs/dbraw/zinc/18/01/94/640180194.db2.gz VNCCQESDSJAUPN-AOOOYVTPSA-N 1 2 232.349 -0.191 20 0 BBADLO CN1C[C@H]2CC[C@@H](C1)[N@H+]2CCS(C)(=O)=O ZINC000931396414 640180189 /nfs/dbraw/zinc/18/01/89/640180189.db2.gz VNCCQESDSJAUPN-AOOOYVTPSA-N 1 2 232.349 -0.191 20 0 BBADLO C[N@H+]1CCN(Cc2nncs2)C[C@@H]1CO ZINC000931400278 640178638 /nfs/dbraw/zinc/17/86/38/640178638.db2.gz MTHIWVAVSAOKKE-MRVPVSSYSA-N 1 2 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/nfs/dbraw/zinc/18/34/44/640183444.db2.gz ZSIUSVYVHDADRE-QWRGUYRKSA-N 1 2 241.335 -0.785 20 0 BBADLO CN1CCC[C@H](N2CC[N@H+](C)[C@H](CO)C2)C1=O ZINC000931404461 640183439 /nfs/dbraw/zinc/18/34/39/640183439.db2.gz ZSIUSVYVHDADRE-QWRGUYRKSA-N 1 2 241.335 -0.785 20 0 BBADLO CN1CCC[C@@H](N2CC[N@@H+](C)[C@H](CO)C2)C1=O ZINC000931404462 640184400 /nfs/dbraw/zinc/18/44/00/640184400.db2.gz ZSIUSVYVHDADRE-WDEREUQCSA-N 1 2 241.335 -0.785 20 0 BBADLO CN1CCC[C@@H](N2CC[N@H+](C)[C@H](CO)C2)C1=O ZINC000931404462 640184398 /nfs/dbraw/zinc/18/43/98/640184398.db2.gz ZSIUSVYVHDADRE-WDEREUQCSA-N 1 2 241.335 -0.785 20 0 BBADLO Cc1cn(C)nc1C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000931550107 640269607 /nfs/dbraw/zinc/26/96/07/640269607.db2.gz JHENCIZTPVMIIZ-MNOVXSKESA-N 1 2 225.292 -0.344 20 0 BBADLO Cc1cn(C)nc1C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000931550107 640269600 /nfs/dbraw/zinc/26/96/00/640269600.db2.gz JHENCIZTPVMIIZ-MNOVXSKESA-N 1 2 225.292 -0.344 20 0 BBADLO CC[C@@H]1C[C@H]1C[NH+](CC(=O)NC)CC(=O)NC ZINC000931620171 640290856 /nfs/dbraw/zinc/29/08/56/640290856.db2.gz BGYOAYBEDMOHHQ-ZJUUUORDSA-N 1 2 241.335 -0.174 20 0 BBADLO CNC(=O)C[NH+](CC(=O)NC)CC1CC(C)C1 ZINC000931623301 640292790 /nfs/dbraw/zinc/29/27/90/640292790.db2.gz VWEYVSDJGIUPGC-UHFFFAOYSA-N 1 2 241.335 -0.174 20 0 BBADLO COC1(OC)CC[N@@H+](CC(C)=O)C[C@H]1O ZINC000931631723 640295417 /nfs/dbraw/zinc/29/54/17/640295417.db2.gz JJCLCCNQZKMKIO-SECBINFHSA-N 1 2 217.265 -0.369 20 0 BBADLO COC1(OC)CC[N@H+](CC(C)=O)C[C@H]1O ZINC000931631723 640295407 /nfs/dbraw/zinc/29/54/07/640295407.db2.gz JJCLCCNQZKMKIO-SECBINFHSA-N 1 2 217.265 -0.369 20 0 BBADLO COC1(OC)CC[N@@H+](CC(C)=O)C[C@@H]1O ZINC000931631727 640296760 /nfs/dbraw/zinc/29/67/60/640296760.db2.gz JJCLCCNQZKMKIO-VIFPVBQESA-N 1 2 217.265 -0.369 20 0 BBADLO COC1(OC)CC[N@H+](CC(C)=O)C[C@@H]1O ZINC000931631727 640296757 /nfs/dbraw/zinc/29/67/57/640296757.db2.gz JJCLCCNQZKMKIO-VIFPVBQESA-N 1 2 217.265 -0.369 20 0 BBADLO COC1(OC)CC[N@@H+](Cc2cc[nH]n2)C[C@@H]1O ZINC000931636414 635159311 /nfs/dbraw/zinc/15/93/11/635159311.db2.gz WFUWFMMJIUYVRZ-JTQLQIEISA-N 1 2 241.291 -0.035 20 0 BBADLO COC1(OC)CC[N@H+](Cc2cc[nH]n2)C[C@@H]1O ZINC000931636414 635159309 /nfs/dbraw/zinc/15/93/09/635159309.db2.gz WFUWFMMJIUYVRZ-JTQLQIEISA-N 1 2 241.291 -0.035 20 0 BBADLO COC1(OC)CC[N@@H+](Cc2cc[nH]n2)C[C@H]1O ZINC000931636416 635159322 /nfs/dbraw/zinc/15/93/22/635159322.db2.gz WFUWFMMJIUYVRZ-SNVBAGLBSA-N 1 2 241.291 -0.035 20 0 BBADLO COC1(OC)CC[N@H+](Cc2cc[nH]n2)C[C@H]1O ZINC000931636416 635159320 /nfs/dbraw/zinc/15/93/20/635159320.db2.gz WFUWFMMJIUYVRZ-SNVBAGLBSA-N 1 2 241.291 -0.035 20 0 BBADLO COC(=O)[C@@H](C)[N@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931638702 640303370 /nfs/dbraw/zinc/30/33/70/640303370.db2.gz CSPPKUXYHFXWHZ-BDAKNGLRSA-N 1 2 247.291 -0.396 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931638702 640303365 /nfs/dbraw/zinc/30/33/65/640303365.db2.gz CSPPKUXYHFXWHZ-BDAKNGLRSA-N 1 2 247.291 -0.396 20 0 BBADLO COC(=O)[C@H](C)[N@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931638703 640301975 /nfs/dbraw/zinc/30/19/75/640301975.db2.gz CSPPKUXYHFXWHZ-DTWKUNHWSA-N 1 2 247.291 -0.396 20 0 BBADLO COC(=O)[C@H](C)[N@@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931638703 640301966 /nfs/dbraw/zinc/30/19/66/640301966.db2.gz CSPPKUXYHFXWHZ-DTWKUNHWSA-N 1 2 247.291 -0.396 20 0 BBADLO COC(=O)[C@H](C)[N@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931638704 640302271 /nfs/dbraw/zinc/30/22/71/640302271.db2.gz CSPPKUXYHFXWHZ-IUCAKERBSA-N 1 2 247.291 -0.396 20 0 BBADLO COC(=O)[C@H](C)[N@@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931638704 640302269 /nfs/dbraw/zinc/30/22/69/640302269.db2.gz CSPPKUXYHFXWHZ-IUCAKERBSA-N 1 2 247.291 -0.396 20 0 BBADLO COC(=O)[C@@H](C)[N@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931638705 640302998 /nfs/dbraw/zinc/30/29/98/640302998.db2.gz CSPPKUXYHFXWHZ-RKDXNWHRSA-N 1 2 247.291 -0.396 20 0 BBADLO COC(=O)[C@@H](C)[N@@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931638705 640302992 /nfs/dbraw/zinc/30/29/92/640302992.db2.gz CSPPKUXYHFXWHZ-RKDXNWHRSA-N 1 2 247.291 -0.396 20 0 BBADLO C[C@H]([NH2+][C@H]1C(=O)NCC1(C)C)c1nnnn1C ZINC000931653885 640304406 /nfs/dbraw/zinc/30/44/06/640304406.db2.gz INASBLRSUBXDGY-BQBZGAKWSA-N 1 2 238.295 -0.615 20 0 BBADLO C[C@H]([NH2+][C@@H]1C(=O)NCC1(C)C)c1nnnn1C ZINC000931653894 640305112 /nfs/dbraw/zinc/30/51/12/640305112.db2.gz INASBLRSUBXDGY-NKWVEPMBSA-N 1 2 238.295 -0.615 20 0 BBADLO C[C@@H]([NH2+][C@@H]1C(=O)NCC1(C)C)c1nnnn1C ZINC000931653895 640303790 /nfs/dbraw/zinc/30/37/90/640303790.db2.gz INASBLRSUBXDGY-RNFRBKRXSA-N 1 2 238.295 -0.615 20 0 BBADLO C[C@@H]([NH2+][C@H]1C(=O)NCC1(C)C)c1nnnn1C ZINC000931653896 640304152 /nfs/dbraw/zinc/30/41/52/640304152.db2.gz INASBLRSUBXDGY-RQJHMYQMSA-N 1 2 238.295 -0.615 20 0 BBADLO CCN1OC[C@@H]([NH2+][C@@H]2C(=O)NCC2(C)C)C1=O ZINC000931655958 640304962 /nfs/dbraw/zinc/30/49/62/640304962.db2.gz SMTBBYYSPQBVGI-HTQZYQBOSA-N 1 2 241.291 -0.737 20 0 BBADLO CCN1OC[C@H]([NH2+][C@@H]2C(=O)NCC2(C)C)C1=O ZINC000931655959 640304034 /nfs/dbraw/zinc/30/40/34/640304034.db2.gz SMTBBYYSPQBVGI-JGVFFNPUSA-N 1 2 241.291 -0.737 20 0 BBADLO CCN1OC[C@@H]([NH2+][C@H]2C(=O)NCC2(C)C)C1=O ZINC000931655961 640303967 /nfs/dbraw/zinc/30/39/67/640303967.db2.gz SMTBBYYSPQBVGI-SFYZADRCSA-N 1 2 241.291 -0.737 20 0 BBADLO CCN1OC[C@H]([NH2+][C@H]2C(=O)NCC2(C)C)C1=O ZINC000931655962 640304643 /nfs/dbraw/zinc/30/46/43/640304643.db2.gz SMTBBYYSPQBVGI-YUMQZZPRSA-N 1 2 241.291 -0.737 20 0 BBADLO Cc1nnc(C[NH2+][C@@H]2C(=O)NCC2(C)C)[nH]1 ZINC000931658258 635176217 /nfs/dbraw/zinc/17/62/17/635176217.db2.gz YQIWYCCECSFKEC-MRVPVSSYSA-N 1 2 223.280 -0.273 20 0 BBADLO Cc1nnc(C[NH2+][C@H]2C(=O)NCC2(C)C)[nH]1 ZINC000931658259 635177392 /nfs/dbraw/zinc/17/73/92/635177392.db2.gz YQIWYCCECSFKEC-QMMMGPOBSA-N 1 2 223.280 -0.273 20 0 BBADLO OC[C@H](O)C[NH2+]C1(c2ncccn2)CCC1 ZINC000931691646 640318741 /nfs/dbraw/zinc/31/87/41/640318741.db2.gz GKSOBLLHWONPEY-SECBINFHSA-N 1 2 223.276 -0.201 20 0 BBADLO OC[C@@H](O)C[NH2+]C1(c2ncccn2)CCC1 ZINC000931691648 640318886 /nfs/dbraw/zinc/31/88/86/640318886.db2.gz GKSOBLLHWONPEY-VIFPVBQESA-N 1 2 223.276 -0.201 20 0 BBADLO O=C1CC[N@@H+](CCOC2CC2)C2(COC2)CN1 ZINC000931697055 640320405 /nfs/dbraw/zinc/32/04/05/640320405.db2.gz SXJVVVSFBKOXDY-UHFFFAOYSA-N 1 2 240.303 -0.244 20 0 BBADLO O=C1CC[N@H+](CCOC2CC2)C2(COC2)CN1 ZINC000931697055 640320397 /nfs/dbraw/zinc/32/03/97/640320397.db2.gz SXJVVVSFBKOXDY-UHFFFAOYSA-N 1 2 240.303 -0.244 20 0 BBADLO O=C(C[N@@H+]1C[C@@H]2C[C@]2(O)C1)Nc1cccnn1 ZINC000931698849 635248820 /nfs/dbraw/zinc/24/88/20/635248820.db2.gz NYVYYRCTOZPIDZ-KWQFWETISA-N 1 2 234.259 -0.518 20 0 BBADLO O=C(C[N@H+]1C[C@@H]2C[C@]2(O)C1)Nc1cccnn1 ZINC000931698849 635248812 /nfs/dbraw/zinc/24/88/12/635248812.db2.gz NYVYYRCTOZPIDZ-KWQFWETISA-N 1 2 234.259 -0.518 20 0 BBADLO O=C(C[N@@H+]1C[C@H]2C[C@@]2(O)C1)Nc1cccnn1 ZINC000931698850 635248502 /nfs/dbraw/zinc/24/85/02/635248502.db2.gz NYVYYRCTOZPIDZ-LDYMZIIASA-N 1 2 234.259 -0.518 20 0 BBADLO O=C(C[N@H+]1C[C@H]2C[C@@]2(O)C1)Nc1cccnn1 ZINC000931698850 635248495 /nfs/dbraw/zinc/24/84/95/635248495.db2.gz NYVYYRCTOZPIDZ-LDYMZIIASA-N 1 2 234.259 -0.518 20 0 BBADLO CC[C@H](CO)[NH2+]CC(=O)N=S(C)(C)=O ZINC000931772242 640365298 /nfs/dbraw/zinc/36/52/98/640365298.db2.gz JSUCKLXYUYZECG-SSDOTTSWSA-N 1 2 222.310 -0.399 20 0 BBADLO CC[C@@H](CO)[NH2+]CC(=O)N=S(C)(C)=O ZINC000931772246 640364947 /nfs/dbraw/zinc/36/49/47/640364947.db2.gz JSUCKLXYUYZECG-ZETCQYMHSA-N 1 2 222.310 -0.399 20 0 BBADLO CNC(=O)C[N@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000931939403 640397621 /nfs/dbraw/zinc/39/76/21/640397621.db2.gz GGDPVXXFGKHGLW-MRVPVSSYSA-N 1 2 224.264 -0.087 20 0 BBADLO CNC(=O)C[N@@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000931939403 640397602 /nfs/dbraw/zinc/39/76/02/640397602.db2.gz GGDPVXXFGKHGLW-MRVPVSSYSA-N 1 2 224.264 -0.087 20 0 BBADLO CNC(=O)C[N@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000931939405 640395967 /nfs/dbraw/zinc/39/59/67/640395967.db2.gz GGDPVXXFGKHGLW-QMMMGPOBSA-N 1 2 224.264 -0.087 20 0 BBADLO CNC(=O)C[N@@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000931939405 640395965 /nfs/dbraw/zinc/39/59/65/640395965.db2.gz GGDPVXXFGKHGLW-QMMMGPOBSA-N 1 2 224.264 -0.087 20 0 BBADLO c1n[nH]nc1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932000167 640406994 /nfs/dbraw/zinc/40/69/94/640406994.db2.gz MWUYTRUXXOBPHE-MRVPVSSYSA-N 1 2 224.264 -0.001 20 0 BBADLO c1n[nH]nc1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932000167 640406993 /nfs/dbraw/zinc/40/69/93/640406993.db2.gz MWUYTRUXXOBPHE-MRVPVSSYSA-N 1 2 224.264 -0.001 20 0 BBADLO c1[nH]nnc1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932000167 640406991 /nfs/dbraw/zinc/40/69/91/640406991.db2.gz MWUYTRUXXOBPHE-MRVPVSSYSA-N 1 2 224.264 -0.001 20 0 BBADLO c1[nH]nnc1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932000167 640406990 /nfs/dbraw/zinc/40/69/90/640406990.db2.gz MWUYTRUXXOBPHE-MRVPVSSYSA-N 1 2 224.264 -0.001 20 0 BBADLO c1nn[nH]c1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932000167 640406986 /nfs/dbraw/zinc/40/69/86/640406986.db2.gz MWUYTRUXXOBPHE-MRVPVSSYSA-N 1 2 224.264 -0.001 20 0 BBADLO c1nn[nH]c1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932000167 640406982 /nfs/dbraw/zinc/40/69/82/640406982.db2.gz MWUYTRUXXOBPHE-MRVPVSSYSA-N 1 2 224.264 -0.001 20 0 BBADLO c1n[nH]nc1C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000932000169 640406321 /nfs/dbraw/zinc/40/63/21/640406321.db2.gz MWUYTRUXXOBPHE-QMMMGPOBSA-N 1 2 224.264 -0.001 20 0 BBADLO c1n[nH]nc1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000932000169 640406317 /nfs/dbraw/zinc/40/63/17/640406317.db2.gz MWUYTRUXXOBPHE-QMMMGPOBSA-N 1 2 224.264 -0.001 20 0 BBADLO c1[nH]nnc1C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000932000169 640406312 /nfs/dbraw/zinc/40/63/12/640406312.db2.gz MWUYTRUXXOBPHE-QMMMGPOBSA-N 1 2 224.264 -0.001 20 0 BBADLO c1[nH]nnc1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000932000169 640406309 /nfs/dbraw/zinc/40/63/09/640406309.db2.gz MWUYTRUXXOBPHE-QMMMGPOBSA-N 1 2 224.264 -0.001 20 0 BBADLO c1nn[nH]c1C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000932000169 640406299 /nfs/dbraw/zinc/40/62/99/640406299.db2.gz MWUYTRUXXOBPHE-QMMMGPOBSA-N 1 2 224.264 -0.001 20 0 BBADLO c1nn[nH]c1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000932000169 640406293 /nfs/dbraw/zinc/40/62/93/640406293.db2.gz MWUYTRUXXOBPHE-QMMMGPOBSA-N 1 2 224.264 -0.001 20 0 BBADLO C[C@@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)CCO1 ZINC000932347982 640490108 /nfs/dbraw/zinc/49/01/08/640490108.db2.gz PTAXYMIIOQNCCJ-MRVPVSSYSA-N 1 2 226.280 -0.281 20 0 BBADLO C[C@@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)CCO1 ZINC000932347982 640490100 /nfs/dbraw/zinc/49/01/00/640490100.db2.gz PTAXYMIIOQNCCJ-MRVPVSSYSA-N 1 2 226.280 -0.281 20 0 BBADLO C[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)CCO1 ZINC000932347983 640490679 /nfs/dbraw/zinc/49/06/79/640490679.db2.gz PTAXYMIIOQNCCJ-QMMMGPOBSA-N 1 2 226.280 -0.281 20 0 BBADLO C[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)CCO1 ZINC000932347983 640490675 /nfs/dbraw/zinc/49/06/75/640490675.db2.gz PTAXYMIIOQNCCJ-QMMMGPOBSA-N 1 2 226.280 -0.281 20 0 BBADLO CC(C)(C)NC(=O)[C@H]1CCC[N@H+]1CC(N)=O ZINC000932437337 640527410 /nfs/dbraw/zinc/52/74/10/640527410.db2.gz BOVUVVCLIYCTGQ-MRVPVSSYSA-N 1 2 227.308 -0.149 20 0 BBADLO CC(C)(C)NC(=O)[C@H]1CCC[N@@H+]1CC(N)=O ZINC000932437337 640527407 /nfs/dbraw/zinc/52/74/07/640527407.db2.gz BOVUVVCLIYCTGQ-MRVPVSSYSA-N 1 2 227.308 -0.149 20 0 BBADLO CC(C)(C)NC(=O)[C@@H]1CCC[N@H+]1CC(N)=O ZINC000932437338 640526779 /nfs/dbraw/zinc/52/67/79/640526779.db2.gz BOVUVVCLIYCTGQ-QMMMGPOBSA-N 1 2 227.308 -0.149 20 0 BBADLO CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1CC(N)=O ZINC000932437338 640526777 /nfs/dbraw/zinc/52/67/77/640526777.db2.gz BOVUVVCLIYCTGQ-QMMMGPOBSA-N 1 2 227.308 -0.149 20 0 BBADLO C[C@@H]1OCCO[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000932475956 640541749 /nfs/dbraw/zinc/54/17/49/640541749.db2.gz UCPOLUUDQVAIPI-WPRPVWTQSA-N 1 2 239.275 -0.128 20 0 BBADLO CC[N@@H+](CCC(N)=O)Cc1ncnn1CCF ZINC000932479152 640546184 /nfs/dbraw/zinc/54/61/84/640546184.db2.gz SAVBAROPSCGMFM-UHFFFAOYSA-N 1 2 243.286 -0.055 20 0 BBADLO CC[N@H+](CCC(N)=O)Cc1ncnn1CCF ZINC000932479152 640546179 /nfs/dbraw/zinc/54/61/79/640546179.db2.gz SAVBAROPSCGMFM-UHFFFAOYSA-N 1 2 243.286 -0.055 20 0 BBADLO 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CC[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)NC1CC1 ZINC000933224076 640684969 /nfs/dbraw/zinc/68/49/69/640684969.db2.gz JBKWCAFCNIGHBU-SNVBAGLBSA-N 1 2 239.319 -0.135 20 0 BBADLO CC[C@@H]1C(=O)NCCC[N@H+]1CC(=O)NC1CC1 ZINC000933224076 640684966 /nfs/dbraw/zinc/68/49/66/640684966.db2.gz JBKWCAFCNIGHBU-SNVBAGLBSA-N 1 2 239.319 -0.135 20 0 BBADLO CC[C@H]1C(=O)NCCC[N@@H+]1CC(=O)N(C)C ZINC000933224704 640686173 /nfs/dbraw/zinc/68/61/73/640686173.db2.gz FYKKSJQJPQGZQG-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO CC[C@H]1C(=O)NCCC[N@H+]1CC(=O)N(C)C ZINC000933224704 640686169 /nfs/dbraw/zinc/68/61/69/640686169.db2.gz FYKKSJQJPQGZQG-VIFPVBQESA-N 1 2 227.308 -0.325 20 0 BBADLO CCNC(=O)C[N@H+]1CCCNC(=O)[C@H]1CC ZINC000933224785 642402138 /nfs/dbraw/zinc/40/21/38/642402138.db2.gz WHHQBSJMAJJJAS-SECBINFHSA-N 1 2 227.308 -0.277 20 0 BBADLO CCNC(=O)C[N@@H+]1CCCNC(=O)[C@H]1CC ZINC000933224785 642402132 /nfs/dbraw/zinc/40/21/32/642402132.db2.gz WHHQBSJMAJJJAS-SECBINFHSA-N 1 2 227.308 -0.277 20 0 BBADLO CC[C@H]1C(=O)NCCC[N@@H+]1CC(=O)NC1CC1 ZINC000933224905 640685446 /nfs/dbraw/zinc/68/54/46/640685446.db2.gz JBKWCAFCNIGHBU-JTQLQIEISA-N 1 2 239.319 -0.135 20 0 BBADLO CC[C@H]1C(=O)NCCC[N@H+]1CC(=O)NC1CC1 ZINC000933224905 640685445 /nfs/dbraw/zinc/68/54/45/640685445.db2.gz JBKWCAFCNIGHBU-JTQLQIEISA-N 1 2 239.319 -0.135 20 0 BBADLO CC[C@H]1C(=O)NCCC[N@@H+]1CC(=O)NC ZINC000933225467 640684993 /nfs/dbraw/zinc/68/49/93/640684993.db2.gz CANZNWVAHZOPSS-QMMMGPOBSA-N 1 2 213.281 -0.667 20 0 BBADLO CC[C@H]1C(=O)NCCC[N@H+]1CC(=O)NC ZINC000933225467 640684991 /nfs/dbraw/zinc/68/49/91/640684991.db2.gz CANZNWVAHZOPSS-QMMMGPOBSA-N 1 2 213.281 -0.667 20 0 BBADLO CCNC(=O)C[N@H+]1CCCNC(=O)[C@@H]1CC ZINC000933226395 640685610 /nfs/dbraw/zinc/68/56/10/640685610.db2.gz WHHQBSJMAJJJAS-VIFPVBQESA-N 1 2 227.308 -0.277 20 0 BBADLO CCNC(=O)C[N@@H+]1CCCNC(=O)[C@@H]1CC ZINC000933226395 640685607 /nfs/dbraw/zinc/68/56/07/640685607.db2.gz WHHQBSJMAJJJAS-VIFPVBQESA-N 1 2 227.308 -0.277 20 0 BBADLO CC[C@H]1C(=O)NCCC[N@@H+]1CC(=O)N1CCC1 ZINC000933226635 640685538 /nfs/dbraw/zinc/68/55/38/640685538.db2.gz LYPCHBDBJMKFJM-JTQLQIEISA-N 1 2 239.319 -0.181 20 0 BBADLO CC[C@H]1C(=O)NCCC[N@H+]1CC(=O)N1CCC1 ZINC000933226635 640685536 /nfs/dbraw/zinc/68/55/36/640685536.db2.gz LYPCHBDBJMKFJM-JTQLQIEISA-N 1 2 239.319 -0.181 20 0 BBADLO CC[C@H]1C(=O)NCCC[N@@H+]1CC(=O)N(C)OC ZINC000933229453 640688592 /nfs/dbraw/zinc/68/85/92/640688592.db2.gz MMBQULHZQTZIFO-VIFPVBQESA-N 1 2 243.307 -0.393 20 0 BBADLO CC[C@H]1C(=O)NCCC[N@H+]1CC(=O)N(C)OC ZINC000933229453 640688588 /nfs/dbraw/zinc/68/85/88/640688588.db2.gz MMBQULHZQTZIFO-VIFPVBQESA-N 1 2 243.307 -0.393 20 0 BBADLO CCn1c[nH+]c2c1CCN(C[C@H](O)CO)C2 ZINC000933252396 640690485 /nfs/dbraw/zinc/69/04/85/640690485.db2.gz BLKBNPZYKGKBPV-VIFPVBQESA-N 1 2 225.292 -0.386 20 0 BBADLO CCn1c[nH+]c2c1CCN(Cc1nnn(C)n1)C2 ZINC000933254479 642425807 /nfs/dbraw/zinc/42/58/07/642425807.db2.gz QCCFWJNSRSZGDR-UHFFFAOYSA-N 1 2 247.306 -0.015 20 0 BBADLO CCn1c[nH+]c2c1CCN(C[C@@H](O)CO)C2 ZINC000933255500 642426426 /nfs/dbraw/zinc/42/64/26/642426426.db2.gz BLKBNPZYKGKBPV-SECBINFHSA-N 1 2 225.292 -0.386 20 0 BBADLO CCn1c[nH+]c2c1CCN(Cc1nnnn1C)C2 ZINC000933262953 640692472 /nfs/dbraw/zinc/69/24/72/640692472.db2.gz VTTDFDILWLRXSP-UHFFFAOYSA-N 1 2 247.306 -0.015 20 0 BBADLO CCn1c[nH+]c2c1CCN(CC(N)=O)C2 ZINC000933263907 640691747 /nfs/dbraw/zinc/69/17/47/640691747.db2.gz RZKRSBNTECWJHY-UHFFFAOYSA-N 1 2 208.265 -0.254 20 0 BBADLO COC[C@@H]1COCCN1CC[NH+]1CCOCC1 ZINC000933326409 640704690 /nfs/dbraw/zinc/70/46/90/640704690.db2.gz BXMGVXUOUQCFTO-GFCCVEGCSA-N 1 2 244.335 -0.334 20 0 BBADLO COC[C@@H]1COCC[N@H+]1CCN1CCOCC1 ZINC000933326409 640704687 /nfs/dbraw/zinc/70/46/87/640704687.db2.gz BXMGVXUOUQCFTO-GFCCVEGCSA-N 1 2 244.335 -0.334 20 0 BBADLO COC[C@@H]1COCC[N@@H+]1CCN1CCOCC1 ZINC000933326409 640704683 /nfs/dbraw/zinc/70/46/83/640704683.db2.gz BXMGVXUOUQCFTO-GFCCVEGCSA-N 1 2 244.335 -0.334 20 0 BBADLO COC[C@H]1COCCN1CC[NH+]1CCOCC1 ZINC000933326410 640704870 /nfs/dbraw/zinc/70/48/70/640704870.db2.gz BXMGVXUOUQCFTO-LBPRGKRZSA-N 1 2 244.335 -0.334 20 0 BBADLO COC[C@H]1COCC[N@H+]1CCN1CCOCC1 ZINC000933326410 640704864 /nfs/dbraw/zinc/70/48/64/640704864.db2.gz BXMGVXUOUQCFTO-LBPRGKRZSA-N 1 2 244.335 -0.334 20 0 BBADLO COC[C@H]1COCC[N@@H+]1CCN1CCOCC1 ZINC000933326410 640704858 /nfs/dbraw/zinc/70/48/58/640704858.db2.gz BXMGVXUOUQCFTO-LBPRGKRZSA-N 1 2 244.335 -0.334 20 0 BBADLO COC[C@@H]1COCC[N@H+]1CCc1nnnn1C ZINC000933327005 631257934 /nfs/dbraw/zinc/25/79/34/631257934.db2.gz JSGGHISZALYAER-SECBINFHSA-N 1 2 241.295 -0.900 20 0 BBADLO COC[C@@H]1COCC[N@@H+]1CCc1nnnn1C ZINC000933327005 631257928 /nfs/dbraw/zinc/25/79/28/631257928.db2.gz JSGGHISZALYAER-SECBINFHSA-N 1 2 241.295 -0.900 20 0 BBADLO COC[C@H]1COCC[N@H+]1CCc1nnnn1C ZINC000933327006 631258879 /nfs/dbraw/zinc/25/88/79/631258879.db2.gz JSGGHISZALYAER-VIFPVBQESA-N 1 2 241.295 -0.900 20 0 BBADLO COC[C@H]1COCC[N@@H+]1CCc1nnnn1C ZINC000933327006 631258874 /nfs/dbraw/zinc/25/88/74/631258874.db2.gz JSGGHISZALYAER-VIFPVBQESA-N 1 2 241.295 -0.900 20 0 BBADLO COC[C@@H]1COCC[N@H+]1CCn1cnnn1 ZINC000933327808 631259092 /nfs/dbraw/zinc/25/90/92/631259092.db2.gz SNEAIVSXGBYCTR-SECBINFHSA-N 1 2 227.268 -0.980 20 0 BBADLO COC[C@@H]1COCC[N@@H+]1CCn1cnnn1 ZINC000933327808 631259091 /nfs/dbraw/zinc/25/90/91/631259091.db2.gz SNEAIVSXGBYCTR-SECBINFHSA-N 1 2 227.268 -0.980 20 0 BBADLO COC[C@H]1COCC[N@H+]1CCn1cnnn1 ZINC000933327809 631260035 /nfs/dbraw/zinc/26/00/35/631260035.db2.gz SNEAIVSXGBYCTR-VIFPVBQESA-N 1 2 227.268 -0.980 20 0 BBADLO COC[C@H]1COCC[N@@H+]1CCn1cnnn1 ZINC000933327809 631260031 /nfs/dbraw/zinc/26/00/31/631260031.db2.gz SNEAIVSXGBYCTR-VIFPVBQESA-N 1 2 227.268 -0.980 20 0 BBADLO COC[C@H]1COCC[N@H+]1CCN1CCNC1=O ZINC000933327936 640703949 /nfs/dbraw/zinc/70/39/49/640703949.db2.gz BXKFEDJJTHWSSM-JTQLQIEISA-N 1 2 243.307 -0.641 20 0 BBADLO COC[C@H]1COCC[N@@H+]1CCN1CCNC1=O ZINC000933327936 640703942 /nfs/dbraw/zinc/70/39/42/640703942.db2.gz BXKFEDJJTHWSSM-JTQLQIEISA-N 1 2 243.307 -0.641 20 0 BBADLO COC[C@@H]1COCC[N@H+]1CCN1CCNC1=O ZINC000933327940 640705071 /nfs/dbraw/zinc/70/50/71/640705071.db2.gz BXKFEDJJTHWSSM-SNVBAGLBSA-N 1 2 243.307 -0.641 20 0 BBADLO COC[C@@H]1COCC[N@@H+]1CCN1CCNC1=O ZINC000933327940 640705068 /nfs/dbraw/zinc/70/50/68/640705068.db2.gz BXKFEDJJTHWSSM-SNVBAGLBSA-N 1 2 243.307 -0.641 20 0 BBADLO COC[C@@H]1COCC[N@H+]1CCc1cn(C)nn1 ZINC000933328215 631259735 /nfs/dbraw/zinc/25/97/35/631259735.db2.gz VQASPJIVBSRKCO-LLVKDONJSA-N 1 2 240.307 -0.295 20 0 BBADLO COC[C@@H]1COCC[N@@H+]1CCc1cn(C)nn1 ZINC000933328215 631259731 /nfs/dbraw/zinc/25/97/31/631259731.db2.gz VQASPJIVBSRKCO-LLVKDONJSA-N 1 2 240.307 -0.295 20 0 BBADLO COC[C@H]1COCC[N@H+]1CCc1cn(C)nn1 ZINC000933328219 631258038 /nfs/dbraw/zinc/25/80/38/631258038.db2.gz VQASPJIVBSRKCO-NSHDSACASA-N 1 2 240.307 -0.295 20 0 BBADLO COC[C@H]1COCC[N@@H+]1CCc1cn(C)nn1 ZINC000933328219 631258032 /nfs/dbraw/zinc/25/80/32/631258032.db2.gz VQASPJIVBSRKCO-NSHDSACASA-N 1 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ZINC000933331034 711520460 /nfs/dbraw/zinc/52/04/60/711520460.db2.gz KYQABUSIRNRHRT-UWVGGRQHSA-N 1 2 228.292 -0.388 20 0 BBADLO COC[C@H]1COCC[N@@H+]1C[C@@H]1CCC(=O)N1 ZINC000933331034 711520457 /nfs/dbraw/zinc/52/04/57/711520457.db2.gz KYQABUSIRNRHRT-UWVGGRQHSA-N 1 2 228.292 -0.388 20 0 BBADLO COC[C@@H]1COCC[N@H+]1C[C@@H]1CCC(=O)N1 ZINC000933331038 711520167 /nfs/dbraw/zinc/52/01/67/711520167.db2.gz KYQABUSIRNRHRT-VHSXEESVSA-N 1 2 228.292 -0.388 20 0 BBADLO COC[C@@H]1COCC[N@@H+]1C[C@@H]1CCC(=O)N1 ZINC000933331038 711520164 /nfs/dbraw/zinc/52/01/64/711520164.db2.gz KYQABUSIRNRHRT-VHSXEESVSA-N 1 2 228.292 -0.388 20 0 BBADLO COC[C@H]1COCC[N@H+]1CCn1cncn1 ZINC000933331239 631264731 /nfs/dbraw/zinc/26/47/31/631264731.db2.gz LTYIKJRDDGHLTN-JTQLQIEISA-N 1 2 226.280 -0.375 20 0 BBADLO COC[C@H]1COCC[N@@H+]1CCn1cncn1 ZINC000933331239 631264725 /nfs/dbraw/zinc/26/47/25/631264725.db2.gz LTYIKJRDDGHLTN-JTQLQIEISA-N 1 2 226.280 -0.375 20 0 BBADLO COC[C@@H]1COCC[N@H+]1CCn1cncn1 ZINC000933331246 631262469 /nfs/dbraw/zinc/26/24/69/631262469.db2.gz LTYIKJRDDGHLTN-SNVBAGLBSA-N 1 2 226.280 -0.375 20 0 BBADLO COC[C@@H]1COCC[N@@H+]1CCn1cncn1 ZINC000933331246 631262463 /nfs/dbraw/zinc/26/24/63/631262463.db2.gz LTYIKJRDDGHLTN-SNVBAGLBSA-N 1 2 226.280 -0.375 20 0 BBADLO COC[C@@H]1COCC[N@H+]1CC(OC)OC ZINC000933334470 631269765 /nfs/dbraw/zinc/26/97/65/631269765.db2.gz LXMOWIVDXHLDJC-SECBINFHSA-N 1 2 219.281 -0.048 20 0 BBADLO COC[C@@H]1COCC[N@@H+]1CC(OC)OC ZINC000933334470 631269760 /nfs/dbraw/zinc/26/97/60/631269760.db2.gz LXMOWIVDXHLDJC-SECBINFHSA-N 1 2 219.281 -0.048 20 0 BBADLO COC[C@H]1COCC[N@H+]1CC(OC)OC ZINC000933334474 631270012 /nfs/dbraw/zinc/27/00/12/631270012.db2.gz LXMOWIVDXHLDJC-VIFPVBQESA-N 1 2 219.281 -0.048 20 0 BBADLO COC[C@H]1COCC[N@@H+]1CC(OC)OC ZINC000933334474 631270008 /nfs/dbraw/zinc/27/00/08/631270008.db2.gz LXMOWIVDXHLDJC-VIFPVBQESA-N 1 2 219.281 -0.048 20 0 BBADLO COC[C@H]1COCC[N@H+]1C[C@@](C)(O)C(=O)OC ZINC000933337431 631282053 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ZINC000933337438 631281713 /nfs/dbraw/zinc/28/17/13/631281713.db2.gz VFCPRLBZRYVXNT-ONGXEEELSA-N 1 2 247.291 -0.742 20 0 BBADLO COC[C@H]1COCC[N@@H+]1C[C@](C)(O)C(=O)OC ZINC000933337438 631281711 /nfs/dbraw/zinc/28/17/11/631281711.db2.gz VFCPRLBZRYVXNT-ONGXEEELSA-N 1 2 247.291 -0.742 20 0 BBADLO COCCOCC[N@H+]1CCOC[C@H]1COC ZINC000933337923 640706976 /nfs/dbraw/zinc/70/69/76/640706976.db2.gz WTUDBQKILTXNGO-LLVKDONJSA-N 1 2 233.308 -0.003 20 0 BBADLO COCCOCC[N@@H+]1CCOC[C@H]1COC ZINC000933337923 640706975 /nfs/dbraw/zinc/70/69/75/640706975.db2.gz WTUDBQKILTXNGO-LLVKDONJSA-N 1 2 233.308 -0.003 20 0 BBADLO COCCOCC[N@H+]1CCOC[C@@H]1COC ZINC000933337924 640706833 /nfs/dbraw/zinc/70/68/33/640706833.db2.gz WTUDBQKILTXNGO-NSHDSACASA-N 1 2 233.308 -0.003 20 0 BBADLO COCCOCC[N@@H+]1CCOC[C@@H]1COC ZINC000933337924 640706830 /nfs/dbraw/zinc/70/68/30/640706830.db2.gz WTUDBQKILTXNGO-NSHDSACASA-N 1 2 233.308 -0.003 20 0 BBADLO COC[C@@H]1COCC[N@H+]1CCC(=O)OC ZINC000933339140 631286743 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C[C@@H](C[N@@H+]1CC[C@@H]1CO)S(C)(=O)=O ZINC000934017727 631613666 /nfs/dbraw/zinc/61/36/66/631613666.db2.gz HHMYDLVZQPWFGP-JGVFFNPUSA-N 1 2 207.295 -0.514 20 0 BBADLO C[C@H](C[N@H+]1CC[C@H]1CO)S(C)(=O)=O ZINC000934017728 631614482 /nfs/dbraw/zinc/61/44/82/631614482.db2.gz HHMYDLVZQPWFGP-SFYZADRCSA-N 1 2 207.295 -0.514 20 0 BBADLO C[C@H](C[N@@H+]1CC[C@H]1CO)S(C)(=O)=O ZINC000934017728 631614477 /nfs/dbraw/zinc/61/44/77/631614477.db2.gz HHMYDLVZQPWFGP-SFYZADRCSA-N 1 2 207.295 -0.514 20 0 BBADLO C[C@@H](C[N@H+]1CC[C@H]1CO)S(C)(=O)=O ZINC000934017729 631612891 /nfs/dbraw/zinc/61/28/91/631612891.db2.gz HHMYDLVZQPWFGP-YUMQZZPRSA-N 1 2 207.295 -0.514 20 0 BBADLO C[C@@H](C[N@@H+]1CC[C@H]1CO)S(C)(=O)=O ZINC000934017729 631612890 /nfs/dbraw/zinc/61/28/90/631612890.db2.gz HHMYDLVZQPWFGP-YUMQZZPRSA-N 1 2 207.295 -0.514 20 0 BBADLO CS(=O)(=O)CC1(C[N@H+]2CC[C@@H]2CO)CC1 ZINC000934018465 631617309 /nfs/dbraw/zinc/61/73/09/631617309.db2.gz XKTDKQMSIQCBKA-SECBINFHSA-N 1 2 233.333 -0.122 20 0 BBADLO 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O=C(C[N@H+]1CC[C@H]1CO)NCc1ccccn1 ZINC000934022986 631620451 /nfs/dbraw/zinc/62/04/51/631620451.db2.gz BUODHHIJGJYLST-NSHDSACASA-N 1 2 235.287 -0.236 20 0 BBADLO CCOC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H]1CO ZINC000934023003 631621700 /nfs/dbraw/zinc/62/17/00/631621700.db2.gz CAGHEFOBUVRWJC-SECBINFHSA-N 1 2 244.291 -0.926 20 0 BBADLO CCOC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H]1CO ZINC000934023003 631621697 /nfs/dbraw/zinc/62/16/97/631621697.db2.gz CAGHEFOBUVRWJC-SECBINFHSA-N 1 2 244.291 -0.926 20 0 BBADLO CCOC(=O)CN(C)C(=O)C[N@H+]1CC[C@H]1CO ZINC000934023008 631619920 /nfs/dbraw/zinc/61/99/20/631619920.db2.gz CAGHEFOBUVRWJC-VIFPVBQESA-N 1 2 244.291 -0.926 20 0 BBADLO CCOC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H]1CO ZINC000934023008 631619916 /nfs/dbraw/zinc/61/99/16/631619916.db2.gz CAGHEFOBUVRWJC-VIFPVBQESA-N 1 2 244.291 -0.926 20 0 BBADLO O=C(C[N@@H+]1CC[C@H]1CO)NCC1CCC1 ZINC000934024076 631623599 /nfs/dbraw/zinc/62/35/99/631623599.db2.gz OFKKRZHCGQFAJZ-JTQLQIEISA-N 1 2 212.293 -0.031 20 0 BBADLO 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237.307 -0.229 20 0 BBADLO CC(=O)N[C@@H](C)C1C[NH+](Cc2cnnn2C)C1 ZINC000969171008 643092525 /nfs/dbraw/zinc/09/25/25/643092525.db2.gz RHSYEXFOBXUJIP-QMMMGPOBSA-N 1 2 237.307 -0.229 20 0 BBADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C2CC2)C1 ZINC000969179779 643098688 /nfs/dbraw/zinc/09/86/88/643098688.db2.gz FTESHOCWNHMOMX-MRVPVSSYSA-N 1 2 239.319 -0.421 20 0 BBADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)C2CC2)C1 ZINC000969179780 643098243 /nfs/dbraw/zinc/09/82/43/643098243.db2.gz FTESHOCWNHMOMX-QMMMGPOBSA-N 1 2 239.319 -0.421 20 0 BBADLO C[C@@H](NC(=O)C1CC1)C1C[NH+](CC(N)=O)C1 ZINC000969181199 643097881 /nfs/dbraw/zinc/09/78/81/643097881.db2.gz XSYHSLSNIZSBEY-SSDOTTSWSA-N 1 2 225.292 -0.682 20 0 BBADLO C[C@H](NC(=O)C1CC1)C1C[NH+](CC(N)=O)C1 ZINC000969181200 643098595 /nfs/dbraw/zinc/09/85/95/643098595.db2.gz XSYHSLSNIZSBEY-ZETCQYMHSA-N 1 2 225.292 -0.682 20 0 BBADLO C[C@@H](NC(=O)C1CCC1)C1C[NH+](CC(N)=O)C1 ZINC000969186188 643101068 /nfs/dbraw/zinc/10/10/68/643101068.db2.gz 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ZINC001010405201 642862065 /nfs/dbraw/zinc/86/20/65/642862065.db2.gz TUHNRSRKXJGZTB-JTQLQIEISA-N 1 2 237.303 -0.372 20 0 BBADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC=CC2)C1 ZINC001010405202 642862748 /nfs/dbraw/zinc/86/27/48/642862748.db2.gz TUHNRSRKXJGZTB-SNVBAGLBSA-N 1 2 237.303 -0.372 20 0 BBADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC=CC2)C1 ZINC001010405202 642862744 /nfs/dbraw/zinc/86/27/44/642862744.db2.gz TUHNRSRKXJGZTB-SNVBAGLBSA-N 1 2 237.303 -0.372 20 0 BBADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CC2CCC2)C1 ZINC001010435178 642864762 /nfs/dbraw/zinc/86/47/62/642864762.db2.gz HLZCTOQHUPMIHG-JTQLQIEISA-N 1 2 239.319 -0.148 20 0 BBADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC2CCC2)C1 ZINC001010435178 642864759 /nfs/dbraw/zinc/86/47/59/642864759.db2.gz HLZCTOQHUPMIHG-JTQLQIEISA-N 1 2 239.319 -0.148 20 0 BBADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC2CCC2)C1 ZINC001010435180 642866038 /nfs/dbraw/zinc/86/60/38/642866038.db2.gz HLZCTOQHUPMIHG-SNVBAGLBSA-N 1 2 239.319 -0.148 20 0 BBADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC2CCC2)C1 ZINC001010435180 642866037 /nfs/dbraw/zinc/86/60/37/642866037.db2.gz HLZCTOQHUPMIHG-SNVBAGLBSA-N 1 2 239.319 -0.148 20 0 BBADLO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1)C1CC1 ZINC001010461339 642866276 /nfs/dbraw/zinc/86/62/76/642866276.db2.gz IYGJICVRACEQGJ-PSASIEDQSA-N 1 2 239.319 -0.292 20 0 BBADLO C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1)C1CC1 ZINC001010461339 642866272 /nfs/dbraw/zinc/86/62/72/642866272.db2.gz IYGJICVRACEQGJ-PSASIEDQSA-N 1 2 239.319 -0.292 20 0 BBADLO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1)C1CC1 ZINC001010461343 642866302 /nfs/dbraw/zinc/86/63/02/642866302.db2.gz IYGJICVRACEQGJ-SCZZXKLOSA-N 1 2 239.319 -0.292 20 0 BBADLO C[C@@H](C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1)C1CC1 ZINC001010461343 642866297 /nfs/dbraw/zinc/86/62/97/642866297.db2.gz IYGJICVRACEQGJ-SCZZXKLOSA-N 1 2 239.319 -0.292 20 0 BBADLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1)C1CC1 ZINC001010461347 642865701 /nfs/dbraw/zinc/86/57/01/642865701.db2.gz IYGJICVRACEQGJ-WCBMZHEXSA-N 1 2 239.319 -0.292 20 0 BBADLO C[C@H](C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1)C1CC1 ZINC001010461347 642865700 /nfs/dbraw/zinc/86/57/00/642865700.db2.gz IYGJICVRACEQGJ-WCBMZHEXSA-N 1 2 239.319 -0.292 20 0 BBADLO C[C@H](C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1)C1CC1 ZINC001010461349 642866337 /nfs/dbraw/zinc/86/63/37/642866337.db2.gz IYGJICVRACEQGJ-WPRPVWTQSA-N 1 2 239.319 -0.292 20 0 BBADLO C[C@H](C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1)C1CC1 ZINC001010461349 642866336 /nfs/dbraw/zinc/86/63/36/642866336.db2.gz IYGJICVRACEQGJ-WPRPVWTQSA-N 1 2 239.319 -0.292 20 0 BBADLO CC1CC(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001010503470 642867977 /nfs/dbraw/zinc/86/79/77/642867977.db2.gz PGGONOZJBKBODR-RTBKNWGFSA-N 1 2 239.319 -0.292 20 0 BBADLO CC1CC(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001010503470 642867975 /nfs/dbraw/zinc/86/79/75/642867975.db2.gz PGGONOZJBKBODR-RTBKNWGFSA-N 1 2 239.319 -0.292 20 0 BBADLO CC1CC(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001010503473 642867445 /nfs/dbraw/zinc/86/74/45/642867445.db2.gz PGGONOZJBKBODR-UDNWOFFPSA-N 1 2 239.319 -0.292 20 0 BBADLO CC1CC(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001010503473 642867440 /nfs/dbraw/zinc/86/74/40/642867440.db2.gz PGGONOZJBKBODR-UDNWOFFPSA-N 1 2 239.319 -0.292 20 0 BBADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C=C2CCC2)C1 ZINC001010523411 642867058 /nfs/dbraw/zinc/86/70/58/642867058.db2.gz JGCMSTRUOIGZIA-JTQLQIEISA-N 1 2 237.303 -0.228 20 0 BBADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C=C2CCC2)C1 ZINC001010523411 642867056 /nfs/dbraw/zinc/86/70/56/642867056.db2.gz JGCMSTRUOIGZIA-JTQLQIEISA-N 1 2 237.303 -0.228 20 0 BBADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C=C2CCC2)C1 ZINC001010523415 642867808 /nfs/dbraw/zinc/86/78/08/642867808.db2.gz JGCMSTRUOIGZIA-SNVBAGLBSA-N 1 2 237.303 -0.228 20 0 BBADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C=C2CCC2)C1 ZINC001010523415 642867803 /nfs/dbraw/zinc/86/78/03/642867803.db2.gz JGCMSTRUOIGZIA-SNVBAGLBSA-N 1 2 237.303 -0.228 20 0 BBADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C2=CCCC2)C1 ZINC001010535051 642867238 /nfs/dbraw/zinc/86/72/38/642867238.db2.gz BQMVHZMFNJRHRI-JTQLQIEISA-N 1 2 237.303 -0.228 20 0 BBADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2=CCCC2)C1 ZINC001010535051 642867235 /nfs/dbraw/zinc/86/72/35/642867235.db2.gz BQMVHZMFNJRHRI-JTQLQIEISA-N 1 2 237.303 -0.228 20 0 BBADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2=CCCC2)C1 ZINC001010535052 642867922 /nfs/dbraw/zinc/86/79/22/642867922.db2.gz BQMVHZMFNJRHRI-SNVBAGLBSA-N 1 2 237.303 -0.228 20 0 BBADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2=CCCC2)C1 ZINC001010535052 642867917 /nfs/dbraw/zinc/86/79/17/642867917.db2.gz BQMVHZMFNJRHRI-SNVBAGLBSA-N 1 2 237.303 -0.228 20 0 BBADLO CC1(C)C[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001010641244 642869648 /nfs/dbraw/zinc/86/96/48/642869648.db2.gz GRZDSRPPQJRDSC-BDAKNGLRSA-N 1 2 239.319 -0.292 20 0 BBADLO CC1(C)C[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001010641244 642869645 /nfs/dbraw/zinc/86/96/45/642869645.db2.gz GRZDSRPPQJRDSC-BDAKNGLRSA-N 1 2 239.319 -0.292 20 0 BBADLO CC1(C)C[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001010641246 642870885 /nfs/dbraw/zinc/87/08/85/642870885.db2.gz GRZDSRPPQJRDSC-DTWKUNHWSA-N 1 2 239.319 -0.292 20 0 BBADLO CC1(C)C[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001010641246 642870884 /nfs/dbraw/zinc/87/08/84/642870884.db2.gz GRZDSRPPQJRDSC-DTWKUNHWSA-N 1 2 239.319 -0.292 20 0 BBADLO CC1(C)C[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001010641249 642869908 /nfs/dbraw/zinc/86/99/08/642869908.db2.gz GRZDSRPPQJRDSC-IUCAKERBSA-N 1 2 239.319 -0.292 20 0 BBADLO CC1(C)C[C@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001010641249 642869906 /nfs/dbraw/zinc/86/99/06/642869906.db2.gz GRZDSRPPQJRDSC-IUCAKERBSA-N 1 2 239.319 -0.292 20 0 BBADLO CC1(C)C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001010641252 642870744 /nfs/dbraw/zinc/87/07/44/642870744.db2.gz GRZDSRPPQJRDSC-RKDXNWHRSA-N 1 2 239.319 -0.292 20 0 BBADLO CC1(C)C[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001010641252 642870741 /nfs/dbraw/zinc/87/07/41/642870741.db2.gz GRZDSRPPQJRDSC-RKDXNWHRSA-N 1 2 239.319 -0.292 20 0 BBADLO Cn1nncc1C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001010832214 642875200 /nfs/dbraw/zinc/87/52/00/642875200.db2.gz UVUJTVNJRNRESD-MRVPVSSYSA-N 1 2 241.270 -0.411 20 0 BBADLO Cn1nncc1C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001010832214 642875196 /nfs/dbraw/zinc/87/51/96/642875196.db2.gz UVUJTVNJRNRESD-MRVPVSSYSA-N 1 2 241.270 -0.411 20 0 BBADLO Cn1nncc1C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001010832220 642876312 /nfs/dbraw/zinc/87/63/12/642876312.db2.gz UVUJTVNJRNRESD-QMMMGPOBSA-N 1 2 241.270 -0.411 20 0 BBADLO Cn1nncc1C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001010832220 642876310 /nfs/dbraw/zinc/87/63/10/642876310.db2.gz UVUJTVNJRNRESD-QMMMGPOBSA-N 1 2 241.270 -0.411 20 0 BBADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)[C@H]1COC(=O)N1 ZINC001010835296 642876177 /nfs/dbraw/zinc/87/61/77/642876177.db2.gz UBVZAHSNDZWFKD-HTQZYQBOSA-N 1 2 245.254 -0.745 20 0 BBADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)[C@H]1COC(=O)N1 ZINC001010835296 642876172 /nfs/dbraw/zinc/87/61/72/642876172.db2.gz UBVZAHSNDZWFKD-HTQZYQBOSA-N 1 2 245.254 -0.745 20 0 BBADLO O=C(N[C@H]1CC[N@H+](CCF)C1)[C@H]1COC(=O)N1 ZINC001010835298 642875732 /nfs/dbraw/zinc/87/57/32/642875732.db2.gz UBVZAHSNDZWFKD-JGVFFNPUSA-N 1 2 245.254 -0.745 20 0 BBADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)[C@H]1COC(=O)N1 ZINC001010835298 642875729 /nfs/dbraw/zinc/87/57/29/642875729.db2.gz UBVZAHSNDZWFKD-JGVFFNPUSA-N 1 2 245.254 -0.745 20 0 BBADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)[C@@H]1COC(=O)N1 ZINC001010835299 642874511 /nfs/dbraw/zinc/87/45/11/642874511.db2.gz UBVZAHSNDZWFKD-SFYZADRCSA-N 1 2 245.254 -0.745 20 0 BBADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)[C@@H]1COC(=O)N1 ZINC001010835299 642874508 /nfs/dbraw/zinc/87/45/08/642874508.db2.gz UBVZAHSNDZWFKD-SFYZADRCSA-N 1 2 245.254 -0.745 20 0 BBADLO O=C(N[C@H]1CC[N@H+](CCF)C1)[C@@H]1COC(=O)N1 ZINC001010835301 642871998 /nfs/dbraw/zinc/87/19/98/642871998.db2.gz UBVZAHSNDZWFKD-YUMQZZPRSA-N 1 2 245.254 -0.745 20 0 BBADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)[C@@H]1COC(=O)N1 ZINC001010835301 642871993 /nfs/dbraw/zinc/87/19/93/642871993.db2.gz UBVZAHSNDZWFKD-YUMQZZPRSA-N 1 2 245.254 -0.745 20 0 BBADLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)nn1 ZINC001010860857 642875358 /nfs/dbraw/zinc/87/53/58/642875358.db2.gz LDUDEFOJQPJUFH-MRVPVSSYSA-N 1 2 241.270 -0.411 20 0 BBADLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCF)C2)nn1 ZINC001010860857 642875356 /nfs/dbraw/zinc/87/53/56/642875356.db2.gz LDUDEFOJQPJUFH-MRVPVSSYSA-N 1 2 241.270 -0.411 20 0 BBADLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCF)C2)nn1 ZINC001010860861 642874396 /nfs/dbraw/zinc/87/43/96/642874396.db2.gz LDUDEFOJQPJUFH-QMMMGPOBSA-N 1 2 241.270 -0.411 20 0 BBADLO Cn1cc(C(=O)N[C@H]2CC[N@H+](CCF)C2)nn1 ZINC001010860861 642874393 /nfs/dbraw/zinc/87/43/93/642874393.db2.gz LDUDEFOJQPJUFH-QMMMGPOBSA-N 1 2 241.270 -0.411 20 0 BBADLO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)n1 ZINC001010880606 642875900 /nfs/dbraw/zinc/87/59/00/642875900.db2.gz NRDRQXKVYWZIFS-MRVPVSSYSA-N 1 2 241.270 -0.411 20 0 BBADLO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](CCF)C2)n1 ZINC001010880606 642875898 /nfs/dbraw/zinc/87/58/98/642875898.db2.gz NRDRQXKVYWZIFS-MRVPVSSYSA-N 1 2 241.270 -0.411 20 0 BBADLO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CCF)C2)n1 ZINC001010880607 642874344 /nfs/dbraw/zinc/87/43/44/642874344.db2.gz NRDRQXKVYWZIFS-QMMMGPOBSA-N 1 2 241.270 -0.411 20 0 BBADLO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CCF)C2)n1 ZINC001010880607 642874340 /nfs/dbraw/zinc/87/43/40/642874340.db2.gz NRDRQXKVYWZIFS-QMMMGPOBSA-N 1 2 241.270 -0.411 20 0 BBADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC001014384463 642889181 /nfs/dbraw/zinc/88/91/81/642889181.db2.gz PFDMLHWABUWLHQ-BQBZGAKWSA-N 1 2 247.245 -0.683 20 0 BBADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC001014384463 642889176 /nfs/dbraw/zinc/88/91/76/642889176.db2.gz PFDMLHWABUWLHQ-BQBZGAKWSA-N 1 2 247.245 -0.683 20 0 BBADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC001014384464 642889340 /nfs/dbraw/zinc/88/93/40/642889340.db2.gz PFDMLHWABUWLHQ-NKWVEPMBSA-N 1 2 247.245 -0.683 20 0 BBADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC001014384464 642889339 /nfs/dbraw/zinc/88/93/39/642889339.db2.gz PFDMLHWABUWLHQ-NKWVEPMBSA-N 1 2 247.245 -0.683 20 0 BBADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC001014384465 642887889 /nfs/dbraw/zinc/88/78/89/642887889.db2.gz PFDMLHWABUWLHQ-RNFRBKRXSA-N 1 2 247.245 -0.683 20 0 BBADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC001014384465 642887883 /nfs/dbraw/zinc/88/78/83/642887883.db2.gz PFDMLHWABUWLHQ-RNFRBKRXSA-N 1 2 247.245 -0.683 20 0 BBADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC001014384466 642888519 /nfs/dbraw/zinc/88/85/19/642888519.db2.gz PFDMLHWABUWLHQ-RQJHMYQMSA-N 1 2 247.245 -0.683 20 0 BBADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC001014384466 642888517 /nfs/dbraw/zinc/88/85/17/642888517.db2.gz PFDMLHWABUWLHQ-RQJHMYQMSA-N 1 2 247.245 -0.683 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C2(C)CC2)C1 ZINC001014515949 642891961 /nfs/dbraw/zinc/89/19/61/642891961.db2.gz ONRKKWIEFHQNDG-BDAKNGLRSA-N 1 2 239.319 -0.149 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C2(C)CC2)C1 ZINC001014515949 642891957 /nfs/dbraw/zinc/89/19/57/642891957.db2.gz ONRKKWIEFHQNDG-BDAKNGLRSA-N 1 2 239.319 -0.149 20 0 BBADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C2(C)CC2)C1 ZINC001014515953 642892354 /nfs/dbraw/zinc/89/23/54/642892354.db2.gz ONRKKWIEFHQNDG-DTWKUNHWSA-N 1 2 239.319 -0.149 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C2(C)CC2)C1 ZINC001014515953 642892351 /nfs/dbraw/zinc/89/23/51/642892351.db2.gz ONRKKWIEFHQNDG-DTWKUNHWSA-N 1 2 239.319 -0.149 20 0 BBADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C2(C)CC2)C1 ZINC001014515955 642891121 /nfs/dbraw/zinc/89/11/21/642891121.db2.gz ONRKKWIEFHQNDG-IUCAKERBSA-N 1 2 239.319 -0.149 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C2(C)CC2)C1 ZINC001014515955 642891117 /nfs/dbraw/zinc/89/11/17/642891117.db2.gz ONRKKWIEFHQNDG-IUCAKERBSA-N 1 2 239.319 -0.149 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C2(C)CC2)C1 ZINC001014515958 642891626 /nfs/dbraw/zinc/89/16/26/642891626.db2.gz ONRKKWIEFHQNDG-RKDXNWHRSA-N 1 2 239.319 -0.149 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C2(C)CC2)C1 ZINC001014515958 642891618 /nfs/dbraw/zinc/89/16/18/642891618.db2.gz ONRKKWIEFHQNDG-RKDXNWHRSA-N 1 2 239.319 -0.149 20 0 BBADLO CC1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001014526969 642892699 /nfs/dbraw/zinc/89/26/99/642892699.db2.gz VOMJAGADTCSKIO-MRVPVSSYSA-N 1 2 225.292 -0.538 20 0 BBADLO CC1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001014526969 642892695 /nfs/dbraw/zinc/89/26/95/642892695.db2.gz VOMJAGADTCSKIO-MRVPVSSYSA-N 1 2 225.292 -0.538 20 0 BBADLO CC1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001014526973 642892115 /nfs/dbraw/zinc/89/21/15/642892115.db2.gz VOMJAGADTCSKIO-QMMMGPOBSA-N 1 2 225.292 -0.538 20 0 BBADLO CC1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001014526973 642892112 /nfs/dbraw/zinc/89/21/12/642892112.db2.gz VOMJAGADTCSKIO-QMMMGPOBSA-N 1 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LCGIFLYRLHMIQR-MRVPVSSYSA-N 1 2 241.270 -0.113 20 0 BBADLO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001015479586 642902194 /nfs/dbraw/zinc/90/21/94/642902194.db2.gz LCGIFLYRLHMIQR-QMMMGPOBSA-N 1 2 241.270 -0.113 20 0 BBADLO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001015479586 642902188 /nfs/dbraw/zinc/90/21/88/642902188.db2.gz LCGIFLYRLHMIQR-QMMMGPOBSA-N 1 2 241.270 -0.113 20 0 BBADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001015524309 642902149 /nfs/dbraw/zinc/90/21/49/642902149.db2.gz UNGLTBKTPBUDQY-KXUCPTDWSA-N 1 2 239.319 -0.421 20 0 BBADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001015524309 642902136 /nfs/dbraw/zinc/90/21/36/642902136.db2.gz UNGLTBKTPBUDQY-KXUCPTDWSA-N 1 2 239.319 -0.421 20 0 BBADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001015524310 642901799 /nfs/dbraw/zinc/90/17/99/642901799.db2.gz UNGLTBKTPBUDQY-OPRDCNLKSA-N 1 2 239.319 -0.421 20 0 BBADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001015524310 642901795 /nfs/dbraw/zinc/90/17/95/642901795.db2.gz UNGLTBKTPBUDQY-OPRDCNLKSA-N 1 2 239.319 -0.421 20 0 BBADLO C[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015529308 641733690 /nfs/dbraw/zinc/73/36/90/641733690.db2.gz LOYTZSFFHXAART-HRDYMLBCSA-N 1 2 225.292 -0.682 20 0 BBADLO C[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001015529308 641733687 /nfs/dbraw/zinc/73/36/87/641733687.db2.gz LOYTZSFFHXAART-HRDYMLBCSA-N 1 2 225.292 -0.682 20 0 BBADLO C[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015529309 641733030 /nfs/dbraw/zinc/73/30/30/641733030.db2.gz LOYTZSFFHXAART-IWSPIJDZSA-N 1 2 225.292 -0.682 20 0 BBADLO C[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001015529309 641733027 /nfs/dbraw/zinc/73/30/27/641733027.db2.gz LOYTZSFFHXAART-IWSPIJDZSA-N 1 2 225.292 -0.682 20 0 BBADLO CC1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CCC1 ZINC001015531046 642908260 /nfs/dbraw/zinc/90/82/60/642908260.db2.gz YOLOWEQSNNWOEH-SECBINFHSA-N 1 2 239.319 -0.148 20 0 BBADLO CC1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CCC1 ZINC001015531046 642908244 /nfs/dbraw/zinc/90/82/44/642908244.db2.gz YOLOWEQSNNWOEH-SECBINFHSA-N 1 2 239.319 -0.148 20 0 BBADLO CC1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CCC1 ZINC001015531047 642905659 /nfs/dbraw/zinc/90/56/59/642905659.db2.gz YOLOWEQSNNWOEH-VIFPVBQESA-N 1 2 239.319 -0.148 20 0 BBADLO CC1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CCC1 ZINC001015531047 642905646 /nfs/dbraw/zinc/90/56/46/642905646.db2.gz YOLOWEQSNNWOEH-VIFPVBQESA-N 1 2 239.319 -0.148 20 0 BBADLO C[C@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015545356 642908787 /nfs/dbraw/zinc/90/87/87/642908787.db2.gz LOYTZSFFHXAART-CIUDSAMLSA-N 1 2 225.292 -0.682 20 0 BBADLO C[C@H]1C[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001015545356 642908776 /nfs/dbraw/zinc/90/87/76/642908776.db2.gz LOYTZSFFHXAART-CIUDSAMLSA-N 1 2 225.292 -0.682 20 0 BBADLO C[C@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015545357 642907594 /nfs/dbraw/zinc/90/75/94/642907594.db2.gz 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642913631 /nfs/dbraw/zinc/91/36/31/642913631.db2.gz WQFXABFXGTXNGY-JTQLQIEISA-N 1 2 248.286 -0.743 20 0 BBADLO NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001015637975 642913627 /nfs/dbraw/zinc/91/36/27/642913627.db2.gz WQFXABFXGTXNGY-JTQLQIEISA-N 1 2 248.286 -0.743 20 0 BBADLO NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001015637976 642914759 /nfs/dbraw/zinc/91/47/59/642914759.db2.gz WQFXABFXGTXNGY-SNVBAGLBSA-N 1 2 248.286 -0.743 20 0 BBADLO NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001015637976 642914748 /nfs/dbraw/zinc/91/47/48/642914748.db2.gz WQFXABFXGTXNGY-SNVBAGLBSA-N 1 2 248.286 -0.743 20 0 BBADLO NC(=O)C(=O)N[C@@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001015642295 642920547 /nfs/dbraw/zinc/92/05/47/642920547.db2.gz TWHMGWVLDSLCJK-BYXPXVBTSA-N 1 2 231.683 -0.585 20 0 BBADLO NC(=O)C(=O)N[C@@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001015642295 642920536 /nfs/dbraw/zinc/92/05/36/642920536.db2.gz TWHMGWVLDSLCJK-BYXPXVBTSA-N 1 2 231.683 -0.585 20 0 BBADLO NC(=O)C(=O)N[C@@H]1CC[N@@H+](C/C=C/Cl)C1 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/nfs/dbraw/zinc/92/99/97/642929997.db2.gz UOSHUTCZUDZTNO-DTWKUNHWSA-N 1 2 237.303 -0.538 20 0 BBADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001015752511 642922685 /nfs/dbraw/zinc/92/26/85/642922685.db2.gz UOSHUTCZUDZTNO-IUCAKERBSA-N 1 2 237.303 -0.538 20 0 BBADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001015752511 642922678 /nfs/dbraw/zinc/92/26/78/642922678.db2.gz UOSHUTCZUDZTNO-IUCAKERBSA-N 1 2 237.303 -0.538 20 0 BBADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001015752512 642923700 /nfs/dbraw/zinc/92/37/00/642923700.db2.gz UOSHUTCZUDZTNO-RKDXNWHRSA-N 1 2 237.303 -0.538 20 0 BBADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001015752512 642923698 /nfs/dbraw/zinc/92/36/98/642923698.db2.gz UOSHUTCZUDZTNO-RKDXNWHRSA-N 1 2 237.303 -0.538 20 0 BBADLO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)n1 ZINC001015843222 642707747 /nfs/dbraw/zinc/70/77/47/642707747.db2.gz XOZFNPXXHXAAFJ-MRVPVSSYSA-N 1 2 241.270 -0.411 20 0 BBADLO Cn1ncc(C(=O)N[C@@H]2CC[N@H+](CCF)C2)n1 ZINC001015843222 642707742 /nfs/dbraw/zinc/70/77/42/642707742.db2.gz XOZFNPXXHXAAFJ-MRVPVSSYSA-N 1 2 241.270 -0.411 20 0 BBADLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](CCF)C2)n1 ZINC001015843223 642706865 /nfs/dbraw/zinc/70/68/65/642706865.db2.gz XOZFNPXXHXAAFJ-QMMMGPOBSA-N 1 2 241.270 -0.411 20 0 BBADLO Cn1ncc(C(=O)N[C@H]2CC[N@H+](CCF)C2)n1 ZINC001015843223 642706856 /nfs/dbraw/zinc/70/68/56/642706856.db2.gz XOZFNPXXHXAAFJ-QMMMGPOBSA-N 1 2 241.270 -0.411 20 0 BBADLO O=C(N[C@@H]1CC[N@H+](CCCF)C1)c1nc[nH]n1 ZINC001015872268 642936569 /nfs/dbraw/zinc/93/65/69/642936569.db2.gz FUXLXUOGMFZPDV-MRVPVSSYSA-N 1 2 241.270 -0.032 20 0 BBADLO O=C(N[C@@H]1CC[N@@H+](CCCF)C1)c1nc[nH]n1 ZINC001015872268 642936565 /nfs/dbraw/zinc/93/65/65/642936565.db2.gz FUXLXUOGMFZPDV-MRVPVSSYSA-N 1 2 241.270 -0.032 20 0 BBADLO O=C(N[C@H]1CC[N@H+](CCCF)C1)c1nc[nH]n1 ZINC001015872270 642934473 /nfs/dbraw/zinc/93/44/73/642934473.db2.gz FUXLXUOGMFZPDV-QMMMGPOBSA-N 1 2 241.270 -0.032 20 0 BBADLO O=C(N[C@H]1CC[N@@H+](CCCF)C1)c1nc[nH]n1 ZINC001015872270 642934467 /nfs/dbraw/zinc/93/44/67/642934467.db2.gz FUXLXUOGMFZPDV-QMMMGPOBSA-N 1 2 241.270 -0.032 20 0 BBADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)c1cnon1 ZINC001015875672 643188616 /nfs/dbraw/zinc/18/86/16/643188616.db2.gz ACZAIHARDJPFFP-SSDOTTSWSA-N 1 2 228.227 -0.157 20 0 BBADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)c1cnon1 ZINC001015875672 643188612 /nfs/dbraw/zinc/18/86/12/643188612.db2.gz ACZAIHARDJPFFP-SSDOTTSWSA-N 1 2 228.227 -0.157 20 0 BBADLO O=C(N[C@H]1CC[N@H+](CCF)C1)c1cnon1 ZINC001015875673 643187244 /nfs/dbraw/zinc/18/72/44/643187244.db2.gz ACZAIHARDJPFFP-ZETCQYMHSA-N 1 2 228.227 -0.157 20 0 BBADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)c1cnon1 ZINC001015875673 643187241 /nfs/dbraw/zinc/18/72/41/643187241.db2.gz ACZAIHARDJPFFP-ZETCQYMHSA-N 1 2 228.227 -0.157 20 0 BBADLO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@H+](CCF)C1 ZINC001015967853 642943698 /nfs/dbraw/zinc/94/36/98/642943698.db2.gz NSSSWOOTBYDKEY-MRVPVSSYSA-N 1 2 241.270 -0.493 20 0 BBADLO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001015967853 642943690 /nfs/dbraw/zinc/94/36/90/642943690.db2.gz NSSSWOOTBYDKEY-MRVPVSSYSA-N 1 2 241.270 -0.493 20 0 BBADLO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@H+](CCF)C1 ZINC001015967855 642940975 /nfs/dbraw/zinc/94/09/75/642940975.db2.gz NSSSWOOTBYDKEY-QMMMGPOBSA-N 1 2 241.270 -0.493 20 0 BBADLO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@@H+](CCF)C1 ZINC001015967855 642940965 /nfs/dbraw/zinc/94/09/65/642940965.db2.gz NSSSWOOTBYDKEY-QMMMGPOBSA-N 1 2 241.270 -0.493 20 0 BBADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)[C@@H]1CCC(=O)N1 ZINC001016029234 642948200 /nfs/dbraw/zinc/94/82/00/642948200.db2.gz DXUUHUIAOUYGHH-BDAKNGLRSA-N 1 2 243.282 -0.575 20 0 BBADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)[C@@H]1CCC(=O)N1 ZINC001016029234 642948190 /nfs/dbraw/zinc/94/81/90/642948190.db2.gz DXUUHUIAOUYGHH-BDAKNGLRSA-N 1 2 243.282 -0.575 20 0 BBADLO O=C(N[C@H]1CC[N@H+](CCF)C1)[C@@H]1CCC(=O)N1 ZINC001016029235 642946562 /nfs/dbraw/zinc/94/65/62/642946562.db2.gz DXUUHUIAOUYGHH-IUCAKERBSA-N 1 2 243.282 -0.575 20 0 BBADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)[C@@H]1CCC(=O)N1 ZINC001016029235 642946559 /nfs/dbraw/zinc/94/65/59/642946559.db2.gz DXUUHUIAOUYGHH-IUCAKERBSA-N 1 2 243.282 -0.575 20 0 BBADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001016056591 642949845 /nfs/dbraw/zinc/94/98/45/642949845.db2.gz PZZQETJHHSMGQE-SECBINFHSA-N 1 2 241.335 -0.031 20 0 BBADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001016056591 642949838 /nfs/dbraw/zinc/94/98/38/642949838.db2.gz PZZQETJHHSMGQE-SECBINFHSA-N 1 2 241.335 -0.031 20 0 BBADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C)C1 ZINC001016056593 642945647 /nfs/dbraw/zinc/94/56/47/642945647.db2.gz PZZQETJHHSMGQE-VIFPVBQESA-N 1 2 241.335 -0.031 20 0 BBADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C)C1 ZINC001016056593 642945639 /nfs/dbraw/zinc/94/56/39/642945639.db2.gz PZZQETJHHSMGQE-VIFPVBQESA-N 1 2 241.335 -0.031 20 0 BBADLO CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001016062054 642949129 /nfs/dbraw/zinc/94/91/29/642949129.db2.gz BXCNMSJAJUMRGL-MRVPVSSYSA-N 1 2 227.308 -0.292 20 0 BBADLO CC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001016062054 642949124 /nfs/dbraw/zinc/94/91/24/642949124.db2.gz BXCNMSJAJUMRGL-MRVPVSSYSA-N 1 2 227.308 -0.292 20 0 BBADLO CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001016062055 642945789 /nfs/dbraw/zinc/94/57/89/642945789.db2.gz BXCNMSJAJUMRGL-QMMMGPOBSA-N 1 2 227.308 -0.292 20 0 BBADLO CC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001016062055 642945776 /nfs/dbraw/zinc/94/57/76/642945776.db2.gz BXCNMSJAJUMRGL-QMMMGPOBSA-N 1 2 227.308 -0.292 20 0 BBADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(C)=O ZINC001017280239 712814227 /nfs/dbraw/zinc/81/42/27/712814227.db2.gz XFLCIQYOMRYEAS-IEBDPFPHSA-N 1 2 239.319 -0.184 20 0 BBADLO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(C)=O ZINC001017280239 712814226 /nfs/dbraw/zinc/81/42/26/712814226.db2.gz XFLCIQYOMRYEAS-IEBDPFPHSA-N 1 2 239.319 -0.184 20 0 BBADLO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(C)=O ZINC001017280240 712814435 /nfs/dbraw/zinc/81/44/35/712814435.db2.gz XFLCIQYOMRYEAS-INTQDDNPSA-N 1 2 239.319 -0.184 20 0 BBADLO CNC(=O)[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(C)=O ZINC001017280240 712814434 /nfs/dbraw/zinc/81/44/34/712814434.db2.gz XFLCIQYOMRYEAS-INTQDDNPSA-N 1 2 239.319 -0.184 20 0 BBADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(C)=O ZINC001017282190 644616437 /nfs/dbraw/zinc/61/64/37/644616437.db2.gz XBJSPYBHXOIDKZ-AXFHLTTASA-N 1 2 239.319 -0.055 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(C)=O ZINC001017282190 644616434 /nfs/dbraw/zinc/61/64/34/644616434.db2.gz XBJSPYBHXOIDKZ-AXFHLTTASA-N 1 2 239.319 -0.055 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(C)=O ZINC001017282191 644616191 /nfs/dbraw/zinc/61/61/91/644616191.db2.gz XBJSPYBHXOIDKZ-OUAUKWLOSA-N 1 2 239.319 -0.055 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(C)=O ZINC001017282191 644616190 /nfs/dbraw/zinc/61/61/90/644616190.db2.gz XBJSPYBHXOIDKZ-OUAUKWLOSA-N 1 2 239.319 -0.055 20 0 BBADLO CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001019899633 643042436 /nfs/dbraw/zinc/04/24/36/643042436.db2.gz LUKGVPDXWRBVGS-ZKCHVHJHSA-N 1 2 238.295 -0.643 20 0 BBADLO CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001021743141 641183486 /nfs/dbraw/zinc/18/34/86/641183486.db2.gz LUKGVPDXWRBVGS-OCAPTIKFSA-N 1 2 238.295 -0.643 20 0 BBADLO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)C1CC1 ZINC001024292721 632728743 /nfs/dbraw/zinc/72/87/43/632728743.db2.gz JTDWVGOSIVSGTH-JTQLQIEISA-N 1 2 239.319 -0.148 20 0 BBADLO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)C1CC1 ZINC001024292721 632728740 /nfs/dbraw/zinc/72/87/40/632728740.db2.gz JTDWVGOSIVSGTH-JTQLQIEISA-N 1 2 239.319 -0.148 20 0 BBADLO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CC1 ZINC001024292722 632729313 /nfs/dbraw/zinc/72/93/13/632729313.db2.gz JTDWVGOSIVSGTH-SNVBAGLBSA-N 1 2 239.319 -0.148 20 0 BBADLO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC1 ZINC001024292722 632729311 /nfs/dbraw/zinc/72/93/11/632729311.db2.gz JTDWVGOSIVSGTH-SNVBAGLBSA-N 1 2 239.319 -0.148 20 0 BBADLO CC(=O)NC[C@@H]1CCC[N@H+]1CCS(C)(=O)=O ZINC001027710126 635119659 /nfs/dbraw/zinc/11/96/59/635119659.db2.gz LKRJVWBKHORKAP-JTQLQIEISA-N 1 2 248.348 -0.369 20 0 BBADLO CC(=O)NC[C@@H]1CCC[N@@H+]1CCS(C)(=O)=O ZINC001027710126 635119658 /nfs/dbraw/zinc/11/96/58/635119658.db2.gz LKRJVWBKHORKAP-JTQLQIEISA-N 1 2 248.348 -0.369 20 0 BBADLO CC(=O)NC[C@H]1CCC[N@H+]1CCS(C)(=O)=O ZINC001027710127 635119444 /nfs/dbraw/zinc/11/94/44/635119444.db2.gz LKRJVWBKHORKAP-SNVBAGLBSA-N 1 2 248.348 -0.369 20 0 BBADLO CC(=O)NC[C@H]1CCC[N@@H+]1CCS(C)(=O)=O ZINC001027710127 635119439 /nfs/dbraw/zinc/11/94/39/635119439.db2.gz LKRJVWBKHORKAP-SNVBAGLBSA-N 1 2 248.348 -0.369 20 0 BBADLO CC(=O)NC[C@H]1CCC[N@@H+]1Cc1cn(C)nn1 ZINC001027711453 635123613 /nfs/dbraw/zinc/12/36/13/635123613.db2.gz NCNJSOUBBATGMR-LLVKDONJSA-N 1 2 237.307 -0.084 20 0 BBADLO CC(=O)NC[C@H]1CCC[N@H+]1Cc1cn(C)nn1 ZINC001027711453 635123610 /nfs/dbraw/zinc/12/36/10/635123610.db2.gz NCNJSOUBBATGMR-LLVKDONJSA-N 1 2 237.307 -0.084 20 0 BBADLO CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cn(C)nn1 ZINC001027711454 635123813 /nfs/dbraw/zinc/12/38/13/635123813.db2.gz NCNJSOUBBATGMR-NSHDSACASA-N 1 2 237.307 -0.084 20 0 BBADLO CC(=O)NC[C@@H]1CCC[N@H+]1Cc1cn(C)nn1 ZINC001027711454 635123807 /nfs/dbraw/zinc/12/38/07/635123807.db2.gz NCNJSOUBBATGMR-NSHDSACASA-N 1 2 237.307 -0.084 20 0 BBADLO O=C(NC[C@H]1CCC[N@@H+]1CCF)c1cn[nH]n1 ZINC001027992093 635284616 /nfs/dbraw/zinc/28/46/16/635284616.db2.gz PDXIUXQNDBNTKM-MRVPVSSYSA-N 1 2 241.270 -0.032 20 0 BBADLO O=C(NC[C@H]1CCC[N@H+]1CCF)c1cn[nH]n1 ZINC001027992093 635284608 /nfs/dbraw/zinc/28/46/08/635284608.db2.gz PDXIUXQNDBNTKM-MRVPVSSYSA-N 1 2 241.270 -0.032 20 0 BBADLO O=C(NC[C@@H]1CCC[N@@H+]1CCF)c1cn[nH]n1 ZINC001027992094 635284734 /nfs/dbraw/zinc/28/47/34/635284734.db2.gz PDXIUXQNDBNTKM-QMMMGPOBSA-N 1 2 241.270 -0.032 20 0 BBADLO O=C(NC[C@@H]1CCC[N@H+]1CCF)c1cn[nH]n1 ZINC001027992094 635284725 /nfs/dbraw/zinc/28/47/25/635284725.db2.gz PDXIUXQNDBNTKM-QMMMGPOBSA-N 1 2 241.270 -0.032 20 0 BBADLO O=C(NC[C@H]1CCC[N@@H+]1CCF)c1nnc[nH]1 ZINC001028211660 711759900 /nfs/dbraw/zinc/75/99/00/711759900.db2.gz SYYXSDYRBBXUNM-MRVPVSSYSA-N 1 2 241.270 -0.032 20 0 BBADLO O=C(NC[C@H]1CCC[N@H+]1CCF)c1nnc[nH]1 ZINC001028211660 711759899 /nfs/dbraw/zinc/75/98/99/711759899.db2.gz SYYXSDYRBBXUNM-MRVPVSSYSA-N 1 2 241.270 -0.032 20 0 BBADLO O=C(NC[C@@H]1CCC[N@@H+]1CCF)c1nnc[nH]1 ZINC001028211661 711759948 /nfs/dbraw/zinc/75/99/48/711759948.db2.gz SYYXSDYRBBXUNM-QMMMGPOBSA-N 1 2 241.270 -0.032 20 0 BBADLO O=C(NC[C@@H]1CCC[N@H+]1CCF)c1nnc[nH]1 ZINC001028211661 711759947 /nfs/dbraw/zinc/75/99/47/711759947.db2.gz SYYXSDYRBBXUNM-QMMMGPOBSA-N 1 2 241.270 -0.032 20 0 BBADLO CC(=O)NC[C@H]1CC[N@H+](Cc2nnnn2C)C1 ZINC001028360198 711763583 /nfs/dbraw/zinc/76/35/83/711763583.db2.gz CFVMXYMZIHIOAS-SECBINFHSA-N 1 2 238.295 -0.832 20 0 BBADLO CC(=O)NC[C@H]1CC[N@@H+](Cc2nnnn2C)C1 ZINC001028360198 711763581 /nfs/dbraw/zinc/76/35/81/711763581.db2.gz CFVMXYMZIHIOAS-SECBINFHSA-N 1 2 238.295 -0.832 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@H+](Cc2nnnn2C)C1 ZINC001028360199 711763638 /nfs/dbraw/zinc/76/36/38/711763638.db2.gz CFVMXYMZIHIOAS-VIFPVBQESA-N 1 2 238.295 -0.832 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@@H+](Cc2nnnn2C)C1 ZINC001028360199 711763637 /nfs/dbraw/zinc/76/36/37/711763637.db2.gz CFVMXYMZIHIOAS-VIFPVBQESA-N 1 2 238.295 -0.832 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@H+](Cc2cnn(C)n2)C1 ZINC001028360750 711763611 /nfs/dbraw/zinc/76/36/11/711763611.db2.gz KNLXMCPOVTVRIQ-JTQLQIEISA-N 1 2 237.307 -0.227 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@@H+](Cc2cnn(C)n2)C1 ZINC001028360750 711763610 /nfs/dbraw/zinc/76/36/10/711763610.db2.gz KNLXMCPOVTVRIQ-JTQLQIEISA-N 1 2 237.307 -0.227 20 0 BBADLO CC(=O)NC[C@H]1CC[N@H+](Cc2cnn(C)n2)C1 ZINC001028360751 711763739 /nfs/dbraw/zinc/76/37/39/711763739.db2.gz KNLXMCPOVTVRIQ-SNVBAGLBSA-N 1 2 237.307 -0.227 20 0 BBADLO CC(=O)NC[C@H]1CC[N@@H+](Cc2cnn(C)n2)C1 ZINC001028360751 711763737 /nfs/dbraw/zinc/76/37/37/711763737.db2.gz KNLXMCPOVTVRIQ-SNVBAGLBSA-N 1 2 237.307 -0.227 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@H+](Cc2ncnn2C)C1 ZINC001028360978 635657792 /nfs/dbraw/zinc/65/77/92/635657792.db2.gz PEBNPFIVHYKFIJ-JTQLQIEISA-N 1 2 237.307 -0.227 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@@H+](Cc2ncnn2C)C1 ZINC001028360978 635657789 /nfs/dbraw/zinc/65/77/89/635657789.db2.gz PEBNPFIVHYKFIJ-JTQLQIEISA-N 1 2 237.307 -0.227 20 0 BBADLO CC(=O)NC[C@H]1CC[N@H+](Cc2ncnn2C)C1 ZINC001028360979 635656279 /nfs/dbraw/zinc/65/62/79/635656279.db2.gz PEBNPFIVHYKFIJ-SNVBAGLBSA-N 1 2 237.307 -0.227 20 0 BBADLO CC(=O)NC[C@H]1CC[N@@H+](Cc2ncnn2C)C1 ZINC001028360979 635656276 /nfs/dbraw/zinc/65/62/76/635656276.db2.gz PEBNPFIVHYKFIJ-SNVBAGLBSA-N 1 2 237.307 -0.227 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@H+](Cc2nncn2C)C1 ZINC001028361641 635656881 /nfs/dbraw/zinc/65/68/81/635656881.db2.gz YGZSYMQJGLXYDB-JTQLQIEISA-N 1 2 237.307 -0.227 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@@H+](Cc2nncn2C)C1 ZINC001028361641 635656875 /nfs/dbraw/zinc/65/68/75/635656875.db2.gz YGZSYMQJGLXYDB-JTQLQIEISA-N 1 2 237.307 -0.227 20 0 BBADLO CC(=O)NC[C@H]1CC[N@H+](Cc2nncn2C)C1 ZINC001028361642 635657479 /nfs/dbraw/zinc/65/74/79/635657479.db2.gz YGZSYMQJGLXYDB-SNVBAGLBSA-N 1 2 237.307 -0.227 20 0 BBADLO CC(=O)NC[C@H]1CC[N@@H+](Cc2nncn2C)C1 ZINC001028361642 635657476 /nfs/dbraw/zinc/65/74/76/635657476.db2.gz YGZSYMQJGLXYDB-SNVBAGLBSA-N 1 2 237.307 -0.227 20 0 BBADLO CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(N)=O ZINC001029177096 636000577 /nfs/dbraw/zinc/00/05/77/636000577.db2.gz XVUPMFBLAUXMBW-BBBLOLIVSA-N 1 2 239.319 -0.055 20 0 BBADLO CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(N)=O ZINC001029177096 636000575 /nfs/dbraw/zinc/00/05/75/636000575.db2.gz XVUPMFBLAUXMBW-BBBLOLIVSA-N 1 2 239.319 -0.055 20 0 BBADLO CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(N)=O ZINC001029177097 636001298 /nfs/dbraw/zinc/00/12/98/636001298.db2.gz XVUPMFBLAUXMBW-LPEHRKFASA-N 1 2 239.319 -0.055 20 0 BBADLO CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(N)=O ZINC001029177097 636001296 /nfs/dbraw/zinc/00/12/96/636001296.db2.gz XVUPMFBLAUXMBW-LPEHRKFASA-N 1 2 239.319 -0.055 20 0 BBADLO CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC ZINC001029177109 636001285 /nfs/dbraw/zinc/00/12/85/636001285.db2.gz YFOBICZSXHPODB-AOOOYVTPSA-N 1 2 239.319 -0.182 20 0 BBADLO CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC ZINC001029177109 636001283 /nfs/dbraw/zinc/00/12/83/636001283.db2.gz YFOBICZSXHPODB-AOOOYVTPSA-N 1 2 239.319 -0.182 20 0 BBADLO CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001029178230 636003055 /nfs/dbraw/zinc/00/30/55/636003055.db2.gz FJUMJJKQILENMC-DTORHVGOSA-N 1 2 225.292 -0.443 20 0 BBADLO CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001029178230 636003050 /nfs/dbraw/zinc/00/30/50/636003050.db2.gz FJUMJJKQILENMC-DTORHVGOSA-N 1 2 225.292 -0.443 20 0 BBADLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(N)=O ZINC001029179245 636002067 /nfs/dbraw/zinc/00/20/67/636002067.db2.gz RMRIGKBCBZSWDJ-QNSHHTMESA-N 1 2 225.292 -0.445 20 0 BBADLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(N)=O ZINC001029179245 636002063 /nfs/dbraw/zinc/00/20/63/636002063.db2.gz RMRIGKBCBZSWDJ-QNSHHTMESA-N 1 2 225.292 -0.445 20 0 BBADLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(N)=O ZINC001029179246 636002292 /nfs/dbraw/zinc/00/22/92/636002292.db2.gz RMRIGKBCBZSWDJ-UJNFCWOMSA-N 1 2 225.292 -0.445 20 0 BBADLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(N)=O ZINC001029179246 636002290 /nfs/dbraw/zinc/00/22/90/636002290.db2.gz RMRIGKBCBZSWDJ-UJNFCWOMSA-N 1 2 225.292 -0.445 20 0 BBADLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001029180219 636004529 /nfs/dbraw/zinc/00/45/29/636004529.db2.gz FTUVMOSSPHZEFA-PHIMTYICSA-N 1 2 239.319 -0.230 20 0 BBADLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001029180219 636004525 /nfs/dbraw/zinc/00/45/25/636004525.db2.gz FTUVMOSSPHZEFA-PHIMTYICSA-N 1 2 239.319 -0.230 20 0 BBADLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001029180347 636003474 /nfs/dbraw/zinc/00/34/74/636003474.db2.gz JVSDSLNKSYTWLT-DTORHVGOSA-N 1 2 211.265 -0.833 20 0 BBADLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001029180347 636003472 /nfs/dbraw/zinc/00/34/72/636003472.db2.gz JVSDSLNKSYTWLT-DTORHVGOSA-N 1 2 211.265 -0.833 20 0 BBADLO CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001029190339 636010296 /nfs/dbraw/zinc/01/02/96/636010296.db2.gz OFTLUVHIZZENEU-AOOOYVTPSA-N 1 2 239.319 -0.053 20 0 BBADLO CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001029190339 636010293 /nfs/dbraw/zinc/01/02/93/636010293.db2.gz OFTLUVHIZZENEU-AOOOYVTPSA-N 1 2 239.319 -0.053 20 0 BBADLO NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029245940 636035670 /nfs/dbraw/zinc/03/56/70/636035670.db2.gz NWUPCBSIZBMPLL-DTORHVGOSA-N 1 2 243.282 -0.494 20 0 BBADLO NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029245940 636035663 /nfs/dbraw/zinc/03/56/63/636035663.db2.gz NWUPCBSIZBMPLL-DTORHVGOSA-N 1 2 243.282 -0.494 20 0 BBADLO CC(=O)NC1C[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC001030036243 640525316 /nfs/dbraw/zinc/52/53/16/640525316.db2.gz PNDVDQMHHBSPJS-UHFFFAOYSA-N 1 2 235.287 -0.294 20 0 BBADLO CC(=O)NC1C[NH+](CCc2ccnn2C)C1 ZINC001030037013 640527287 /nfs/dbraw/zinc/52/72/87/640527287.db2.gz KMAZILYORKXCPL-UHFFFAOYSA-N 1 2 222.292 -0.217 20 0 BBADLO CC(=O)NC1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001030039506 640529966 /nfs/dbraw/zinc/52/99/66/640529966.db2.gz IRJNMQJADBZSLJ-LLVKDONJSA-N 1 2 238.291 -0.936 20 0 BBADLO CC(=O)NC1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001030039508 640530282 /nfs/dbraw/zinc/53/02/82/640530282.db2.gz IRJNMQJADBZSLJ-NSHDSACASA-N 1 2 238.291 -0.936 20 0 BBADLO CCC(=O)NC1C[NH+](C[C@@H]2CCc3ncnn32)C1 ZINC001030040398 640532344 /nfs/dbraw/zinc/53/23/44/640532344.db2.gz RXLUOZOPKJUPKC-JTQLQIEISA-N 1 2 249.318 -0.024 20 0 BBADLO CCC(=O)NC1C[NH+](C[C@H]2CCc3ncnn32)C1 ZINC001030040399 640533503 /nfs/dbraw/zinc/53/35/03/640533503.db2.gz RXLUOZOPKJUPKC-SNVBAGLBSA-N 1 2 249.318 -0.024 20 0 BBADLO CC(=O)NC1C[NH+](CCCN2CCCC2=O)C1 ZINC001030040557 640533341 /nfs/dbraw/zinc/53/33/41/640533341.db2.gz SYFNNYOOMJVMSQ-UHFFFAOYSA-N 1 2 239.319 -0.181 20 0 BBADLO Cn1c[nH+]cc1CN1CC(NC(=O)C(F)F)C1 ZINC001030040596 640534012 /nfs/dbraw/zinc/53/40/12/640534012.db2.gz URBHBYHZWDKOSB-UHFFFAOYSA-N 1 2 244.245 -0.014 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)C1CCC1 ZINC001030041666 640538766 /nfs/dbraw/zinc/53/87/66/640538766.db2.gz BSRSFBPQNLRZDP-UHFFFAOYSA-N 1 2 212.293 -0.031 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)CC2CC2)C1 ZINC001030044487 640541195 /nfs/dbraw/zinc/54/11/95/640541195.db2.gz BXWFOTYASOWKSN-MRVPVSSYSA-N 1 2 212.293 -0.032 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)CC2CC2)C1 ZINC001030044488 640539545 /nfs/dbraw/zinc/53/95/45/640539545.db2.gz BXWFOTYASOWKSN-QMMMGPOBSA-N 1 2 212.293 -0.032 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)C1CCCC1 ZINC001030044601 640539089 /nfs/dbraw/zinc/53/90/89/640539089.db2.gz YPZOXYGVALBGFK-UHFFFAOYSA-N 1 2 212.293 -0.031 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)C1CCOCC1 ZINC001030044778 640539690 /nfs/dbraw/zinc/53/96/90/640539690.db2.gz CEKKDKLDLMXDIA-UHFFFAOYSA-N 1 2 242.319 -0.404 20 0 BBADLO COCC[NH+]1CC(NC(=O)C2CCOCC2)C1 ZINC001030046044 640540693 /nfs/dbraw/zinc/54/06/93/640540693.db2.gz PLBXOSIFACJIFJ-UHFFFAOYSA-N 1 2 242.319 -0.140 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)C1CCOCC1 ZINC001030046287 640539895 /nfs/dbraw/zinc/53/98/95/640539895.db2.gz WIHPWBPBJFOXGY-UHFFFAOYSA-N 1 2 228.292 -0.794 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)C2CCOCC2)C1 ZINC001030046999 640543965 /nfs/dbraw/zinc/54/39/65/640543965.db2.gz JLPYKYIRPXSVJB-SECBINFHSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)C2CCOCC2)C1 ZINC001030047000 640543302 /nfs/dbraw/zinc/54/33/02/640543302.db2.gz JLPYKYIRPXSVJB-VIFPVBQESA-N 1 2 242.319 -0.406 20 0 BBADLO O=C(CC1CC1)NC1C[NH+](CCCO)C1 ZINC001030047088 640542437 /nfs/dbraw/zinc/54/24/37/640542437.db2.gz LKOCEQWMPFIHAJ-UHFFFAOYSA-N 1 2 212.293 -0.031 20 0 BBADLO CC(C)(F)C(=O)NC1C[NH+](CCCO)C1 ZINC001030048341 640542213 /nfs/dbraw/zinc/54/22/13/640542213.db2.gz BXFZHHUJOGGPMK-UHFFFAOYSA-N 1 2 218.272 -0.083 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)C(C)(C)F)C1 ZINC001030048370 640542717 /nfs/dbraw/zinc/54/27/17/640542717.db2.gz CXWMFKPWQVRGDF-SSDOTTSWSA-N 1 2 218.272 -0.084 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)C(C)(C)F)C1 ZINC001030048371 640543439 /nfs/dbraw/zinc/54/34/39/640543439.db2.gz CXWMFKPWQVRGDF-ZETCQYMHSA-N 1 2 218.272 -0.084 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)c1ccccn1 ZINC001030050173 640546557 /nfs/dbraw/zinc/54/65/57/640546557.db2.gz XZABMNNILZJLKZ-UHFFFAOYSA-N 1 2 235.287 -0.122 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)c1ccncc1 ZINC001030050836 640548829 /nfs/dbraw/zinc/54/88/29/640548829.db2.gz CGJSLNYZFWITOE-UHFFFAOYSA-N 1 2 235.287 -0.122 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2ccccn2)C1 ZINC001030051709 640547139 /nfs/dbraw/zinc/54/71/39/640547139.db2.gz DSQXZVXVSUNGJR-SECBINFHSA-N 1 2 235.287 -0.124 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)c2ccccn2)C1 ZINC001030051711 640548342 /nfs/dbraw/zinc/54/83/42/640548342.db2.gz DSQXZVXVSUNGJR-VIFPVBQESA-N 1 2 235.287 -0.124 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cccnc2)C1 ZINC001030055390 640552704 /nfs/dbraw/zinc/55/27/04/640552704.db2.gz DYHLPWKFYYGSBO-SECBINFHSA-N 1 2 235.287 -0.124 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cccnc2)C1 ZINC001030055391 640553299 /nfs/dbraw/zinc/55/32/99/640553299.db2.gz DYHLPWKFYYGSBO-VIFPVBQESA-N 1 2 235.287 -0.124 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)c1cccnc1 ZINC001030055963 640552186 /nfs/dbraw/zinc/55/21/86/640552186.db2.gz KORWHHFMSBSVER-UHFFFAOYSA-N 1 2 235.287 -0.122 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2ccncc2)C1 ZINC001030056397 640552743 /nfs/dbraw/zinc/55/27/43/640552743.db2.gz PQGWDUDVJJPBNW-SECBINFHSA-N 1 2 235.287 -0.124 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)c2ccncc2)C1 ZINC001030056399 640552040 /nfs/dbraw/zinc/55/20/40/640552040.db2.gz PQGWDUDVJJPBNW-VIFPVBQESA-N 1 2 235.287 -0.124 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cnccn2)C1 ZINC001030061381 640561627 /nfs/dbraw/zinc/56/16/27/640561627.db2.gz BMJGJRMFSDNFPZ-MRVPVSSYSA-N 1 2 236.275 -0.729 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cnccn2)C1 ZINC001030061382 640561185 /nfs/dbraw/zinc/56/11/85/640561185.db2.gz BMJGJRMFSDNFPZ-QMMMGPOBSA-N 1 2 236.275 -0.729 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)c1cnccn1 ZINC001030062978 640564787 /nfs/dbraw/zinc/56/47/87/640564787.db2.gz BQLGCBQVAXYXMF-UHFFFAOYSA-N 1 2 236.275 -0.727 20 0 BBADLO CC[NH+]1CC(NC(=O)c2cnccn2)C1 ZINC001030066115 640569337 /nfs/dbraw/zinc/56/93/37/640569337.db2.gz ZUMKCSGOCCNVEN-UHFFFAOYSA-N 1 2 206.249 -0.090 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)C2=COCCO2)C1 ZINC001030073776 640578197 /nfs/dbraw/zinc/57/81/97/640578197.db2.gz KOJWQPPIKVYAIC-MRVPVSSYSA-N 1 2 242.275 -0.944 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)C2=COCCO2)C1 ZINC001030073784 640577606 /nfs/dbraw/zinc/57/76/06/640577606.db2.gz KOJWQPPIKVYAIC-QMMMGPOBSA-N 1 2 242.275 -0.944 20 0 BBADLO CC[NH+]1CC(NC(=O)C2=COCCO2)C1 ZINC001030075316 640577619 /nfs/dbraw/zinc/57/76/19/640577619.db2.gz SCJHRJZHDNLBEN-UHFFFAOYSA-N 1 2 212.249 -0.305 20 0 BBADLO COCC[NH+]1CC(NC(=O)C2=COCCO2)C1 ZINC001030075934 640576880 /nfs/dbraw/zinc/57/68/80/640576880.db2.gz XCWBPWAKNGPVAD-UHFFFAOYSA-N 1 2 242.275 -0.679 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)[C@@H]1CCCO1 ZINC001030076354 640580631 /nfs/dbraw/zinc/58/06/31/640580631.db2.gz BSTOBVDQYGVJLH-JTQLQIEISA-N 1 2 228.292 -0.652 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)[C@H]1CCCO1 ZINC001030076356 640579988 /nfs/dbraw/zinc/57/99/88/640579988.db2.gz BSTOBVDQYGVJLH-SNVBAGLBSA-N 1 2 228.292 -0.652 20 0 BBADLO CC[NH+]1CC(NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001030078496 640580527 /nfs/dbraw/zinc/58/05/27/640580527.db2.gz LQHUGQNSUSNVGA-UHFFFAOYSA-N 1 2 221.260 -0.246 20 0 BBADLO C[C@@H]1C[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030078837 640579255 /nfs/dbraw/zinc/57/92/55/640579255.db2.gz HQPAQXVHVUJCBG-PSASIEDQSA-N 1 2 212.293 -0.175 20 0 BBADLO C[C@@H]1C[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030078839 640580351 /nfs/dbraw/zinc/58/03/51/640580351.db2.gz HQPAQXVHVUJCBG-SCZZXKLOSA-N 1 2 212.293 -0.175 20 0 BBADLO C[C@H]1C[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030078842 640581104 /nfs/dbraw/zinc/58/11/04/640581104.db2.gz HQPAQXVHVUJCBG-WCBMZHEXSA-N 1 2 212.293 -0.175 20 0 BBADLO C[C@H]1C[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030078845 640580920 /nfs/dbraw/zinc/58/09/20/640580920.db2.gz HQPAQXVHVUJCBG-WPRPVWTQSA-N 1 2 212.293 -0.175 20 0 BBADLO COCC[NH+]1CC(NC(=O)[C@@H]2CCCO2)C1 ZINC001030082380 640583060 /nfs/dbraw/zinc/58/30/60/640583060.db2.gz RUYRXSRVGXIHAG-JTQLQIEISA-N 1 2 228.292 -0.388 20 0 BBADLO COCC[NH+]1CC(NC(=O)[C@H]2CCCO2)C1 ZINC001030082381 640581659 /nfs/dbraw/zinc/58/16/59/640581659.db2.gz RUYRXSRVGXIHAG-SNVBAGLBSA-N 1 2 228.292 -0.388 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)C1=COCCO1 ZINC001030082394 640582587 /nfs/dbraw/zinc/58/25/87/640582587.db2.gz SEZSCYJQRBOXDQ-UHFFFAOYSA-N 1 2 242.275 -0.943 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cnn(C)c2)C1 ZINC001030092265 640587468 /nfs/dbraw/zinc/58/74/68/640587468.db2.gz BGKMIKPTVHIBEW-MRVPVSSYSA-N 1 2 238.291 -0.785 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cnn(C)c2)C1 ZINC001030092266 640587070 /nfs/dbraw/zinc/58/70/70/640587070.db2.gz BGKMIKPTVHIBEW-QMMMGPOBSA-N 1 2 238.291 -0.785 20 0 BBADLO CC[NH+]1CC(NC(=O)c2cnn(C)c2)C1 ZINC001030093227 640587257 /nfs/dbraw/zinc/58/72/57/640587257.db2.gz NAIIIOMAZRLSJE-UHFFFAOYSA-N 1 2 208.265 -0.146 20 0 BBADLO Cn1cc(C(=O)NC2C[NH+](CCCO)C2)cn1 ZINC001030093811 640588866 /nfs/dbraw/zinc/58/88/66/640588866.db2.gz ZDCJUAIQUSKUHG-UHFFFAOYSA-N 1 2 238.291 -0.784 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)c1ccc[nH]1 ZINC001030099680 711826509 /nfs/dbraw/zinc/82/65/09/711826509.db2.gz AEQZCKKMLPIGGW-UHFFFAOYSA-N 1 2 209.249 -0.579 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2ccc[nH]2)C1 ZINC001030100296 640593966 /nfs/dbraw/zinc/59/39/66/640593966.db2.gz OJIHESFPXGXUCS-MRVPVSSYSA-N 1 2 223.276 -0.191 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)c2ccc[nH]2)C1 ZINC001030100297 640592736 /nfs/dbraw/zinc/59/27/36/640592736.db2.gz OJIHESFPXGXUCS-QMMMGPOBSA-N 1 2 223.276 -0.191 20 0 BBADLO Cc1ccc(C(=O)NC2C[NH+](CCO)C2)n1C ZINC001030101353 640593750 /nfs/dbraw/zinc/59/37/50/640593750.db2.gz BZATYOQUAUIYFK-UHFFFAOYSA-N 1 2 237.303 -0.260 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)c1ccc[nH]1 ZINC001030102661 640593580 /nfs/dbraw/zinc/59/35/80/640593580.db2.gz SYHVFSDGZAXIEN-UHFFFAOYSA-N 1 2 223.276 -0.189 20 0 BBADLO Cn1cccc1C(=O)NC1C[NH+](CCCO)C1 ZINC001030103977 711826657 /nfs/dbraw/zinc/82/66/57/711826657.db2.gz HLQOQMXHTKYVPB-UHFFFAOYSA-N 1 2 237.303 -0.179 20 0 BBADLO COCC[NH+]1CC(NC(=O)Cn2cccn2)C1 ZINC001030106232 640597827 /nfs/dbraw/zinc/59/78/27/640597827.db2.gz YOQJLMJJCWFERN-UHFFFAOYSA-N 1 2 238.291 -0.670 20 0 BBADLO O=C(Cn1cccn1)NC1C[NH+](CCCO)C1 ZINC001030106704 640596443 /nfs/dbraw/zinc/59/64/43/640596443.db2.gz FHNKXEYCDBCELG-UHFFFAOYSA-N 1 2 238.291 -0.934 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)Cn2cccn2)C1 ZINC001030107244 640599598 /nfs/dbraw/zinc/59/95/98/640599598.db2.gz MXZLPSNWERKJCJ-SECBINFHSA-N 1 2 238.291 -0.936 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)Cn2cccn2)C1 ZINC001030107245 640598342 /nfs/dbraw/zinc/59/83/42/640598342.db2.gz MXZLPSNWERKJCJ-VIFPVBQESA-N 1 2 238.291 -0.936 20 0 BBADLO CC(C)C(=O)NC1C[NH+](CCCO)C1 ZINC001030108991 640597031 /nfs/dbraw/zinc/59/70/31/640597031.db2.gz SORHNKIQWXOKCG-UHFFFAOYSA-N 1 2 200.282 -0.175 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cccn2C)C1 ZINC001030111151 640602351 /nfs/dbraw/zinc/60/23/51/640602351.db2.gz WIOTZJNXXGADNW-SECBINFHSA-N 1 2 237.303 -0.180 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cccn2C)C1 ZINC001030111154 640601732 /nfs/dbraw/zinc/60/17/32/640601732.db2.gz WIOTZJNXXGADNW-VIFPVBQESA-N 1 2 237.303 -0.180 20 0 BBADLO Cn1cccc1C(=O)NC1C[NH+](CCO)C1 ZINC001030112676 640604171 /nfs/dbraw/zinc/60/41/71/640604171.db2.gz NHUIRGGNJRJIPW-UHFFFAOYSA-N 1 2 223.276 -0.569 20 0 BBADLO CC(C)C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030112841 640602115 /nfs/dbraw/zinc/60/21/15/640602115.db2.gz JXRIJZUKHOQKOV-MRVPVSSYSA-N 1 2 200.282 -0.176 20 0 BBADLO CC(C)C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030112842 640602444 /nfs/dbraw/zinc/60/24/44/640602444.db2.gz JXRIJZUKHOQKOV-QMMMGPOBSA-N 1 2 200.282 -0.176 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@H]2COCCO2)C1 ZINC001030117032 640610357 /nfs/dbraw/zinc/61/03/57/640610357.db2.gz RPFQSEJLTNAMDA-SECBINFHSA-N 1 2 214.265 -0.778 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@@H]2COCCO2)C1 ZINC001030117033 640609870 /nfs/dbraw/zinc/60/98/70/640609870.db2.gz RPFQSEJLTNAMDA-VIFPVBQESA-N 1 2 214.265 -0.778 20 0 BBADLO CO[C@H](C)C[NH+]1CC(NC(=O)c2ccn[nH]2)C1 ZINC001030120266 640611223 /nfs/dbraw/zinc/61/12/23/640611223.db2.gz AORMOIVSETZTPT-MRVPVSSYSA-N 1 2 238.291 -0.141 20 0 BBADLO CO[C@@H](C)C[NH+]1CC(NC(=O)c2ccn[nH]2)C1 ZINC001030120272 640611513 /nfs/dbraw/zinc/61/15/13/640611513.db2.gz AORMOIVSETZTPT-QMMMGPOBSA-N 1 2 238.291 -0.141 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2ccn[nH]2)C1 ZINC001030120378 640611416 /nfs/dbraw/zinc/61/14/16/640611416.db2.gz BCBDMISDNCPKIJ-SSDOTTSWSA-N 1 2 224.264 -0.796 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)c2ccn[nH]2)C1 ZINC001030120394 640612322 /nfs/dbraw/zinc/61/23/22/640612322.db2.gz BCBDMISDNCPKIJ-ZETCQYMHSA-N 1 2 224.264 -0.796 20 0 BBADLO O=C(C[C@@H]1CCCO1)NC1C[NH+](CCO)C1 ZINC001030120578 640612022 /nfs/dbraw/zinc/61/20/22/640612022.db2.gz IXJKNXUMOWFTGR-JTQLQIEISA-N 1 2 228.292 -0.652 20 0 BBADLO O=C(C[C@H]1CCCO1)NC1C[NH+](CCO)C1 ZINC001030120579 640611489 /nfs/dbraw/zinc/61/14/89/640611489.db2.gz IXJKNXUMOWFTGR-SNVBAGLBSA-N 1 2 228.292 -0.652 20 0 BBADLO O=C(C[C@H]1CCCO1)NC1C[NH+](CCCO)C1 ZINC001030121377 640613947 /nfs/dbraw/zinc/61/39/47/640613947.db2.gz PSJRYDWPBDOTDQ-LLVKDONJSA-N 1 2 242.319 -0.262 20 0 BBADLO O=C(C[C@@H]1CCCO1)NC1C[NH+](CCCO)C1 ZINC001030121378 640612880 /nfs/dbraw/zinc/61/28/80/640612880.db2.gz PSJRYDWPBDOTDQ-NSHDSACASA-N 1 2 242.319 -0.262 20 0 BBADLO O=C(NC1C[NH+](CCCF)C1)[C@@H]1COCCO1 ZINC001030121547 640613810 /nfs/dbraw/zinc/61/38/10/640613810.db2.gz XHEFKGSJPNPJGU-JTQLQIEISA-N 1 2 246.282 -0.438 20 0 BBADLO O=C(NC1C[NH+](CCCF)C1)[C@H]1COCCO1 ZINC001030121548 640613536 /nfs/dbraw/zinc/61/35/36/640613536.db2.gz XHEFKGSJPNPJGU-SNVBAGLBSA-N 1 2 246.282 -0.438 20 0 BBADLO CO[C@H](C)C[NH+]1CC(NC(=O)c2cn[nH]c2)C1 ZINC001030123803 640618155 /nfs/dbraw/zinc/61/81/55/640618155.db2.gz VKVAEQVXTBKPSI-MRVPVSSYSA-N 1 2 238.291 -0.141 20 0 BBADLO CO[C@@H](C)C[NH+]1CC(NC(=O)c2cn[nH]c2)C1 ZINC001030123807 640617789 /nfs/dbraw/zinc/61/77/89/640617789.db2.gz VKVAEQVXTBKPSI-QMMMGPOBSA-N 1 2 238.291 -0.141 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cn[nH]c2)C1 ZINC001030124026 640617438 /nfs/dbraw/zinc/61/74/38/640617438.db2.gz XYJHAYNDVZKTPY-SSDOTTSWSA-N 1 2 224.264 -0.796 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cn[nH]c2)C1 ZINC001030124029 640618752 /nfs/dbraw/zinc/61/87/52/640618752.db2.gz XYJHAYNDVZKTPY-ZETCQYMHSA-N 1 2 224.264 -0.796 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)C[C@H]2CCCO2)C1 ZINC001030124923 640615340 /nfs/dbraw/zinc/61/53/40/640615340.db2.gz LYRHUHFJBOMRNG-GXSJLCMTSA-N 1 2 242.319 -0.263 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)C[C@@H]2CCCO2)C1 ZINC001030124925 640616324 /nfs/dbraw/zinc/61/63/24/640616324.db2.gz LYRHUHFJBOMRNG-KOLCDFICSA-N 1 2 242.319 -0.263 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)C[C@H]2CCCO2)C1 ZINC001030124926 640616722 /nfs/dbraw/zinc/61/67/22/640616722.db2.gz LYRHUHFJBOMRNG-MWLCHTKSSA-N 1 2 242.319 -0.263 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)C[C@@H]2CCCO2)C1 ZINC001030124928 640616369 /nfs/dbraw/zinc/61/63/69/640616369.db2.gz LYRHUHFJBOMRNG-ONGXEEELSA-N 1 2 242.319 -0.263 20 0 BBADLO COC[C@@H](C)[NH+]1CC(NC(=O)c2ccn[nH]2)C1 ZINC001030124974 640616579 /nfs/dbraw/zinc/61/65/79/640616579.db2.gz QMMLYDKVOFHTQQ-MRVPVSSYSA-N 1 2 238.291 -0.141 20 0 BBADLO COC[C@H](C)[NH+]1CC(NC(=O)c2ccn[nH]2)C1 ZINC001030124976 640615824 /nfs/dbraw/zinc/61/58/24/640615824.db2.gz QMMLYDKVOFHTQQ-QMMMGPOBSA-N 1 2 238.291 -0.141 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)c1ccn[nH]1 ZINC001030125863 640620203 /nfs/dbraw/zinc/62/02/03/640620203.db2.gz YAKHBCYQXAXCSQ-UHFFFAOYSA-N 1 2 224.264 -0.794 20 0 BBADLO COC[C@@H](C)[NH+]1CC(NC(=O)c2cn[nH]c2)C1 ZINC001030127067 640620298 /nfs/dbraw/zinc/62/02/98/640620298.db2.gz GMARWIAFLQGMJS-MRVPVSSYSA-N 1 2 238.291 -0.141 20 0 BBADLO COC[C@H](C)[NH+]1CC(NC(=O)c2cn[nH]c2)C1 ZINC001030127072 640619830 /nfs/dbraw/zinc/61/98/30/640619830.db2.gz GMARWIAFLQGMJS-QMMMGPOBSA-N 1 2 238.291 -0.141 20 0 BBADLO CCO[C@@H]1C[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030130241 640623283 /nfs/dbraw/zinc/62/32/83/640623283.db2.gz LQAAOHHKQNQJJG-GHMZBOCLSA-N 1 2 242.319 -0.406 20 0 BBADLO CCO[C@H]1C[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030130242 640622879 /nfs/dbraw/zinc/62/28/79/640622879.db2.gz LQAAOHHKQNQJJG-MNOVXSKESA-N 1 2 242.319 -0.406 20 0 BBADLO CCO[C@H]1C[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030130245 640622514 /nfs/dbraw/zinc/62/25/14/640622514.db2.gz LQAAOHHKQNQJJG-QWRGUYRKSA-N 1 2 242.319 -0.406 20 0 BBADLO CCO[C@@H]1C[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030130250 640621822 /nfs/dbraw/zinc/62/18/22/640621822.db2.gz LQAAOHHKQNQJJG-WDEREUQCSA-N 1 2 242.319 -0.406 20 0 BBADLO CCO[C@@H]1C[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030131880 640622606 /nfs/dbraw/zinc/62/26/06/640622606.db2.gz SKKPOEHPOSBJNR-NXEZZACHSA-N 1 2 228.292 -0.796 20 0 BBADLO CCO[C@H]1C[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030131913 640622754 /nfs/dbraw/zinc/62/27/54/640622754.db2.gz SKKPOEHPOSBJNR-UWVGGRQHSA-N 1 2 228.292 -0.796 20 0 BBADLO CCO[C@@H]1C[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030131914 640622614 /nfs/dbraw/zinc/62/26/14/640622614.db2.gz SKKPOEHPOSBJNR-VHSXEESVSA-N 1 2 228.292 -0.796 20 0 BBADLO CCO[C@H]1C[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030131917 640623048 /nfs/dbraw/zinc/62/30/48/640623048.db2.gz SKKPOEHPOSBJNR-ZJUUUORDSA-N 1 2 228.292 -0.796 20 0 BBADLO CCO[C@@H]1C[C@H]1C(=O)NC1C[NH+](CCOC)C1 ZINC001030132269 640622623 /nfs/dbraw/zinc/62/26/23/640622623.db2.gz USALJZBDKOBNNW-GHMZBOCLSA-N 1 2 242.319 -0.142 20 0 BBADLO CCO[C@H]1C[C@H]1C(=O)NC1C[NH+](CCOC)C1 ZINC001030132272 640622441 /nfs/dbraw/zinc/62/24/41/640622441.db2.gz USALJZBDKOBNNW-MNOVXSKESA-N 1 2 242.319 -0.142 20 0 BBADLO CCO[C@H]1C[C@@H]1C(=O)NC1C[NH+](CCOC)C1 ZINC001030132274 640623241 /nfs/dbraw/zinc/62/32/41/640623241.db2.gz USALJZBDKOBNNW-QWRGUYRKSA-N 1 2 242.319 -0.142 20 0 BBADLO CCO[C@@H]1C[C@@H]1C(=O)NC1C[NH+](CCOC)C1 ZINC001030132275 640622057 /nfs/dbraw/zinc/62/20/57/640622057.db2.gz USALJZBDKOBNNW-WDEREUQCSA-N 1 2 242.319 -0.142 20 0 BBADLO Cc1cc(C(=O)NC2C[NH+](CCCO)C2)[nH]n1 ZINC001030133005 640624432 /nfs/dbraw/zinc/62/44/32/640624432.db2.gz KDTPSMWYKSORCM-UHFFFAOYSA-N 1 2 238.291 -0.485 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2ccon2)C1 ZINC001030133957 640625495 /nfs/dbraw/zinc/62/54/95/640625495.db2.gz YTQBHOZLALSAEQ-SSDOTTSWSA-N 1 2 225.248 -0.531 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)c2ccon2)C1 ZINC001030133961 640625589 /nfs/dbraw/zinc/62/55/89/640625589.db2.gz YTQBHOZLALSAEQ-ZETCQYMHSA-N 1 2 225.248 -0.531 20 0 BBADLO Cc1cc(C(=O)NC2C[NH+](C[C@@H](C)O)C2)[nH]n1 ZINC001030135884 640625990 /nfs/dbraw/zinc/62/59/90/640625990.db2.gz AWQUNDAOMHQQJA-MRVPVSSYSA-N 1 2 238.291 -0.487 20 0 BBADLO Cc1cc(C(=O)NC2C[NH+](C[C@H](C)O)C2)[nH]n1 ZINC001030135886 640625799 /nfs/dbraw/zinc/62/57/99/640625799.db2.gz AWQUNDAOMHQQJA-QMMMGPOBSA-N 1 2 238.291 -0.487 20 0 BBADLO Cc1ocnc1C(=O)NC1C[NH+](CCCO)C1 ZINC001030139265 640627637 /nfs/dbraw/zinc/62/76/37/640627637.db2.gz JZCSWXWVQPWRAQ-UHFFFAOYSA-N 1 2 239.275 -0.221 20 0 BBADLO COCC[NH+]1CC(NC(=O)[C@H]2CCCOC2)C1 ZINC001030139683 640627606 /nfs/dbraw/zinc/62/76/06/640627606.db2.gz GECRZMQZCFMNRO-JTQLQIEISA-N 1 2 242.319 -0.140 20 0 BBADLO COCC[NH+]1CC(NC(=O)[C@@H]2CCCOC2)C1 ZINC001030139685 640628177 /nfs/dbraw/zinc/62/81/77/640628177.db2.gz GECRZMQZCFMNRO-SNVBAGLBSA-N 1 2 242.319 -0.140 20 0 BBADLO Cc1ocnc1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030141565 640627371 /nfs/dbraw/zinc/62/73/71/640627371.db2.gz MKVOTTOQRUEJRU-SSDOTTSWSA-N 1 2 239.275 -0.222 20 0 BBADLO Cc1ocnc1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030141567 640627967 /nfs/dbraw/zinc/62/79/67/640627967.db2.gz MKVOTTOQRUEJRU-ZETCQYMHSA-N 1 2 239.275 -0.222 20 0 BBADLO COC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CCOC2)C1 ZINC001030142165 640629604 /nfs/dbraw/zinc/62/96/04/640629604.db2.gz LQAOKZDKGNUHGZ-NXEZZACHSA-N 1 2 242.319 -0.142 20 0 BBADLO COC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CCOC2)C1 ZINC001030142168 640629511 /nfs/dbraw/zinc/62/95/11/640629511.db2.gz LQAOKZDKGNUHGZ-UWVGGRQHSA-N 1 2 242.319 -0.142 20 0 BBADLO COC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CCOC2)C1 ZINC001030142170 640628891 /nfs/dbraw/zinc/62/88/91/640628891.db2.gz LQAOKZDKGNUHGZ-VHSXEESVSA-N 1 2 242.319 -0.142 20 0 BBADLO COC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CCOC2)C1 ZINC001030142171 640629408 /nfs/dbraw/zinc/62/94/08/640629408.db2.gz LQAOKZDKGNUHGZ-ZJUUUORDSA-N 1 2 242.319 -0.142 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)[C@@H]1CCOC1 ZINC001030142420 640629232 /nfs/dbraw/zinc/62/92/32/640629232.db2.gz PITIAJVWIHNMQL-SECBINFHSA-N 1 2 228.292 -0.794 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)[C@H]1CCOC1 ZINC001030142421 640630093 /nfs/dbraw/zinc/63/00/93/640630093.db2.gz PITIAJVWIHNMQL-VIFPVBQESA-N 1 2 228.292 -0.794 20 0 BBADLO COCC[NH+]1CC(NC(=O)[C@@H]2CCOC2)C1 ZINC001030143209 640628732 /nfs/dbraw/zinc/62/87/32/640628732.db2.gz XQUXYRYRHFBPQW-SECBINFHSA-N 1 2 228.292 -0.530 20 0 BBADLO COCC[NH+]1CC(NC(=O)[C@H]2CCOC2)C1 ZINC001030143210 640628639 /nfs/dbraw/zinc/62/86/39/640628639.db2.gz XQUXYRYRHFBPQW-VIFPVBQESA-N 1 2 228.292 -0.530 20 0 BBADLO CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2CCOC2)C1 ZINC001030144636 640629398 /nfs/dbraw/zinc/62/93/98/640629398.db2.gz DCECLNIQYHHXEA-NXEZZACHSA-N 1 2 242.319 -0.142 20 0 BBADLO CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2CCOC2)C1 ZINC001030144638 640630310 /nfs/dbraw/zinc/63/03/10/640630310.db2.gz DCECLNIQYHHXEA-UWVGGRQHSA-N 1 2 242.319 -0.142 20 0 BBADLO CO[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2CCOC2)C1 ZINC001030144639 640629014 /nfs/dbraw/zinc/62/90/14/640629014.db2.gz DCECLNIQYHHXEA-VHSXEESVSA-N 1 2 242.319 -0.142 20 0 BBADLO CO[C@H](C)C[NH+]1CC(NC(=O)[C@H]2CCOC2)C1 ZINC001030144642 640629833 /nfs/dbraw/zinc/62/98/33/640629833.db2.gz DCECLNIQYHHXEA-ZJUUUORDSA-N 1 2 242.319 -0.142 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CCOC2)C1 ZINC001030144996 640630202 /nfs/dbraw/zinc/63/02/02/640630202.db2.gz GWXORRNKFPLUHO-BDAKNGLRSA-N 1 2 228.292 -0.796 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCOC2)C1 ZINC001030144997 640629103 /nfs/dbraw/zinc/62/91/03/640629103.db2.gz GWXORRNKFPLUHO-DTWKUNHWSA-N 1 2 228.292 -0.796 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CCOC2)C1 ZINC001030144999 640628779 /nfs/dbraw/zinc/62/87/79/640628779.db2.gz GWXORRNKFPLUHO-IUCAKERBSA-N 1 2 228.292 -0.796 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCOC2)C1 ZINC001030145001 640630072 /nfs/dbraw/zinc/63/00/72/640630072.db2.gz GWXORRNKFPLUHO-RKDXNWHRSA-N 1 2 228.292 -0.796 20 0 BBADLO CC[NH+]1CC(NC(=O)c2ccnn2C)C1 ZINC001030145763 640630927 /nfs/dbraw/zinc/63/09/27/640630927.db2.gz HBDKHLFENGQPPG-UHFFFAOYSA-N 1 2 208.265 -0.146 20 0 BBADLO Cn1nccc1C(=O)NC1C[NH+](CCCO)C1 ZINC001030146313 640632560 /nfs/dbraw/zinc/63/25/60/640632560.db2.gz PHOHCIDYOXIIHK-UHFFFAOYSA-N 1 2 238.291 -0.784 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)C1=COCCC1 ZINC001030150915 640634198 /nfs/dbraw/zinc/63/41/98/640634198.db2.gz FHCJXEIMFVDZOM-UHFFFAOYSA-N 1 2 226.276 -0.527 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)C2=COCCC2)C1 ZINC001030151603 640635372 /nfs/dbraw/zinc/63/53/72/640635372.db2.gz QSFSCDSSQUFKOE-SECBINFHSA-N 1 2 240.303 -0.138 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)C2=COCCC2)C1 ZINC001030151605 640635588 /nfs/dbraw/zinc/63/55/88/640635588.db2.gz QSFSCDSSQUFKOE-VIFPVBQESA-N 1 2 240.303 -0.138 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)C1=COCCC1 ZINC001030152189 640636867 /nfs/dbraw/zinc/63/68/67/640636867.db2.gz ZZITVMSEYDNBEN-UHFFFAOYSA-N 1 2 240.303 -0.137 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)OC)C1 ZINC001030152407 711827270 /nfs/dbraw/zinc/82/72/70/711827270.db2.gz UCXWGWYNIUSHNH-BDAKNGLRSA-N 1 2 226.276 -0.384 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@H]2C[C@H]2C(=O)OC)C1 ZINC001030152408 711827075 /nfs/dbraw/zinc/82/70/75/711827075.db2.gz UCXWGWYNIUSHNH-DTWKUNHWSA-N 1 2 226.276 -0.384 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@H]2C[C@@H]2C(=O)OC)C1 ZINC001030152409 711827134 /nfs/dbraw/zinc/82/71/34/711827134.db2.gz UCXWGWYNIUSHNH-IUCAKERBSA-N 1 2 226.276 -0.384 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2C(=O)OC)C1 ZINC001030152410 711827210 /nfs/dbraw/zinc/82/72/10/711827210.db2.gz UCXWGWYNIUSHNH-RKDXNWHRSA-N 1 2 226.276 -0.384 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2ccnn2C)C1 ZINC001030152753 640636860 /nfs/dbraw/zinc/63/68/60/640636860.db2.gz XONOFIBLWWMBGH-MRVPVSSYSA-N 1 2 238.291 -0.785 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)c2ccnn2C)C1 ZINC001030152754 640637045 /nfs/dbraw/zinc/63/70/45/640637045.db2.gz XONOFIBLWWMBGH-QMMMGPOBSA-N 1 2 238.291 -0.785 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cscn2)C1 ZINC001030152835 640637091 /nfs/dbraw/zinc/63/70/91/640637091.db2.gz KSDQNISJSPKYNK-SSDOTTSWSA-N 1 2 241.316 -0.062 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cscn2)C1 ZINC001030152836 640636833 /nfs/dbraw/zinc/63/68/33/640636833.db2.gz KSDQNISJSPKYNK-ZETCQYMHSA-N 1 2 241.316 -0.062 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)c1cscn1 ZINC001030153637 711827093 /nfs/dbraw/zinc/82/70/93/711827093.db2.gz ZXEDGDCWQUSJOX-UHFFFAOYSA-N 1 2 241.316 -0.061 20 0 BBADLO O=C(NC1C[NH+](CCCF)C1)[C@H]1CCC(=O)N1 ZINC001030154009 640638802 /nfs/dbraw/zinc/63/88/02/640638802.db2.gz BKBPCJAZXJZRLB-SECBINFHSA-N 1 2 243.282 -0.575 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCCOC2)C1 ZINC001030154358 640638034 /nfs/dbraw/zinc/63/80/34/640638034.db2.gz FYESQFUBJGSPDQ-NXEZZACHSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CCCOC2)C1 ZINC001030154362 640639526 /nfs/dbraw/zinc/63/95/26/640639526.db2.gz FYESQFUBJGSPDQ-UWVGGRQHSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCCOC2)C1 ZINC001030154365 640639206 /nfs/dbraw/zinc/63/92/06/640639206.db2.gz FYESQFUBJGSPDQ-VHSXEESVSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CCCOC2)C1 ZINC001030154367 640638635 /nfs/dbraw/zinc/63/86/35/640638635.db2.gz FYESQFUBJGSPDQ-ZJUUUORDSA-N 1 2 242.319 -0.406 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)[C@H]1CCCOC1 ZINC001030155718 640638527 /nfs/dbraw/zinc/63/85/27/640638527.db2.gz RJGIQPHCFRRIDU-JTQLQIEISA-N 1 2 242.319 -0.404 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)[C@@H]1CCCOC1 ZINC001030155917 640637980 /nfs/dbraw/zinc/63/79/80/640637980.db2.gz RJGIQPHCFRRIDU-SNVBAGLBSA-N 1 2 242.319 -0.404 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001030156431 640640713 /nfs/dbraw/zinc/64/07/13/640640713.db2.gz HTFQIFCKTAAPQH-MRVPVSSYSA-N 1 2 211.265 -0.915 20 0 BBADLO Cc1ncc(C(=O)NC2C[NH+](CCCO)C2)[nH]1 ZINC001030158953 640642545 /nfs/dbraw/zinc/64/25/45/640642545.db2.gz UMZCLJHYDONSFR-UHFFFAOYSA-N 1 2 238.291 -0.485 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CCCOC1 ZINC001030160983 640646329 /nfs/dbraw/zinc/64/63/29/640646329.db2.gz UULGUALZNIHKID-SECBINFHSA-N 1 2 228.292 -0.794 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)[C@H]1CCCOC1 ZINC001030160985 640644945 /nfs/dbraw/zinc/64/49/45/640644945.db2.gz UULGUALZNIHKID-VIFPVBQESA-N 1 2 228.292 -0.794 20 0 BBADLO Cc1cc(CC(=O)NC2C[NH+](CCO)C2)no1 ZINC001030164612 640648581 /nfs/dbraw/zinc/64/85/81/640648581.db2.gz QLUMPAPGGICORN-UHFFFAOYSA-N 1 2 239.275 -0.682 20 0 BBADLO COCC[NH+]1CC(NC(=O)Cc2ccon2)C1 ZINC001030167170 640650816 /nfs/dbraw/zinc/65/08/16/640650816.db2.gz RIBOFTDFPPAZKJ-UHFFFAOYSA-N 1 2 239.275 -0.336 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)Cc2ccon2)C1 ZINC001030167726 640649574 /nfs/dbraw/zinc/64/95/74/640649574.db2.gz XDAALLKTZYLTNJ-MRVPVSSYSA-N 1 2 239.275 -0.602 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)Cc2ccon2)C1 ZINC001030167727 640651031 /nfs/dbraw/zinc/65/10/31/640651031.db2.gz XDAALLKTZYLTNJ-QMMMGPOBSA-N 1 2 239.275 -0.602 20 0 BBADLO O=C(C[C@@H]1CCOC1)NC1C[NH+](CCCO)C1 ZINC001030170653 640652167 /nfs/dbraw/zinc/65/21/67/640652167.db2.gz FDYRGZMIXSGBNU-JTQLQIEISA-N 1 2 242.319 -0.404 20 0 BBADLO O=C(C[C@H]1CCOC1)NC1C[NH+](CCCO)C1 ZINC001030170654 640652120 /nfs/dbraw/zinc/65/21/20/640652120.db2.gz FDYRGZMIXSGBNU-SNVBAGLBSA-N 1 2 242.319 -0.404 20 0 BBADLO O=C(CC1CCOCC1)NC1C[NH+](CCO)C1 ZINC001030171619 640654157 /nfs/dbraw/zinc/65/41/57/640654157.db2.gz PHPDQNLCCCFQIR-UHFFFAOYSA-N 1 2 242.319 -0.404 20 0 BBADLO COCC[NH+]1CC(NC(=O)C[C@@H]2CCOC2)C1 ZINC001030172283 640656919 /nfs/dbraw/zinc/65/69/19/640656919.db2.gz XVKIUWHCIKQECN-JTQLQIEISA-N 1 2 242.319 -0.140 20 0 BBADLO COCC[NH+]1CC(NC(=O)C[C@H]2CCOC2)C1 ZINC001030172284 640656785 /nfs/dbraw/zinc/65/67/85/640656785.db2.gz XVKIUWHCIKQECN-SNVBAGLBSA-N 1 2 242.319 -0.140 20 0 BBADLO COCC[NH+]1CC(NC(=O)Cc2cc[nH]n2)C1 ZINC001030172488 640656723 /nfs/dbraw/zinc/65/67/23/640656723.db2.gz IMXIIDMENJGTFR-UHFFFAOYSA-N 1 2 238.291 -0.601 20 0 BBADLO O=C(Cc1ccon1)NC1C[NH+](CCO)C1 ZINC001030173512 640658270 /nfs/dbraw/zinc/65/82/70/640658270.db2.gz PBEHQWKXHXGVTF-UHFFFAOYSA-N 1 2 225.248 -0.990 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)C[C@H]2CCOC2)C1 ZINC001030174126 640657813 /nfs/dbraw/zinc/65/78/13/640657813.db2.gz LKGOGIPRMNLOEH-NXEZZACHSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)C[C@@H]2CCOC2)C1 ZINC001030174132 640658327 /nfs/dbraw/zinc/65/83/27/640658327.db2.gz LKGOGIPRMNLOEH-UWVGGRQHSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)C[C@H]2CCOC2)C1 ZINC001030174135 640657928 /nfs/dbraw/zinc/65/79/28/640657928.db2.gz LKGOGIPRMNLOEH-VHSXEESVSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)C[C@@H]2CCOC2)C1 ZINC001030174140 640659488 /nfs/dbraw/zinc/65/94/88/640659488.db2.gz LKGOGIPRMNLOEH-ZJUUUORDSA-N 1 2 242.319 -0.406 20 0 BBADLO O=C(C[C@H]1CCOC1)NC1C[NH+](CCO)C1 ZINC001030174294 640658713 /nfs/dbraw/zinc/65/87/13/640658713.db2.gz MEBRIABUHRFGNN-SECBINFHSA-N 1 2 228.292 -0.794 20 0 BBADLO O=C(C[C@@H]1CCOC1)NC1C[NH+](CCO)C1 ZINC001030174296 640659242 /nfs/dbraw/zinc/65/92/42/640659242.db2.gz MEBRIABUHRFGNN-VIFPVBQESA-N 1 2 228.292 -0.794 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)C1CC=CC1 ZINC001030174555 640658919 /nfs/dbraw/zinc/65/89/19/640658919.db2.gz FSKRSJSTEROEJA-UHFFFAOYSA-N 1 2 210.277 -0.255 20 0 BBADLO O=C(Cc1ccon1)NC1C[NH+](CCCO)C1 ZINC001030174690 640659466 /nfs/dbraw/zinc/65/94/66/640659466.db2.gz XZCZVJNFYXMEEC-UHFFFAOYSA-N 1 2 239.275 -0.600 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)Cc2cc[nH]n2)C1 ZINC001030176021 640662107 /nfs/dbraw/zinc/66/21/07/640662107.db2.gz HGXYVMIGKHHZAC-MRVPVSSYSA-N 1 2 238.291 -0.867 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)Cc2cc[nH]n2)C1 ZINC001030176025 640661378 /nfs/dbraw/zinc/66/13/78/640661378.db2.gz HGXYVMIGKHHZAC-QMMMGPOBSA-N 1 2 238.291 -0.867 20 0 BBADLO CC[NH+]1CC(NC(=O)c2nnn(C)c2C)C1 ZINC001030177260 640662204 /nfs/dbraw/zinc/66/22/04/640662204.db2.gz NSWKJFVHMROIGU-UHFFFAOYSA-N 1 2 223.280 -0.443 20 0 BBADLO O=C(Cc1cc[nH]n1)NC1C[NH+](CCCO)C1 ZINC001030177621 640663927 /nfs/dbraw/zinc/66/39/27/640663927.db2.gz ZQYFIFJANNQXLQ-UHFFFAOYSA-N 1 2 238.291 -0.865 20 0 BBADLO O=C(CC1CCC1)NC1C[NH+](CCO)C1 ZINC001030187872 640666369 /nfs/dbraw/zinc/66/63/69/640666369.db2.gz WROYSEJYEUUMRW-UHFFFAOYSA-N 1 2 212.293 -0.031 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)c1cccc(=O)[nH]1 ZINC001030188753 640667266 /nfs/dbraw/zinc/66/72/66/640667266.db2.gz LHOMBLIUTLHXFC-UHFFFAOYSA-N 1 2 237.259 -0.807 20 0 BBADLO C[C@@H](C(=O)NC1C[NH+](CCO)C1)C1CC1 ZINC001030192010 711827765 /nfs/dbraw/zinc/82/77/65/711827765.db2.gz UDRSJXPOHUCRDP-MRVPVSSYSA-N 1 2 212.293 -0.175 20 0 BBADLO C[C@H](C(=O)NC1C[NH+](CCO)C1)C1CC1 ZINC001030192011 711827744 /nfs/dbraw/zinc/82/77/44/711827744.db2.gz UDRSJXPOHUCRDP-QMMMGPOBSA-N 1 2 212.293 -0.175 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001030192932 640668740 /nfs/dbraw/zinc/66/87/40/640668740.db2.gz RZMJFQCMSXAAKK-URLYPYJESA-N 1 2 224.304 -0.175 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)C1CC(F)(F)C1 ZINC001030201412 640675869 /nfs/dbraw/zinc/67/58/69/640675869.db2.gz ONKCJJJDXOAEAN-UHFFFAOYSA-N 1 2 234.246 -0.176 20 0 BBADLO CC1CC(C(=O)NC2C[NH+](CCO)C2)C1 ZINC001030202656 640677972 /nfs/dbraw/zinc/67/79/72/640677972.db2.gz QAGMKQZFUJCSBE-UHFFFAOYSA-N 1 2 212.293 -0.175 20 0 BBADLO Cc1[nH]ccc1C(=O)NC1C[NH+](CCO)C1 ZINC001030204458 640683395 /nfs/dbraw/zinc/68/33/95/640683395.db2.gz ZLSIFUJIPYTOMW-UHFFFAOYSA-N 1 2 223.276 -0.271 20 0 BBADLO O=C(C=C1CCC1)NC1C[NH+](CCO)C1 ZINC001030207143 640683414 /nfs/dbraw/zinc/68/34/14/640683414.db2.gz QXHCFYKXOFHBFC-UHFFFAOYSA-N 1 2 210.277 -0.111 20 0 BBADLO O=C(C[C@H]1CCCCO1)NC1C[NH+](CCO)C1 ZINC001030208649 711828030 /nfs/dbraw/zinc/82/80/30/711828030.db2.gz MYVQFPZDDZLOTO-LLVKDONJSA-N 1 2 242.319 -0.262 20 0 BBADLO O=C(C[C@@H]1CCCCO1)NC1C[NH+](CCO)C1 ZINC001030208652 711827999 /nfs/dbraw/zinc/82/79/99/711827999.db2.gz MYVQFPZDDZLOTO-NSHDSACASA-N 1 2 242.319 -0.262 20 0 BBADLO Cc1cc(CC(=O)NC2C[NH+](CCO)C2)[nH]n1 ZINC001030210083 711828126 /nfs/dbraw/zinc/82/81/26/711828126.db2.gz DAKZKDQWEBBBEO-UHFFFAOYSA-N 1 2 238.291 -0.947 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)C1=CCCC1 ZINC001030211919 640685642 /nfs/dbraw/zinc/68/56/42/640685642.db2.gz ITRPCXRPGIEOQX-UHFFFAOYSA-N 1 2 210.277 -0.111 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)c1cc[nH]c(=O)c1 ZINC001030212019 640684984 /nfs/dbraw/zinc/68/49/84/640684984.db2.gz KMQCLEDJWIRKJU-UHFFFAOYSA-N 1 2 237.259 -0.807 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001030213251 640687101 /nfs/dbraw/zinc/68/71/01/640687101.db2.gz AKPUEPDIJIBKRM-MRVPVSSYSA-N 1 2 225.292 -0.667 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001030213252 640687253 /nfs/dbraw/zinc/68/72/53/640687253.db2.gz AKPUEPDIJIBKRM-QMMMGPOBSA-N 1 2 225.292 -0.667 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2ccn(C)c2)C1 ZINC001030214866 711828250 /nfs/dbraw/zinc/82/82/50/711828250.db2.gz PINFOWGCEMUHPO-SECBINFHSA-N 1 2 237.303 -0.180 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)c2ccn(C)c2)C1 ZINC001030214867 711828335 /nfs/dbraw/zinc/82/83/35/711828335.db2.gz PINFOWGCEMUHPO-VIFPVBQESA-N 1 2 237.303 -0.180 20 0 BBADLO Cn1cnc(C(=O)NC2C[NH+](CCCO)C2)c1 ZINC001030215112 640687748 /nfs/dbraw/zinc/68/77/48/640687748.db2.gz VGEXYINIFLHSNM-UHFFFAOYSA-N 1 2 238.291 -0.784 20 0 BBADLO Cn1ccc(C(=O)NC2C[NH+](CCO)C2)c1 ZINC001030215457 640688885 /nfs/dbraw/zinc/68/88/85/640688885.db2.gz AIPQMDXSYWJDQF-UHFFFAOYSA-N 1 2 223.276 -0.569 20 0 BBADLO Cn1ccc(C(=O)NC2C[NH+](CCCO)C2)c1 ZINC001030216120 640688138 /nfs/dbraw/zinc/68/81/38/640688138.db2.gz DNKXYPNUGDBDEG-UHFFFAOYSA-N 1 2 237.303 -0.179 20 0 BBADLO CC[NH+]1CC(NC(=O)c2cn(C)cn2)C1 ZINC001030216583 640690703 /nfs/dbraw/zinc/69/07/03/640690703.db2.gz GVVHJLQPROTDPF-UHFFFAOYSA-N 1 2 208.265 -0.146 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cn(C)cn2)C1 ZINC001030217852 640688789 /nfs/dbraw/zinc/68/87/89/640688789.db2.gz FTDVPFFOHPDZLX-MRVPVSSYSA-N 1 2 238.291 -0.785 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cn(C)cn2)C1 ZINC001030217853 640687726 /nfs/dbraw/zinc/68/77/26/640687726.db2.gz FTDVPFFOHPDZLX-QMMMGPOBSA-N 1 2 238.291 -0.785 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)[C@H]1CCCCO1 ZINC001030218763 640690321 /nfs/dbraw/zinc/69/03/21/640690321.db2.gz NIWJEXAYPRCZRR-LLVKDONJSA-N 1 2 242.319 -0.262 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)[C@@H]1CCCCO1 ZINC001030218764 640690060 /nfs/dbraw/zinc/69/00/60/640690060.db2.gz NIWJEXAYPRCZRR-NSHDSACASA-N 1 2 242.319 -0.262 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CCCCO2)C1 ZINC001030218870 640690605 /nfs/dbraw/zinc/69/06/05/640690605.db2.gz OYIRVBJDIIHBPN-GXSJLCMTSA-N 1 2 242.319 -0.263 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCCCO2)C1 ZINC001030218873 640690867 /nfs/dbraw/zinc/69/08/67/640690867.db2.gz OYIRVBJDIIHBPN-KOLCDFICSA-N 1 2 242.319 -0.263 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CCCCO2)C1 ZINC001030219035 640690782 /nfs/dbraw/zinc/69/07/82/640690782.db2.gz OYIRVBJDIIHBPN-MWLCHTKSSA-N 1 2 242.319 -0.263 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCCCO2)C1 ZINC001030219037 640689552 /nfs/dbraw/zinc/68/95/52/640689552.db2.gz OYIRVBJDIIHBPN-ONGXEEELSA-N 1 2 242.319 -0.263 20 0 BBADLO O=C(Cc1cccnc1)NC1C[NH+](CCCO)C1 ZINC001030220204 640690885 /nfs/dbraw/zinc/69/08/85/640690885.db2.gz DYMJLFWRSIZBTA-UHFFFAOYSA-N 1 2 249.314 -0.193 20 0 BBADLO O=C(Cc1cccnc1)NC1C[NH+](CCO)C1 ZINC001030221303 640693076 /nfs/dbraw/zinc/69/30/76/640693076.db2.gz YPCHOIMPAOQCOS-UHFFFAOYSA-N 1 2 235.287 -0.583 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)Cc2cccnc2)C1 ZINC001030221825 640693025 /nfs/dbraw/zinc/69/30/25/640693025.db2.gz UABBQAYAQQOWOW-JTQLQIEISA-N 1 2 249.314 -0.195 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)Cc2cccnc2)C1 ZINC001030221826 640693255 /nfs/dbraw/zinc/69/32/55/640693255.db2.gz UABBQAYAQQOWOW-SNVBAGLBSA-N 1 2 249.314 -0.195 20 0 BBADLO Cc1ccc(CC(=O)NC2C[NH+](CCO)C2)o1 ZINC001030227788 711828604 /nfs/dbraw/zinc/82/86/04/711828604.db2.gz WNUXEWNKCTUWPG-UHFFFAOYSA-N 1 2 238.287 -0.077 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cncnc2)C1 ZINC001030240667 640704370 /nfs/dbraw/zinc/70/43/70/640704370.db2.gz BBCKHJWVYONQLU-MRVPVSSYSA-N 1 2 236.275 -0.729 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cncnc2)C1 ZINC001030240669 640704607 /nfs/dbraw/zinc/70/46/07/640704607.db2.gz BBCKHJWVYONQLU-QMMMGPOBSA-N 1 2 236.275 -0.729 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)C1=CCOCC1 ZINC001030241616 711829298 /nfs/dbraw/zinc/82/92/98/711829298.db2.gz JFXVOEWPCJHLMC-UHFFFAOYSA-N 1 2 240.303 -0.484 20 0 BBADLO COCC[NH+]1CC(NC(=O)C2=CCOCC2)C1 ZINC001030242958 711829345 /nfs/dbraw/zinc/82/93/45/711829345.db2.gz ZPBXXLSAYMXMBL-UHFFFAOYSA-N 1 2 240.303 -0.220 20 0 BBADLO Cc1nc(C(=O)NC2C[NH+](C[C@@H](C)O)C2)co1 ZINC001030244632 640704180 /nfs/dbraw/zinc/70/41/80/640704180.db2.gz HCGCCASYPZOFEC-SSDOTTSWSA-N 1 2 239.275 -0.222 20 0 BBADLO Cc1nc(C(=O)NC2C[NH+](C[C@H](C)O)C2)co1 ZINC001030244633 640703572 /nfs/dbraw/zinc/70/35/72/640703572.db2.gz HCGCCASYPZOFEC-ZETCQYMHSA-N 1 2 239.275 -0.222 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)C2=CCOCC2)C1 ZINC001030244859 640704500 /nfs/dbraw/zinc/70/45/00/640704500.db2.gz JWQAHIJOEJTFLX-SECBINFHSA-N 1 2 240.303 -0.486 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)C2=CCOCC2)C1 ZINC001030244860 640703148 /nfs/dbraw/zinc/70/31/48/640703148.db2.gz JWQAHIJOEJTFLX-VIFPVBQESA-N 1 2 240.303 -0.486 20 0 BBADLO O=C(Cc1ccoc1)NC1C[NH+](CCO)C1 ZINC001030245672 640703811 /nfs/dbraw/zinc/70/38/11/640703811.db2.gz MUBCICLJBJKXBI-UHFFFAOYSA-N 1 2 224.260 -0.385 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)C1=CCOCC1 ZINC001030245773 640704597 /nfs/dbraw/zinc/70/45/97/640704597.db2.gz FPXYBJIFHAMWSO-UHFFFAOYSA-N 1 2 226.276 -0.874 20 0 BBADLO Cc1nc(C(=O)NC2C[NH+](CCCO)C2)co1 ZINC001030246041 640706508 /nfs/dbraw/zinc/70/65/08/640706508.db2.gz SDPHZQRKFNOBJV-UHFFFAOYSA-N 1 2 239.275 -0.221 20 0 BBADLO C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030253896 640709597 /nfs/dbraw/zinc/70/95/97/640709597.db2.gz YBZWKLSRQLNOTI-GXSJLCMTSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H]1OCCC[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030253897 640710192 /nfs/dbraw/zinc/71/01/92/640710192.db2.gz YBZWKLSRQLNOTI-KOLCDFICSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H]1OCCC[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030253898 640709958 /nfs/dbraw/zinc/70/99/58/640709958.db2.gz YBZWKLSRQLNOTI-MWLCHTKSSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030253899 640710291 /nfs/dbraw/zinc/71/02/91/640710291.db2.gz YBZWKLSRQLNOTI-ONGXEEELSA-N 1 2 242.319 -0.406 20 0 BBADLO CC[NH+]1CC(NC(=O)C2CN(C(C)=O)C2)C1 ZINC001030254224 640709786 /nfs/dbraw/zinc/70/97/86/640709786.db2.gz FTSVNYDMDMMXKK-UHFFFAOYSA-N 1 2 225.292 -0.715 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)[C@H]1CCCOCC1 ZINC001030262115 640712924 /nfs/dbraw/zinc/71/29/24/640712924.db2.gz HIXQQVXRCIVPSV-JTQLQIEISA-N 1 2 242.319 -0.404 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CCCOCC1 ZINC001030262116 640712404 /nfs/dbraw/zinc/71/24/04/640712404.db2.gz HIXQQVXRCIVPSV-SNVBAGLBSA-N 1 2 242.319 -0.404 20 0 BBADLO Cn1nncc1C(=O)NC1C[NH+](CCCF)C1 ZINC001030266530 640718239 /nfs/dbraw/zinc/71/82/39/640718239.db2.gz KNNCYYTXZFCUCV-UHFFFAOYSA-N 1 2 241.270 -0.411 20 0 BBADLO Cc1cc[nH]c1C(=O)NC1C[NH+](CCO)C1 ZINC001030266734 640718270 /nfs/dbraw/zinc/71/82/70/640718270.db2.gz PVZBPUWJCPCXHD-UHFFFAOYSA-N 1 2 223.276 -0.271 20 0 BBADLO O=C(NC1C[NH+](CCCF)C1)[C@H]1COC(=O)N1 ZINC001030269188 640720988 /nfs/dbraw/zinc/72/09/88/640720988.db2.gz LWFGXQKGTNJOIM-MRVPVSSYSA-N 1 2 245.254 -0.745 20 0 BBADLO O=C(NC1C[NH+](CCCF)C1)[C@@H]1COC(=O)N1 ZINC001030269189 640720367 /nfs/dbraw/zinc/72/03/67/640720367.db2.gz LWFGXQKGTNJOIM-QMMMGPOBSA-N 1 2 245.254 -0.745 20 0 BBADLO CC[NH+]1CC(NC(=O)c2cnnn2C)C1 ZINC001030270477 640722841 /nfs/dbraw/zinc/72/28/41/640722841.db2.gz XSSKCHOCUQDXAR-UHFFFAOYSA-N 1 2 209.253 -0.751 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)[C@H]1C[C@@H]1C(F)F ZINC001030271038 640720805 /nfs/dbraw/zinc/72/08/05/640720805.db2.gz SLDJHNUMFDEANW-YUMQZZPRSA-N 1 2 234.246 -0.320 20 0 BBADLO CCC[NH+]1CC(NC(=O)c2ncn(C)n2)C1 ZINC001030273145 640722240 /nfs/dbraw/zinc/72/22/40/640722240.db2.gz REUXTDGIBBCFTI-UHFFFAOYSA-N 1 2 223.280 -0.361 20 0 BBADLO CCc1[nH]ccc1C(=O)NC1C[NH+](CCO)C1 ZINC001030275277 640722309 /nfs/dbraw/zinc/72/23/09/640722309.db2.gz XYKWVPIEWWGZJX-UHFFFAOYSA-N 1 2 237.303 -0.017 20 0 BBADLO CCOC1CC(C(=O)NC2C[NH+](CCO)C2)C1 ZINC001030275446 711829919 /nfs/dbraw/zinc/82/99/19/711829919.db2.gz GNAKGZHGIADKKE-UHFFFAOYSA-N 1 2 242.319 -0.406 20 0 BBADLO CC[NH+]1CC(NC(=O)c2cn(C)nn2)C1 ZINC001030276305 711829980 /nfs/dbraw/zinc/82/99/80/711829980.db2.gz FXVRCUHGBLJJJD-UHFFFAOYSA-N 1 2 209.253 -0.751 20 0 BBADLO Cn1cc(C(=O)NC2C[NH+](CCCF)C2)nn1 ZINC001030276561 640726067 /nfs/dbraw/zinc/72/60/67/640726067.db2.gz NBIQSKBFYVQDCT-UHFFFAOYSA-N 1 2 241.270 -0.411 20 0 BBADLO Cn1cnc(C(=O)NC2C[NH+](CCCF)C2)n1 ZINC001030277896 640726625 /nfs/dbraw/zinc/72/66/25/640726625.db2.gz NIWGTAIWIMTZCK-UHFFFAOYSA-N 1 2 241.270 -0.411 20 0 BBADLO CC[NH+]1CC(NC(=O)Cc2nnc(C)o2)C1 ZINC001030278214 640726997 /nfs/dbraw/zinc/72/69/97/640726997.db2.gz DBCVKQQEYLABBH-UHFFFAOYSA-N 1 2 224.264 -0.259 20 0 BBADLO CC[NH+]1CC(NC(=O)c2ncn(C)n2)C1 ZINC001030278770 640725804 /nfs/dbraw/zinc/72/58/04/640725804.db2.gz VREPIYJEJNXXMB-UHFFFAOYSA-N 1 2 209.253 -0.751 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)[C@H]1CC1(F)F ZINC001030279228 640725093 /nfs/dbraw/zinc/72/50/93/640725093.db2.gz HZSQFSGFZSKUOS-MRVPVSSYSA-N 1 2 234.246 -0.176 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)[C@@H]1CC1(F)F ZINC001030279229 640725747 /nfs/dbraw/zinc/72/57/47/640725747.db2.gz HZSQFSGFZSKUOS-QMMMGPOBSA-N 1 2 234.246 -0.176 20 0 BBADLO CCn1ncc(C(=O)NC2C[NH+](CC)C2)n1 ZINC001030280085 640727351 /nfs/dbraw/zinc/72/73/51/640727351.db2.gz CNCDDKFRMBMEMY-UHFFFAOYSA-N 1 2 223.280 -0.268 20 0 BBADLO CCn1nncc1C(=O)NC1C[NH+](CC)C1 ZINC001030282598 640728720 /nfs/dbraw/zinc/72/87/20/640728720.db2.gz ZOAUEENRGHSJAK-UHFFFAOYSA-N 1 2 223.280 -0.268 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)c1ncc[nH]1 ZINC001030283378 640730130 /nfs/dbraw/zinc/73/01/30/640730130.db2.gz ASFWMIZGBUNWRH-UHFFFAOYSA-N 1 2 224.264 -0.794 20 0 BBADLO COC[C@@H](C)[NH+]1CC(NC(=O)c2ncc[nH]2)C1 ZINC001030283411 640729419 /nfs/dbraw/zinc/72/94/19/640729419.db2.gz BSHYOIKGEMQNJW-MRVPVSSYSA-N 1 2 238.291 -0.141 20 0 BBADLO COC[C@H](C)[NH+]1CC(NC(=O)c2ncc[nH]2)C1 ZINC001030283412 640728898 /nfs/dbraw/zinc/72/88/98/640728898.db2.gz BSHYOIKGEMQNJW-QMMMGPOBSA-N 1 2 238.291 -0.141 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)[C@H]1CC1(F)F ZINC001030285309 640729029 /nfs/dbraw/zinc/72/90/29/640729029.db2.gz DMHGTWIXANBXAW-SSDOTTSWSA-N 1 2 220.219 -0.566 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CC1(F)F ZINC001030285310 640728871 /nfs/dbraw/zinc/72/88/71/640728871.db2.gz DMHGTWIXANBXAW-ZETCQYMHSA-N 1 2 220.219 -0.566 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CC2(F)F)C1 ZINC001030286079 640729450 /nfs/dbraw/zinc/72/94/50/640729450.db2.gz LIZJJNVTRWFLLD-HTRCEHHLSA-N 1 2 234.246 -0.177 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CC2(F)F)C1 ZINC001030286080 640728521 /nfs/dbraw/zinc/72/85/21/640728521.db2.gz LIZJJNVTRWFLLD-POYBYMJQSA-N 1 2 234.246 -0.177 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC2(F)F)C1 ZINC001030286082 640730159 /nfs/dbraw/zinc/73/01/59/640730159.db2.gz LIZJJNVTRWFLLD-SVRRBLITSA-N 1 2 234.246 -0.177 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC2(F)F)C1 ZINC001030286083 640729221 /nfs/dbraw/zinc/72/92/21/640729221.db2.gz LIZJJNVTRWFLLD-XPUUQOCRSA-N 1 2 234.246 -0.177 20 0 BBADLO CO[C@H](C)C[NH+]1CC(NC(=O)c2ncc[nH]2)C1 ZINC001030287144 640732182 /nfs/dbraw/zinc/73/21/82/640732182.db2.gz AWSGGDWGDSCIAS-MRVPVSSYSA-N 1 2 238.291 -0.141 20 0 BBADLO CO[C@@H](C)C[NH+]1CC(NC(=O)c2ncc[nH]2)C1 ZINC001030287145 640731178 /nfs/dbraw/zinc/73/11/78/640731178.db2.gz AWSGGDWGDSCIAS-QMMMGPOBSA-N 1 2 238.291 -0.141 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2ncc[nH]2)C1 ZINC001030287184 640731021 /nfs/dbraw/zinc/73/10/21/640731021.db2.gz COMMHGJZUQNIKE-SSDOTTSWSA-N 1 2 224.264 -0.796 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)c2ncc[nH]2)C1 ZINC001030287185 640731569 /nfs/dbraw/zinc/73/15/69/640731569.db2.gz COMMHGJZUQNIKE-ZETCQYMHSA-N 1 2 224.264 -0.796 20 0 BBADLO Cc1c[nH]nc1C(=O)NC1C[NH+](CCCO)C1 ZINC001030288383 640732480 /nfs/dbraw/zinc/73/24/80/640732480.db2.gz BGEKJHSYHFKBOL-UHFFFAOYSA-N 1 2 238.291 -0.485 20 0 BBADLO Cc1c[nH]nc1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030288997 640732796 /nfs/dbraw/zinc/73/27/96/640732796.db2.gz PNRYCSXQROGTBG-MRVPVSSYSA-N 1 2 238.291 -0.487 20 0 BBADLO Cc1c[nH]nc1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030288998 640733760 /nfs/dbraw/zinc/73/37/60/640733760.db2.gz PNRYCSXQROGTBG-QMMMGPOBSA-N 1 2 238.291 -0.487 20 0 BBADLO Cc1nc(CC(=O)NC2C[NH+](CC3CC3)C2)n[nH]1 ZINC001030290252 711830319 /nfs/dbraw/zinc/83/03/19/711830319.db2.gz ZNEILJINGKAONO-UHFFFAOYSA-N 1 2 249.318 -0.134 20 0 BBADLO CC[NH+]1CC(NC(=O)c2cnc(N(C)C)cn2)C1 ZINC001030311671 711830962 /nfs/dbraw/zinc/83/09/62/711830962.db2.gz CYCDGKGIRAOGAO-UHFFFAOYSA-N 1 2 249.318 -0.024 20 0 BBADLO Cc1cnccc1CC(=O)NC1C[NH+](CCO)C1 ZINC001030318949 640756185 /nfs/dbraw/zinc/75/61/85/640756185.db2.gz VQJAVELHFIGCOC-UHFFFAOYSA-N 1 2 249.314 -0.275 20 0 BBADLO CC[NH+]1CC(NC(=O)c2cc(OC)ncn2)C1 ZINC001030322443 640760282 /nfs/dbraw/zinc/76/02/82/640760282.db2.gz AURINIBFMZVWLR-UHFFFAOYSA-N 1 2 236.275 -0.081 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001030343858 640773368 /nfs/dbraw/zinc/77/33/68/640773368.db2.gz TUJJWONSNFHQPV-AUTRQRHGSA-N 1 2 240.303 -0.796 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001030343859 640774023 /nfs/dbraw/zinc/77/40/23/640774023.db2.gz TUJJWONSNFHQPV-PTRXPTGYSA-N 1 2 240.303 -0.796 20 0 BBADLO COCC[NH+]1CC(NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001030344181 640775295 /nfs/dbraw/zinc/77/52/95/640775295.db2.gz ZTVYKSRARSWBQO-CABZTGNLSA-N 1 2 240.303 -0.530 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001030344216 640775483 /nfs/dbraw/zinc/77/54/83/640775483.db2.gz BNUHNHHPSXMQKB-KWQFWETISA-N 1 2 210.277 -0.157 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)[C@]12C[C@H]1COC2 ZINC001030344792 640777665 /nfs/dbraw/zinc/77/76/65/640777665.db2.gz XWQJFBYPVPQODT-CABZTGNLSA-N 1 2 240.303 -0.794 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)C2(C)CC2)C1 ZINC001030352689 640783610 /nfs/dbraw/zinc/78/36/10/640783610.db2.gz WPVUYOLAJQSTPT-MRVPVSSYSA-N 1 2 212.293 -0.032 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)C2(C)CC2)C1 ZINC001030352690 640783687 /nfs/dbraw/zinc/78/36/87/640783687.db2.gz WPVUYOLAJQSTPT-QMMMGPOBSA-N 1 2 212.293 -0.032 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)c1cc[nH]c1 ZINC001030354819 640784404 /nfs/dbraw/zinc/78/44/04/640784404.db2.gz KXXJZIDUGJYPTJ-UHFFFAOYSA-N 1 2 223.276 -0.189 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cc[nH]c2)C1 ZINC001030355010 640784236 /nfs/dbraw/zinc/78/42/36/640784236.db2.gz QMGJUMDWUWOYRO-MRVPVSSYSA-N 1 2 223.276 -0.191 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cc[nH]c2)C1 ZINC001030355011 640783391 /nfs/dbraw/zinc/78/33/91/640783391.db2.gz QMGJUMDWUWOYRO-QMMMGPOBSA-N 1 2 223.276 -0.191 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)c1cc[nH]c1 ZINC001030355196 640786414 /nfs/dbraw/zinc/78/64/14/640786414.db2.gz XTHGAZNIGYFIGJ-UHFFFAOYSA-N 1 2 209.249 -0.579 20 0 BBADLO CC[NH+]1CC(NC(=O)c2cccn3nnnc23)C1 ZINC001030370925 640802045 /nfs/dbraw/zinc/80/20/45/640802045.db2.gz FUSIZVLHUBTPON-UHFFFAOYSA-N 1 2 246.274 -0.442 20 0 BBADLO O=C(Cn1nccn1)NC1C[NH+](CCCF)C1 ZINC001030374713 640803947 /nfs/dbraw/zinc/80/39/47/640803947.db2.gz MCPIKYWBQWFIBG-UHFFFAOYSA-N 1 2 241.270 -0.562 20 0 BBADLO CCN1C[C@H](C(=O)NC2C[NH+](CC)C2)CC1=O ZINC001030396658 640819540 /nfs/dbraw/zinc/81/95/40/640819540.db2.gz ZHDRMZCGUCQZJN-SECBINFHSA-N 1 2 239.319 -0.325 20 0 BBADLO CCN1C[C@@H](C(=O)NC2C[NH+](CC)C2)CC1=O ZINC001030396659 640820176 /nfs/dbraw/zinc/82/01/76/640820176.db2.gz ZHDRMZCGUCQZJN-VIFPVBQESA-N 1 2 239.319 -0.325 20 0 BBADLO CC[NH+]1CC(NC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001030406144 640827774 /nfs/dbraw/zinc/82/77/74/640827774.db2.gz VAGVAXMTUMSDLY-UHFFFAOYSA-N 1 2 246.274 -0.213 20 0 BBADLO Cc1ncc(CC(=O)NC2C[NH+](CCO)C2)o1 ZINC001030434837 640858201 /nfs/dbraw/zinc/85/82/01/640858201.db2.gz MQSHHKADDJSNII-UHFFFAOYSA-N 1 2 239.275 -0.682 20 0 BBADLO CC[NH+]1CC(NC(=O)c2cc3n(n2)CCO3)C1 ZINC001030450829 640865761 /nfs/dbraw/zinc/86/57/61/640865761.db2.gz KMIPUOYDLRXFPZ-UHFFFAOYSA-N 1 2 236.275 -0.291 20 0 BBADLO CC[NH+]1CC(NC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001030452190 640866732 /nfs/dbraw/zinc/86/67/32/640866732.db2.gz QBYBRRVJYLELNF-UHFFFAOYSA-N 1 2 246.274 -0.213 20 0 BBADLO Cc1ccncc1CC(=O)NC1C[NH+](CCO)C1 ZINC001030463877 640868635 /nfs/dbraw/zinc/86/86/35/640868635.db2.gz YZMMMDBALTYALO-UHFFFAOYSA-N 1 2 249.314 -0.275 20 0 BBADLO CC[NH+]1CC(NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001030465441 711834368 /nfs/dbraw/zinc/83/43/68/711834368.db2.gz PJBMZGLSQWHJRB-UHFFFAOYSA-N 1 2 236.275 -0.786 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001030465764 711834393 /nfs/dbraw/zinc/83/43/93/711834393.db2.gz GZANOVDGFYXLTG-WPRPVWTQSA-N 1 2 228.292 -0.389 20 0 BBADLO COC1CC(C(=O)NC2C[NH+](CCO)C2)C1 ZINC001030491666 640880356 /nfs/dbraw/zinc/88/03/56/640880356.db2.gz QGRRFONVKATVSI-UHFFFAOYSA-N 1 2 228.292 -0.796 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)[C@H]1CCC1(F)F ZINC001030500108 640887337 /nfs/dbraw/zinc/88/73/37/640887337.db2.gz FVWCLFAVOSYGPL-MRVPVSSYSA-N 1 2 234.246 -0.176 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CCC1(F)F ZINC001030500110 640886846 /nfs/dbraw/zinc/88/68/46/640886846.db2.gz FVWCLFAVOSYGPL-QMMMGPOBSA-N 1 2 234.246 -0.176 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)c1ccsn1 ZINC001030502142 711835300 /nfs/dbraw/zinc/83/53/00/711835300.db2.gz OVGJGNHGSWKGRQ-UHFFFAOYSA-N 1 2 241.316 -0.061 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2ccsn2)C1 ZINC001030503558 640888235 /nfs/dbraw/zinc/88/82/35/640888235.db2.gz AQMWXEXQAPLBNN-SSDOTTSWSA-N 1 2 241.316 -0.062 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)c2ccsn2)C1 ZINC001030503559 640888275 /nfs/dbraw/zinc/88/82/75/640888275.db2.gz AQMWXEXQAPLBNN-ZETCQYMHSA-N 1 2 241.316 -0.062 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001030521291 640895151 /nfs/dbraw/zinc/89/51/51/640895151.db2.gz LIYNFKXRMSEJNF-GFCCVEGCSA-N 1 2 239.319 -0.277 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001030521292 640894939 /nfs/dbraw/zinc/89/49/39/640894939.db2.gz LIYNFKXRMSEJNF-LBPRGKRZSA-N 1 2 239.319 -0.277 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001030541076 640905674 /nfs/dbraw/zinc/90/56/74/640905674.db2.gz CXELLIIJTYEDIM-SECBINFHSA-N 1 2 239.319 -0.325 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001030541077 640905495 /nfs/dbraw/zinc/90/54/95/640905495.db2.gz CXELLIIJTYEDIM-VIFPVBQESA-N 1 2 239.319 -0.325 20 0 BBADLO C[C@@H]1C[C@H](C(=O)NC2C[NH+](CCO)C2)CO1 ZINC001030560909 640911434 /nfs/dbraw/zinc/91/14/34/640911434.db2.gz PTVHJFCIWKZWLU-BDAKNGLRSA-N 1 2 228.292 -0.796 20 0 BBADLO C[C@H]1C[C@@H](C(=O)NC2C[NH+](CCO)C2)CO1 ZINC001030560910 640911486 /nfs/dbraw/zinc/91/14/86/640911486.db2.gz PTVHJFCIWKZWLU-DTWKUNHWSA-N 1 2 228.292 -0.796 20 0 BBADLO C[C@H]1C[C@H](C(=O)NC2C[NH+](CCO)C2)CO1 ZINC001030560911 640912210 /nfs/dbraw/zinc/91/22/10/640912210.db2.gz PTVHJFCIWKZWLU-IUCAKERBSA-N 1 2 228.292 -0.796 20 0 BBADLO C[C@@H]1C[C@@H](C(=O)NC2C[NH+](CCO)C2)CO1 ZINC001030560912 640912350 /nfs/dbraw/zinc/91/23/50/640912350.db2.gz PTVHJFCIWKZWLU-RKDXNWHRSA-N 1 2 228.292 -0.796 20 0 BBADLO CO[C@@H]1CCC[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030561119 640911609 /nfs/dbraw/zinc/91/16/09/640911609.db2.gz SKGBUFVPYIHJCI-GHMZBOCLSA-N 1 2 242.319 -0.406 20 0 BBADLO CO[C@H]1CCC[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030561120 640912153 /nfs/dbraw/zinc/91/21/53/640912153.db2.gz SKGBUFVPYIHJCI-MNOVXSKESA-N 1 2 242.319 -0.406 20 0 BBADLO CO[C@H]1CCC[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030561121 640911541 /nfs/dbraw/zinc/91/15/41/640911541.db2.gz SKGBUFVPYIHJCI-QWRGUYRKSA-N 1 2 242.319 -0.406 20 0 BBADLO CO[C@@H]1CCC[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030561122 640911978 /nfs/dbraw/zinc/91/19/78/640911978.db2.gz SKGBUFVPYIHJCI-WDEREUQCSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@@H]1C[C@@H](C(=O)NC2C[NH+](CCCO)C2)CO1 ZINC001030561304 640912758 /nfs/dbraw/zinc/91/27/58/640912758.db2.gz UVFOEGHKNNHUBA-NXEZZACHSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H]1C[C@H](C(=O)NC2C[NH+](CCCO)C2)CO1 ZINC001030561305 640913476 /nfs/dbraw/zinc/91/34/76/640913476.db2.gz UVFOEGHKNNHUBA-UWVGGRQHSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H]1C[C@@H](C(=O)NC2C[NH+](CCCO)C2)CO1 ZINC001030561306 640913704 /nfs/dbraw/zinc/91/37/04/640913704.db2.gz UVFOEGHKNNHUBA-VHSXEESVSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@@H]1C[C@H](C(=O)NC2C[NH+](CCCO)C2)CO1 ZINC001030561307 640912954 /nfs/dbraw/zinc/91/29/54/640912954.db2.gz UVFOEGHKNNHUBA-ZJUUUORDSA-N 1 2 242.319 -0.406 20 0 BBADLO CO[C@@H]1CC[C@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001030572184 640921670 /nfs/dbraw/zinc/92/16/70/640921670.db2.gz XJUGCAVZMJQUCC-GXSJLCMTSA-N 1 2 242.319 -0.406 20 0 BBADLO CO[C@H]1CC[C@@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001030572185 640921484 /nfs/dbraw/zinc/92/14/84/640921484.db2.gz XJUGCAVZMJQUCC-KOLCDFICSA-N 1 2 242.319 -0.406 20 0 BBADLO CO[C@@H]1CC[C@@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001030572186 640921217 /nfs/dbraw/zinc/92/12/17/640921217.db2.gz XJUGCAVZMJQUCC-MWLCHTKSSA-N 1 2 242.319 -0.406 20 0 BBADLO CO[C@H]1CC[C@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001030572187 640921537 /nfs/dbraw/zinc/92/15/37/640921537.db2.gz XJUGCAVZMJQUCC-ONGXEEELSA-N 1 2 242.319 -0.406 20 0 BBADLO CCN1CCOC[C@@H]1C(=O)NC1C[NH+](CC)C1 ZINC001030573814 640922746 /nfs/dbraw/zinc/92/27/46/640922746.db2.gz PWVLYTRHINGWBR-LLVKDONJSA-N 1 2 241.335 -0.473 20 0 BBADLO CCN1CCOC[C@H]1C(=O)NC1C[NH+](CC)C1 ZINC001030573815 640922904 /nfs/dbraw/zinc/92/29/04/640922904.db2.gz PWVLYTRHINGWBR-NSHDSACASA-N 1 2 241.335 -0.473 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@@H]2CC(=O)N[C@H](C)C2)C1 ZINC001030590727 640937887 /nfs/dbraw/zinc/93/78/87/640937887.db2.gz NRUALVPUBUVBBP-BDAKNGLRSA-N 1 2 239.319 -0.279 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@H]2CC(=O)N[C@@H](C)C2)C1 ZINC001030590728 640938691 /nfs/dbraw/zinc/93/86/91/640938691.db2.gz NRUALVPUBUVBBP-DTWKUNHWSA-N 1 2 239.319 -0.279 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@@H]2CC(=O)N[C@@H](C)C2)C1 ZINC001030590729 640937974 /nfs/dbraw/zinc/93/79/74/640937974.db2.gz NRUALVPUBUVBBP-IUCAKERBSA-N 1 2 239.319 -0.279 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@H]2CC(=O)N[C@H](C)C2)C1 ZINC001030590730 640938069 /nfs/dbraw/zinc/93/80/69/640938069.db2.gz NRUALVPUBUVBBP-RKDXNWHRSA-N 1 2 239.319 -0.279 20 0 BBADLO O=C(NC1C[NH+](CC2CC2)C1)c1cn[nH]n1 ZINC001030600973 640949210 /nfs/dbraw/zinc/94/92/10/640949210.db2.gz SKMNZSKRDIFBHB-UHFFFAOYSA-N 1 2 221.264 -0.371 20 0 BBADLO C[C@@H](F)CC[NH+]1CC(NC(=O)c2cn[nH]n2)C1 ZINC001030601099 640949502 /nfs/dbraw/zinc/94/95/02/640949502.db2.gz ZATDCGZSKCGOAL-SSDOTTSWSA-N 1 2 241.270 -0.033 20 0 BBADLO C[C@H](F)CC[NH+]1CC(NC(=O)c2cn[nH]n2)C1 ZINC001030601100 640949188 /nfs/dbraw/zinc/94/91/88/640949188.db2.gz ZATDCGZSKCGOAL-ZETCQYMHSA-N 1 2 241.270 -0.033 20 0 BBADLO CC[NH+]1CC(NC(=O)c2cncn2C)C1 ZINC001030622002 640982204 /nfs/dbraw/zinc/98/22/04/640982204.db2.gz BRQAHTDDAFJYBV-UHFFFAOYSA-N 1 2 208.265 -0.146 20 0 BBADLO Cn1cncc1C(=O)NC1C[NH+](CCCO)C1 ZINC001030622015 640983358 /nfs/dbraw/zinc/98/33/58/640983358.db2.gz BYWQZSZZJHMLHN-UHFFFAOYSA-N 1 2 238.291 -0.784 20 0 BBADLO CC[NH+]1CC(NC(=O)c2ccc(C(N)=O)o2)C1 ZINC001030650644 641051595 /nfs/dbraw/zinc/05/15/95/641051595.db2.gz GYNZAVUUHMEAKR-UHFFFAOYSA-N 1 2 237.259 -0.188 20 0 BBADLO CC[NH+]1CC(NC(=O)c2ncc(OC)cn2)C1 ZINC001030652308 641057130 /nfs/dbraw/zinc/05/71/30/641057130.db2.gz JMPLLZLICKTZSK-UHFFFAOYSA-N 1 2 236.275 -0.081 20 0 BBADLO CC[NH+]1CC(NC(=O)c2cc(OC)n(C)n2)C1 ZINC001030655117 641059971 /nfs/dbraw/zinc/05/99/71/641059971.db2.gz ZXOXFZQREGSVMC-UHFFFAOYSA-N 1 2 238.291 -0.137 20 0 BBADLO CC[NH+]1CC(NC(=O)c2ccnc3n[nH]nc32)C1 ZINC001030658189 641070106 /nfs/dbraw/zinc/07/01/06/641070106.db2.gz FDJPVWZPHOASBT-UHFFFAOYSA-N 1 2 246.274 -0.213 20 0 BBADLO CC[NH+]1CC(NC(=O)c2ccnc(OC)n2)C1 ZINC001030660266 641075413 /nfs/dbraw/zinc/07/54/13/641075413.db2.gz DWMWCVLJBTVMLK-UHFFFAOYSA-N 1 2 236.275 -0.081 20 0 BBADLO CC[NH+]1CC(NC(=O)c2ccc3nnnn3c2)C1 ZINC001030673568 641153070 /nfs/dbraw/zinc/15/30/70/641153070.db2.gz TVEHNOKBVRFMCW-UHFFFAOYSA-N 1 2 246.274 -0.442 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)c1cc(F)c[nH]1 ZINC001030691705 641251877 /nfs/dbraw/zinc/25/18/77/641251877.db2.gz KMXJFADMCSZGRC-UHFFFAOYSA-N 1 2 241.266 -0.050 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cc(F)c[nH]2)C1 ZINC001030694734 641259499 /nfs/dbraw/zinc/25/94/99/641259499.db2.gz WAZAWTYZRPGIGT-SSDOTTSWSA-N 1 2 241.266 -0.051 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cc(F)c[nH]2)C1 ZINC001030694735 641258615 /nfs/dbraw/zinc/25/86/15/641258615.db2.gz WAZAWTYZRPGIGT-ZETCQYMHSA-N 1 2 241.266 -0.051 20 0 BBADLO COCC[NH+]1CC(NC(=O)[C@H]2C[C@H](C)CO2)C1 ZINC001030700161 641286314 /nfs/dbraw/zinc/28/63/14/641286314.db2.gz RZTFGDIGZCUJNE-GXSJLCMTSA-N 1 2 242.319 -0.142 20 0 BBADLO COCC[NH+]1CC(NC(=O)[C@@H]2C[C@@H](C)CO2)C1 ZINC001030700162 641285934 /nfs/dbraw/zinc/28/59/34/641285934.db2.gz RZTFGDIGZCUJNE-KOLCDFICSA-N 1 2 242.319 -0.142 20 0 BBADLO COCC[NH+]1CC(NC(=O)[C@H]2C[C@@H](C)CO2)C1 ZINC001030700163 641285035 /nfs/dbraw/zinc/28/50/35/641285035.db2.gz RZTFGDIGZCUJNE-MWLCHTKSSA-N 1 2 242.319 -0.142 20 0 BBADLO COCC[NH+]1CC(NC(=O)[C@@H]2C[C@H](C)CO2)C1 ZINC001030700164 641284793 /nfs/dbraw/zinc/28/47/93/641284793.db2.gz RZTFGDIGZCUJNE-ONGXEEELSA-N 1 2 242.319 -0.142 20 0 BBADLO C[C@@H]1CO[C@@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001030701469 641287108 /nfs/dbraw/zinc/28/71/08/641287108.db2.gz RCYBDGFYSYZATB-GXSJLCMTSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H]1CO[C@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001030701470 641287331 /nfs/dbraw/zinc/28/73/31/641287331.db2.gz RCYBDGFYSYZATB-KOLCDFICSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H]1CO[C@@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001030701471 641288472 /nfs/dbraw/zinc/28/84/72/641288472.db2.gz RCYBDGFYSYZATB-MWLCHTKSSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@@H]1CO[C@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001030701472 641288801 /nfs/dbraw/zinc/28/88/01/641288801.db2.gz RCYBDGFYSYZATB-ONGXEEELSA-N 1 2 242.319 -0.406 20 0 BBADLO CC[NH+]1CC(NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001030706861 641311733 /nfs/dbraw/zinc/31/17/33/641311733.db2.gz VEOJWLZHOKKFCR-UHFFFAOYSA-N 1 2 236.275 -0.786 20 0 BBADLO CC[C@@H]1OCC[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030711260 641316452 /nfs/dbraw/zinc/31/64/52/641316452.db2.gz GLBLLZASDQCIIT-MNOVXSKESA-N 1 2 242.319 -0.406 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001030729710 641327941 /nfs/dbraw/zinc/32/79/41/641327941.db2.gz XOMAONJVHPVDJY-LLVKDONJSA-N 1 2 225.292 -0.667 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001030729711 641327594 /nfs/dbraw/zinc/32/75/94/641327594.db2.gz XOMAONJVHPVDJY-NSHDSACASA-N 1 2 225.292 -0.667 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001030745143 641331162 /nfs/dbraw/zinc/33/11/62/641331162.db2.gz WPYKXSXQNQSZPZ-SECBINFHSA-N 1 2 239.319 -0.277 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001030745144 641331042 /nfs/dbraw/zinc/33/10/42/641331042.db2.gz WPYKXSXQNQSZPZ-VIFPVBQESA-N 1 2 239.319 -0.277 20 0 BBADLO Cc1cncc(CC(=O)NC2C[NH+](CCO)C2)c1 ZINC001030746317 641330354 /nfs/dbraw/zinc/33/03/54/641330354.db2.gz ORQLDRVMGJQNOS-UHFFFAOYSA-N 1 2 249.314 -0.275 20 0 BBADLO CC[NH+]1CC(NC(=O)c2csnn2)C1 ZINC001030753762 641335647 /nfs/dbraw/zinc/33/56/47/641335647.db2.gz BANFUEQFOGJKSS-UHFFFAOYSA-N 1 2 212.278 -0.028 20 0 BBADLO Cc1n[nH]cc1C(=O)NC1C[NH+](CCCO)C1 ZINC001030768622 641342918 /nfs/dbraw/zinc/34/29/18/641342918.db2.gz QODMCGNIAGQZLF-UHFFFAOYSA-N 1 2 238.291 -0.485 20 0 BBADLO Cc1n[nH]cc1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030769167 641343514 /nfs/dbraw/zinc/34/35/14/641343514.db2.gz FGPUEOLHYSICTA-SSDOTTSWSA-N 1 2 238.291 -0.487 20 0 BBADLO Cc1n[nH]cc1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030769321 641343868 /nfs/dbraw/zinc/34/38/68/641343868.db2.gz FGPUEOLHYSICTA-ZETCQYMHSA-N 1 2 238.291 -0.487 20 0 BBADLO Cc1nn[nH]c1C(=O)NC1C[NH+](C(C)C)C1 ZINC001030775496 641347054 /nfs/dbraw/zinc/34/70/54/641347054.db2.gz NZBARJYLECMISX-UHFFFAOYSA-N 1 2 223.280 -0.064 20 0 BBADLO Cc1nn[nH]c1C(=O)NC1C[NH+](CCCF)C1 ZINC001030777159 641347698 /nfs/dbraw/zinc/34/76/98/641347698.db2.gz MTFAZBWNIYUEFE-UHFFFAOYSA-N 1 2 241.270 -0.113 20 0 BBADLO CC[NH+]1CC(NC(=O)c2[nH]nnc2C)C1 ZINC001030777686 641346960 /nfs/dbraw/zinc/34/69/60/641346960.db2.gz IJGUWSMMMHXQHY-UHFFFAOYSA-N 1 2 209.253 -0.453 20 0 BBADLO CC[NH+]1CC(NC(=O)c2ccn3nnnc3c2)C1 ZINC001030783385 641350010 /nfs/dbraw/zinc/35/00/10/641350010.db2.gz LKFPPMLJUNFGKJ-UHFFFAOYSA-N 1 2 246.274 -0.442 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@H]2CC[C@H]2C(N)=O)C1 ZINC001030791931 641354241 /nfs/dbraw/zinc/35/42/41/641354241.db2.gz FFOABMYXJPJURZ-BDAKNGLRSA-N 1 2 225.292 -0.682 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 ZINC001030791932 641354037 /nfs/dbraw/zinc/35/40/37/641354037.db2.gz FFOABMYXJPJURZ-DTWKUNHWSA-N 1 2 225.292 -0.682 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@H]2CC[C@@H]2C(N)=O)C1 ZINC001030791933 641352739 /nfs/dbraw/zinc/35/27/39/641352739.db2.gz FFOABMYXJPJURZ-IUCAKERBSA-N 1 2 225.292 -0.682 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@@H]2CC[C@H]2C(N)=O)C1 ZINC001030791934 641352954 /nfs/dbraw/zinc/35/29/54/641352954.db2.gz FFOABMYXJPJURZ-RKDXNWHRSA-N 1 2 225.292 -0.682 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001030795667 641354988 /nfs/dbraw/zinc/35/49/88/641354988.db2.gz PHDFJOVGCGXWAV-KHQFGBGNSA-N 1 2 212.293 -0.176 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001030795670 641355276 /nfs/dbraw/zinc/35/52/76/641355276.db2.gz PHDFJOVGCGXWAV-NQMVMOMDSA-N 1 2 212.293 -0.176 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001030801989 641358706 /nfs/dbraw/zinc/35/87/06/641358706.db2.gz PHDFJOVGCGXWAV-NRPADANISA-N 1 2 212.293 -0.176 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001030801990 641358879 /nfs/dbraw/zinc/35/88/79/641358879.db2.gz PHDFJOVGCGXWAV-XKSSXDPKSA-N 1 2 212.293 -0.176 20 0 BBADLO CCC[NH+]1CC(NC(=O)c2nnn(C)n2)C1 ZINC001030802413 641361380 /nfs/dbraw/zinc/36/13/80/641361380.db2.gz WRQYHJORTZDUPS-UHFFFAOYSA-N 1 2 224.268 -0.966 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001030805491 641360431 /nfs/dbraw/zinc/36/04/31/641360431.db2.gz QMZFMIGYAFSQQI-VIFPVBQESA-N 1 2 225.292 -0.573 20 0 BBADLO COCC[NH+]1CC(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001030809179 641362608 /nfs/dbraw/zinc/36/26/08/641362608.db2.gz MPDXDFOWKCKRTE-URLYPYJESA-N 1 2 240.303 -0.674 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001030811211 641363237 /nfs/dbraw/zinc/36/32/37/641363237.db2.gz PDZVKTLJCMLUQM-URLYPYJESA-N 1 2 240.303 -0.938 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001030811239 641362922 /nfs/dbraw/zinc/36/29/22/641362922.db2.gz PPENACBSPHDEMG-MYJAWHEDSA-N 1 2 210.277 -0.301 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001030811607 641363546 /nfs/dbraw/zinc/36/35/46/641363546.db2.gz SWERLVGEQJISLN-CPOMMVLXSA-N 1 2 240.303 -0.940 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001030811608 641364384 /nfs/dbraw/zinc/36/43/84/641364384.db2.gz SWERLVGEQJISLN-SNXWAXQRSA-N 1 2 240.303 -0.940 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)c1csc(=O)[nH]1 ZINC001030812515 641364345 /nfs/dbraw/zinc/36/43/45/641364345.db2.gz PZIWOIBMRHREGP-UHFFFAOYSA-N 1 2 243.288 -0.745 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001030818315 641365734 /nfs/dbraw/zinc/36/57/34/641365734.db2.gz PICJIGPMKZMGDK-MYJAWHEDSA-N 1 2 224.304 -0.175 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001030824084 641369318 /nfs/dbraw/zinc/36/93/18/641369318.db2.gz LMYMXXIXSWKOQF-GFCCVEGCSA-N 1 2 239.319 -0.277 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001030824085 641370844 /nfs/dbraw/zinc/37/08/44/641370844.db2.gz LMYMXXIXSWKOQF-LBPRGKRZSA-N 1 2 239.319 -0.277 20 0 BBADLO COCC[NH+]1CC(NC(=O)Cc2cnoc2)C1 ZINC001030827421 641370805 /nfs/dbraw/zinc/37/08/05/641370805.db2.gz APKPAIBZCJEEBH-UHFFFAOYSA-N 1 2 239.275 -0.336 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)Cc2cnoc2)C1 ZINC001030827464 641370763 /nfs/dbraw/zinc/37/07/63/641370763.db2.gz BJZYPIQEQNYZFW-MRVPVSSYSA-N 1 2 239.275 -0.602 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)Cc2cnoc2)C1 ZINC001030827466 641370086 /nfs/dbraw/zinc/37/00/86/641370086.db2.gz BJZYPIQEQNYZFW-QMMMGPOBSA-N 1 2 239.275 -0.602 20 0 BBADLO O=C(Cc1cnoc1)NC1C[NH+](CCO)C1 ZINC001030828800 641373359 /nfs/dbraw/zinc/37/33/59/641373359.db2.gz RVEORTVWLRRLSM-UHFFFAOYSA-N 1 2 225.248 -0.990 20 0 BBADLO O=C(Cc1cnoc1)NC1C[NH+](CCCO)C1 ZINC001030828985 641372029 /nfs/dbraw/zinc/37/20/29/641372029.db2.gz YIIXDCCFBAUVBN-UHFFFAOYSA-N 1 2 239.275 -0.600 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001030829489 641371883 /nfs/dbraw/zinc/37/18/83/641371883.db2.gz QMZFMIGYAFSQQI-SECBINFHSA-N 1 2 225.292 -0.573 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)[C@@]1(F)CCOC1 ZINC001030839136 711844637 /nfs/dbraw/zinc/84/46/37/711844637.db2.gz BYMALQZWAZATCJ-LLVKDONJSA-N 1 2 246.282 -0.702 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)[C@]1(F)CCOC1 ZINC001030839142 711844580 /nfs/dbraw/zinc/84/45/80/711844580.db2.gz BYMALQZWAZATCJ-NSHDSACASA-N 1 2 246.282 -0.702 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@]2(F)CCOC2)C1 ZINC001030841714 641377879 /nfs/dbraw/zinc/37/78/79/641377879.db2.gz KEPGCSHQZYUUTG-JTQLQIEISA-N 1 2 216.256 -0.065 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@@]2(F)CCOC2)C1 ZINC001030841719 641378293 /nfs/dbraw/zinc/37/82/93/641378293.db2.gz KEPGCSHQZYUUTG-SNVBAGLBSA-N 1 2 216.256 -0.065 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CC[C@H](F)C1 ZINC001030855805 641386432 /nfs/dbraw/zinc/38/64/32/641386432.db2.gz MZMLTRSDRFOWSF-BDAKNGLRSA-N 1 2 230.283 -0.083 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)[C@H]1CC[C@@H](F)C1 ZINC001030855806 641386187 /nfs/dbraw/zinc/38/61/87/641386187.db2.gz MZMLTRSDRFOWSF-DTWKUNHWSA-N 1 2 230.283 -0.083 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)[C@H]1CC[C@H](F)C1 ZINC001030855807 641385041 /nfs/dbraw/zinc/38/50/41/641385041.db2.gz MZMLTRSDRFOWSF-IUCAKERBSA-N 1 2 230.283 -0.083 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CC[C@@H](F)C1 ZINC001030855808 641386339 /nfs/dbraw/zinc/38/63/39/641386339.db2.gz MZMLTRSDRFOWSF-RKDXNWHRSA-N 1 2 230.283 -0.083 20 0 BBADLO CC[NH+]1CC(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001030860783 641388159 /nfs/dbraw/zinc/38/81/59/641388159.db2.gz AUOJYDAFHSXLFC-UHFFFAOYSA-N 1 2 222.248 -0.796 20 0 BBADLO NC(=O)C(=O)NC1C[NH+](CCc2ccccc2)C1 ZINC001030882683 641398320 /nfs/dbraw/zinc/39/83/20/641398320.db2.gz HYYRDENJHVNALA-UHFFFAOYSA-N 1 2 247.298 -0.485 20 0 BBADLO NC(=O)C(=O)NC1C[NH+](CC2=CCCCC2)C1 ZINC001030882918 641398174 /nfs/dbraw/zinc/39/81/74/641398174.db2.gz QUCVOBUXZWTQEA-UHFFFAOYSA-N 1 2 237.303 -0.228 20 0 BBADLO C[C@H](F)CC[NH+]1CC(NC(=O)C(N)=O)C1 ZINC001030883182 641398234 /nfs/dbraw/zinc/39/82/34/641398234.db2.gz WRCAEQOKQVEWDU-LURJTMIESA-N 1 2 217.244 -0.980 20 0 BBADLO C[C@@H](F)CC[NH+]1CC(NC(=O)C(N)=O)C1 ZINC001030883183 641398870 /nfs/dbraw/zinc/39/88/70/641398870.db2.gz WRCAEQOKQVEWDU-ZCFIWIBFSA-N 1 2 217.244 -0.980 20 0 BBADLO Cc1ccccc1C[NH+]1CC(NC(=O)C(N)=O)C1 ZINC001030883197 641399052 /nfs/dbraw/zinc/39/90/52/641399052.db2.gz XMYJRDLYXBMMNW-UHFFFAOYSA-N 1 2 247.298 -0.219 20 0 BBADLO NC(=O)C(=O)NC1C[NH+](CC2CC(F)(F)C2)C1 ZINC001030883253 641398550 /nfs/dbraw/zinc/39/85/50/641398550.db2.gz ACHVZUNAMLJGGK-UHFFFAOYSA-N 1 2 247.245 -0.683 20 0 BBADLO C[C@H]1CC[C@H](CC(=O)NC2C[NH+](CCO)C2)O1 ZINC001030898682 641410254 /nfs/dbraw/zinc/41/02/54/641410254.db2.gz WOKPIFOPHJXZJT-GXSJLCMTSA-N 1 2 242.319 -0.263 20 0 BBADLO C[C@@H]1CC[C@@H](CC(=O)NC2C[NH+](CCO)C2)O1 ZINC001030898683 641411019 /nfs/dbraw/zinc/41/10/19/641411019.db2.gz WOKPIFOPHJXZJT-KOLCDFICSA-N 1 2 242.319 -0.263 20 0 BBADLO C[C@@H]1CC[C@H](CC(=O)NC2C[NH+](CCO)C2)O1 ZINC001030898684 641411099 /nfs/dbraw/zinc/41/10/99/641411099.db2.gz WOKPIFOPHJXZJT-MWLCHTKSSA-N 1 2 242.319 -0.263 20 0 BBADLO C[C@H]1CC[C@@H](CC(=O)NC2C[NH+](CCO)C2)O1 ZINC001030898685 641410188 /nfs/dbraw/zinc/41/01/88/641410188.db2.gz WOKPIFOPHJXZJT-ONGXEEELSA-N 1 2 242.319 -0.263 20 0 BBADLO C[C@@H]1C[C@H]1CC(=O)NC1C[NH+](CCO)C1 ZINC001030899103 641408533 /nfs/dbraw/zinc/40/85/33/641408533.db2.gz ZJZMEWZZKUUQBJ-BDAKNGLRSA-N 1 2 212.293 -0.175 20 0 BBADLO C[C@H]1C[C@@H]1CC(=O)NC1C[NH+](CCO)C1 ZINC001030899104 641408067 /nfs/dbraw/zinc/40/80/67/641408067.db2.gz ZJZMEWZZKUUQBJ-DTWKUNHWSA-N 1 2 212.293 -0.175 20 0 BBADLO C[C@H]1C[C@H]1CC(=O)NC1C[NH+](CCO)C1 ZINC001030899105 641409209 /nfs/dbraw/zinc/40/92/09/641409209.db2.gz ZJZMEWZZKUUQBJ-IUCAKERBSA-N 1 2 212.293 -0.175 20 0 BBADLO C[C@@H]1C[C@@H]1CC(=O)NC1C[NH+](CCO)C1 ZINC001030899106 641409274 /nfs/dbraw/zinc/40/92/74/641409274.db2.gz ZJZMEWZZKUUQBJ-RKDXNWHRSA-N 1 2 212.293 -0.175 20 0 BBADLO O=C(CC1=CCOCC1)NC1C[NH+](CCO)C1 ZINC001030906354 641414228 /nfs/dbraw/zinc/41/42/28/641414228.db2.gz LWOLCAZYIVVKRA-UHFFFAOYSA-N 1 2 240.303 -0.484 20 0 BBADLO CC[NH+]1CC(NC(=O)c2n[nH]cc2F)C1 ZINC001030911263 641417746 /nfs/dbraw/zinc/41/77/46/641417746.db2.gz XGUJCDFFLSFXBG-UHFFFAOYSA-N 1 2 212.228 -0.017 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001030913125 641419351 /nfs/dbraw/zinc/41/93/51/641419351.db2.gz VYONCKFXEJUMJU-NSHDSACASA-N 1 2 225.292 -0.525 20 0 BBADLO Cc1c(C(=O)NC2C[NH+](CCO)C2)ccn1C ZINC001030914125 641419155 /nfs/dbraw/zinc/41/91/55/641419155.db2.gz FYPNGLOJCVQURZ-UHFFFAOYSA-N 1 2 237.303 -0.260 20 0 BBADLO C[C@H]1COCC[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030919171 641421763 /nfs/dbraw/zinc/42/17/63/641421763.db2.gz RMSBYNAPHQEKML-GXSJLCMTSA-N 1 2 242.319 -0.548 20 0 BBADLO C[C@@H]1COCC[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030919236 641422809 /nfs/dbraw/zinc/42/28/09/641422809.db2.gz RMSBYNAPHQEKML-KOLCDFICSA-N 1 2 242.319 -0.548 20 0 BBADLO C[C@@H]1COCC[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030919237 641421692 /nfs/dbraw/zinc/42/16/92/641421692.db2.gz RMSBYNAPHQEKML-MWLCHTKSSA-N 1 2 242.319 -0.548 20 0 BBADLO C[C@H]1COCC[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030919238 641422881 /nfs/dbraw/zinc/42/28/81/641422881.db2.gz RMSBYNAPHQEKML-ONGXEEELSA-N 1 2 242.319 -0.548 20 0 BBADLO C[C@H](C(=O)NC1C[NH+](CCO)C1)[C@H]1CCCO1 ZINC001030923760 641423763 /nfs/dbraw/zinc/42/37/63/641423763.db2.gz ZXKWHVUIIPZMLI-GXSJLCMTSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@@H](C(=O)NC1C[NH+](CCO)C1)[C@@H]1CCCO1 ZINC001030923764 641423799 /nfs/dbraw/zinc/42/37/99/641423799.db2.gz ZXKWHVUIIPZMLI-KOLCDFICSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@@H](C(=O)NC1C[NH+](CCO)C1)[C@H]1CCCO1 ZINC001030923769 641423976 /nfs/dbraw/zinc/42/39/76/641423976.db2.gz ZXKWHVUIIPZMLI-MWLCHTKSSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H](C(=O)NC1C[NH+](CCO)C1)[C@@H]1CCCO1 ZINC001030923773 641423686 /nfs/dbraw/zinc/42/36/86/641423686.db2.gz ZXKWHVUIIPZMLI-ONGXEEELSA-N 1 2 242.319 -0.406 20 0 BBADLO Cc1ccoc1CC(=O)NC1C[NH+](CCO)C1 ZINC001030927228 641425803 /nfs/dbraw/zinc/42/58/03/641425803.db2.gz CFFRBEGGDWKZET-UHFFFAOYSA-N 1 2 238.287 -0.077 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)C1CC2(CC2)C1 ZINC001030932343 641456768 /nfs/dbraw/zinc/45/67/68/641456768.db2.gz WXNQYNFLIXDFJT-UHFFFAOYSA-N 1 2 224.304 -0.031 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001030936811 641465298 /nfs/dbraw/zinc/46/52/98/641465298.db2.gz GRSCGQMNLSHTSA-JTQLQIEISA-N 1 2 239.319 -0.135 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001030936813 641466080 /nfs/dbraw/zinc/46/60/80/641466080.db2.gz GRSCGQMNLSHTSA-SNVBAGLBSA-N 1 2 239.319 -0.135 20 0 BBADLO CC[NH+]1CC(NC(=O)c2cc(C(N)=O)co2)C1 ZINC001030938278 641469284 /nfs/dbraw/zinc/46/92/84/641469284.db2.gz HVMSQJLGBREHNJ-UHFFFAOYSA-N 1 2 237.259 -0.188 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001030948592 641507250 /nfs/dbraw/zinc/50/72/50/641507250.db2.gz LXHLWYFBCWSVMB-LLVKDONJSA-N 1 2 225.292 -0.667 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001030948593 641508350 /nfs/dbraw/zinc/50/83/50/641508350.db2.gz LXHLWYFBCWSVMB-NSHDSACASA-N 1 2 225.292 -0.667 20 0 BBADLO Cc1ncccc1CC(=O)NC1C[NH+](CCO)C1 ZINC001030950499 641511502 /nfs/dbraw/zinc/51/15/02/641511502.db2.gz ZHAGPZYIONBVDO-UHFFFAOYSA-N 1 2 249.314 -0.275 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001030967026 641533291 /nfs/dbraw/zinc/53/32/91/641533291.db2.gz JNDUKBLCFVKUKJ-VHSXEESVSA-N 1 2 239.319 -0.469 20 0 BBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030968639 641534851 /nfs/dbraw/zinc/53/48/51/641534851.db2.gz VNQVJNJNCWTSFK-BDAKNGLRSA-N 1 2 243.282 -0.732 20 0 BBADLO CC[NH+]1CC(NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001030970548 641537115 /nfs/dbraw/zinc/53/71/15/641537115.db2.gz STJBUOXQRUZPRG-UHFFFAOYSA-N 1 2 236.275 -0.453 20 0 BBADLO C[C@@H]1CCO[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030975310 641549646 /nfs/dbraw/zinc/54/96/46/641549646.db2.gz SUFHGLWPRBMWNB-KOLCDFICSA-N 1 2 242.319 -0.406 20 0 BBADLO COCC[NH+]1CC(NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001030975595 641549313 /nfs/dbraw/zinc/54/93/13/641549313.db2.gz BSKZIVJBANZQFW-KOLCDFICSA-N 1 2 242.319 -0.142 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001030976617 641553898 /nfs/dbraw/zinc/55/38/98/641553898.db2.gz PHSUULKWBRHRIX-KKZNHRDASA-N 1 2 242.319 -0.407 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001030976618 641554172 /nfs/dbraw/zinc/55/41/72/641554172.db2.gz PHSUULKWBRHRIX-YWVKMMECSA-N 1 2 242.319 -0.407 20 0 BBADLO CC[C@@H]1C[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030979663 641557510 /nfs/dbraw/zinc/55/75/10/641557510.db2.gz NWJMYZPEAYZGJH-PSASIEDQSA-N 1 2 212.293 -0.175 20 0 BBADLO C[C@@H]1CC[C@H](C(=O)NC2C[NH+](CCCO)C2)O1 ZINC001030983824 641563920 /nfs/dbraw/zinc/56/39/20/641563920.db2.gz FRXGUQMIGXHVSN-MWLCHTKSSA-N 1 2 242.319 -0.263 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001030986764 641566344 /nfs/dbraw/zinc/56/63/44/641566344.db2.gz YOBGFTMMFHTNII-MXWKQRLJSA-N 1 2 240.303 -0.653 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@H](C)[C@H]2CCC(=O)N2)C1 ZINC001030989216 641568272 /nfs/dbraw/zinc/56/82/72/641568272.db2.gz KLUSEESKABIMJN-PSASIEDQSA-N 1 2 239.319 -0.279 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@H](C)[C@@H]2CCC(=O)N2)C1 ZINC001030989217 641567718 /nfs/dbraw/zinc/56/77/18/641567718.db2.gz KLUSEESKABIMJN-SCZZXKLOSA-N 1 2 239.319 -0.279 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@@H](C)[C@H]2CCC(=O)N2)C1 ZINC001030989218 641567996 /nfs/dbraw/zinc/56/79/96/641567996.db2.gz KLUSEESKABIMJN-WCBMZHEXSA-N 1 2 239.319 -0.279 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@@H](C)[C@@H]2CCC(=O)N2)C1 ZINC001030989219 641567444 /nfs/dbraw/zinc/56/74/44/641567444.db2.gz KLUSEESKABIMJN-WPRPVWTQSA-N 1 2 239.319 -0.279 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)c1ccnnc1 ZINC001031003883 641582318 /nfs/dbraw/zinc/58/23/18/641582318.db2.gz LMFQHMILBJBEDI-UHFFFAOYSA-N 1 2 236.275 -0.727 20 0 BBADLO CC[NH+]1CC(NC(=O)c2ccnnc2)C1 ZINC001031003951 641582048 /nfs/dbraw/zinc/58/20/48/641582048.db2.gz OFZYASJWRBOBFF-UHFFFAOYSA-N 1 2 206.249 -0.090 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2ccnnc2)C1 ZINC001031005061 641582900 /nfs/dbraw/zinc/58/29/00/641582900.db2.gz KDPLSRYJGNUTNB-MRVPVSSYSA-N 1 2 236.275 -0.729 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)c2ccnnc2)C1 ZINC001031005062 641582685 /nfs/dbraw/zinc/58/26/85/641582685.db2.gz KDPLSRYJGNUTNB-QMMMGPOBSA-N 1 2 236.275 -0.729 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CC23CC3)C1 ZINC001031006195 641583618 /nfs/dbraw/zinc/58/36/18/641583618.db2.gz MYINNZJRKLJFTM-PSASIEDQSA-N 1 2 224.304 -0.032 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC23CC3)C1 ZINC001031006196 641583262 /nfs/dbraw/zinc/58/32/62/641583262.db2.gz MYINNZJRKLJFTM-SCZZXKLOSA-N 1 2 224.304 -0.032 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CC23CC3)C1 ZINC001031006197 641584076 /nfs/dbraw/zinc/58/40/76/641584076.db2.gz MYINNZJRKLJFTM-WCBMZHEXSA-N 1 2 224.304 -0.032 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC23CC3)C1 ZINC001031006198 641583814 /nfs/dbraw/zinc/58/38/14/641583814.db2.gz MYINNZJRKLJFTM-WPRPVWTQSA-N 1 2 224.304 -0.032 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)[C@@H]1CC12CC2 ZINC001031007288 641583875 /nfs/dbraw/zinc/58/38/75/641583875.db2.gz DJZGRBIGFUGLAD-JTQLQIEISA-N 1 2 224.304 -0.031 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)[C@H]1CC12CC2 ZINC001031007289 641584139 /nfs/dbraw/zinc/58/41/39/641584139.db2.gz DJZGRBIGFUGLAD-SNVBAGLBSA-N 1 2 224.304 -0.031 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)[C@H]1CC12CC2 ZINC001031009747 641586139 /nfs/dbraw/zinc/58/61/39/641586139.db2.gz MRMWORDARRZYGK-SECBINFHSA-N 1 2 210.277 -0.421 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CC12CC2 ZINC001031009748 641586511 /nfs/dbraw/zinc/58/65/11/641586511.db2.gz MRMWORDARRZYGK-VIFPVBQESA-N 1 2 210.277 -0.421 20 0 BBADLO O=C(Cc1c[nH]cn1)NC1C[NH+](CCCO)C1 ZINC001031015949 641595634 /nfs/dbraw/zinc/59/56/34/641595634.db2.gz VLJVGMQVAWAVSO-UHFFFAOYSA-N 1 2 238.291 -0.865 20 0 BBADLO O=C(Cc1c[nH]c[nH+]1)NC1CN(CCF)C1 ZINC001031016263 641596610 /nfs/dbraw/zinc/59/66/10/641596610.db2.gz GKUBAGNFIZOPAR-UHFFFAOYSA-N 1 2 226.255 -0.278 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CC12CCC2 ZINC001031023011 641600111 /nfs/dbraw/zinc/60/01/11/641600111.db2.gz PMJQZMQWKYAFKB-JTQLQIEISA-N 1 2 224.304 -0.031 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)[C@H]1CC12CCC2 ZINC001031023012 641599570 /nfs/dbraw/zinc/59/95/70/641599570.db2.gz PMJQZMQWKYAFKB-SNVBAGLBSA-N 1 2 224.304 -0.031 20 0 BBADLO CC[NH+]1CC(NC(=O)c2cncc(OC)n2)C1 ZINC001031054232 641669727 /nfs/dbraw/zinc/66/97/27/641669727.db2.gz IGGGBIAEWRMWMC-UHFFFAOYSA-N 1 2 236.275 -0.081 20 0 BBADLO Cc1c[nH]c(C(=O)NC2C[NH+](C[C@@H](C)O)C2)n1 ZINC001031078576 641686187 /nfs/dbraw/zinc/68/61/87/641686187.db2.gz OSZVDIQJJQBVEN-MRVPVSSYSA-N 1 2 238.291 -0.487 20 0 BBADLO Cc1c[nH]c(C(=O)NC2C[NH+](C[C@H](C)O)C2)n1 ZINC001031078577 641685012 /nfs/dbraw/zinc/68/50/12/641685012.db2.gz OSZVDIQJJQBVEN-QMMMGPOBSA-N 1 2 238.291 -0.487 20 0 BBADLO Cc1c[nH]c(C(=O)NC2C[NH+](CCCO)C2)n1 ZINC001031079462 641686301 /nfs/dbraw/zinc/68/63/01/641686301.db2.gz SXPWNBIPAVIAOB-UHFFFAOYSA-N 1 2 238.291 -0.485 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1C[C@H]1C1CC1 ZINC001031081524 641684914 /nfs/dbraw/zinc/68/49/14/641684914.db2.gz WPSHOBZACOCWRH-WDEREUQCSA-N 1 2 224.304 -0.175 20 0 BBADLO CCC[NH+]1CC(NC(=O)c2cnn(C)n2)C1 ZINC001031096797 641699828 /nfs/dbraw/zinc/69/98/28/641699828.db2.gz DERGQPBYFRDNNL-UHFFFAOYSA-N 1 2 223.280 -0.361 20 0 BBADLO CC(C)C[NH+]1CC(NC(=O)c2ncn[nH]2)C1 ZINC001031123000 641720638 /nfs/dbraw/zinc/72/06/38/641720638.db2.gz BTYHFPIHKPVANL-UHFFFAOYSA-N 1 2 223.280 -0.125 20 0 BBADLO CC(C)C[NH+]1CC(NC(=O)c2nnc[nH]2)C1 ZINC001031123000 641720633 /nfs/dbraw/zinc/72/06/33/641720633.db2.gz BTYHFPIHKPVANL-UHFFFAOYSA-N 1 2 223.280 -0.125 20 0 BBADLO O=C(NC1C[NH+](CC2CC2)C1)c1nnc[nH]1 ZINC001031123466 641720587 /nfs/dbraw/zinc/72/05/87/641720587.db2.gz UDNRVQQLTJMWDR-UHFFFAOYSA-N 1 2 221.264 -0.371 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2ccncn2)C1 ZINC001031124195 641720300 /nfs/dbraw/zinc/72/03/00/641720300.db2.gz BLGYUKUQBWEZGY-MRVPVSSYSA-N 1 2 236.275 -0.729 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)c2ccncn2)C1 ZINC001031124196 641719867 /nfs/dbraw/zinc/71/98/67/641719867.db2.gz BLGYUKUQBWEZGY-QMMMGPOBSA-N 1 2 236.275 -0.729 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)c1ccncn1 ZINC001031124717 641719605 /nfs/dbraw/zinc/71/96/05/641719605.db2.gz ODCWVENYUPLTNW-UHFFFAOYSA-N 1 2 236.275 -0.727 20 0 BBADLO CC[NH+]1CC(NC(=O)c2ccncn2)C1 ZINC001031124811 641720012 /nfs/dbraw/zinc/72/00/12/641720012.db2.gz RHAVLKFNZQAYBL-UHFFFAOYSA-N 1 2 206.249 -0.090 20 0 BBADLO CC[NH+]1CC(NC(=O)c2nc3ncccn3n2)C1 ZINC001031125134 641720199 /nfs/dbraw/zinc/72/01/99/641720199.db2.gz DTCIPQDYVYKZJZ-UHFFFAOYSA-N 1 2 246.274 -0.442 20 0 BBADLO CC(C)[NH+]1CC(NC(=O)c2cnon2)C1 ZINC001031127122 641723009 /nfs/dbraw/zinc/72/30/09/641723009.db2.gz SLMYYCBHROBIOW-UHFFFAOYSA-N 1 2 210.237 -0.108 20 0 BBADLO O=C(NC1C[NH+](CC2CC2)C1)c1cnon1 ZINC001031127893 641724980 /nfs/dbraw/zinc/72/49/80/641724980.db2.gz ZUKRLUDGWOLBBE-UHFFFAOYSA-N 1 2 222.248 -0.106 20 0 BBADLO O=C(Cc1ccco1)NC1C[NH+](CCO)C1 ZINC001031128929 641725137 /nfs/dbraw/zinc/72/51/37/641725137.db2.gz WYQZVYSRUFCSIR-UHFFFAOYSA-N 1 2 224.260 -0.385 20 0 BBADLO CCC[NH+]1CC(NC(=O)c2cnon2)C1 ZINC001031129533 641723819 /nfs/dbraw/zinc/72/38/19/641723819.db2.gz RIVUXPOIHVGONE-UHFFFAOYSA-N 1 2 210.237 -0.106 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2ncccn2)C1 ZINC001031130635 641724424 /nfs/dbraw/zinc/72/44/24/641724424.db2.gz CFRFGOYPPZXCHG-MRVPVSSYSA-N 1 2 236.275 -0.729 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)c2ncccn2)C1 ZINC001031130636 641723978 /nfs/dbraw/zinc/72/39/78/641723978.db2.gz CFRFGOYPPZXCHG-QMMMGPOBSA-N 1 2 236.275 -0.729 20 0 BBADLO CC[NH+]1CC(NC(=O)c2cccnn2)C1 ZINC001031132361 641727034 /nfs/dbraw/zinc/72/70/34/641727034.db2.gz CXKWTZYWAFIBQU-UHFFFAOYSA-N 1 2 206.249 -0.090 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)c1ncccn1 ZINC001031132469 641726518 /nfs/dbraw/zinc/72/65/18/641726518.db2.gz CNDJRLHKMJSJIC-UHFFFAOYSA-N 1 2 236.275 -0.727 20 0 BBADLO CC[NH+]1CC(NC(=O)c2ncccn2)C1 ZINC001031132988 641727192 /nfs/dbraw/zinc/72/71/92/641727192.db2.gz LDMNAWZCOZJXOF-UHFFFAOYSA-N 1 2 206.249 -0.090 20 0 BBADLO O=C(NC1C[NH+](CCCO)C1)c1cccnn1 ZINC001031133639 641726277 /nfs/dbraw/zinc/72/62/77/641726277.db2.gz XGBDNYMJZTTWTO-UHFFFAOYSA-N 1 2 236.275 -0.727 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cccnn2)C1 ZINC001031134189 641728385 /nfs/dbraw/zinc/72/83/85/641728385.db2.gz MXJDNCLFWUJNQX-MRVPVSSYSA-N 1 2 236.275 -0.729 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cccnn2)C1 ZINC001031134190 641728472 /nfs/dbraw/zinc/72/84/72/641728472.db2.gz MXJDNCLFWUJNQX-QMMMGPOBSA-N 1 2 236.275 -0.729 20 0 BBADLO COCC[NH+]1CC(NC(=O)Cc2ncc[nH]2)C1 ZINC001031145116 641733861 /nfs/dbraw/zinc/73/38/61/641733861.db2.gz KUVVEGYTPHEGDW-UHFFFAOYSA-N 1 2 238.291 -0.601 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)Cc2ncc[nH]2)C1 ZINC001031145161 641733870 /nfs/dbraw/zinc/73/38/70/641733870.db2.gz MWUXOYPXCJWERM-MRVPVSSYSA-N 1 2 238.291 -0.867 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)Cc2ncc[nH]2)C1 ZINC001031145162 641734133 /nfs/dbraw/zinc/73/41/33/641734133.db2.gz MWUXOYPXCJWERM-QMMMGPOBSA-N 1 2 238.291 -0.867 20 0 BBADLO O=C(Cc1[nH]cc[nH+]1)NC1CN(CCF)C1 ZINC001031145358 641733612 /nfs/dbraw/zinc/73/36/12/641733612.db2.gz VYWKBCYKVFYTIQ-UHFFFAOYSA-N 1 2 226.255 -0.278 20 0 BBADLO O=C(Cc1ncc[nH]1)NC1C[NH+](CCCO)C1 ZINC001031146599 641735406 /nfs/dbraw/zinc/73/54/06/641735406.db2.gz JVEVBUCKQVRNTC-UHFFFAOYSA-N 1 2 238.291 -0.865 20 0 BBADLO COCC[NH+]1CC(NC(=O)[C@@H]2CCO[C@H]2C)C1 ZINC001031146976 641737162 /nfs/dbraw/zinc/73/71/62/641737162.db2.gz PGIWQXSZZGFHGO-GXSJLCMTSA-N 1 2 242.319 -0.142 20 0 BBADLO COCC[NH+]1CC(NC(=O)[C@H]2CCO[C@@H]2C)C1 ZINC001031146977 641735990 /nfs/dbraw/zinc/73/59/90/641735990.db2.gz PGIWQXSZZGFHGO-KOLCDFICSA-N 1 2 242.319 -0.142 20 0 BBADLO COCC[NH+]1CC(NC(=O)[C@@H]2CCO[C@@H]2C)C1 ZINC001031146978 641737247 /nfs/dbraw/zinc/73/72/47/641737247.db2.gz PGIWQXSZZGFHGO-MWLCHTKSSA-N 1 2 242.319 -0.142 20 0 BBADLO COCC[NH+]1CC(NC(=O)[C@H]2CCO[C@H]2C)C1 ZINC001031146979 641736781 /nfs/dbraw/zinc/73/67/81/641736781.db2.gz PGIWQXSZZGFHGO-ONGXEEELSA-N 1 2 242.319 -0.142 20 0 BBADLO COCC[NH+]1CC(NC(=O)[C@]2(C)CCOC2)C1 ZINC001031147536 641737627 /nfs/dbraw/zinc/73/76/27/641737627.db2.gz BMWHCRRARQCFKJ-GFCCVEGCSA-N 1 2 242.319 -0.140 20 0 BBADLO COCC[NH+]1CC(NC(=O)[C@@]2(C)CCOC2)C1 ZINC001031147539 641736361 /nfs/dbraw/zinc/73/63/61/641736361.db2.gz BMWHCRRARQCFKJ-LBPRGKRZSA-N 1 2 242.319 -0.140 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@]2(C)CCOC2)C1 ZINC001031148027 641736694 /nfs/dbraw/zinc/73/66/94/641736694.db2.gz FTVNIAPCMNVDBM-BXKDBHETSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@]2(C)CCOC2)C1 ZINC001031148029 641736030 /nfs/dbraw/zinc/73/60/30/641736030.db2.gz FTVNIAPCMNVDBM-CABZTGNLSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@]2(C)CCOC2)C1 ZINC001031148030 641735873 /nfs/dbraw/zinc/73/58/73/641735873.db2.gz FTVNIAPCMNVDBM-JOYOIKCWSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@]2(C)CCOC2)C1 ZINC001031148032 641737685 /nfs/dbraw/zinc/73/76/85/641737685.db2.gz FTVNIAPCMNVDBM-SKDRFNHKSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H]1OCC[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001031148271 641736002 /nfs/dbraw/zinc/73/60/02/641736002.db2.gz BYRGFDHONMZADN-PSASIEDQSA-N 1 2 228.292 -0.796 20 0 BBADLO C[C@H]1OCC[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001031148272 641736516 /nfs/dbraw/zinc/73/65/16/641736516.db2.gz BYRGFDHONMZADN-SCZZXKLOSA-N 1 2 228.292 -0.796 20 0 BBADLO C[C@@H]1OCC[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001031148273 641737707 /nfs/dbraw/zinc/73/77/07/641737707.db2.gz BYRGFDHONMZADN-WCBMZHEXSA-N 1 2 228.292 -0.796 20 0 BBADLO C[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001031148274 641737298 /nfs/dbraw/zinc/73/72/98/641737298.db2.gz BYRGFDHONMZADN-WPRPVWTQSA-N 1 2 228.292 -0.796 20 0 BBADLO C[C@@H]1OCC[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001031149577 641739336 /nfs/dbraw/zinc/73/93/36/641739336.db2.gz NCWNDPCMODIMFG-GXSJLCMTSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H]1OCC[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001031149578 641738999 /nfs/dbraw/zinc/73/89/99/641738999.db2.gz NCWNDPCMODIMFG-KOLCDFICSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H]1OCC[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001031149579 641739526 /nfs/dbraw/zinc/73/95/26/641739526.db2.gz NCWNDPCMODIMFG-MWLCHTKSSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001031149580 641739260 /nfs/dbraw/zinc/73/92/60/641739260.db2.gz NCWNDPCMODIMFG-ONGXEEELSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@@]1(C(=O)NC2C[NH+](CCCO)C2)CCOC1 ZINC001031150633 641739787 /nfs/dbraw/zinc/73/97/87/641739787.db2.gz HBHLMGSXYQONHZ-GFCCVEGCSA-N 1 2 242.319 -0.404 20 0 BBADLO C[C@]1(C(=O)NC2C[NH+](CCCO)C2)CCOC1 ZINC001031150634 641739701 /nfs/dbraw/zinc/73/97/01/641739701.db2.gz HBHLMGSXYQONHZ-LBPRGKRZSA-N 1 2 242.319 -0.404 20 0 BBADLO C[C@@H]1C[C@H](C(=O)NC2C[NH+](CCO)C2)CCO1 ZINC001031153457 641743143 /nfs/dbraw/zinc/74/31/43/641743143.db2.gz OLPLVMBLUWSNHM-NXEZZACHSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H]1C[C@@H](C(=O)NC2C[NH+](CCO)C2)CCO1 ZINC001031153458 641742700 /nfs/dbraw/zinc/74/27/00/641742700.db2.gz OLPLVMBLUWSNHM-UWVGGRQHSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@H]1C[C@H](C(=O)NC2C[NH+](CCO)C2)CCO1 ZINC001031153459 641743498 /nfs/dbraw/zinc/74/34/98/641743498.db2.gz OLPLVMBLUWSNHM-VHSXEESVSA-N 1 2 242.319 -0.406 20 0 BBADLO C[C@@H]1C[C@@H](C(=O)NC2C[NH+](CCO)C2)CCO1 ZINC001031153460 641742766 /nfs/dbraw/zinc/74/27/66/641742766.db2.gz OLPLVMBLUWSNHM-ZJUUUORDSA-N 1 2 242.319 -0.406 20 0 BBADLO CCn1cc(C(=O)NC2C[NH+](CC)C2)nn1 ZINC001031163028 641756448 /nfs/dbraw/zinc/75/64/48/641756448.db2.gz RKHIBYNLFBJWIX-UHFFFAOYSA-N 1 2 223.280 -0.268 20 0 BBADLO CC[NH+]1CC(NC(=O)Cc2nonc2C)C1 ZINC001031183766 641788011 /nfs/dbraw/zinc/78/80/11/641788011.db2.gz FLDLGGWSZSSJEJ-UHFFFAOYSA-N 1 2 224.264 -0.259 20 0 BBADLO CC[NH+]1CC(NC(=O)c2cnc(OC)nc2)C1 ZINC001031194764 641797489 /nfs/dbraw/zinc/79/74/89/641797489.db2.gz YWDPDGWYNPFPNG-UHFFFAOYSA-N 1 2 236.275 -0.081 20 0 BBADLO CC[NH+]1CC(NC(=O)c2ccc(OC)nn2)C1 ZINC001031201655 641805581 /nfs/dbraw/zinc/80/55/81/641805581.db2.gz IHARXADPHXNDIU-UHFFFAOYSA-N 1 2 236.275 -0.081 20 0 BBADLO Cc1conc1C(=O)NC1C[NH+](CCCO)C1 ZINC001031208576 641815257 /nfs/dbraw/zinc/81/52/57/641815257.db2.gz CVYJKKGKMMFHIZ-UHFFFAOYSA-N 1 2 239.275 -0.221 20 0 BBADLO Cc1conc1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001031209775 641818353 /nfs/dbraw/zinc/81/83/53/641818353.db2.gz QYNZAWSMRRBHOW-MRVPVSSYSA-N 1 2 239.275 -0.222 20 0 BBADLO Cc1conc1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001031209779 641818744 /nfs/dbraw/zinc/81/87/44/641818744.db2.gz QYNZAWSMRRBHOW-QMMMGPOBSA-N 1 2 239.275 -0.222 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1C[C@@]12CCOC2 ZINC001031220174 641826027 /nfs/dbraw/zinc/82/60/27/641826027.db2.gz SEVVHNDZGDGTKM-CMPLNLGQSA-N 1 2 240.303 -0.794 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1C[C@]12CCOC2 ZINC001031220175 641826418 /nfs/dbraw/zinc/82/64/18/641826418.db2.gz SEVVHNDZGDGTKM-JQWIXIFHSA-N 1 2 240.303 -0.794 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)[C@H]1C[C@]12CCOC2 ZINC001031220177 641826200 /nfs/dbraw/zinc/82/62/00/641826200.db2.gz SEVVHNDZGDGTKM-PWSUYJOCSA-N 1 2 240.303 -0.794 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)[C@H]1C[C@@]12CCOC2 ZINC001031220179 641826067 /nfs/dbraw/zinc/82/60/67/641826067.db2.gz SEVVHNDZGDGTKM-ZYHUDNBSSA-N 1 2 240.303 -0.794 20 0 BBADLO CC[NH+]1CC(NC(=O)C(=O)N2CC[C@@H](C)C2)C1 ZINC001031227223 641828972 /nfs/dbraw/zinc/82/89/72/641828972.db2.gz XVHNBIFZCGTEQC-SECBINFHSA-N 1 2 239.319 -0.325 20 0 BBADLO CC[NH+]1CC(NC(=O)C(=O)N2CC[C@H](C)C2)C1 ZINC001031227224 641828979 /nfs/dbraw/zinc/82/89/79/641828979.db2.gz XVHNBIFZCGTEQC-VIFPVBQESA-N 1 2 239.319 -0.325 20 0 BBADLO O=C(Cc1nc[nH]n1)NC1C[NH+](CCCF)C1 ZINC001031230470 641832682 /nfs/dbraw/zinc/83/26/82/641832682.db2.gz BGPDETNJMDCPBA-UHFFFAOYSA-N 1 2 241.270 -0.493 20 0 BBADLO O=C(Cc1nnc[nH]1)NC1C[NH+](CC2CCC2)C1 ZINC001031231147 641832724 /nfs/dbraw/zinc/83/27/24/641832724.db2.gz RVMHUNRZGXMNEV-UHFFFAOYSA-N 1 2 249.318 -0.052 20 0 BBADLO O=C(Cc1nnc[nH]1)NC1C[NH+](CCC2CC2)C1 ZINC001031231256 641832815 /nfs/dbraw/zinc/83/28/15/641832815.db2.gz WJLNUUQMTNMTKG-UHFFFAOYSA-N 1 2 249.318 -0.052 20 0 BBADLO O=C(Cc1nnc[nH]1)NC1C[NH+](CC2CC2)C1 ZINC001031231257 641832697 /nfs/dbraw/zinc/83/26/97/641832697.db2.gz WKOMKNGPNQJSAH-UHFFFAOYSA-N 1 2 235.291 -0.442 20 0 BBADLO CCCC[NH+]1CC(NC(=O)Cc2nnc[nH]2)C1 ZINC001031231767 641832657 /nfs/dbraw/zinc/83/26/57/641832657.db2.gz KXUAKVPXKKPCJH-UHFFFAOYSA-N 1 2 237.307 -0.052 20 0 BBADLO CCC[NH+]1CC(NC(=O)Cc2nnc[nH]2)C1 ZINC001031231886 641832631 /nfs/dbraw/zinc/83/26/31/641832631.db2.gz PGONUWOXJXWCHR-UHFFFAOYSA-N 1 2 223.280 -0.442 20 0 BBADLO CC(C)C[NH+]1CC(NC(=O)Cc2nnc[nH]2)C1 ZINC001031231927 641832713 /nfs/dbraw/zinc/83/27/13/641832713.db2.gz RDKDURWCAYADHN-UHFFFAOYSA-N 1 2 237.307 -0.196 20 0 BBADLO CC[NH+]1CC(NC(=O)Cc2nc[nH]n2)C1 ZINC001031232052 641832860 /nfs/dbraw/zinc/83/28/60/641832860.db2.gz WKBVCJROWTWKLF-UHFFFAOYSA-N 1 2 209.253 -0.833 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001031250357 641860698 /nfs/dbraw/zinc/86/06/98/641860698.db2.gz GVICDJUOXBQRMN-MRVPVSSYSA-N 1 2 249.318 -0.270 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001031250358 641860452 /nfs/dbraw/zinc/86/04/52/641860452.db2.gz GVICDJUOXBQRMN-QMMMGPOBSA-N 1 2 249.318 -0.270 20 0 BBADLO Cn1c[nH+]cc1CC(=O)NC1CN(CCF)C1 ZINC001031261438 641867733 /nfs/dbraw/zinc/86/77/33/641867733.db2.gz MUEPGWGSWTVSCH-UHFFFAOYSA-N 1 2 240.282 -0.268 20 0 BBADLO CC[NH+]1CC(NC(=O)c2ccc(N(C)C)nn2)C1 ZINC001031270640 641869886 /nfs/dbraw/zinc/86/98/86/641869886.db2.gz VWRYJXYMOIHGET-UHFFFAOYSA-N 1 2 249.318 -0.024 20 0 BBADLO C[C@H](C(=O)NC1C[NH+](CCO)C1)c1cccnc1 ZINC001031274359 641870858 /nfs/dbraw/zinc/87/08/58/641870858.db2.gz KQBGZWHHCWHROH-JTQLQIEISA-N 1 2 249.314 -0.022 20 0 BBADLO C[C@@H](C(=O)NC1C[NH+](CCO)C1)c1cccnc1 ZINC001031274360 641871443 /nfs/dbraw/zinc/87/14/43/641871443.db2.gz KQBGZWHHCWHROH-SNVBAGLBSA-N 1 2 249.314 -0.022 20 0 BBADLO O=C(NC1C[NH+](CCCF)C1)[C@@H]1CCC(=O)N1 ZINC001031280147 641872268 /nfs/dbraw/zinc/87/22/68/641872268.db2.gz BKBPCJAZXJZRLB-VIFPVBQESA-N 1 2 243.282 -0.575 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001031281100 641872718 /nfs/dbraw/zinc/87/27/18/641872718.db2.gz HTFQIFCKTAAPQH-QMMMGPOBSA-N 1 2 211.265 -0.915 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001031283297 641872690 /nfs/dbraw/zinc/87/26/90/641872690.db2.gz QUIRRCVKCOLATI-NSHDSACASA-N 1 2 239.319 -0.182 20 0 BBADLO CC[NH+]1CC(NC(=O)c2cnn(C)c2OC)C1 ZINC001031318039 641962395 /nfs/dbraw/zinc/96/23/95/641962395.db2.gz OWMYEEKXYROKTG-UHFFFAOYSA-N 1 2 238.291 -0.137 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001031321664 641962337 /nfs/dbraw/zinc/96/23/37/641962337.db2.gz GYBKBHHUNVYPCO-JTQLQIEISA-N 1 2 239.319 -0.325 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001031321665 641961740 /nfs/dbraw/zinc/96/17/40/641961740.db2.gz GYBKBHHUNVYPCO-SNVBAGLBSA-N 1 2 239.319 -0.325 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001031329271 641969144 /nfs/dbraw/zinc/96/91/44/641969144.db2.gz OVXGIGRMLVPLBZ-JTQLQIEISA-N 1 2 239.319 -0.182 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001031329272 641969450 /nfs/dbraw/zinc/96/94/50/641969450.db2.gz OVXGIGRMLVPLBZ-SNVBAGLBSA-N 1 2 239.319 -0.182 20 0 BBADLO O=C(NC1C[NH+](CCO)C1)c1ccc(=O)[nH]c1 ZINC001031344758 641982206 /nfs/dbraw/zinc/98/22/06/641982206.db2.gz XHFQDKCLIVPJBZ-UHFFFAOYSA-N 1 2 237.259 -0.807 20 0 BBADLO CC[NH+]1CC(NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001031355116 641990313 /nfs/dbraw/zinc/99/03/13/641990313.db2.gz PIOUSZGXOCRWQD-UHFFFAOYSA-N 1 2 236.275 -0.786 20 0 BBADLO O=C(Cn1cncn1)NC1C[NH+](CCCF)C1 ZINC001031356703 641993251 /nfs/dbraw/zinc/99/32/51/641993251.db2.gz KPZCAPNMHICASO-UHFFFAOYSA-N 1 2 241.270 -0.562 20 0 BBADLO CC[NH+]1CC(NC(=O)c2nccnc2C(N)=O)C1 ZINC001031365608 642012867 /nfs/dbraw/zinc/01/28/67/642012867.db2.gz KYWPFPXXWSODNQ-UHFFFAOYSA-N 1 2 249.274 -0.991 20 0 BBADLO Cc1c[nH]cc1C(=O)NC1C[NH+](CCO)C1 ZINC001031381934 642041792 /nfs/dbraw/zinc/04/17/92/642041792.db2.gz FFKBGBGXJAVBQV-UHFFFAOYSA-N 1 2 223.276 -0.271 20 0 BBADLO Cn1ccc(C(=O)NC2C[NH+](CCCO)C2)n1 ZINC001031386780 642046644 /nfs/dbraw/zinc/04/66/44/642046644.db2.gz QQZZLOKANPASMV-UHFFFAOYSA-N 1 2 238.291 -0.784 20 0 BBADLO CC[NH+]1CC(NC(=O)c2ccn(C)n2)C1 ZINC001031387004 642047988 /nfs/dbraw/zinc/04/79/88/642047988.db2.gz WNFFMBRFYCIYJT-UHFFFAOYSA-N 1 2 208.265 -0.146 20 0 BBADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2ccn(C)n2)C1 ZINC001031388098 642053828 /nfs/dbraw/zinc/05/38/28/642053828.db2.gz JVSRPFDSJKFPJR-MRVPVSSYSA-N 1 2 238.291 -0.785 20 0 BBADLO C[C@H](O)C[NH+]1CC(NC(=O)c2ccn(C)n2)C1 ZINC001031388099 642052665 /nfs/dbraw/zinc/05/26/65/642052665.db2.gz JVSRPFDSJKFPJR-QMMMGPOBSA-N 1 2 238.291 -0.785 20 0 BBADLO CC[NH+]1CC(NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001031393002 642058703 /nfs/dbraw/zinc/05/87/03/642058703.db2.gz GYPBPDTYTLAWFX-UHFFFAOYSA-N 1 2 236.275 -0.453 20 0 BBADLO CCn1cccc1C(=O)NC1C[NH+](CCO)C1 ZINC001031394289 642063825 /nfs/dbraw/zinc/06/38/25/642063825.db2.gz WEYCUWKPHWQLEG-UHFFFAOYSA-N 1 2 237.303 -0.086 20 0 BBADLO Cc1ccc(CC(=O)NC2C[NH+](CCO)C2)cn1 ZINC001031394974 642065214 /nfs/dbraw/zinc/06/52/14/642065214.db2.gz SXLZNBUWEWAWPC-UHFFFAOYSA-N 1 2 249.314 -0.275 20 0 BBADLO O=C(C[C@@H]1CCCOC1)NC1C[NH+](CCO)C1 ZINC001031400045 642075090 /nfs/dbraw/zinc/07/50/90/642075090.db2.gz PGVXZDYOLHJNJP-JTQLQIEISA-N 1 2 242.319 -0.404 20 0 BBADLO O=C(C[C@H]1CCCOC1)NC1C[NH+](CCO)C1 ZINC001031400046 642075432 /nfs/dbraw/zinc/07/54/32/642075432.db2.gz PGVXZDYOLHJNJP-SNVBAGLBSA-N 1 2 242.319 -0.404 20 0 BBADLO CC[NH+]1CC(NC(=O)c2cncc(C(N)=O)c2)C1 ZINC001031403445 642084174 /nfs/dbraw/zinc/08/41/74/642084174.db2.gz GCYPHHFMZPTBNM-UHFFFAOYSA-N 1 2 248.286 -0.386 20 0 BBADLO O=C(Cc1ccc[nH]1)NC1C[NH+](CCO)C1 ZINC001031420436 642116049 /nfs/dbraw/zinc/11/60/49/642116049.db2.gz WVKDNAWIRQQERD-UHFFFAOYSA-N 1 2 223.276 -0.650 20 0 BBADLO CC[NH+]1CC(NC(=O)c2cccnc2C(N)=O)C1 ZINC001031425614 642123314 /nfs/dbraw/zinc/12/33/14/642123314.db2.gz XDEGSLKETVVNPB-UHFFFAOYSA-N 1 2 248.286 -0.386 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001031427289 642125189 /nfs/dbraw/zinc/12/51/89/642125189.db2.gz VLLOMUYWKQETRN-SECBINFHSA-N 1 2 249.318 -0.339 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@H]2CCc3nncn3C2)C1 ZINC001031427290 642125055 /nfs/dbraw/zinc/12/50/55/642125055.db2.gz VLLOMUYWKQETRN-VIFPVBQESA-N 1 2 249.318 -0.339 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001031441834 642152913 /nfs/dbraw/zinc/15/29/13/642152913.db2.gz PDYSLUYEQLYQBI-SECBINFHSA-N 1 2 239.319 -0.325 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001031441835 642151867 /nfs/dbraw/zinc/15/18/67/642151867.db2.gz PDYSLUYEQLYQBI-VIFPVBQESA-N 1 2 239.319 -0.325 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001031453109 711876104 /nfs/dbraw/zinc/87/61/04/711876104.db2.gz QUIRRCVKCOLATI-LLVKDONJSA-N 1 2 239.319 -0.182 20 0 BBADLO CC[NH+]1CC(NC(=O)c2cccc(C(N)=O)n2)C1 ZINC001031456357 642175876 /nfs/dbraw/zinc/17/58/76/642175876.db2.gz SBHRAWZTENBQFY-UHFFFAOYSA-N 1 2 248.286 -0.386 20 0 BBADLO CC[NH+]1CC(NC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001031474009 642190231 /nfs/dbraw/zinc/19/02/31/642190231.db2.gz UKTXGMXDSDBVDQ-UHFFFAOYSA-N 1 2 248.286 -0.386 20 0 BBADLO O=C(Cn1cc[nH+]c1)NC1CN(CCF)C1 ZINC001031476254 642193324 /nfs/dbraw/zinc/19/33/24/642193324.db2.gz DGQWHNOOGCNIBA-UHFFFAOYSA-N 1 2 226.255 -0.347 20 0 BBADLO COCCN1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001031476608 642196605 /nfs/dbraw/zinc/19/66/05/642196605.db2.gz YAXSQSPCWYBWNU-UHFFFAOYSA-N 1 2 238.291 -0.670 20 0 BBADLO CC[NH+]1CC(NC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001031477642 642198004 /nfs/dbraw/zinc/19/80/04/642198004.db2.gz OIFHOESSOONQIA-UHFFFAOYSA-N 1 2 248.286 -0.386 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001031482374 642200428 /nfs/dbraw/zinc/20/04/28/642200428.db2.gz ALWDZSQVZMMXQI-VIFPVBQESA-N 1 2 240.307 -0.650 20 0 BBADLO COCC[NH+]1CC(NC(=O)c2[nH]cnc2C)C1 ZINC001031490995 642216357 /nfs/dbraw/zinc/21/63/57/642216357.db2.gz PCDHORKHZWUOMZ-UHFFFAOYSA-N 1 2 238.291 -0.221 20 0 BBADLO Cc1nc[nH]c1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001031491229 642216859 /nfs/dbraw/zinc/21/68/59/642216859.db2.gz VHBVJXMPESLTBS-SSDOTTSWSA-N 1 2 238.291 -0.487 20 0 BBADLO Cc1nc[nH]c1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001031491230 642216770 /nfs/dbraw/zinc/21/67/70/642216770.db2.gz VHBVJXMPESLTBS-ZETCQYMHSA-N 1 2 238.291 -0.487 20 0 BBADLO Cc1nc[nH]c1C(=O)NC1C[NH+](CCCO)C1 ZINC001031492275 642214555 /nfs/dbraw/zinc/21/45/55/642214555.db2.gz ZSXVQLFEFLOZHR-UHFFFAOYSA-N 1 2 238.291 -0.485 20 0 BBADLO CC[NH+]1CC(NC(=O)[C@H](C)N2CCOCC2)C1 ZINC001031492556 642214193 /nfs/dbraw/zinc/21/41/93/642214193.db2.gz IYODWOHHBFANJR-JTQLQIEISA-N 1 2 241.335 -0.473 20 0 BBADLO CC[NH+]1CC(NC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001031500387 642236161 /nfs/dbraw/zinc/23/61/61/642236161.db2.gz VBIDUWUMJNNMNS-UHFFFAOYSA-N 1 2 248.286 -0.386 20 0 BBADLO CC(=O)NCC1C[NH+](Cc2cncn2C)C1 ZINC001031502583 642234481 /nfs/dbraw/zinc/23/44/81/642234481.db2.gz BWODWBWQOPHTCG-UHFFFAOYSA-N 1 2 222.292 -0.012 20 0 BBADLO CCn1nncc1C[NH+]1CC(CNC(C)=O)C1 ZINC001031502824 642234826 /nfs/dbraw/zinc/23/48/26/642234826.db2.gz KEIDVMNAZLASLO-UHFFFAOYSA-N 1 2 237.307 -0.134 20 0 BBADLO CC(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001031503015 642234677 /nfs/dbraw/zinc/23/46/77/642234677.db2.gz RXKAOXCIOHPBRO-UHFFFAOYSA-N 1 2 213.281 -0.858 20 0 BBADLO CC(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001031503052 642238187 /nfs/dbraw/zinc/23/81/87/642238187.db2.gz UBSMARRAFFQRKZ-UHFFFAOYSA-N 1 2 225.292 -0.713 20 0 BBADLO CC(=O)NCC1C[NH+](Cc2ccnn2C)C1 ZINC001031503145 642238660 /nfs/dbraw/zinc/23/86/60/642238660.db2.gz YEMHMYHJKMARHQ-UHFFFAOYSA-N 1 2 222.292 -0.012 20 0 BBADLO CC(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001031503188 642236790 /nfs/dbraw/zinc/23/67/90/642236790.db2.gz ZZACEQLXHFUTJV-UHFFFAOYSA-N 1 2 225.292 -0.667 20 0 BBADLO CNC(=O)C[NH+]1CC(CNC(=O)C2CC2)C1 ZINC001031507655 642241459 /nfs/dbraw/zinc/24/14/59/642241459.db2.gz CXCHPDYXOBSUIW-UHFFFAOYSA-N 1 2 225.292 -0.810 20 0 BBADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C2CC2)C1 ZINC001031507843 642241982 /nfs/dbraw/zinc/24/19/82/642241982.db2.gz HKPGLEUEZIJYIY-SSDOTTSWSA-N 1 2 225.292 -0.682 20 0 BBADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C2CC2)C1 ZINC001031507844 642241606 /nfs/dbraw/zinc/24/16/06/642241606.db2.gz HKPGLEUEZIJYIY-ZETCQYMHSA-N 1 2 225.292 -0.682 20 0 BBADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)C2CC2)C1 ZINC001031508363 642241580 /nfs/dbraw/zinc/24/15/80/642241580.db2.gz YOOCHYCOJNSICT-UHFFFAOYSA-N 1 2 239.319 -0.467 20 0 BBADLO O=C(NCC1C[NH+]([C@H]2CCNC2=O)C1)C1CC1 ZINC001031508478 642242257 /nfs/dbraw/zinc/24/22/57/642242257.db2.gz GTDQYZTZVCPCBA-JTQLQIEISA-N 1 2 237.303 -0.667 20 0 BBADLO O=C(NCC1C[NH+]([C@@H]2CCNC2=O)C1)C1CC1 ZINC001031508479 642243603 /nfs/dbraw/zinc/24/36/03/642243603.db2.gz GTDQYZTZVCPCBA-SNVBAGLBSA-N 1 2 237.303 -0.667 20 0 BBADLO CNC(=O)C[NH+]1CC(CNC(=O)C2CCC2)C1 ZINC001031509565 642241742 /nfs/dbraw/zinc/24/17/42/642241742.db2.gz QOAYBQRMVJLKEQ-UHFFFAOYSA-N 1 2 239.319 -0.420 20 0 BBADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C2CCC2)C1 ZINC001031510474 642242461 /nfs/dbraw/zinc/24/24/61/642242461.db2.gz VXXDINRCUFNRKM-MRVPVSSYSA-N 1 2 239.319 -0.292 20 0 BBADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C2CCC2)C1 ZINC001031510475 642243538 /nfs/dbraw/zinc/24/35/38/642243538.db2.gz VXXDINRCUFNRKM-QMMMGPOBSA-N 1 2 239.319 -0.292 20 0 BBADLO NC(=O)C[NH+]1CC(CNC(=O)C2CCC2)C1 ZINC001031510848 642245461 /nfs/dbraw/zinc/24/54/61/642245461.db2.gz LVQXIVPAJPHWNR-UHFFFAOYSA-N 1 2 225.292 -0.680 20 0 BBADLO NC(=O)C[NH+]1CC(CNC(=O)c2cccnc2)C1 ZINC001031512049 642240660 /nfs/dbraw/zinc/24/06/60/642240660.db2.gz BEUIUKLAMTUJSL-UHFFFAOYSA-N 1 2 248.286 -0.772 20 0 BBADLO NC(=O)C[NH+]1CC(CNC(=O)C2CCCC2)C1 ZINC001031512567 642242598 /nfs/dbraw/zinc/24/25/98/642242598.db2.gz SNCBDOZDWFNMAF-UHFFFAOYSA-N 1 2 239.319 -0.290 20 0 BBADLO NC(=O)C[NH+]1CC(CNC(=O)c2ccncc2)C1 ZINC001031514368 642244491 /nfs/dbraw/zinc/24/44/91/642244491.db2.gz NUEUUFIODPKDSM-UHFFFAOYSA-N 1 2 248.286 -0.772 20 0 BBADLO NC(=O)C[NH+]1CC(CNC(=O)c2ccccn2)C1 ZINC001031515666 642246408 /nfs/dbraw/zinc/24/64/08/642246408.db2.gz POGMQAYYQBBQLV-UHFFFAOYSA-N 1 2 248.286 -0.772 20 0 BBADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001031519735 642261128 /nfs/dbraw/zinc/26/11/28/642261128.db2.gz HDPHBCYIEZRVIM-PSASIEDQSA-N 1 2 239.319 -0.564 20 0 BBADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[C@H]2C)C1 ZINC001031519737 642259821 /nfs/dbraw/zinc/25/98/21/642259821.db2.gz HDPHBCYIEZRVIM-SCZZXKLOSA-N 1 2 239.319 -0.564 20 0 BBADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]2C)C1 ZINC001031519738 642261505 /nfs/dbraw/zinc/26/15/05/642261505.db2.gz HDPHBCYIEZRVIM-WCBMZHEXSA-N 1 2 239.319 -0.564 20 0 BBADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001031519740 642259826 /nfs/dbraw/zinc/25/98/26/642259826.db2.gz HDPHBCYIEZRVIM-WPRPVWTQSA-N 1 2 239.319 -0.564 20 0 BBADLO NC(=O)C[NH+]1CC(CNC(=O)c2ccccc2)C1 ZINC001031521082 642262411 /nfs/dbraw/zinc/26/24/11/642262411.db2.gz NYOMMNUTJBVRRD-UHFFFAOYSA-N 1 2 247.298 -0.167 20 0 BBADLO C[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031521651 642261958 /nfs/dbraw/zinc/26/19/58/642261958.db2.gz HTWZSRSGTBKYSY-APPZFPTMSA-N 1 2 225.292 -0.824 20 0 BBADLO C[C@H]1C[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031521652 642262467 /nfs/dbraw/zinc/26/24/67/642262467.db2.gz HTWZSRSGTBKYSY-CBAPKCEASA-N 1 2 225.292 -0.824 20 0 BBADLO C[C@H]1C[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031521653 642263417 /nfs/dbraw/zinc/26/34/17/642263417.db2.gz HTWZSRSGTBKYSY-IONNQARKSA-N 1 2 225.292 -0.824 20 0 BBADLO C[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031521654 642263170 /nfs/dbraw/zinc/26/31/70/642263170.db2.gz HTWZSRSGTBKYSY-VXNVDRBHSA-N 1 2 225.292 -0.824 20 0 BBADLO O=C(NCC1C[NH+](CCF)C1)C1=COCCO1 ZINC001031528195 642272928 /nfs/dbraw/zinc/27/29/28/642272928.db2.gz RZHMRCRPDNCRPJ-UHFFFAOYSA-N 1 2 244.266 -0.108 20 0 BBADLO NC(=O)C[NH+]1CC(CNC(=O)c2ccc[nH]2)C1 ZINC001031544084 642290542 /nfs/dbraw/zinc/29/05/42/642290542.db2.gz VTMUGKSIOYRTPD-UHFFFAOYSA-N 1 2 236.275 -0.838 20 0 BBADLO NC(=O)C[NH+]1CC(CNC(=O)c2ccoc2)C1 ZINC001031546740 642292496 /nfs/dbraw/zinc/29/24/96/642292496.db2.gz XIQILLFMZNALHI-UHFFFAOYSA-N 1 2 237.259 -0.574 20 0 BBADLO O=C(NCC1C[NH+](CCF)C1)[C@@H]1COCCO1 ZINC001031556613 642300039 /nfs/dbraw/zinc/30/00/39/642300039.db2.gz AQKRLADZRQITBY-JTQLQIEISA-N 1 2 246.282 -0.581 20 0 BBADLO O=C(NCC1C[NH+](CCF)C1)[C@H]1COCCO1 ZINC001031556615 642299271 /nfs/dbraw/zinc/29/92/71/642299271.db2.gz AQKRLADZRQITBY-SNVBAGLBSA-N 1 2 246.282 -0.581 20 0 BBADLO O=C(NCC1C[NH+](CCF)C1)[C@H]1CCC(=O)N1 ZINC001031584454 642335932 /nfs/dbraw/zinc/33/59/32/642335932.db2.gz CQARJQVXDSWVCJ-SECBINFHSA-N 1 2 243.282 -0.718 20 0 BBADLO NC(=O)C[NH+]1CC(CNC(=O)C2CC=CC2)C1 ZINC001031589835 642345525 /nfs/dbraw/zinc/34/55/25/642345525.db2.gz KMAXXXGIODVUJZ-UHFFFAOYSA-N 1 2 237.303 -0.514 20 0 BBADLO CC1CC(C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001031608717 642375207 /nfs/dbraw/zinc/37/52/07/642375207.db2.gz VOFDFVPVWJPHLZ-UHFFFAOYSA-N 1 2 239.319 -0.434 20 0 BBADLO NC(=O)C[NH+]1CC(CNC(=O)C2=CCCC2)C1 ZINC001031613858 642380820 /nfs/dbraw/zinc/38/08/20/642380820.db2.gz SALHWPQQUJPODX-UHFFFAOYSA-N 1 2 237.303 -0.370 20 0 BBADLO CC1(C)C[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031616906 642389923 /nfs/dbraw/zinc/38/99/23/642389923.db2.gz OGMZBRDWVNNCII-SECBINFHSA-N 1 2 239.319 -0.434 20 0 BBADLO CC1(C)C[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031619838 642394116 /nfs/dbraw/zinc/39/41/16/642394116.db2.gz OGMZBRDWVNNCII-VIFPVBQESA-N 1 2 239.319 -0.434 20 0 BBADLO Cn1nncc1C(=O)NCC1C[NH+](CCF)C1 ZINC001031645718 642437500 /nfs/dbraw/zinc/43/75/00/642437500.db2.gz NBHNZHZWUNJFJA-UHFFFAOYSA-N 1 2 241.270 -0.554 20 0 BBADLO O=C(NCC1C[NH+](CCF)C1)[C@H]1COC(=O)N1 ZINC001031647691 642441381 /nfs/dbraw/zinc/44/13/81/642441381.db2.gz QDPLAPXREUYWER-MRVPVSSYSA-N 1 2 245.254 -0.888 20 0 BBADLO O=C(NCC1C[NH+](CCF)C1)[C@@H]1COC(=O)N1 ZINC001031647692 642441854 /nfs/dbraw/zinc/44/18/54/642441854.db2.gz QDPLAPXREUYWER-QMMMGPOBSA-N 1 2 245.254 -0.888 20 0 BBADLO Cn1cc(C(=O)NCC2C[NH+](CCF)C2)nn1 ZINC001031650883 642461764 /nfs/dbraw/zinc/46/17/64/642461764.db2.gz FFXVWLFAWMNIOB-UHFFFAOYSA-N 1 2 241.270 -0.554 20 0 BBADLO Cn1cnc(C(=O)NCC2C[NH+](CCF)C2)n1 ZINC001031651058 642449942 /nfs/dbraw/zinc/44/99/42/642449942.db2.gz AVTRJKMZFXFXMN-UHFFFAOYSA-N 1 2 241.270 -0.554 20 0 BBADLO NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC2(F)F)C1 ZINC001031656105 642474125 /nfs/dbraw/zinc/47/41/25/642474125.db2.gz SZTUYELZJPIOOI-SSDOTTSWSA-N 1 2 247.245 -0.825 20 0 BBADLO NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001031656106 642474876 /nfs/dbraw/zinc/47/48/76/642474876.db2.gz SZTUYELZJPIOOI-ZETCQYMHSA-N 1 2 247.245 -0.825 20 0 BBADLO NC(=O)C[NH+]1CC(CNC(=O)c2cc[nH]c2)C1 ZINC001031691931 642592591 /nfs/dbraw/zinc/59/25/91/642592591.db2.gz CRJIWMGYFUXVQO-UHFFFAOYSA-N 1 2 236.275 -0.838 20 0 BBADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001031898153 643016414 /nfs/dbraw/zinc/01/64/14/643016414.db2.gz BJIDTGKMRCRQJJ-KHQFGBGNSA-N 1 2 239.319 -0.436 20 0 BBADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001031898157 643015041 /nfs/dbraw/zinc/01/50/41/643015041.db2.gz BJIDTGKMRCRQJJ-NQMVMOMDSA-N 1 2 239.319 -0.436 20 0 BBADLO O=C(NCC1C[NH+](CCF)C1)[C@@H]1CCNC1=O ZINC001031902129 643020512 /nfs/dbraw/zinc/02/05/12/643020512.db2.gz HUTONQIFCVTGKR-SECBINFHSA-N 1 2 243.282 -0.860 20 0 BBADLO O=C(NCC1C[NH+](CCF)C1)[C@H]1CCNC1=O ZINC001031902130 643020604 /nfs/dbraw/zinc/02/06/04/643020604.db2.gz HUTONQIFCVTGKR-VIFPVBQESA-N 1 2 243.282 -0.860 20 0 BBADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001031903637 643025203 /nfs/dbraw/zinc/02/52/03/643025203.db2.gz BJIDTGKMRCRQJJ-NRPADANISA-N 1 2 239.319 -0.436 20 0 BBADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001031903638 643023331 /nfs/dbraw/zinc/02/33/31/643023331.db2.gz BJIDTGKMRCRQJJ-XKSSXDPKSA-N 1 2 239.319 -0.436 20 0 BBADLO O=C(NCC1C[NH+](CCF)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001031913503 711896142 /nfs/dbraw/zinc/89/61/42/711896142.db2.gz ZFEBLSOEFDVHMN-URLYPYJESA-N 1 2 242.294 -0.104 20 0 BBADLO O=C(NCC1C[NH+](CCO)C1)c1[nH]ncc1F ZINC001031956635 643100871 /nfs/dbraw/zinc/10/08/71/643100871.db2.gz ZDFFCWNWXMMIHM-UHFFFAOYSA-N 1 2 242.254 -0.797 20 0 BBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031982582 643152146 /nfs/dbraw/zinc/15/21/46/643152146.db2.gz 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643380346 /nfs/dbraw/zinc/38/03/46/643380346.db2.gz FEVZDULMIDSXFM-QWRGUYRKSA-N 1 2 237.303 -0.476 20 0 BBADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(=O)N1CCC1 ZINC001032235249 643380335 /nfs/dbraw/zinc/38/03/35/643380335.db2.gz FEVZDULMIDSXFM-QWRGUYRKSA-N 1 2 237.303 -0.476 20 0 BBADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)C(N)=O ZINC001032235980 643380811 /nfs/dbraw/zinc/38/08/11/643380811.db2.gz KXSCGIOUJHGKKD-CIUDSAMLSA-N 1 2 225.292 -0.445 20 0 BBADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)C(N)=O ZINC001032235980 643380806 /nfs/dbraw/zinc/38/08/06/643380806.db2.gz KXSCGIOUJHGKKD-CIUDSAMLSA-N 1 2 225.292 -0.445 20 0 BBADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)C(N)=O ZINC001032235981 643380292 /nfs/dbraw/zinc/38/02/92/643380292.db2.gz KXSCGIOUJHGKKD-VGMNWLOBSA-N 1 2 225.292 -0.445 20 0 BBADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)C(N)=O ZINC001032235981 643380288 /nfs/dbraw/zinc/38/02/88/643380288.db2.gz KXSCGIOUJHGKKD-VGMNWLOBSA-N 1 2 225.292 -0.445 20 0 BBADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](CC)C(N)=O ZINC001032236266 643380718 /nfs/dbraw/zinc/38/07/18/643380718.db2.gz OQFIUPNTSTZWBK-GUBZILKMSA-N 1 2 239.319 -0.055 20 0 BBADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](CC)C(N)=O ZINC001032236266 643380717 /nfs/dbraw/zinc/38/07/17/643380717.db2.gz OQFIUPNTSTZWBK-GUBZILKMSA-N 1 2 239.319 -0.055 20 0 BBADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](CC)C(N)=O ZINC001032236267 643381187 /nfs/dbraw/zinc/38/11/87/643381187.db2.gz OQFIUPNTSTZWBK-LPEHRKFASA-N 1 2 239.319 -0.055 20 0 BBADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](CC)C(N)=O ZINC001032236267 643381180 /nfs/dbraw/zinc/38/11/80/643381180.db2.gz OQFIUPNTSTZWBK-LPEHRKFASA-N 1 2 239.319 -0.055 20 0 BBADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC(=O)N(C)C ZINC001032237303 643383109 /nfs/dbraw/zinc/38/31/09/643383109.db2.gz BTHUPUHIHOGLLD-UWVGGRQHSA-N 1 2 239.319 -0.230 20 0 BBADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(=O)N(C)C ZINC001032237303 643383102 /nfs/dbraw/zinc/38/31/02/643383102.db2.gz BTHUPUHIHOGLLD-UWVGGRQHSA-N 1 2 239.319 -0.230 20 0 BBADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(=O)N(C)C ZINC001032239225 643385992 /nfs/dbraw/zinc/38/59/92/643385992.db2.gz AXTCUOUGAIUSTB-UWVGGRQHSA-N 1 2 225.292 -0.620 20 0 BBADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC(=O)N(C)C ZINC001032239225 643385988 /nfs/dbraw/zinc/38/59/88/643385988.db2.gz AXTCUOUGAIUSTB-UWVGGRQHSA-N 1 2 225.292 -0.620 20 0 BBADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCCNC1=O ZINC001032239306 643386262 /nfs/dbraw/zinc/38/62/62/643386262.db2.gz DMXRMCDCLXKOQZ-DCAQKATOSA-N 1 2 237.303 -0.430 20 0 BBADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCCNC1=O ZINC001032239306 643386257 /nfs/dbraw/zinc/38/62/57/643386257.db2.gz DMXRMCDCLXKOQZ-DCAQKATOSA-N 1 2 237.303 -0.430 20 0 BBADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCCNC1=O ZINC001032239307 643385635 /nfs/dbraw/zinc/38/56/35/643385635.db2.gz DMXRMCDCLXKOQZ-GARJFASQSA-N 1 2 237.303 -0.430 20 0 BBADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCCNC1=O ZINC001032239307 643385629 /nfs/dbraw/zinc/38/56/29/643385629.db2.gz DMXRMCDCLXKOQZ-GARJFASQSA-N 1 2 237.303 -0.430 20 0 BBADLO O=C(C(F)F)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032239434 643385581 /nfs/dbraw/zinc/38/55/81/643385581.db2.gz IRKJUCGRTFJFRV-BQBZGAKWSA-N 1 2 220.219 -0.471 20 0 BBADLO O=C(C(F)F)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032239434 643385576 /nfs/dbraw/zinc/38/55/76/643385576.db2.gz IRKJUCGRTFJFRV-BQBZGAKWSA-N 1 2 220.219 -0.471 20 0 BBADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001032239563 643386602 /nfs/dbraw/zinc/38/66/02/643386602.db2.gz LGZNADCZXPLOPA-GUBZILKMSA-N 1 2 223.276 -0.820 20 0 BBADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001032239563 643386595 /nfs/dbraw/zinc/38/65/95/643386595.db2.gz LGZNADCZXPLOPA-GUBZILKMSA-N 1 2 223.276 -0.820 20 0 BBADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001032239564 643386348 /nfs/dbraw/zinc/38/63/48/643386348.db2.gz LGZNADCZXPLOPA-LPEHRKFASA-N 1 2 223.276 -0.820 20 0 BBADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001032239564 643386342 /nfs/dbraw/zinc/38/63/42/643386342.db2.gz LGZNADCZXPLOPA-LPEHRKFASA-N 1 2 223.276 -0.820 20 0 BBADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(C)=O ZINC001032240256 643391597 /nfs/dbraw/zinc/39/15/97/643391597.db2.gz KRKFAONEBHYOIS-HGNGGELXSA-N 1 2 225.292 -0.574 20 0 BBADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(C)=O ZINC001032240256 643391595 /nfs/dbraw/zinc/39/15/95/643391595.db2.gz KRKFAONEBHYOIS-HGNGGELXSA-N 1 2 225.292 -0.574 20 0 BBADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(C)=O ZINC001032240257 643390954 /nfs/dbraw/zinc/39/09/54/643390954.db2.gz KRKFAONEBHYOIS-JEZHCXPESA-N 1 2 225.292 -0.574 20 0 BBADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(C)=O ZINC001032240257 643390949 /nfs/dbraw/zinc/39/09/49/643390949.db2.gz KRKFAONEBHYOIS-JEZHCXPESA-N 1 2 225.292 -0.574 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(C)=O ZINC001032240292 643390830 /nfs/dbraw/zinc/39/08/30/643390830.db2.gz LVKUHAAHPPSNQM-GUBZILKMSA-N 1 2 225.292 -0.445 20 0 BBADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(C)=O ZINC001032240292 643390826 /nfs/dbraw/zinc/39/08/26/643390826.db2.gz LVKUHAAHPPSNQM-GUBZILKMSA-N 1 2 225.292 -0.445 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(C)=O ZINC001032240293 643391746 /nfs/dbraw/zinc/39/17/46/643391746.db2.gz LVKUHAAHPPSNQM-LPEHRKFASA-N 1 2 225.292 -0.445 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(C)=O ZINC001032240293 643391741 /nfs/dbraw/zinc/39/17/41/643391741.db2.gz LVKUHAAHPPSNQM-LPEHRKFASA-N 1 2 225.292 -0.445 20 0 BBADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCN(C)C1=O ZINC001032240521 643390923 /nfs/dbraw/zinc/39/09/23/643390923.db2.gz VDUJXHXJBWOWQV-DCAQKATOSA-N 1 2 237.303 -0.478 20 0 BBADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCN(C)C1=O ZINC001032240521 643390919 /nfs/dbraw/zinc/39/09/19/643390919.db2.gz VDUJXHXJBWOWQV-DCAQKATOSA-N 1 2 237.303 -0.478 20 0 BBADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCN(C)C1=O ZINC001032240522 643390590 /nfs/dbraw/zinc/39/05/90/643390590.db2.gz VDUJXHXJBWOWQV-GARJFASQSA-N 1 2 237.303 -0.478 20 0 BBADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCN(C)C1=O ZINC001032240522 643390581 /nfs/dbraw/zinc/39/05/81/643390581.db2.gz VDUJXHXJBWOWQV-GARJFASQSA-N 1 2 237.303 -0.478 20 0 BBADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)C(=O)N(C)C ZINC001032240576 643391924 /nfs/dbraw/zinc/39/19/24/643391924.db2.gz XMKABBMWDBZVGG-LSJOCFKGSA-N 1 2 239.319 -0.232 20 0 BBADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)C(=O)N(C)C ZINC001032240576 643391915 /nfs/dbraw/zinc/39/19/15/643391915.db2.gz XMKABBMWDBZVGG-LSJOCFKGSA-N 1 2 239.319 -0.232 20 0 BBADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)C(=O)N(C)C ZINC001032240577 643390896 /nfs/dbraw/zinc/39/08/96/643390896.db2.gz XMKABBMWDBZVGG-MIMYLULJSA-N 1 2 239.319 -0.232 20 0 BBADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)C(=O)N(C)C ZINC001032240577 643390892 /nfs/dbraw/zinc/39/08/92/643390892.db2.gz XMKABBMWDBZVGG-MIMYLULJSA-N 1 2 239.319 -0.232 20 0 BBADLO CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)C(N)=O ZINC001032246590 643398101 /nfs/dbraw/zinc/39/81/01/643398101.db2.gz CMIFHNLDBZCZTA-GUBZILKMSA-N 1 2 239.319 -0.055 20 0 BBADLO CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)C(N)=O ZINC001032246590 643398098 /nfs/dbraw/zinc/39/80/98/643398098.db2.gz CMIFHNLDBZCZTA-GUBZILKMSA-N 1 2 239.319 -0.055 20 0 BBADLO CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)C(N)=O ZINC001032246591 643398332 /nfs/dbraw/zinc/39/83/32/643398332.db2.gz CMIFHNLDBZCZTA-UTLUCORTSA-N 1 2 239.319 -0.055 20 0 BBADLO CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)C(N)=O ZINC001032246591 643398327 /nfs/dbraw/zinc/39/83/27/643398327.db2.gz CMIFHNLDBZCZTA-UTLUCORTSA-N 1 2 239.319 -0.055 20 0 BBADLO CC(F)(F)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032247916 711908388 /nfs/dbraw/zinc/90/83/88/711908388.db2.gz DMNHARNFGCAQON-YUMQZZPRSA-N 1 2 234.246 -0.081 20 0 BBADLO CC(F)(F)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032247916 711908387 /nfs/dbraw/zinc/90/83/87/711908387.db2.gz DMNHARNFGCAQON-YUMQZZPRSA-N 1 2 234.246 -0.081 20 0 BBADLO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCF ZINC001032323894 643503265 /nfs/dbraw/zinc/50/32/65/643503265.db2.gz RMSDAHQYIORSPN-YUMQZZPRSA-N 1 2 229.255 -0.884 20 0 BBADLO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCF ZINC001032323894 643503258 /nfs/dbraw/zinc/50/32/58/643503258.db2.gz RMSDAHQYIORSPN-YUMQZZPRSA-N 1 2 229.255 -0.884 20 0 BBADLO O=C(c1cnco1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032548814 711924591 /nfs/dbraw/zinc/92/45/91/711924591.db2.gz FHYGJHLYZBVKOI-IUCAKERBSA-N 1 2 237.259 -0.434 20 0 BBADLO O=C(c1cnco1)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032548814 711924590 /nfs/dbraw/zinc/92/45/90/711924590.db2.gz FHYGJHLYZBVKOI-IUCAKERBSA-N 1 2 237.259 -0.434 20 0 BBADLO CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ncn[nH]1 ZINC001032724428 711934158 /nfs/dbraw/zinc/93/41/58/711934158.db2.gz UKKWFTFJZBMWDZ-IUCAKERBSA-N 1 2 235.291 -0.348 20 0 BBADLO CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ncn[nH]1 ZINC001032724428 711934156 /nfs/dbraw/zinc/93/41/56/711934156.db2.gz UKKWFTFJZBMWDZ-IUCAKERBSA-N 1 2 235.291 -0.348 20 0 BBADLO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001032844590 711962259 /nfs/dbraw/zinc/96/22/59/711962259.db2.gz DULHOCQLSFWPSG-JTQLQIEISA-N 1 2 237.307 -0.132 20 0 BBADLO CC(=O)N(C)[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001032844590 711962257 /nfs/dbraw/zinc/96/22/57/711962257.db2.gz DULHOCQLSFWPSG-JTQLQIEISA-N 1 2 237.307 -0.132 20 0 BBADLO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001032844591 711961891 /nfs/dbraw/zinc/96/18/91/711961891.db2.gz DULHOCQLSFWPSG-SNVBAGLBSA-N 1 2 237.307 -0.132 20 0 BBADLO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001032844591 711961889 /nfs/dbraw/zinc/96/18/89/711961889.db2.gz DULHOCQLSFWPSG-SNVBAGLBSA-N 1 2 237.307 -0.132 20 0 BBADLO CC(=O)N(C)[C@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001032844673 711962197 /nfs/dbraw/zinc/96/21/97/711962197.db2.gz KMUCCMPGLLQOAC-JTQLQIEISA-N 1 2 248.348 -0.416 20 0 BBADLO CC(=O)N(C)[C@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC001032844673 711962193 /nfs/dbraw/zinc/96/21/93/711962193.db2.gz KMUCCMPGLLQOAC-JTQLQIEISA-N 1 2 248.348 -0.416 20 0 BBADLO CC(=O)N(C)[C@@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001032844674 711962394 /nfs/dbraw/zinc/96/23/94/711962394.db2.gz KMUCCMPGLLQOAC-SNVBAGLBSA-N 1 2 248.348 -0.416 20 0 BBADLO CC(=O)N(C)[C@@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC001032844674 711962393 /nfs/dbraw/zinc/96/23/93/711962393.db2.gz KMUCCMPGLLQOAC-SNVBAGLBSA-N 1 2 248.348 -0.416 20 0 BBADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)C(F)F)C1 ZINC001032847639 711961679 /nfs/dbraw/zinc/96/16/79/711961679.db2.gz CRHRYDXOAWTTIJ-BQBZGAKWSA-N 1 2 249.261 -0.342 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)C(F)F)C1 ZINC001032847639 711961675 /nfs/dbraw/zinc/96/16/75/711961675.db2.gz CRHRYDXOAWTTIJ-BQBZGAKWSA-N 1 2 249.261 -0.342 20 0 BBADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)C(F)F)C1 ZINC001032847640 711963242 /nfs/dbraw/zinc/96/32/42/711963242.db2.gz CRHRYDXOAWTTIJ-NKWVEPMBSA-N 1 2 249.261 -0.342 20 0 BBADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)C(F)F)C1 ZINC001032847640 711963241 /nfs/dbraw/zinc/96/32/41/711963241.db2.gz CRHRYDXOAWTTIJ-NKWVEPMBSA-N 1 2 249.261 -0.342 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)C(F)F)C1 ZINC001032847642 711963104 /nfs/dbraw/zinc/96/31/04/711963104.db2.gz CRHRYDXOAWTTIJ-RNFRBKRXSA-N 1 2 249.261 -0.342 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)C(F)F)C1 ZINC001032847642 711963103 /nfs/dbraw/zinc/96/31/03/711963103.db2.gz CRHRYDXOAWTTIJ-RNFRBKRXSA-N 1 2 249.261 -0.342 20 0 BBADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)C(F)F)C1 ZINC001032847643 711962794 /nfs/dbraw/zinc/96/27/94/711962794.db2.gz CRHRYDXOAWTTIJ-RQJHMYQMSA-N 1 2 249.261 -0.342 20 0 BBADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)C(F)F)C1 ZINC001032847643 711962792 /nfs/dbraw/zinc/96/27/92/711962792.db2.gz CRHRYDXOAWTTIJ-RQJHMYQMSA-N 1 2 249.261 -0.342 20 0 BBADLO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C(F)F)C1 ZINC001032849383 711963183 /nfs/dbraw/zinc/96/31/83/711963183.db2.gz NVSALCKHBCPJIZ-SSDOTTSWSA-N 1 2 249.261 -0.470 20 0 BBADLO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C(F)F)C1 ZINC001032849383 711963182 /nfs/dbraw/zinc/96/31/82/711963182.db2.gz NVSALCKHBCPJIZ-SSDOTTSWSA-N 1 2 249.261 -0.470 20 0 BBADLO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C(F)F)C1 ZINC001032849384 711963314 /nfs/dbraw/zinc/96/33/14/711963314.db2.gz NVSALCKHBCPJIZ-ZETCQYMHSA-N 1 2 249.261 -0.470 20 0 BBADLO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C(F)F)C1 ZINC001032849384 711963313 /nfs/dbraw/zinc/96/33/13/711963313.db2.gz NVSALCKHBCPJIZ-ZETCQYMHSA-N 1 2 249.261 -0.470 20 0 BBADLO CN(C(=O)C1CCC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032852482 711964556 /nfs/dbraw/zinc/96/45/56/711964556.db2.gz LFLLYBNUNSOYOJ-JTQLQIEISA-N 1 2 239.319 -0.196 20 0 BBADLO CN(C(=O)C1CCC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001032852482 711964554 /nfs/dbraw/zinc/96/45/54/711964554.db2.gz LFLLYBNUNSOYOJ-JTQLQIEISA-N 1 2 239.319 -0.196 20 0 BBADLO CN(C(=O)C1CCC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032852483 711963754 /nfs/dbraw/zinc/96/37/54/711963754.db2.gz LFLLYBNUNSOYOJ-SNVBAGLBSA-N 1 2 239.319 -0.196 20 0 BBADLO CN(C(=O)C1CCC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001032852483 711963752 /nfs/dbraw/zinc/96/37/52/711963752.db2.gz LFLLYBNUNSOYOJ-SNVBAGLBSA-N 1 2 239.319 -0.196 20 0 BBADLO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001032854535 711964154 /nfs/dbraw/zinc/96/41/54/711964154.db2.gz ZZYOWHGPOUMNJL-LLVKDONJSA-N 1 2 237.307 -0.132 20 0 BBADLO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cn(C)nn2)C1 ZINC001032854535 711964153 /nfs/dbraw/zinc/96/41/53/711964153.db2.gz ZZYOWHGPOUMNJL-LLVKDONJSA-N 1 2 237.307 -0.132 20 0 BBADLO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001032854536 711964150 /nfs/dbraw/zinc/96/41/50/711964150.db2.gz ZZYOWHGPOUMNJL-NSHDSACASA-N 1 2 237.307 -0.132 20 0 BBADLO CC(=O)N(C)[C@H]1CC[N@H+](Cc2cn(C)nn2)C1 ZINC001032854536 711964149 /nfs/dbraw/zinc/96/41/49/711964149.db2.gz ZZYOWHGPOUMNJL-NSHDSACASA-N 1 2 237.307 -0.132 20 0 BBADLO CN(C(=O)C1CC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032857493 711964700 /nfs/dbraw/zinc/96/47/00/711964700.db2.gz UBBAMIDOEXZOGD-SECBINFHSA-N 1 2 225.292 -0.586 20 0 BBADLO CN(C(=O)C1CC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001032857493 711964698 /nfs/dbraw/zinc/96/46/98/711964698.db2.gz UBBAMIDOEXZOGD-SECBINFHSA-N 1 2 225.292 -0.586 20 0 BBADLO CN(C(=O)C1CC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032857494 711965333 /nfs/dbraw/zinc/96/53/33/711965333.db2.gz UBBAMIDOEXZOGD-VIFPVBQESA-N 1 2 225.292 -0.586 20 0 BBADLO CN(C(=O)C1CC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001032857494 711965332 /nfs/dbraw/zinc/96/53/32/711965332.db2.gz UBBAMIDOEXZOGD-VIFPVBQESA-N 1 2 225.292 -0.586 20 0 BBADLO CN(C(=O)C(C)(C)F)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032861454 711965184 /nfs/dbraw/zinc/96/51/84/711965184.db2.gz MMHSUBHPWNCYOV-MRVPVSSYSA-N 1 2 245.298 -0.248 20 0 BBADLO CN(C(=O)C(C)(C)F)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001032861454 711965181 /nfs/dbraw/zinc/96/51/81/711965181.db2.gz MMHSUBHPWNCYOV-MRVPVSSYSA-N 1 2 245.298 -0.248 20 0 BBADLO CN(C(=O)C(C)(C)F)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032861458 711965291 /nfs/dbraw/zinc/96/52/91/711965291.db2.gz MMHSUBHPWNCYOV-QMMMGPOBSA-N 1 2 245.298 -0.248 20 0 BBADLO CN(C(=O)C(C)(C)F)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001032861458 711965287 /nfs/dbraw/zinc/96/52/87/711965287.db2.gz MMHSUBHPWNCYOV-QMMMGPOBSA-N 1 2 245.298 -0.248 20 0 BBADLO CC(C)C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032918016 711967678 /nfs/dbraw/zinc/96/76/78/711967678.db2.gz JUFCIZCGESSWQW-SECBINFHSA-N 1 2 227.308 -0.340 20 0 BBADLO CC(C)C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001032918016 711967677 /nfs/dbraw/zinc/96/76/77/711967677.db2.gz JUFCIZCGESSWQW-SECBINFHSA-N 1 2 227.308 -0.340 20 0 BBADLO CC(C)C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032918017 711967623 /nfs/dbraw/zinc/96/76/23/711967623.db2.gz JUFCIZCGESSWQW-VIFPVBQESA-N 1 2 227.308 -0.340 20 0 BBADLO CC(C)C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001032918017 711967621 /nfs/dbraw/zinc/96/76/21/711967621.db2.gz JUFCIZCGESSWQW-VIFPVBQESA-N 1 2 227.308 -0.340 20 0 BBADLO CN(C(=O)C1(C)CC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033098247 711975262 /nfs/dbraw/zinc/97/52/62/711975262.db2.gz HYINIDAVEBQXCM-SECBINFHSA-N 1 2 239.319 -0.196 20 0 BBADLO CN(C(=O)C1(C)CC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033098247 711975260 /nfs/dbraw/zinc/97/52/60/711975260.db2.gz HYINIDAVEBQXCM-SECBINFHSA-N 1 2 239.319 -0.196 20 0 BBADLO CN(C(=O)C1(C)CC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033098249 711974989 /nfs/dbraw/zinc/97/49/89/711974989.db2.gz HYINIDAVEBQXCM-VIFPVBQESA-N 1 2 239.319 -0.196 20 0 BBADLO CN(C(=O)C1(C)CC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033098249 711974986 /nfs/dbraw/zinc/97/49/86/711974986.db2.gz HYINIDAVEBQXCM-VIFPVBQESA-N 1 2 239.319 -0.196 20 0 BBADLO C[C@H]1C[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033327867 711983473 /nfs/dbraw/zinc/98/34/73/711983473.db2.gz MXUOMKHTNUMIKT-AEJSXWLSSA-N 1 2 239.319 -0.340 20 0 BBADLO C[C@H]1C[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033327867 711983471 /nfs/dbraw/zinc/98/34/71/711983471.db2.gz MXUOMKHTNUMIKT-AEJSXWLSSA-N 1 2 239.319 -0.340 20 0 BBADLO C[C@H]1C[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033327868 711983549 /nfs/dbraw/zinc/98/35/49/711983549.db2.gz MXUOMKHTNUMIKT-GUBZILKMSA-N 1 2 239.319 -0.340 20 0 BBADLO C[C@H]1C[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033327868 711983548 /nfs/dbraw/zinc/98/35/48/711983548.db2.gz MXUOMKHTNUMIKT-GUBZILKMSA-N 1 2 239.319 -0.340 20 0 BBADLO C[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033333569 711984449 /nfs/dbraw/zinc/98/44/49/711984449.db2.gz MXUOMKHTNUMIKT-KXUCPTDWSA-N 1 2 239.319 -0.340 20 0 BBADLO C[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033333569 711984447 /nfs/dbraw/zinc/98/44/47/711984447.db2.gz MXUOMKHTNUMIKT-KXUCPTDWSA-N 1 2 239.319 -0.340 20 0 BBADLO C[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033333570 711984119 /nfs/dbraw/zinc/98/41/19/711984119.db2.gz MXUOMKHTNUMIKT-OPRDCNLKSA-N 1 2 239.319 -0.340 20 0 BBADLO C[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033333570 711984116 /nfs/dbraw/zinc/98/41/16/711984116.db2.gz MXUOMKHTNUMIKT-OPRDCNLKSA-N 1 2 239.319 -0.340 20 0 BBADLO CN(C(=O)c1nc[nH]n1)[C@@H]1CC[N@@H+](CCF)C1 ZINC001033513193 711997957 /nfs/dbraw/zinc/99/79/57/711997957.db2.gz MFLXRWRLZWISDN-MRVPVSSYSA-N 1 2 241.270 -0.080 20 0 BBADLO CN(C(=O)c1nc[nH]n1)[C@@H]1CC[N@H+](CCF)C1 ZINC001033513193 711997956 /nfs/dbraw/zinc/99/79/56/711997956.db2.gz MFLXRWRLZWISDN-MRVPVSSYSA-N 1 2 241.270 -0.080 20 0 BBADLO CN(C(=O)c1nc[nH]n1)[C@H]1CC[N@@H+](CCF)C1 ZINC001033513196 711997662 /nfs/dbraw/zinc/99/76/62/711997662.db2.gz MFLXRWRLZWISDN-QMMMGPOBSA-N 1 2 241.270 -0.080 20 0 BBADLO CN(C(=O)c1nc[nH]n1)[C@H]1CC[N@H+](CCF)C1 ZINC001033513196 711997661 /nfs/dbraw/zinc/99/76/61/711997661.db2.gz MFLXRWRLZWISDN-QMMMGPOBSA-N 1 2 241.270 -0.080 20 0 BBADLO CCN(C(=O)C1CC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033717808 712016503 /nfs/dbraw/zinc/01/65/03/712016503.db2.gz BWQOBLCRFARNKW-JTQLQIEISA-N 1 2 239.319 -0.196 20 0 BBADLO CCN(C(=O)C1CC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033717808 712016502 /nfs/dbraw/zinc/01/65/02/712016502.db2.gz BWQOBLCRFARNKW-JTQLQIEISA-N 1 2 239.319 -0.196 20 0 BBADLO CCN(C(=O)C1CC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033717809 712016241 /nfs/dbraw/zinc/01/62/41/712016241.db2.gz BWQOBLCRFARNKW-SNVBAGLBSA-N 1 2 239.319 -0.196 20 0 BBADLO CCN(C(=O)C1CC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033717809 712016238 /nfs/dbraw/zinc/01/62/38/712016238.db2.gz BWQOBLCRFARNKW-SNVBAGLBSA-N 1 2 239.319 -0.196 20 0 BBADLO NC(=O)C(=O)N[C@@H]1CCCC[N@@H+](CCF)C1 ZINC001034371561 712061449 /nfs/dbraw/zinc/06/14/49/712061449.db2.gz CCDUJFUQLCUQHV-MRVPVSSYSA-N 1 2 231.271 -0.588 20 0 BBADLO NC(=O)C(=O)N[C@@H]1CCCC[N@H+](CCF)C1 ZINC001034371561 712061448 /nfs/dbraw/zinc/06/14/48/712061448.db2.gz CCDUJFUQLCUQHV-MRVPVSSYSA-N 1 2 231.271 -0.588 20 0 BBADLO NC(=O)C(=O)N[C@H]1CCCC[N@@H+](CCF)C1 ZINC001034371562 712061323 /nfs/dbraw/zinc/06/13/23/712061323.db2.gz CCDUJFUQLCUQHV-QMMMGPOBSA-N 1 2 231.271 -0.588 20 0 BBADLO NC(=O)C(=O)N[C@H]1CCCC[N@H+](CCF)C1 ZINC001034371562 712061321 /nfs/dbraw/zinc/06/13/21/712061321.db2.gz CCDUJFUQLCUQHV-QMMMGPOBSA-N 1 2 231.271 -0.588 20 0 BBADLO CC(=O)N1CCC[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001034833489 712095381 /nfs/dbraw/zinc/09/53/81/712095381.db2.gz PKRZEYWDLJZNMZ-SECBINFHSA-N 1 2 238.295 -0.689 20 0 BBADLO COCC[N@H+]1CCO[C@H](CNC(=O)C2CC2)C1 ZINC001035267255 712123356 /nfs/dbraw/zinc/12/33/56/712123356.db2.gz URUKXLBDITXHLJ-LLVKDONJSA-N 1 2 242.319 -0.140 20 0 BBADLO COCC[N@@H+]1CCO[C@H](CNC(=O)C2CC2)C1 ZINC001035267255 712123353 /nfs/dbraw/zinc/12/33/53/712123353.db2.gz URUKXLBDITXHLJ-LLVKDONJSA-N 1 2 242.319 -0.140 20 0 BBADLO COCC[N@H+]1CCO[C@@H](CNC(=O)C2CC2)C1 ZINC001035267256 712124328 /nfs/dbraw/zinc/12/43/28/712124328.db2.gz URUKXLBDITXHLJ-NSHDSACASA-N 1 2 242.319 -0.140 20 0 BBADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)C2CC2)C1 ZINC001035267256 712124327 /nfs/dbraw/zinc/12/43/27/712124327.db2.gz URUKXLBDITXHLJ-NSHDSACASA-N 1 2 242.319 -0.140 20 0 BBADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)C1CC1 ZINC001035267515 712123872 /nfs/dbraw/zinc/12/38/72/712123872.db2.gz WBAWUEWLWZAJIK-JTQLQIEISA-N 1 2 228.292 -0.794 20 0 BBADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)C1CC1 ZINC001035267515 712123871 /nfs/dbraw/zinc/12/38/71/712123871.db2.gz WBAWUEWLWZAJIK-JTQLQIEISA-N 1 2 228.292 -0.794 20 0 BBADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)C1CC1 ZINC001035267516 712123868 /nfs/dbraw/zinc/12/38/68/712123868.db2.gz WBAWUEWLWZAJIK-SNVBAGLBSA-N 1 2 228.292 -0.794 20 0 BBADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)C1CC1 ZINC001035267516 712123867 /nfs/dbraw/zinc/12/38/67/712123867.db2.gz WBAWUEWLWZAJIK-SNVBAGLBSA-N 1 2 228.292 -0.794 20 0 BBADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)C1CCC1 ZINC001035272418 712124394 /nfs/dbraw/zinc/12/43/94/712124394.db2.gz XNXQDMXHQSRMBK-LLVKDONJSA-N 1 2 242.319 -0.404 20 0 BBADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)C1CCC1 ZINC001035272418 712124392 /nfs/dbraw/zinc/12/43/92/712124392.db2.gz XNXQDMXHQSRMBK-LLVKDONJSA-N 1 2 242.319 -0.404 20 0 BBADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)C1CCC1 ZINC001035272419 712124355 /nfs/dbraw/zinc/12/43/55/712124355.db2.gz XNXQDMXHQSRMBK-NSHDSACASA-N 1 2 242.319 -0.404 20 0 BBADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)C1CCC1 ZINC001035272419 712124354 /nfs/dbraw/zinc/12/43/54/712124354.db2.gz XNXQDMXHQSRMBK-NSHDSACASA-N 1 2 242.319 -0.404 20 0 BBADLO C[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035470449 712134414 /nfs/dbraw/zinc/13/44/14/712134414.db2.gz MFFQJINPDGTFQI-GMTAPVOTSA-N 1 2 242.319 -0.548 20 0 BBADLO C[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035470449 712134412 /nfs/dbraw/zinc/13/44/12/712134412.db2.gz MFFQJINPDGTFQI-GMTAPVOTSA-N 1 2 242.319 -0.548 20 0 BBADLO C[C@@H]1C[C@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035470450 712134230 /nfs/dbraw/zinc/13/42/30/712134230.db2.gz MFFQJINPDGTFQI-OUAUKWLOSA-N 1 2 242.319 -0.548 20 0 BBADLO C[C@@H]1C[C@H]1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035470450 712134228 /nfs/dbraw/zinc/13/42/28/712134228.db2.gz MFFQJINPDGTFQI-OUAUKWLOSA-N 1 2 242.319 -0.548 20 0 BBADLO C[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035479772 712134035 /nfs/dbraw/zinc/13/40/35/712134035.db2.gz MFFQJINPDGTFQI-AXFHLTTASA-N 1 2 242.319 -0.548 20 0 BBADLO C[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035479772 712134030 /nfs/dbraw/zinc/13/40/30/712134030.db2.gz MFFQJINPDGTFQI-AXFHLTTASA-N 1 2 242.319 -0.548 20 0 BBADLO C[C@H]1C[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035479773 712134306 /nfs/dbraw/zinc/13/43/06/712134306.db2.gz MFFQJINPDGTFQI-DCAQKATOSA-N 1 2 242.319 -0.548 20 0 BBADLO C[C@H]1C[C@@H]1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035479773 712134305 /nfs/dbraw/zinc/13/43/05/712134305.db2.gz MFFQJINPDGTFQI-DCAQKATOSA-N 1 2 242.319 -0.548 20 0 BBADLO CC(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001035627062 712137676 /nfs/dbraw/zinc/13/76/76/712137676.db2.gz VSODJYVTAJHQOK-UHFFFAOYSA-N 1 2 225.292 -0.584 20 0 BBADLO CCC(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001035630269 712138047 /nfs/dbraw/zinc/13/80/47/712138047.db2.gz QCPZJNVHAZRNNU-UHFFFAOYSA-N 1 2 239.319 -0.194 20 0 BBADLO CC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001037979463 712894829 /nfs/dbraw/zinc/89/48/29/712894829.db2.gz CQLURFUNUSQUJV-NXEZZACHSA-N 1 2 225.292 -0.573 20 0 BBADLO CC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001037979463 712894827 /nfs/dbraw/zinc/89/48/27/712894827.db2.gz CQLURFUNUSQUJV-NXEZZACHSA-N 1 2 225.292 -0.573 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001037979465 712894488 /nfs/dbraw/zinc/89/44/88/712894488.db2.gz CQLURFUNUSQUJV-UWVGGRQHSA-N 1 2 225.292 -0.573 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001037979465 712894486 /nfs/dbraw/zinc/89/44/86/712894486.db2.gz CQLURFUNUSQUJV-UWVGGRQHSA-N 1 2 225.292 -0.573 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001037979467 712894603 /nfs/dbraw/zinc/89/46/03/712894603.db2.gz CQLURFUNUSQUJV-VHSXEESVSA-N 1 2 225.292 -0.573 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001037979467 712894600 /nfs/dbraw/zinc/89/46/00/712894600.db2.gz CQLURFUNUSQUJV-VHSXEESVSA-N 1 2 225.292 -0.573 20 0 BBADLO CC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001037979468 712894713 /nfs/dbraw/zinc/89/47/13/712894713.db2.gz CQLURFUNUSQUJV-ZJUUUORDSA-N 1 2 225.292 -0.573 20 0 BBADLO CC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001037979468 712894711 /nfs/dbraw/zinc/89/47/11/712894711.db2.gz CQLURFUNUSQUJV-ZJUUUORDSA-N 1 2 225.292 -0.573 20 0 BBADLO CC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(=O)N(C)C ZINC001037979518 712894816 /nfs/dbraw/zinc/89/48/16/712894816.db2.gz DLFNVMVAYIVZMA-PSASIEDQSA-N 1 2 227.308 -0.327 20 0 BBADLO CC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(=O)N(C)C ZINC001037979518 712894814 /nfs/dbraw/zinc/89/48/14/712894814.db2.gz DLFNVMVAYIVZMA-PSASIEDQSA-N 1 2 227.308 -0.327 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)N(C)C ZINC001037979520 712894781 /nfs/dbraw/zinc/89/47/81/712894781.db2.gz DLFNVMVAYIVZMA-SCZZXKLOSA-N 1 2 227.308 -0.327 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)N(C)C ZINC001037979520 712894780 /nfs/dbraw/zinc/89/47/80/712894780.db2.gz DLFNVMVAYIVZMA-SCZZXKLOSA-N 1 2 227.308 -0.327 20 0 BBADLO CC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)N(C)C ZINC001037979521 712894754 /nfs/dbraw/zinc/89/47/54/712894754.db2.gz DLFNVMVAYIVZMA-WCBMZHEXSA-N 1 2 227.308 -0.327 20 0 BBADLO CC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(=O)N(C)C ZINC001037979521 712894753 /nfs/dbraw/zinc/89/47/53/712894753.db2.gz DLFNVMVAYIVZMA-WCBMZHEXSA-N 1 2 227.308 -0.327 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)N(C)C ZINC001037979523 712894931 /nfs/dbraw/zinc/89/49/31/712894931.db2.gz DLFNVMVAYIVZMA-WPRPVWTQSA-N 1 2 227.308 -0.327 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)N(C)C ZINC001037979523 712894928 /nfs/dbraw/zinc/89/49/28/712894928.db2.gz DLFNVMVAYIVZMA-WPRPVWTQSA-N 1 2 227.308 -0.327 20 0 BBADLO CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(C)=O)C1=O ZINC001037981240 712896163 /nfs/dbraw/zinc/89/61/63/712896163.db2.gz QKMBYSRYUDLSMR-GHMZBOCLSA-N 1 2 239.319 -0.182 20 0 BBADLO CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(C)=O)C1=O ZINC001037981240 712896161 /nfs/dbraw/zinc/89/61/61/712896161.db2.gz QKMBYSRYUDLSMR-GHMZBOCLSA-N 1 2 239.319 -0.182 20 0 BBADLO CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(C)=O)C1=O ZINC001037981241 712895990 /nfs/dbraw/zinc/89/59/90/712895990.db2.gz QKMBYSRYUDLSMR-MNOVXSKESA-N 1 2 239.319 -0.182 20 0 BBADLO CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(C)=O)C1=O ZINC001037981241 712895988 /nfs/dbraw/zinc/89/59/88/712895988.db2.gz QKMBYSRYUDLSMR-MNOVXSKESA-N 1 2 239.319 -0.182 20 0 BBADLO CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(C)=O)C1=O ZINC001037981242 712895870 /nfs/dbraw/zinc/89/58/70/712895870.db2.gz QKMBYSRYUDLSMR-QWRGUYRKSA-N 1 2 239.319 -0.182 20 0 BBADLO CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(C)=O)C1=O ZINC001037981242 712895868 /nfs/dbraw/zinc/89/58/68/712895868.db2.gz QKMBYSRYUDLSMR-QWRGUYRKSA-N 1 2 239.319 -0.182 20 0 BBADLO CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(C)=O)C1=O ZINC001037981244 712896017 /nfs/dbraw/zinc/89/60/17/712896017.db2.gz QKMBYSRYUDLSMR-WDEREUQCSA-N 1 2 239.319 -0.182 20 0 BBADLO CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(C)=O)C1=O ZINC001037981244 712896016 /nfs/dbraw/zinc/89/60/16/712896016.db2.gz QKMBYSRYUDLSMR-WDEREUQCSA-N 1 2 239.319 -0.182 20 0 BBADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(C)=O ZINC001037981540 712896275 /nfs/dbraw/zinc/89/62/75/712896275.db2.gz UMNJXTFRWMKFRQ-APPZFPTMSA-N 1 2 213.281 -0.669 20 0 BBADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(C)=O ZINC001037981540 712896274 /nfs/dbraw/zinc/89/62/74/712896274.db2.gz UMNJXTFRWMKFRQ-APPZFPTMSA-N 1 2 213.281 -0.669 20 0 BBADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(C)=O ZINC001037981542 712896030 /nfs/dbraw/zinc/89/60/30/712896030.db2.gz UMNJXTFRWMKFRQ-CBAPKCEASA-N 1 2 213.281 -0.669 20 0 BBADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(C)=O ZINC001037981542 712896029 /nfs/dbraw/zinc/89/60/29/712896029.db2.gz UMNJXTFRWMKFRQ-CBAPKCEASA-N 1 2 213.281 -0.669 20 0 BBADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(C)=O ZINC001037981544 712896013 /nfs/dbraw/zinc/89/60/13/712896013.db2.gz UMNJXTFRWMKFRQ-IONNQARKSA-N 1 2 213.281 -0.669 20 0 BBADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(C)=O ZINC001037981544 712896011 /nfs/dbraw/zinc/89/60/11/712896011.db2.gz UMNJXTFRWMKFRQ-IONNQARKSA-N 1 2 213.281 -0.669 20 0 BBADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(C)=O ZINC001037981545 712896176 /nfs/dbraw/zinc/89/61/76/712896176.db2.gz UMNJXTFRWMKFRQ-VXNVDRBHSA-N 1 2 213.281 -0.669 20 0 BBADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(C)=O ZINC001037981545 712896174 /nfs/dbraw/zinc/89/61/74/712896174.db2.gz UMNJXTFRWMKFRQ-VXNVDRBHSA-N 1 2 213.281 -0.669 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(C)=O ZINC001037982312 712896438 /nfs/dbraw/zinc/89/64/38/712896438.db2.gz XUDNVHHWFIONOX-BDAKNGLRSA-N 1 2 213.281 -0.539 20 0 BBADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(C)=O ZINC001037982312 712896437 /nfs/dbraw/zinc/89/64/37/712896437.db2.gz XUDNVHHWFIONOX-BDAKNGLRSA-N 1 2 213.281 -0.539 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(C)=O ZINC001037982314 712896140 /nfs/dbraw/zinc/89/61/40/712896140.db2.gz XUDNVHHWFIONOX-DTWKUNHWSA-N 1 2 213.281 -0.539 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(C)=O ZINC001037982314 712896138 /nfs/dbraw/zinc/89/61/38/712896138.db2.gz XUDNVHHWFIONOX-DTWKUNHWSA-N 1 2 213.281 -0.539 20 0 BBADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(C)=O ZINC001037982316 712896370 /nfs/dbraw/zinc/89/63/70/712896370.db2.gz XUDNVHHWFIONOX-IUCAKERBSA-N 1 2 213.281 -0.539 20 0 BBADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(C)=O ZINC001037982316 712896368 /nfs/dbraw/zinc/89/63/68/712896368.db2.gz XUDNVHHWFIONOX-IUCAKERBSA-N 1 2 213.281 -0.539 20 0 BBADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(C)=O ZINC001037982318 712895761 /nfs/dbraw/zinc/89/57/61/712895761.db2.gz XUDNVHHWFIONOX-RKDXNWHRSA-N 1 2 213.281 -0.539 20 0 BBADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(C)=O ZINC001037982318 712895759 /nfs/dbraw/zinc/89/57/59/712895759.db2.gz XUDNVHHWFIONOX-RKDXNWHRSA-N 1 2 213.281 -0.539 20 0 BBADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)C1CC1 ZINC001037982655 712895825 /nfs/dbraw/zinc/89/58/25/712895825.db2.gz DEBJVECMUNWZDA-PSASIEDQSA-N 1 2 239.319 -0.279 20 0 BBADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C1CC1 ZINC001037982655 712895824 /nfs/dbraw/zinc/89/58/24/712895824.db2.gz DEBJVECMUNWZDA-PSASIEDQSA-N 1 2 239.319 -0.279 20 0 BBADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C1CC1 ZINC001037982657 712895727 /nfs/dbraw/zinc/89/57/27/712895727.db2.gz DEBJVECMUNWZDA-SCZZXKLOSA-N 1 2 239.319 -0.279 20 0 BBADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)C1CC1 ZINC001037982657 712895725 /nfs/dbraw/zinc/89/57/25/712895725.db2.gz DEBJVECMUNWZDA-SCZZXKLOSA-N 1 2 239.319 -0.279 20 0 BBADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C1CC1 ZINC001037982659 712896281 /nfs/dbraw/zinc/89/62/81/712896281.db2.gz DEBJVECMUNWZDA-WCBMZHEXSA-N 1 2 239.319 -0.279 20 0 BBADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C1CC1 ZINC001037982659 712896280 /nfs/dbraw/zinc/89/62/80/712896280.db2.gz DEBJVECMUNWZDA-WCBMZHEXSA-N 1 2 239.319 -0.279 20 0 BBADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C1CC1 ZINC001037982661 712896081 /nfs/dbraw/zinc/89/60/81/712896081.db2.gz DEBJVECMUNWZDA-WPRPVWTQSA-N 1 2 239.319 -0.279 20 0 BBADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)C1CC1 ZINC001037982661 712896079 /nfs/dbraw/zinc/89/60/79/712896079.db2.gz DEBJVECMUNWZDA-WPRPVWTQSA-N 1 2 239.319 -0.279 20 0 BBADLO CC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001037984021 712895614 /nfs/dbraw/zinc/89/56/14/712895614.db2.gz AYBSOGCYXVOFSP-LLVKDONJSA-N 1 2 239.319 -0.182 20 0 BBADLO CC(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001037984021 712895612 /nfs/dbraw/zinc/89/56/12/712895612.db2.gz AYBSOGCYXVOFSP-LLVKDONJSA-N 1 2 239.319 -0.182 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001037984022 712895415 /nfs/dbraw/zinc/89/54/15/712895415.db2.gz AYBSOGCYXVOFSP-NSHDSACASA-N 1 2 239.319 -0.182 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001037984022 712895413 /nfs/dbraw/zinc/89/54/13/712895413.db2.gz AYBSOGCYXVOFSP-NSHDSACASA-N 1 2 239.319 -0.182 20 0 BBADLO CC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001037984144 712895377 /nfs/dbraw/zinc/89/53/77/712895377.db2.gz COZSHEYPICFCQR-SECBINFHSA-N 1 2 213.281 -0.715 20 0 BBADLO CC(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001037984144 712895375 /nfs/dbraw/zinc/89/53/75/712895375.db2.gz COZSHEYPICFCQR-SECBINFHSA-N 1 2 213.281 -0.715 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001037984147 712895373 /nfs/dbraw/zinc/89/53/73/712895373.db2.gz COZSHEYPICFCQR-VIFPVBQESA-N 1 2 213.281 -0.715 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001037984147 712895372 /nfs/dbraw/zinc/89/53/72/712895372.db2.gz COZSHEYPICFCQR-VIFPVBQESA-N 1 2 213.281 -0.715 20 0 BBADLO CC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001037984589 712895242 /nfs/dbraw/zinc/89/52/42/712895242.db2.gz FNDOPYFPIRHREG-BDAKNGLRSA-N 1 2 211.265 -0.915 20 0 BBADLO CC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001037984589 712895240 /nfs/dbraw/zinc/89/52/40/712895240.db2.gz FNDOPYFPIRHREG-BDAKNGLRSA-N 1 2 211.265 -0.915 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001037984590 712895407 /nfs/dbraw/zinc/89/54/07/712895407.db2.gz FNDOPYFPIRHREG-DTWKUNHWSA-N 1 2 211.265 -0.915 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001037984590 712895406 /nfs/dbraw/zinc/89/54/06/712895406.db2.gz FNDOPYFPIRHREG-DTWKUNHWSA-N 1 2 211.265 -0.915 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001037984592 712895360 /nfs/dbraw/zinc/89/53/60/712895360.db2.gz FNDOPYFPIRHREG-IUCAKERBSA-N 1 2 211.265 -0.915 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001037984592 712895359 /nfs/dbraw/zinc/89/53/59/712895359.db2.gz FNDOPYFPIRHREG-IUCAKERBSA-N 1 2 211.265 -0.915 20 0 BBADLO CC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001037984593 712895346 /nfs/dbraw/zinc/89/53/46/712895346.db2.gz FNDOPYFPIRHREG-RKDXNWHRSA-N 1 2 211.265 -0.915 20 0 BBADLO CC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001037984593 712895345 /nfs/dbraw/zinc/89/53/45/712895345.db2.gz FNDOPYFPIRHREG-RKDXNWHRSA-N 1 2 211.265 -0.915 20 0 BBADLO CC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCC(=O)NC1=O ZINC001037987509 712896860 /nfs/dbraw/zinc/89/68/60/712896860.db2.gz PLJACHISOGVGPM-BDAKNGLRSA-N 1 2 239.275 -0.998 20 0 BBADLO CC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCC(=O)NC1=O ZINC001037987509 712896859 /nfs/dbraw/zinc/89/68/59/712896859.db2.gz PLJACHISOGVGPM-BDAKNGLRSA-N 1 2 239.275 -0.998 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCC(=O)NC1=O ZINC001037987512 712896760 /nfs/dbraw/zinc/89/67/60/712896760.db2.gz PLJACHISOGVGPM-DTWKUNHWSA-N 1 2 239.275 -0.998 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCC(=O)NC1=O ZINC001037987512 712896759 /nfs/dbraw/zinc/89/67/59/712896759.db2.gz PLJACHISOGVGPM-DTWKUNHWSA-N 1 2 239.275 -0.998 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCC(=O)NC1=O ZINC001037987514 712896540 /nfs/dbraw/zinc/89/65/40/712896540.db2.gz PLJACHISOGVGPM-IUCAKERBSA-N 1 2 239.275 -0.998 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCC(=O)NC1=O ZINC001037987514 712896539 /nfs/dbraw/zinc/89/65/39/712896539.db2.gz PLJACHISOGVGPM-IUCAKERBSA-N 1 2 239.275 -0.998 20 0 BBADLO CC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCC(=O)NC1=O ZINC001037987516 712896825 /nfs/dbraw/zinc/89/68/25/712896825.db2.gz PLJACHISOGVGPM-RKDXNWHRSA-N 1 2 239.275 -0.998 20 0 BBADLO CC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCC(=O)NC1=O ZINC001037987516 712896824 /nfs/dbraw/zinc/89/68/24/712896824.db2.gz PLJACHISOGVGPM-RKDXNWHRSA-N 1 2 239.275 -0.998 20 0 BBADLO CC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC1CC1 ZINC001037991827 712897230 /nfs/dbraw/zinc/89/72/30/712897230.db2.gz MMMZADLLCMQABR-GZMMTYOYSA-N 1 2 239.319 -0.136 20 0 BBADLO CC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC1CC1 ZINC001037991827 712897229 /nfs/dbraw/zinc/89/72/29/712897229.db2.gz MMMZADLLCMQABR-GZMMTYOYSA-N 1 2 239.319 -0.136 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC1CC1 ZINC001037991828 712897149 /nfs/dbraw/zinc/89/71/49/712897149.db2.gz MMMZADLLCMQABR-KCJUWKMLSA-N 1 2 239.319 -0.136 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC1CC1 ZINC001037991828 712897148 /nfs/dbraw/zinc/89/71/48/712897148.db2.gz MMMZADLLCMQABR-KCJUWKMLSA-N 1 2 239.319 -0.136 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC1CC1 ZINC001037991830 712897093 /nfs/dbraw/zinc/89/70/93/712897093.db2.gz MMMZADLLCMQABR-KWQFWETISA-N 1 2 239.319 -0.136 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC1CC1 ZINC001037991830 712897092 /nfs/dbraw/zinc/89/70/92/712897092.db2.gz MMMZADLLCMQABR-KWQFWETISA-N 1 2 239.319 -0.136 20 0 BBADLO CC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC1CC1 ZINC001037991832 712897243 /nfs/dbraw/zinc/89/72/43/712897243.db2.gz MMMZADLLCMQABR-LDYMZIIASA-N 1 2 239.319 -0.136 20 0 BBADLO CC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(=O)NC1CC1 ZINC001037991832 712897242 /nfs/dbraw/zinc/89/72/42/712897242.db2.gz MMMZADLLCMQABR-LDYMZIIASA-N 1 2 239.319 -0.136 20 0 BBADLO O=C(NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O)C1CC1 ZINC001037991851 712897238 /nfs/dbraw/zinc/89/72/38/712897238.db2.gz BVTGJPLPKSTEDI-NXEZZACHSA-N 1 2 237.303 -0.525 20 0 BBADLO O=C(NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O)C1CC1 ZINC001037991851 712897237 /nfs/dbraw/zinc/89/72/37/712897237.db2.gz BVTGJPLPKSTEDI-NXEZZACHSA-N 1 2 237.303 -0.525 20 0 BBADLO O=C(NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O)C1CC1 ZINC001037991852 712897144 /nfs/dbraw/zinc/89/71/44/712897144.db2.gz BVTGJPLPKSTEDI-UWVGGRQHSA-N 1 2 237.303 -0.525 20 0 BBADLO O=C(NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O)C1CC1 ZINC001037991852 712897143 /nfs/dbraw/zinc/89/71/43/712897143.db2.gz BVTGJPLPKSTEDI-UWVGGRQHSA-N 1 2 237.303 -0.525 20 0 BBADLO O=C(NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O)C1CC1 ZINC001037991853 712897044 /nfs/dbraw/zinc/89/70/44/712897044.db2.gz BVTGJPLPKSTEDI-VHSXEESVSA-N 1 2 237.303 -0.525 20 0 BBADLO O=C(NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O)C1CC1 ZINC001037991853 712897043 /nfs/dbraw/zinc/89/70/43/712897043.db2.gz BVTGJPLPKSTEDI-VHSXEESVSA-N 1 2 237.303 -0.525 20 0 BBADLO O=C(NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O)C1CC1 ZINC001037991854 712897266 /nfs/dbraw/zinc/89/72/66/712897266.db2.gz BVTGJPLPKSTEDI-ZJUUUORDSA-N 1 2 237.303 -0.525 20 0 BBADLO O=C(NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O)C1CC1 ZINC001037991854 712897265 /nfs/dbraw/zinc/89/72/65/712897265.db2.gz BVTGJPLPKSTEDI-ZJUUUORDSA-N 1 2 237.303 -0.525 20 0 BBADLO CC(=O)NC[C@H]1CC[N@H+]1CC(=O)N1CCCC1 ZINC001037992053 712897252 /nfs/dbraw/zinc/89/72/52/712897252.db2.gz MXBZMCPLCSOYCF-LLVKDONJSA-N 1 2 239.319 -0.181 20 0 BBADLO CC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N1CCCC1 ZINC001037992053 712897251 /nfs/dbraw/zinc/89/72/51/712897251.db2.gz MXBZMCPLCSOYCF-LLVKDONJSA-N 1 2 239.319 -0.181 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N1CCCC1 ZINC001037992056 712897139 /nfs/dbraw/zinc/89/71/39/712897139.db2.gz MXBZMCPLCSOYCF-NSHDSACASA-N 1 2 239.319 -0.181 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N1CCCC1 ZINC001037992056 712897138 /nfs/dbraw/zinc/89/71/38/712897138.db2.gz MXBZMCPLCSOYCF-NSHDSACASA-N 1 2 239.319 -0.181 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001037995802 712897464 /nfs/dbraw/zinc/89/74/64/712897464.db2.gz HIOSVCMNTKOMHW-JTQLQIEISA-N 1 2 225.292 -0.571 20 0 BBADLO CC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001037995802 712897463 /nfs/dbraw/zinc/89/74/63/712897463.db2.gz HIOSVCMNTKOMHW-JTQLQIEISA-N 1 2 225.292 -0.571 20 0 BBADLO CC(=O)NC[C@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001037995804 712897450 /nfs/dbraw/zinc/89/74/50/712897450.db2.gz HIOSVCMNTKOMHW-SNVBAGLBSA-N 1 2 225.292 -0.571 20 0 BBADLO CC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001037995804 712897449 /nfs/dbraw/zinc/89/74/49/712897449.db2.gz HIOSVCMNTKOMHW-SNVBAGLBSA-N 1 2 225.292 -0.571 20 0 BBADLO O=C(NC[C@H]1CC[N@@H+]1CCO)c1cncs1 ZINC001038081538 711949636 /nfs/dbraw/zinc/94/96/36/711949636.db2.gz UQABPQQNPDZGAU-MRVPVSSYSA-N 1 2 241.316 -0.061 20 0 BBADLO O=C(NC[C@H]1CC[N@H+]1CCO)c1cncs1 ZINC001038081538 711949631 /nfs/dbraw/zinc/94/96/31/711949631.db2.gz UQABPQQNPDZGAU-MRVPVSSYSA-N 1 2 241.316 -0.061 20 0 BBADLO O=C(NC[C@@H]1CC[N@@H+]1CCO)c1cncs1 ZINC001038081541 711949758 /nfs/dbraw/zinc/94/97/58/711949758.db2.gz UQABPQQNPDZGAU-QMMMGPOBSA-N 1 2 241.316 -0.061 20 0 BBADLO O=C(NC[C@@H]1CC[N@H+]1CCO)c1cncs1 ZINC001038081541 711949756 /nfs/dbraw/zinc/94/97/56/711949756.db2.gz UQABPQQNPDZGAU-QMMMGPOBSA-N 1 2 241.316 -0.061 20 0 BBADLO O=C(NC[C@H]1CC[N@@H+]1CCO)c1ccns1 ZINC001038315950 711670820 /nfs/dbraw/zinc/67/08/20/711670820.db2.gz YSTHJTGJRDVJNB-MRVPVSSYSA-N 1 2 241.316 -0.061 20 0 BBADLO O=C(NC[C@H]1CC[N@H+]1CCO)c1ccns1 ZINC001038315950 711670819 /nfs/dbraw/zinc/67/08/19/711670819.db2.gz YSTHJTGJRDVJNB-MRVPVSSYSA-N 1 2 241.316 -0.061 20 0 BBADLO O=C(NC[C@@H]1CC[N@@H+]1CCO)c1ccns1 ZINC001038315953 711670803 /nfs/dbraw/zinc/67/08/03/711670803.db2.gz YSTHJTGJRDVJNB-QMMMGPOBSA-N 1 2 241.316 -0.061 20 0 BBADLO O=C(NC[C@@H]1CC[N@H+]1CCO)c1ccns1 ZINC001038315953 711670801 /nfs/dbraw/zinc/67/08/01/711670801.db2.gz YSTHJTGJRDVJNB-QMMMGPOBSA-N 1 2 241.316 -0.061 20 0 BBADLO COCC[N@H+]1CC[C@@H]1CNC(=O)c1cnn[nH]1 ZINC001038444670 711777926 /nfs/dbraw/zinc/77/79/26/711777926.db2.gz BFEDROKGVDFXNE-MRVPVSSYSA-N 1 2 239.279 -0.745 20 0 BBADLO COCC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn[nH]1 ZINC001038444670 711777925 /nfs/dbraw/zinc/77/79/25/711777925.db2.gz BFEDROKGVDFXNE-MRVPVSSYSA-N 1 2 239.279 -0.745 20 0 BBADLO COCC[N@H+]1CC[C@@H]1CNC(=O)c1cn[nH]n1 ZINC001038444670 711777924 /nfs/dbraw/zinc/77/79/24/711777924.db2.gz BFEDROKGVDFXNE-MRVPVSSYSA-N 1 2 239.279 -0.745 20 0 BBADLO COCC[N@@H+]1CC[C@@H]1CNC(=O)c1cn[nH]n1 ZINC001038444670 711777923 /nfs/dbraw/zinc/77/79/23/711777923.db2.gz BFEDROKGVDFXNE-MRVPVSSYSA-N 1 2 239.279 -0.745 20 0 BBADLO COCC[N@H+]1CC[C@H]1CNC(=O)c1cnn[nH]1 ZINC001038444673 711777919 /nfs/dbraw/zinc/77/79/19/711777919.db2.gz BFEDROKGVDFXNE-QMMMGPOBSA-N 1 2 239.279 -0.745 20 0 BBADLO COCC[N@@H+]1CC[C@H]1CNC(=O)c1cnn[nH]1 ZINC001038444673 711777918 /nfs/dbraw/zinc/77/79/18/711777918.db2.gz BFEDROKGVDFXNE-QMMMGPOBSA-N 1 2 239.279 -0.745 20 0 BBADLO COCC[N@H+]1CC[C@H]1CNC(=O)c1cn[nH]n1 ZINC001038444673 711777917 /nfs/dbraw/zinc/77/79/17/711777917.db2.gz BFEDROKGVDFXNE-QMMMGPOBSA-N 1 2 239.279 -0.745 20 0 BBADLO COCC[N@@H+]1CC[C@H]1CNC(=O)c1cn[nH]n1 ZINC001038444673 711777915 /nfs/dbraw/zinc/77/79/15/711777915.db2.gz BFEDROKGVDFXNE-QMMMGPOBSA-N 1 2 239.279 -0.745 20 0 BBADLO O=C(NC[C@H]1CC[N@@H+]1CCCF)c1cnn[nH]1 ZINC001038459953 710687005 /nfs/dbraw/zinc/68/70/05/710687005.db2.gz ZDVDSGFKFDXVNH-MRVPVSSYSA-N 1 2 241.270 -0.032 20 0 BBADLO O=C(NC[C@H]1CC[N@H+]1CCCF)c1cnn[nH]1 ZINC001038459953 710687002 /nfs/dbraw/zinc/68/70/02/710687002.db2.gz ZDVDSGFKFDXVNH-MRVPVSSYSA-N 1 2 241.270 -0.032 20 0 BBADLO O=C(NC[C@H]1CC[N@@H+]1CCCF)c1cn[nH]n1 ZINC001038459953 710686999 /nfs/dbraw/zinc/68/69/99/710686999.db2.gz ZDVDSGFKFDXVNH-MRVPVSSYSA-N 1 2 241.270 -0.032 20 0 BBADLO O=C(NC[C@H]1CC[N@H+]1CCCF)c1cn[nH]n1 ZINC001038459953 710686997 /nfs/dbraw/zinc/68/69/97/710686997.db2.gz ZDVDSGFKFDXVNH-MRVPVSSYSA-N 1 2 241.270 -0.032 20 0 BBADLO O=C(NC[C@@H]1CC[N@@H+]1CCCF)c1cnn[nH]1 ZINC001038459956 710686755 /nfs/dbraw/zinc/68/67/55/710686755.db2.gz ZDVDSGFKFDXVNH-QMMMGPOBSA-N 1 2 241.270 -0.032 20 0 BBADLO O=C(NC[C@@H]1CC[N@H+]1CCCF)c1cnn[nH]1 ZINC001038459956 710686753 /nfs/dbraw/zinc/68/67/53/710686753.db2.gz ZDVDSGFKFDXVNH-QMMMGPOBSA-N 1 2 241.270 -0.032 20 0 BBADLO O=C(NC[C@@H]1CC[N@@H+]1CCCF)c1cn[nH]n1 ZINC001038459956 710686750 /nfs/dbraw/zinc/68/67/50/710686750.db2.gz ZDVDSGFKFDXVNH-QMMMGPOBSA-N 1 2 241.270 -0.032 20 0 BBADLO O=C(NC[C@@H]1CC[N@H+]1CCCF)c1cn[nH]n1 ZINC001038459956 710686744 /nfs/dbraw/zinc/68/67/44/710686744.db2.gz ZDVDSGFKFDXVNH-QMMMGPOBSA-N 1 2 241.270 -0.032 20 0 BBADLO COCC[N@H+]1CC[C@@H]1CNC(=O)c1ncn[nH]1 ZINC001038826898 710711479 /nfs/dbraw/zinc/71/14/79/710711479.db2.gz UHHKSTDLOPFCGW-MRVPVSSYSA-N 1 2 239.279 -0.745 20 0 BBADLO COCC[N@@H+]1CC[C@@H]1CNC(=O)c1ncn[nH]1 ZINC001038826898 710711475 /nfs/dbraw/zinc/71/14/75/710711475.db2.gz UHHKSTDLOPFCGW-MRVPVSSYSA-N 1 2 239.279 -0.745 20 0 BBADLO COCC[N@H+]1CC[C@@H]1CNC(=O)c1nnc[nH]1 ZINC001038826898 710711471 /nfs/dbraw/zinc/71/14/71/710711471.db2.gz UHHKSTDLOPFCGW-MRVPVSSYSA-N 1 2 239.279 -0.745 20 0 BBADLO COCC[N@@H+]1CC[C@@H]1CNC(=O)c1nnc[nH]1 ZINC001038826898 710711467 /nfs/dbraw/zinc/71/14/67/710711467.db2.gz UHHKSTDLOPFCGW-MRVPVSSYSA-N 1 2 239.279 -0.745 20 0 BBADLO COCC[N@H+]1CC[C@H]1CNC(=O)c1ncn[nH]1 ZINC001038826901 710711120 /nfs/dbraw/zinc/71/11/20/710711120.db2.gz UHHKSTDLOPFCGW-QMMMGPOBSA-N 1 2 239.279 -0.745 20 0 BBADLO COCC[N@@H+]1CC[C@H]1CNC(=O)c1ncn[nH]1 ZINC001038826901 710711118 /nfs/dbraw/zinc/71/11/18/710711118.db2.gz UHHKSTDLOPFCGW-QMMMGPOBSA-N 1 2 239.279 -0.745 20 0 BBADLO COCC[N@H+]1CC[C@H]1CNC(=O)c1nnc[nH]1 ZINC001038826901 710711116 /nfs/dbraw/zinc/71/11/16/710711116.db2.gz UHHKSTDLOPFCGW-QMMMGPOBSA-N 1 2 239.279 -0.745 20 0 BBADLO COCC[N@@H+]1CC[C@H]1CNC(=O)c1nnc[nH]1 ZINC001038826901 710711114 /nfs/dbraw/zinc/71/11/14/710711114.db2.gz UHHKSTDLOPFCGW-QMMMGPOBSA-N 1 2 239.279 -0.745 20 0 BBADLO O=C(NC[C@H]1CC[N@@H+]1CCCF)c1ncn[nH]1 ZINC001038827483 711747115 /nfs/dbraw/zinc/74/71/15/711747115.db2.gz YAXVKCALWVCWRR-MRVPVSSYSA-N 1 2 241.270 -0.032 20 0 BBADLO O=C(NC[C@H]1CC[N@H+]1CCCF)c1ncn[nH]1 ZINC001038827483 711747113 /nfs/dbraw/zinc/74/71/13/711747113.db2.gz YAXVKCALWVCWRR-MRVPVSSYSA-N 1 2 241.270 -0.032 20 0 BBADLO O=C(NC[C@@H]1CC[N@@H+]1CCCF)c1ncn[nH]1 ZINC001038827492 711747019 /nfs/dbraw/zinc/74/70/19/711747019.db2.gz YAXVKCALWVCWRR-QMMMGPOBSA-N 1 2 241.270 -0.032 20 0 BBADLO O=C(NC[C@@H]1CC[N@H+]1CCCF)c1ncn[nH]1 ZINC001038827492 711747017 /nfs/dbraw/zinc/74/70/17/711747017.db2.gz YAXVKCALWVCWRR-QMMMGPOBSA-N 1 2 241.270 -0.032 20 0 BBADLO O=C(NC[C@H]1CC[N@@H+]1CCO)c1nccs1 ZINC001038836418 710710054 /nfs/dbraw/zinc/71/00/54/710710054.db2.gz NSFMWWLWFKBAIO-MRVPVSSYSA-N 1 2 241.316 -0.061 20 0 BBADLO O=C(NC[C@H]1CC[N@H+]1CCO)c1nccs1 ZINC001038836418 710710052 /nfs/dbraw/zinc/71/00/52/710710052.db2.gz NSFMWWLWFKBAIO-MRVPVSSYSA-N 1 2 241.316 -0.061 20 0 BBADLO O=C(NC[C@@H]1CC[N@@H+]1CCO)c1nccs1 ZINC001038836421 710709009 /nfs/dbraw/zinc/70/90/09/710709009.db2.gz NSFMWWLWFKBAIO-QMMMGPOBSA-N 1 2 241.316 -0.061 20 0 BBADLO O=C(NC[C@@H]1CC[N@H+]1CCO)c1nccs1 ZINC001038836421 710709008 /nfs/dbraw/zinc/70/90/08/710709008.db2.gz NSFMWWLWFKBAIO-QMMMGPOBSA-N 1 2 241.316 -0.061 20 0 BBADLO CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@H](C)C(N)=O ZINC001039492922 710740148 /nfs/dbraw/zinc/74/01/48/710740148.db2.gz KHIVJSPLBCXLOE-IEBDPFPHSA-N 1 2 239.319 -0.055 20 0 BBADLO CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H](C)C(N)=O ZINC001039492922 710740143 /nfs/dbraw/zinc/74/01/43/710740143.db2.gz KHIVJSPLBCXLOE-IEBDPFPHSA-N 1 2 239.319 -0.055 20 0 BBADLO CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H](C)C(N)=O ZINC001039492923 710738940 /nfs/dbraw/zinc/73/89/40/710738940.db2.gz KHIVJSPLBCXLOE-INTQDDNPSA-N 1 2 239.319 -0.055 20 0 BBADLO CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H](C)C(N)=O ZINC001039492923 710738935 /nfs/dbraw/zinc/73/89/35/710738935.db2.gz KHIVJSPLBCXLOE-INTQDDNPSA-N 1 2 239.319 -0.055 20 0 BBADLO CCC(=O)N(C)C1C[NH+](CCn2cncn2)C1 ZINC001042389541 710777687 /nfs/dbraw/zinc/77/76/87/710777687.db2.gz SQAWNYYXMLLKEN-UHFFFAOYSA-N 1 2 237.307 -0.169 20 0 BBADLO CC(=O)N(C)C1C[NH+](CCN2CCCC2=O)C1 ZINC001042390384 711818047 /nfs/dbraw/zinc/81/80/47/711818047.db2.gz YXQYVAGYAQHNLE-UHFFFAOYSA-N 1 2 239.319 -0.229 20 0 BBADLO CC(=O)N(C)C1C[NH+](CCn2cncn2)C1 ZINC001042392666 710778830 /nfs/dbraw/zinc/77/88/30/710778830.db2.gz DTHUMLCHBMKHRD-UHFFFAOYSA-N 1 2 223.280 -0.559 20 0 BBADLO CC(=O)N(C)C1C[NH+](CCN2CCNC2=O)C1 ZINC001042392976 711818351 /nfs/dbraw/zinc/81/83/51/711818351.db2.gz JSOYMUAEQXYGHT-UHFFFAOYSA-N 1 2 240.307 -0.826 20 0 BBADLO CN(C(=O)C(F)F)C1C[NH+](CCCO)C1 ZINC001042394040 710779752 /nfs/dbraw/zinc/77/97/52/710779752.db2.gz NYSCEMCFERRTPB-UHFFFAOYSA-N 1 2 222.235 -0.224 20 0 BBADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)C(F)F)C1 ZINC001042394123 710779339 /nfs/dbraw/zinc/77/93/39/710779339.db2.gz RNGKTGDBESMWNJ-LURJTMIESA-N 1 2 222.235 -0.225 20 0 BBADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)C(F)F)C1 ZINC001042394124 710779735 /nfs/dbraw/zinc/77/97/35/710779735.db2.gz RNGKTGDBESMWNJ-ZCFIWIBFSA-N 1 2 222.235 -0.225 20 0 BBADLO CN(C(=O)C1CC1)C1C[NH+](CCn2cncn2)C1 ZINC001042397787 710779613 /nfs/dbraw/zinc/77/96/13/710779613.db2.gz QYLDSESGHNMVSL-UHFFFAOYSA-N 1 2 249.318 -0.169 20 0 BBADLO CN(C(=O)C1CCC1)C1C[NH+](CCO)C1 ZINC001042399892 711819611 /nfs/dbraw/zinc/81/96/11/711819611.db2.gz XSTUFRQAMOVDNW-UHFFFAOYSA-N 1 2 212.293 -0.079 20 0 BBADLO CN(C(=O)C1CCOCC1)C1C[NH+](CCO)C1 ZINC001042407340 710781136 /nfs/dbraw/zinc/78/11/36/710781136.db2.gz WMSSKFOCYDFSKV-UHFFFAOYSA-N 1 2 242.319 -0.452 20 0 BBADLO CN(C(=O)c1ccccn1)C1C[NH+](CCO)C1 ZINC001042410483 710780531 /nfs/dbraw/zinc/78/05/31/710780531.db2.gz ASEZNUDOATUJRE-UHFFFAOYSA-N 1 2 235.287 -0.170 20 0 BBADLO CN(C(=O)CC1CC1)C1C[NH+](CCO)C1 ZINC001042410607 710780765 /nfs/dbraw/zinc/78/07/65/710780765.db2.gz XIHWMLBAFQUNJG-UHFFFAOYSA-N 1 2 212.293 -0.079 20 0 BBADLO CN(C(=O)c1ccncc1)C1C[NH+](CCO)C1 ZINC001042412959 710781567 /nfs/dbraw/zinc/78/15/67/710781567.db2.gz NJYNQNQPAFDECK-UHFFFAOYSA-N 1 2 235.287 -0.170 20 0 BBADLO CN(C(=O)c1cccnc1)C1C[NH+](CCO)C1 ZINC001042416117 710781161 /nfs/dbraw/zinc/78/11/61/710781161.db2.gz CIORYTXQWLVCKE-UHFFFAOYSA-N 1 2 235.287 -0.170 20 0 BBADLO C[C@@H]1C[C@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001042438723 710783106 /nfs/dbraw/zinc/78/31/06/710783106.db2.gz VGGQKQDNWHKVFV-PSASIEDQSA-N 1 2 212.293 -0.223 20 0 BBADLO C[C@@H]1C[C@@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001042438724 710782480 /nfs/dbraw/zinc/78/24/80/710782480.db2.gz VGGQKQDNWHKVFV-SCZZXKLOSA-N 1 2 212.293 -0.223 20 0 BBADLO C[C@H]1C[C@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001042438758 710783367 /nfs/dbraw/zinc/78/33/67/710783367.db2.gz VGGQKQDNWHKVFV-WCBMZHEXSA-N 1 2 212.293 -0.223 20 0 BBADLO C[C@H]1C[C@@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001042438759 710782112 /nfs/dbraw/zinc/78/21/12/710782112.db2.gz VGGQKQDNWHKVFV-WPRPVWTQSA-N 1 2 212.293 -0.223 20 0 BBADLO CN(C(=O)C1=COCCO1)C1C[NH+](CCO)C1 ZINC001042442413 710784778 /nfs/dbraw/zinc/78/47/78/710784778.db2.gz XSAYBQGCRZWMSH-UHFFFAOYSA-N 1 2 242.275 -0.991 20 0 BBADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CCCO2)C1 ZINC001042448606 710784084 /nfs/dbraw/zinc/78/40/84/710784084.db2.gz GIYCHZSTACZTIB-GXSJLCMTSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCO2)C1 ZINC001042448607 710785081 /nfs/dbraw/zinc/78/50/81/710785081.db2.gz GIYCHZSTACZTIB-KOLCDFICSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CCCO2)C1 ZINC001042448608 710784835 /nfs/dbraw/zinc/78/48/35/710784835.db2.gz GIYCHZSTACZTIB-MWLCHTKSSA-N 1 2 242.319 -0.311 20 0 BBADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCO2)C1 ZINC001042448609 710784371 /nfs/dbraw/zinc/78/43/71/710784371.db2.gz GIYCHZSTACZTIB-ONGXEEELSA-N 1 2 242.319 -0.311 20 0 BBADLO COCC[NH+]1CC(N(C)C(=O)[C@H]2CCCO2)C1 ZINC001042448796 710785028 /nfs/dbraw/zinc/78/50/28/710785028.db2.gz KQNTYQGPQLYTJR-LLVKDONJSA-N 1 2 242.319 -0.046 20 0 BBADLO COCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCO2)C1 ZINC001042448797 710785179 /nfs/dbraw/zinc/78/51/79/710785179.db2.gz KQNTYQGPQLYTJR-NSHDSACASA-N 1 2 242.319 -0.046 20 0 BBADLO CN(C(=O)[C@H]1CCCO1)C1C[NH+](CCCO)C1 ZINC001042451178 710785203 /nfs/dbraw/zinc/78/52/03/710785203.db2.gz BHAUSAOORBAGHT-LLVKDONJSA-N 1 2 242.319 -0.310 20 0 BBADLO CN(C(=O)[C@@H]1CCCO1)C1C[NH+](CCCO)C1 ZINC001042451179 710784007 /nfs/dbraw/zinc/78/40/07/710784007.db2.gz BHAUSAOORBAGHT-NSHDSACASA-N 1 2 242.319 -0.310 20 0 BBADLO CN(C(=O)[C@@H]1CCCO1)C1C[NH+](CCO)C1 ZINC001042453531 710784020 /nfs/dbraw/zinc/78/40/20/710784020.db2.gz RAMILLFPJOBDEJ-JTQLQIEISA-N 1 2 228.292 -0.700 20 0 BBADLO CN(C(=O)[C@H]1CCCO1)C1C[NH+](CCO)C1 ZINC001042453535 710784442 /nfs/dbraw/zinc/78/44/42/710784442.db2.gz RAMILLFPJOBDEJ-SNVBAGLBSA-N 1 2 228.292 -0.700 20 0 BBADLO CN(C(=O)c1cnn(C)c1)C1C[NH+](CCO)C1 ZINC001042463999 711767532 /nfs/dbraw/zinc/76/75/32/711767532.db2.gz ROUHHRIZOHTKKI-UHFFFAOYSA-N 1 2 238.291 -0.831 20 0 BBADLO CN(C(=O)c1ccc[nH]1)C1C[NH+](CCO)C1 ZINC001042471893 710786610 /nfs/dbraw/zinc/78/66/10/710786610.db2.gz HZBCEFIAWQLLLK-UHFFFAOYSA-N 1 2 223.276 -0.237 20 0 BBADLO CN(C(=O)Cn1cccn1)C1C[NH+](CCO)C1 ZINC001042475686 710786457 /nfs/dbraw/zinc/78/64/57/710786457.db2.gz IRMIATQYQWDNTH-UHFFFAOYSA-N 1 2 238.291 -0.982 20 0 BBADLO CN(C(=O)c1cccn1C)C1C[NH+](CCO)C1 ZINC001042486115 710786215 /nfs/dbraw/zinc/78/62/15/710786215.db2.gz MWUFLETVVILUDI-UHFFFAOYSA-N 1 2 237.303 -0.226 20 0 BBADLO CC(C)C(=O)N(C)C1C[NH+](CCO)C1 ZINC001042486300 710786061 /nfs/dbraw/zinc/78/60/61/710786061.db2.gz OADIDIUYELOSCR-UHFFFAOYSA-N 1 2 200.282 -0.223 20 0 BBADLO CN(C(=O)c1cn[nH]c1)C1C[NH+](CCCO)C1 ZINC001042495670 710787122 /nfs/dbraw/zinc/78/71/22/710787122.db2.gz MDAFEFBWSVVFGZ-UHFFFAOYSA-N 1 2 238.291 -0.452 20 0 BBADLO COCC[NH+]1CC(N(C)C(=O)c2cn[nH]c2)C1 ZINC001042496148 710788251 /nfs/dbraw/zinc/78/82/51/710788251.db2.gz SOFUQQCNFXVMRS-UHFFFAOYSA-N 1 2 238.291 -0.188 20 0 BBADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)c2ccn[nH]2)C1 ZINC001042496557 710788127 /nfs/dbraw/zinc/78/81/27/710788127.db2.gz ZUQUBHGSOUHDDO-MRVPVSSYSA-N 1 2 238.291 -0.453 20 0 BBADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)c2cc[nH]n2)C1 ZINC001042496557 710788125 /nfs/dbraw/zinc/78/81/25/710788125.db2.gz ZUQUBHGSOUHDDO-MRVPVSSYSA-N 1 2 238.291 -0.453 20 0 BBADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)c2ccn[nH]2)C1 ZINC001042496558 710788268 /nfs/dbraw/zinc/78/82/68/710788268.db2.gz ZUQUBHGSOUHDDO-QMMMGPOBSA-N 1 2 238.291 -0.453 20 0 BBADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)c2cc[nH]n2)C1 ZINC001042496558 710788264 /nfs/dbraw/zinc/78/82/64/710788264.db2.gz ZUQUBHGSOUHDDO-QMMMGPOBSA-N 1 2 238.291 -0.453 20 0 BBADLO CN(C(=O)c1ccn[nH]1)C1C[NH+](CCCO)C1 ZINC001042497997 710788313 /nfs/dbraw/zinc/78/83/13/710788313.db2.gz ZIJMTLMBZIXDIE-UHFFFAOYSA-N 1 2 238.291 -0.452 20 0 BBADLO CN(C(=O)c1cc[nH]n1)C1C[NH+](CCCO)C1 ZINC001042497997 710788309 /nfs/dbraw/zinc/78/83/09/710788309.db2.gz ZIJMTLMBZIXDIE-UHFFFAOYSA-N 1 2 238.291 -0.452 20 0 BBADLO CN(C(=O)C[C@H]1CCCO1)C1C[NH+](CCO)C1 ZINC001042500592 710788170 /nfs/dbraw/zinc/78/81/70/710788170.db2.gz VJKJULOBSBOQBD-LLVKDONJSA-N 1 2 242.319 -0.310 20 0 BBADLO CN(C(=O)C[C@@H]1CCCO1)C1C[NH+](CCO)C1 ZINC001042500593 710788035 /nfs/dbraw/zinc/78/80/35/710788035.db2.gz VJKJULOBSBOQBD-NSHDSACASA-N 1 2 242.319 -0.310 20 0 BBADLO CN(C(=O)c1ccon1)C1C[NH+](CCCO)C1 ZINC001042501302 710788154 /nfs/dbraw/zinc/78/81/54/710788154.db2.gz BNKWBGONXFURAD-UHFFFAOYSA-N 1 2 239.275 -0.187 20 0 BBADLO CN(C(=O)c1cn[nH]c1)C1C[NH+](CCO)C1 ZINC001042503129 710787249 /nfs/dbraw/zinc/78/72/49/710787249.db2.gz IYXUQRQOYWQYIR-UHFFFAOYSA-N 1 2 224.264 -0.842 20 0 BBADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)c2cn[nH]c2)C1 ZINC001042503907 711777670 /nfs/dbraw/zinc/77/76/70/711777670.db2.gz XKFCWLNHNOBECQ-MRVPVSSYSA-N 1 2 238.291 -0.453 20 0 BBADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)c2cn[nH]c2)C1 ZINC001042503908 711777674 /nfs/dbraw/zinc/77/76/74/711777674.db2.gz XKFCWLNHNOBECQ-QMMMGPOBSA-N 1 2 238.291 -0.453 20 0 BBADLO CCO[C@@H]1C[C@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001042509414 710789915 /nfs/dbraw/zinc/78/99/15/710789915.db2.gz JZIPJTKDNJFCOT-GHMZBOCLSA-N 1 2 242.319 -0.454 20 0 BBADLO CCO[C@H]1C[C@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001042509416 710790054 /nfs/dbraw/zinc/79/00/54/710790054.db2.gz JZIPJTKDNJFCOT-MNOVXSKESA-N 1 2 242.319 -0.454 20 0 BBADLO CCO[C@H]1C[C@@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001042509417 710789551 /nfs/dbraw/zinc/78/95/51/710789551.db2.gz JZIPJTKDNJFCOT-QWRGUYRKSA-N 1 2 242.319 -0.454 20 0 BBADLO CCO[C@@H]1C[C@@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001042509419 710790351 /nfs/dbraw/zinc/79/03/51/710790351.db2.gz JZIPJTKDNJFCOT-WDEREUQCSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)c2ccon2)C1 ZINC001042513633 710790004 /nfs/dbraw/zinc/79/00/04/710790004.db2.gz VRTLKPZKIIYAIP-MRVPVSSYSA-N 1 2 239.275 -0.188 20 0 BBADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)c2ccon2)C1 ZINC001042513634 710790095 /nfs/dbraw/zinc/79/00/95/710790095.db2.gz VRTLKPZKIIYAIP-QMMMGPOBSA-N 1 2 239.275 -0.188 20 0 BBADLO COCC[NH+]1CC(N(C)C(=O)[C@H]2CCOC2)C1 ZINC001042523048 710790012 /nfs/dbraw/zinc/79/00/12/710790012.db2.gz IBFAMPDZBILBME-JTQLQIEISA-N 1 2 242.319 -0.188 20 0 BBADLO COCC[NH+]1CC(N(C)C(=O)[C@@H]2CCOC2)C1 ZINC001042523049 710790311 /nfs/dbraw/zinc/79/03/11/710790311.db2.gz IBFAMPDZBILBME-SNVBAGLBSA-N 1 2 242.319 -0.188 20 0 BBADLO CN(C(=O)c1ccnn1C)C1C[NH+](CCO)C1 ZINC001042524101 710789978 /nfs/dbraw/zinc/78/99/78/710789978.db2.gz JWLONSMLLRMVPR-UHFFFAOYSA-N 1 2 238.291 -0.831 20 0 BBADLO CN(C(=O)[C@@H]1CCOC1)C1C[NH+](CCO)C1 ZINC001042525251 710790846 /nfs/dbraw/zinc/79/08/46/710790846.db2.gz MTYDXFXLDSZWPH-SECBINFHSA-N 1 2 228.292 -0.842 20 0 BBADLO CN(C(=O)[C@H]1CCOC1)C1C[NH+](CCO)C1 ZINC001042525253 710791931 /nfs/dbraw/zinc/79/19/31/710791931.db2.gz MTYDXFXLDSZWPH-VIFPVBQESA-N 1 2 228.292 -0.842 20 0 BBADLO CN(C(=O)[C@H]1CCCOC1)C1C[NH+](CCO)C1 ZINC001042530199 710791511 /nfs/dbraw/zinc/79/15/11/710791511.db2.gz SWZXDYYIMYKZKM-JTQLQIEISA-N 1 2 242.319 -0.452 20 0 BBADLO CN(C(=O)[C@@H]1CCCOC1)C1C[NH+](CCO)C1 ZINC001042530200 710791952 /nfs/dbraw/zinc/79/19/52/710791952.db2.gz SWZXDYYIMYKZKM-SNVBAGLBSA-N 1 2 242.319 -0.452 20 0 BBADLO CN(C(=O)C1=COCCC1)C1C[NH+](CCO)C1 ZINC001042531116 710791829 /nfs/dbraw/zinc/79/18/29/710791829.db2.gz WMJGAMHVUBOMGJ-UHFFFAOYSA-N 1 2 240.303 -0.184 20 0 BBADLO CN(C(=O)c1cocn1)C1C[NH+](CCCO)C1 ZINC001042541178 710790880 /nfs/dbraw/zinc/79/08/80/710790880.db2.gz TWFPGJQKSYAVFP-UHFFFAOYSA-N 1 2 239.275 -0.187 20 0 BBADLO Cc1nc(C(=O)N(C)C2C[NH+](CCO)C2)c[nH]1 ZINC001042544068 710790741 /nfs/dbraw/zinc/79/07/41/710790741.db2.gz FOUQXHHEOHDCBT-UHFFFAOYSA-N 1 2 238.291 -0.533 20 0 BBADLO CC[NH+]1CC(N(C)C(=O)c2nccnc2N)C1 ZINC001042552642 711784325 /nfs/dbraw/zinc/78/43/25/711784325.db2.gz FQANWAGUPKMXNO-UHFFFAOYSA-N 1 2 235.291 -0.165 20 0 BBADLO CN(C(=O)Cc1ccon1)C1C[NH+](CCO)C1 ZINC001042553156 710790795 /nfs/dbraw/zinc/79/07/95/710790795.db2.gz PAJKNUHNIGDCLX-UHFFFAOYSA-N 1 2 239.275 -0.648 20 0 BBADLO CN(C(=O)C[C@@H]1CCOC1)C1C[NH+](CCO)C1 ZINC001042562065 710790702 /nfs/dbraw/zinc/79/07/02/710790702.db2.gz DXNALTGKMLTDPE-JTQLQIEISA-N 1 2 242.319 -0.452 20 0 BBADLO CN(C(=O)C[C@H]1CCOC1)C1C[NH+](CCO)C1 ZINC001042562066 710791572 /nfs/dbraw/zinc/79/15/72/710791572.db2.gz DXNALTGKMLTDPE-SNVBAGLBSA-N 1 2 242.319 -0.452 20 0 BBADLO CC[NH+]1CC(N(C)C(=O)c2nnn(C)c2C)C1 ZINC001042567461 710792742 /nfs/dbraw/zinc/79/27/42/710792742.db2.gz GACCWVNZVDSAAT-UHFFFAOYSA-N 1 2 237.307 -0.100 20 0 BBADLO CN(C(=O)c1ccn(C)c1)C1C[NH+](CCO)C1 ZINC001042613252 710794158 /nfs/dbraw/zinc/79/41/58/710794158.db2.gz LMACBUVYTSGHKA-UHFFFAOYSA-N 1 2 237.303 -0.226 20 0 BBADLO CN(C(=O)c1cn(C)cn1)C1C[NH+](CCO)C1 ZINC001042616998 710794214 /nfs/dbraw/zinc/79/42/14/710794214.db2.gz ZCDYMVTUCNUMFG-UHFFFAOYSA-N 1 2 238.291 -0.831 20 0 BBADLO CN(C(=O)Cc1cccnc1)C1C[NH+](CCO)C1 ZINC001042618615 710794119 /nfs/dbraw/zinc/79/41/19/710794119.db2.gz MPQWANRSGPDKFU-UHFFFAOYSA-N 1 2 249.314 -0.241 20 0 BBADLO CN(C(=O)[C@H]1CCCCO1)C1C[NH+](CCO)C1 ZINC001042618764 710794837 /nfs/dbraw/zinc/79/48/37/710794837.db2.gz PFKMHYLWZRNNJF-LLVKDONJSA-N 1 2 242.319 -0.310 20 0 BBADLO CN(C(=O)[C@@H]1CCCCO1)C1C[NH+](CCO)C1 ZINC001042618765 710793871 /nfs/dbraw/zinc/79/38/71/710793871.db2.gz PFKMHYLWZRNNJF-NSHDSACASA-N 1 2 242.319 -0.310 20 0 BBADLO CC[NH+]1CC(N(C)C(=O)c2cnnn2C)C1 ZINC001042678059 710796820 /nfs/dbraw/zinc/79/68/20/710796820.db2.gz BTXNIGSJJJVTKF-UHFFFAOYSA-N 1 2 223.280 -0.409 20 0 BBADLO CC[NH+]1CC(N(C)C(=O)c2cn(C)nn2)C1 ZINC001042684191 710797006 /nfs/dbraw/zinc/79/70/06/710797006.db2.gz KWWDLQCYMGRGEL-UHFFFAOYSA-N 1 2 223.280 -0.409 20 0 BBADLO CC[NH+]1CC(N(C)C(=O)c2ncn(C)n2)C1 ZINC001042686045 711797486 /nfs/dbraw/zinc/79/74/86/711797486.db2.gz HFYBBQAOGHIGRM-UHFFFAOYSA-N 1 2 223.280 -0.409 20 0 BBADLO CN(C(=O)c1ncc[nH]1)C1C[NH+](CCCO)C1 ZINC001042692121 710796853 /nfs/dbraw/zinc/79/68/53/710796853.db2.gz JFCLYBBJGFEYTO-UHFFFAOYSA-N 1 2 238.291 -0.452 20 0 BBADLO COCC[NH+]1CC(N(C)C(=O)c2ncc[nH]2)C1 ZINC001042692752 710796204 /nfs/dbraw/zinc/79/62/04/710796204.db2.gz VNRLNYPSQRMSBC-UHFFFAOYSA-N 1 2 238.291 -0.188 20 0 BBADLO CN(C(=O)[C@H]1CC1(F)F)C1C[NH+](CCO)C1 ZINC001042693643 710796519 /nfs/dbraw/zinc/79/65/19/710796519.db2.gz CWDURWXGOFKSLI-MRVPVSSYSA-N 1 2 234.246 -0.224 20 0 BBADLO CN(C(=O)[C@@H]1CC1(F)F)C1C[NH+](CCO)C1 ZINC001042693644 710797029 /nfs/dbraw/zinc/79/70/29/710797029.db2.gz CWDURWXGOFKSLI-QMMMGPOBSA-N 1 2 234.246 -0.224 20 0 BBADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)c2ncc[nH]2)C1 ZINC001042697606 710798196 /nfs/dbraw/zinc/79/81/96/710798196.db2.gz CFOHDPXWQJVFHX-MRVPVSSYSA-N 1 2 238.291 -0.453 20 0 BBADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)c2ncc[nH]2)C1 ZINC001042697607 710798530 /nfs/dbraw/zinc/79/85/30/710798530.db2.gz CFOHDPXWQJVFHX-QMMMGPOBSA-N 1 2 238.291 -0.453 20 0 BBADLO CN(C(=O)c1ncc[nH]1)C1C[NH+](CCO)C1 ZINC001042698013 710797924 /nfs/dbraw/zinc/79/79/24/710797924.db2.gz MOWWKDPNIMROTO-UHFFFAOYSA-N 1 2 224.264 -0.842 20 0 BBADLO CN(C(=O)[C@]12C[C@H]1COC2)C1C[NH+](CCO)C1 ZINC001042753333 710797579 /nfs/dbraw/zinc/79/75/79/710797579.db2.gz JSRNYJAGJOPDNI-CABZTGNLSA-N 1 2 240.303 -0.842 20 0 BBADLO CN(C(=O)C1(C)CC1)C1C[NH+](CCO)C1 ZINC001042762537 710797822 /nfs/dbraw/zinc/79/78/22/710797822.db2.gz ITKSBVWCWZDELL-UHFFFAOYSA-N 1 2 212.293 -0.079 20 0 BBADLO CN(C(=O)c1cc[nH]c1)C1C[NH+](CCO)C1 ZINC001042764896 710798292 /nfs/dbraw/zinc/79/82/92/710798292.db2.gz DUHXNGHJNYVGBB-UHFFFAOYSA-N 1 2 223.276 -0.237 20 0 BBADLO COC1CC(C(=O)N(C)C2C[NH+](CCO)C2)C1 ZINC001043013610 710802666 /nfs/dbraw/zinc/80/26/66/710802666.db2.gz IITWEFGRBHFDEJ-UHFFFAOYSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1C[C@@H](C(=O)N(C)C2C[NH+](CCO)C2)CO1 ZINC001043147312 710803825 /nfs/dbraw/zinc/80/38/25/710803825.db2.gz LYVCBXDKJWTEMQ-NXEZZACHSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@H]1C[C@H](C(=O)N(C)C2C[NH+](CCO)C2)CO1 ZINC001043147314 710804068 /nfs/dbraw/zinc/80/40/68/710804068.db2.gz LYVCBXDKJWTEMQ-UWVGGRQHSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@H]1C[C@@H](C(=O)N(C)C2C[NH+](CCO)C2)CO1 ZINC001043147316 710803800 /nfs/dbraw/zinc/80/38/00/710803800.db2.gz LYVCBXDKJWTEMQ-VHSXEESVSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1C[C@H](C(=O)N(C)C2C[NH+](CCO)C2)CO1 ZINC001043147318 710804505 /nfs/dbraw/zinc/80/45/05/710804505.db2.gz LYVCBXDKJWTEMQ-ZJUUUORDSA-N 1 2 242.319 -0.454 20 0 BBADLO CC[NH+]1CC(N(C)C(=O)c2cn[nH]n2)C1 ZINC001043201854 710803620 /nfs/dbraw/zinc/80/36/20/710803620.db2.gz MIJBYPMZVWZDKD-UHFFFAOYSA-N 1 2 209.253 -0.419 20 0 BBADLO CN(C(=O)c1cn[nH]n1)C1C[NH+](CCCF)C1 ZINC001043205953 710805361 /nfs/dbraw/zinc/80/53/61/710805361.db2.gz YZBHIFJMUORAKL-UHFFFAOYSA-N 1 2 241.270 -0.080 20 0 BBADLO CN(C(=O)c1cncn1C)C1C[NH+](CCO)C1 ZINC001043238741 710806359 /nfs/dbraw/zinc/80/63/59/710806359.db2.gz MOLQYMIFIXGVDH-UHFFFAOYSA-N 1 2 238.291 -0.831 20 0 BBADLO CN(C(=O)c1cc(F)c[nH]1)C1C[NH+](CCO)C1 ZINC001043379091 710805254 /nfs/dbraw/zinc/80/52/54/710805254.db2.gz HDPNJTFJHWNFFP-UHFFFAOYSA-N 1 2 241.266 -0.098 20 0 BBADLO C[C@@H]1CO[C@@H](C(=O)N(C)C2C[NH+](CCO)C2)C1 ZINC001043396620 710808094 /nfs/dbraw/zinc/80/80/94/710808094.db2.gz XOVNHABGIITZDF-GXSJLCMTSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@H]1CO[C@H](C(=O)N(C)C2C[NH+](CCO)C2)C1 ZINC001043396622 710806730 /nfs/dbraw/zinc/80/67/30/710806730.db2.gz XOVNHABGIITZDF-KOLCDFICSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@H]1CO[C@@H](C(=O)N(C)C2C[NH+](CCO)C2)C1 ZINC001043396624 710806669 /nfs/dbraw/zinc/80/66/69/710806669.db2.gz XOVNHABGIITZDF-MWLCHTKSSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1CO[C@H](C(=O)N(C)C2C[NH+](CCO)C2)C1 ZINC001043396625 710807239 /nfs/dbraw/zinc/80/72/39/710807239.db2.gz XOVNHABGIITZDF-ONGXEEELSA-N 1 2 242.319 -0.454 20 0 BBADLO CN(C(=O)c1cnco1)C1C[NH+](CCCO)C1 ZINC001043496494 710807748 /nfs/dbraw/zinc/80/77/48/710807748.db2.gz OFUMAXGWOQETSH-UHFFFAOYSA-N 1 2 239.275 -0.187 20 0 BBADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)c2cnco2)C1 ZINC001043497274 710807401 /nfs/dbraw/zinc/80/74/01/710807401.db2.gz JHJLUCHQIAGZMH-MRVPVSSYSA-N 1 2 239.275 -0.188 20 0 BBADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)c2cnco2)C1 ZINC001043497277 710807210 /nfs/dbraw/zinc/80/72/10/710807210.db2.gz JHJLUCHQIAGZMH-QMMMGPOBSA-N 1 2 239.275 -0.188 20 0 BBADLO Cc1n[nH]cc1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001043500065 710807899 /nfs/dbraw/zinc/80/78/99/710807899.db2.gz DLFFXQUNEZEWLM-UHFFFAOYSA-N 1 2 238.291 -0.533 20 0 BBADLO CC[NH+]1CC(N(C)C(=O)c2n[nH]nc2C)C1 ZINC001043507843 710809206 /nfs/dbraw/zinc/80/92/06/710809206.db2.gz HDQZZCFKNUQHGJ-UHFFFAOYSA-N 1 2 223.280 -0.111 20 0 BBADLO CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)C1C[NH+](CCO)C1 ZINC001043566889 710809804 /nfs/dbraw/zinc/80/98/04/710809804.db2.gz RDXCTWZDUCEOKB-URLYPYJESA-N 1 2 240.303 -0.986 20 0 BBADLO CN(C(=O)Cc1cnoc1)C1C[NH+](CCO)C1 ZINC001043610993 710810504 /nfs/dbraw/zinc/81/05/04/710810504.db2.gz DRTRYZLMJNRTLD-UHFFFAOYSA-N 1 2 239.275 -0.648 20 0 BBADLO CN(C(=O)C(N)=O)C1C[NH+](Cc2ccccc2)C1 ZINC001043715181 711951150 /nfs/dbraw/zinc/95/11/50/711951150.db2.gz WCBMXGNPQKOLOP-UHFFFAOYSA-N 1 2 247.298 -0.186 20 0 BBADLO C[C@@H](F)CC[NH+]1CC(N(C)C(=O)C(N)=O)C1 ZINC001043719261 710812474 /nfs/dbraw/zinc/81/24/74/710812474.db2.gz RFGRQCNGFIPNOX-SSDOTTSWSA-N 1 2 231.271 -0.638 20 0 BBADLO C[C@H](F)CC[NH+]1CC(N(C)C(=O)C(N)=O)C1 ZINC001043719264 710811983 /nfs/dbraw/zinc/81/19/83/710811983.db2.gz RFGRQCNGFIPNOX-ZETCQYMHSA-N 1 2 231.271 -0.638 20 0 BBADLO CC[C@H](C[NH+]1CC(N(C)C(=O)C(N)=O)C1)OC ZINC001043721087 710812611 /nfs/dbraw/zinc/81/26/11/710812611.db2.gz OEKSMNQDHYOZFT-SECBINFHSA-N 1 2 243.307 -0.961 20 0 BBADLO CC[C@@H](C[NH+]1CC(N(C)C(=O)C(N)=O)C1)OC ZINC001043721090 710812448 /nfs/dbraw/zinc/81/24/48/710812448.db2.gz OEKSMNQDHYOZFT-VIFPVBQESA-N 1 2 243.307 -0.961 20 0 BBADLO C[C@@H]1CCO[C@@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001043912005 710814448 /nfs/dbraw/zinc/81/44/48/710814448.db2.gz DMVMJHYNMAKASY-KOLCDFICSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1CC[C@H](C(=O)N(C)C2C[NH+](CCO)C2)O1 ZINC001043932835 710817359 /nfs/dbraw/zinc/81/73/59/710817359.db2.gz NRCGODFYOWGTFB-MWLCHTKSSA-N 1 2 242.319 -0.311 20 0 BBADLO CN(C(=O)[C@@H]1CC12CC2)C1C[NH+](CCO)C1 ZINC001043969593 710817175 /nfs/dbraw/zinc/81/71/75/710817175.db2.gz AJIGULCFPYXSES-JTQLQIEISA-N 1 2 224.304 -0.079 20 0 BBADLO CN(C(=O)[C@H]1CC12CC2)C1C[NH+](CCO)C1 ZINC001043969594 710817270 /nfs/dbraw/zinc/81/72/70/710817270.db2.gz AJIGULCFPYXSES-SNVBAGLBSA-N 1 2 224.304 -0.079 20 0 BBADLO Cc1c[nH]c(C(=O)N(C)C2C[NH+](CCO)C2)n1 ZINC001044029260 710816829 /nfs/dbraw/zinc/81/68/29/710816829.db2.gz AYHFVKWQLHVWBZ-UHFFFAOYSA-N 1 2 238.291 -0.533 20 0 BBADLO CC[NH+]1CC(N(C)C(=O)c2cnn(C)n2)C1 ZINC001044047264 710818123 /nfs/dbraw/zinc/81/81/23/710818123.db2.gz HJDHUHQUXZEBCP-UHFFFAOYSA-N 1 2 223.280 -0.409 20 0 BBADLO CC[NH+]1CC(N(C)C(=O)c2nc[nH]n2)C1 ZINC001044066566 710818671 /nfs/dbraw/zinc/81/86/71/710818671.db2.gz BAJXUPOIAGNCKZ-UHFFFAOYSA-N 1 2 209.253 -0.419 20 0 BBADLO COCC[NH+]1CC(N(C)C(=O)c2nc[nH]n2)C1 ZINC001044067333 710819028 /nfs/dbraw/zinc/81/90/28/710819028.db2.gz LXSDXYSNKKZEBX-UHFFFAOYSA-N 1 2 239.279 -0.793 20 0 BBADLO CN(C(=O)c1nc[nH]n1)C1C[NH+](CCCF)C1 ZINC001044070960 710818989 /nfs/dbraw/zinc/81/89/89/710818989.db2.gz YQMKYTVXAHVZFR-UHFFFAOYSA-N 1 2 241.270 -0.080 20 0 BBADLO CN(C(=O)c1cnon1)C1C[NH+](CCCO)C1 ZINC001044072838 710819041 /nfs/dbraw/zinc/81/90/41/710819041.db2.gz VHRHBCLZQXCTJW-UHFFFAOYSA-N 1 2 240.263 -0.792 20 0 BBADLO CN(C(=O)Cc1ccco1)C1C[NH+](CCO)C1 ZINC001044073064 710817833 /nfs/dbraw/zinc/81/78/33/710817833.db2.gz FQFHFTRMMHBDKT-UHFFFAOYSA-N 1 2 238.287 -0.043 20 0 BBADLO CC[NH+]1CC(N(C)C(=O)c2cnon2)C1 ZINC001044077642 710818663 /nfs/dbraw/zinc/81/86/63/710818663.db2.gz ZATVGUOYKYQJEU-UHFFFAOYSA-N 1 2 210.237 -0.154 20 0 BBADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)c2cnon2)C1 ZINC001044077690 710818572 /nfs/dbraw/zinc/81/85/72/710818572.db2.gz ZXDMQVAAQMZKFH-SSDOTTSWSA-N 1 2 240.263 -0.793 20 0 BBADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)c2cnon2)C1 ZINC001044077691 710818130 /nfs/dbraw/zinc/81/81/30/710818130.db2.gz ZXDMQVAAQMZKFH-ZETCQYMHSA-N 1 2 240.263 -0.793 20 0 BBADLO C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001044090650 710818583 /nfs/dbraw/zinc/81/85/83/710818583.db2.gz CZLIKKBABDCGIA-GXSJLCMTSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001044090651 710818831 /nfs/dbraw/zinc/81/88/31/710818831.db2.gz CZLIKKBABDCGIA-KOLCDFICSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001044090652 710818406 /nfs/dbraw/zinc/81/84/06/710818406.db2.gz CZLIKKBABDCGIA-MWLCHTKSSA-N 1 2 242.319 -0.454 20 0 BBADLO C[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001044090653 710817960 /nfs/dbraw/zinc/81/79/60/710817960.db2.gz CZLIKKBABDCGIA-ONGXEEELSA-N 1 2 242.319 -0.454 20 0 BBADLO CN(C(=O)[C@]1(C)CCOC1)C1C[NH+](CCO)C1 ZINC001044091061 711957587 /nfs/dbraw/zinc/95/75/87/711957587.db2.gz IBFKWSIAJHRPOW-GFCCVEGCSA-N 1 2 242.319 -0.452 20 0 BBADLO CN(C(=O)[C@@]1(C)CCOC1)C1C[NH+](CCO)C1 ZINC001044091063 711957942 /nfs/dbraw/zinc/95/79/42/711957942.db2.gz IBFKWSIAJHRPOW-LBPRGKRZSA-N 1 2 242.319 -0.452 20 0 BBADLO CN(C(=O)Cc1ncc[nH]1)C1C[NH+](CCO)C1 ZINC001044093725 710819734 /nfs/dbraw/zinc/81/97/34/710819734.db2.gz XYPXPWSXFMDYSM-UHFFFAOYSA-N 1 2 238.291 -0.913 20 0 BBADLO CN(C(=O)Cc1ccc[nH]1)C1C[NH+](CCO)C1 ZINC001044321992 710822872 /nfs/dbraw/zinc/82/28/72/710822872.db2.gz XNSLJMXQADHCDV-UHFFFAOYSA-N 1 2 237.303 -0.308 20 0 BBADLO CN(C(=O)Cn1cc[nH+]c1)C1CN(CCF)C1 ZINC001044365592 710824080 /nfs/dbraw/zinc/82/40/80/710824080.db2.gz VWLLHAORSUJVEP-UHFFFAOYSA-N 1 2 240.282 -0.005 20 0 BBADLO CN(C(=O)Cn1cc[nH+]c1)C1CN(CCO)C1 ZINC001044368876 710824275 /nfs/dbraw/zinc/82/42/75/710824275.db2.gz YAGCDPKMCSXRFJ-UHFFFAOYSA-N 1 2 238.291 -0.982 20 0 BBADLO Cc1nc[nH]c1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001044380572 710824866 /nfs/dbraw/zinc/82/48/66/710824866.db2.gz SDBPOKKZSHOICK-UHFFFAOYSA-N 1 2 238.291 -0.533 20 0 BBADLO CC(=O)N1CCC[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001044890514 710830752 /nfs/dbraw/zinc/83/07/52/710830752.db2.gz PKRZEYWDLJZNMZ-VIFPVBQESA-N 1 2 238.295 -0.689 20 0 BBADLO CC(=O)N[C@@]1(C)CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001046085579 710846459 /nfs/dbraw/zinc/84/64/59/710846459.db2.gz BRJLDGPMUAMBSK-JTQLQIEISA-N 1 2 248.348 -0.369 20 0 BBADLO CC(=O)N[C@@]1(C)CC[N@H+](CCS(C)(=O)=O)C1 ZINC001046085579 710846456 /nfs/dbraw/zinc/84/64/56/710846456.db2.gz BRJLDGPMUAMBSK-JTQLQIEISA-N 1 2 248.348 -0.369 20 0 BBADLO CC(=O)N[C@]1(C)CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001046085580 710846408 /nfs/dbraw/zinc/84/64/08/710846408.db2.gz BRJLDGPMUAMBSK-SNVBAGLBSA-N 1 2 248.348 -0.369 20 0 BBADLO CC(=O)N[C@]1(C)CC[N@H+](CCS(C)(=O)=O)C1 ZINC001046085580 710846405 /nfs/dbraw/zinc/84/64/05/710846405.db2.gz BRJLDGPMUAMBSK-SNVBAGLBSA-N 1 2 248.348 -0.369 20 0 BBADLO CC(=O)N[C@]1(C)CC[N@H+](Cc2cn(C)nn2)C1 ZINC001046090336 710846242 /nfs/dbraw/zinc/84/62/42/710846242.db2.gz SWGWGAYTNRVKPH-LLVKDONJSA-N 1 2 237.307 -0.084 20 0 BBADLO CC(=O)N[C@]1(C)CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001046090336 710846240 /nfs/dbraw/zinc/84/62/40/710846240.db2.gz SWGWGAYTNRVKPH-LLVKDONJSA-N 1 2 237.307 -0.084 20 0 BBADLO CC(=O)N[C@@]1(C)CC[N@H+](Cc2cn(C)nn2)C1 ZINC001046090337 710845776 /nfs/dbraw/zinc/84/57/76/710845776.db2.gz SWGWGAYTNRVKPH-NSHDSACASA-N 1 2 237.307 -0.084 20 0 BBADLO CC(=O)N[C@@]1(C)CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001046090337 710845770 /nfs/dbraw/zinc/84/57/70/710845770.db2.gz SWGWGAYTNRVKPH-NSHDSACASA-N 1 2 237.307 -0.084 20 0 BBADLO CC(=O)N(C)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047272273 710869935 /nfs/dbraw/zinc/86/99/35/710869935.db2.gz XQINAKGDSYGZTF-IUCAKERBSA-N 1 2 204.245 -0.521 20 0 BBADLO CC(=O)N(C)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047272273 710869931 /nfs/dbraw/zinc/86/99/31/710869931.db2.gz XQINAKGDSYGZTF-IUCAKERBSA-N 1 2 204.245 -0.521 20 0 BBADLO CN(C(=O)C1CC1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047273584 710869848 /nfs/dbraw/zinc/86/98/48/710869848.db2.gz OYXRSNJHNDUNCI-UWVGGRQHSA-N 1 2 230.283 -0.131 20 0 BBADLO CN(C(=O)C1CC1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047273584 710869844 /nfs/dbraw/zinc/86/98/44/710869844.db2.gz OYXRSNJHNDUNCI-UWVGGRQHSA-N 1 2 230.283 -0.131 20 0 BBADLO CO[C@@H](C)C[N@H+]1CCOC[C@H]1CNC(C)=O ZINC001050776377 710954708 /nfs/dbraw/zinc/95/47/08/710954708.db2.gz IQRFOVLABADKIP-GXSJLCMTSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@@H](C)C[N@@H+]1CCOC[C@H]1CNC(C)=O ZINC001050776377 710954706 /nfs/dbraw/zinc/95/47/06/710954706.db2.gz IQRFOVLABADKIP-GXSJLCMTSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@H](C)C[N@H+]1CCOC[C@@H]1CNC(C)=O ZINC001050776378 710954624 /nfs/dbraw/zinc/95/46/24/710954624.db2.gz IQRFOVLABADKIP-KOLCDFICSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@H](C)C[N@@H+]1CCOC[C@@H]1CNC(C)=O ZINC001050776378 710954620 /nfs/dbraw/zinc/95/46/20/710954620.db2.gz IQRFOVLABADKIP-KOLCDFICSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@H](C)C[N@H+]1CCOC[C@H]1CNC(C)=O ZINC001050776379 710954994 /nfs/dbraw/zinc/95/49/94/710954994.db2.gz IQRFOVLABADKIP-MWLCHTKSSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@H](C)C[N@@H+]1CCOC[C@H]1CNC(C)=O ZINC001050776379 710954990 /nfs/dbraw/zinc/95/49/90/710954990.db2.gz IQRFOVLABADKIP-MWLCHTKSSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@@H](C)C[N@H+]1CCOC[C@@H]1CNC(C)=O ZINC001050776381 710954677 /nfs/dbraw/zinc/95/46/77/710954677.db2.gz IQRFOVLABADKIP-ONGXEEELSA-N 1 2 230.308 -0.142 20 0 BBADLO CO[C@@H](C)C[N@@H+]1CCOC[C@@H]1CNC(C)=O ZINC001050776381 710954675 /nfs/dbraw/zinc/95/46/75/710954675.db2.gz IQRFOVLABADKIP-ONGXEEELSA-N 1 2 230.308 -0.142 20 0 BBADLO CC(=O)NC[C@H]1COCC[N@H+]1CCCO ZINC001050778918 710954942 /nfs/dbraw/zinc/95/49/42/710954942.db2.gz UPFTWBGYFHUEPH-JTQLQIEISA-N 1 2 216.281 -0.794 20 0 BBADLO CC(=O)NC[C@H]1COCC[N@@H+]1CCCO ZINC001050778918 710954938 /nfs/dbraw/zinc/95/49/38/710954938.db2.gz UPFTWBGYFHUEPH-JTQLQIEISA-N 1 2 216.281 -0.794 20 0 BBADLO CC(=O)NC[C@@H]1COCC[N@H+]1CCCO ZINC001050778921 710955213 /nfs/dbraw/zinc/95/52/13/710955213.db2.gz UPFTWBGYFHUEPH-SNVBAGLBSA-N 1 2 216.281 -0.794 20 0 BBADLO CC(=O)NC[C@@H]1COCC[N@@H+]1CCCO ZINC001050778921 710955211 /nfs/dbraw/zinc/95/52/11/710955211.db2.gz UPFTWBGYFHUEPH-SNVBAGLBSA-N 1 2 216.281 -0.794 20 0 BBADLO CC(=O)NC[C@@H]1COCC[N@@H+]1C[C@@H](C)O ZINC001050780580 710954688 /nfs/dbraw/zinc/95/46/88/710954688.db2.gz DVTKYQHPWOBXRZ-PSASIEDQSA-N 1 2 216.281 -0.796 20 0 BBADLO CC(=O)NC[C@@H]1COCC[N@H+]1C[C@@H](C)O ZINC001050780580 710954684 /nfs/dbraw/zinc/95/46/84/710954684.db2.gz DVTKYQHPWOBXRZ-PSASIEDQSA-N 1 2 216.281 -0.796 20 0 BBADLO CC(=O)NC[C@H]1COCC[N@@H+]1C[C@@H](C)O ZINC001050780581 710955008 /nfs/dbraw/zinc/95/50/08/710955008.db2.gz DVTKYQHPWOBXRZ-SCZZXKLOSA-N 1 2 216.281 -0.796 20 0 BBADLO CC(=O)NC[C@H]1COCC[N@H+]1C[C@@H](C)O ZINC001050780581 710955004 /nfs/dbraw/zinc/95/50/04/710955004.db2.gz DVTKYQHPWOBXRZ-SCZZXKLOSA-N 1 2 216.281 -0.796 20 0 BBADLO CC(=O)NC[C@@H]1COCC[N@@H+]1C[C@H](C)O ZINC001050780582 710954357 /nfs/dbraw/zinc/95/43/57/710954357.db2.gz DVTKYQHPWOBXRZ-WCBMZHEXSA-N 1 2 216.281 -0.796 20 0 BBADLO CC(=O)NC[C@@H]1COCC[N@H+]1C[C@H](C)O ZINC001050780582 710954353 /nfs/dbraw/zinc/95/43/53/710954353.db2.gz DVTKYQHPWOBXRZ-WCBMZHEXSA-N 1 2 216.281 -0.796 20 0 BBADLO CC(=O)NC[C@H]1COCC[N@@H+]1C[C@H](C)O ZINC001050780584 710954310 /nfs/dbraw/zinc/95/43/10/710954310.db2.gz DVTKYQHPWOBXRZ-WPRPVWTQSA-N 1 2 216.281 -0.796 20 0 BBADLO CC(=O)NC[C@H]1COCC[N@H+]1C[C@H](C)O ZINC001050780584 710954306 /nfs/dbraw/zinc/95/43/06/710954306.db2.gz DVTKYQHPWOBXRZ-WPRPVWTQSA-N 1 2 216.281 -0.796 20 0 BBADLO CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCOC1 ZINC001050838752 710955597 /nfs/dbraw/zinc/95/55/97/710955597.db2.gz AEXNPOPSMPBJDE-GHMZBOCLSA-N 1 2 242.319 -0.140 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCOC1 ZINC001050838752 710955595 /nfs/dbraw/zinc/95/55/95/710955595.db2.gz AEXNPOPSMPBJDE-GHMZBOCLSA-N 1 2 242.319 -0.140 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCOC1 ZINC001050838754 710955615 /nfs/dbraw/zinc/95/56/15/710955615.db2.gz AEXNPOPSMPBJDE-MNOVXSKESA-N 1 2 242.319 -0.140 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCOC1 ZINC001050838754 710955612 /nfs/dbraw/zinc/95/56/12/710955612.db2.gz AEXNPOPSMPBJDE-MNOVXSKESA-N 1 2 242.319 -0.140 20 0 BBADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC001050838756 710956234 /nfs/dbraw/zinc/95/62/34/710956234.db2.gz AEXNPOPSMPBJDE-QWRGUYRKSA-N 1 2 242.319 -0.140 20 0 BBADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC001050838756 710956228 /nfs/dbraw/zinc/95/62/28/710956228.db2.gz AEXNPOPSMPBJDE-QWRGUYRKSA-N 1 2 242.319 -0.140 20 0 BBADLO CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCOC1 ZINC001050838757 710956645 /nfs/dbraw/zinc/95/66/45/710956645.db2.gz AEXNPOPSMPBJDE-WDEREUQCSA-N 1 2 242.319 -0.140 20 0 BBADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCOC1 ZINC001050838757 710956641 /nfs/dbraw/zinc/95/66/41/710956641.db2.gz AEXNPOPSMPBJDE-WDEREUQCSA-N 1 2 242.319 -0.140 20 0 BBADLO CC[NH+]1CC2(C1)CN(C(=O)COC)CCO2 ZINC001053110467 710917624 /nfs/dbraw/zinc/91/76/24/710917624.db2.gz LKHPRPHVCALAFN-UHFFFAOYSA-N 1 2 228.292 -0.434 20 0 BBADLO COCC(=O)N1CCOC2(C[NH+](C(C)C)C2)C1 ZINC001053111008 710920081 /nfs/dbraw/zinc/92/00/81/710920081.db2.gz VKJIHDVJFUAKLT-UHFFFAOYSA-N 1 2 242.319 -0.046 20 0 BBADLO CO[C@@H](C)C[NH+]1CC2(C1)CN(C(C)=O)CCO2 ZINC001053111118 710919779 /nfs/dbraw/zinc/91/97/79/710919779.db2.gz WVLIHZWTKUZSFO-JTQLQIEISA-N 1 2 242.319 -0.046 20 0 BBADLO CO[C@H](C)C[NH+]1CC2(C1)CN(C(C)=O)CCO2 ZINC001053111120 710919886 /nfs/dbraw/zinc/91/98/86/710919886.db2.gz WVLIHZWTKUZSFO-SNVBAGLBSA-N 1 2 242.319 -0.046 20 0 BBADLO CCC[NH+]1CC2(C1)CN(C(=O)COC)CCO2 ZINC001053111866 710917761 /nfs/dbraw/zinc/91/77/61/710917761.db2.gz OJIXRWMFNGRMJP-UHFFFAOYSA-N 1 2 242.319 -0.044 20 0 BBADLO CC[NH+]1CC2(C1)CN(C(=O)[C@H](C)OC)CCO2 ZINC001053179212 710920073 /nfs/dbraw/zinc/92/00/73/710920073.db2.gz UHWNQOYZMHXETJ-JTQLQIEISA-N 1 2 242.319 -0.046 20 0 BBADLO CC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)OC)CCO2 ZINC001053179213 710919406 /nfs/dbraw/zinc/91/94/06/710919406.db2.gz UHWNQOYZMHXETJ-SNVBAGLBSA-N 1 2 242.319 -0.046 20 0 BBADLO CC(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001053557643 710920852 /nfs/dbraw/zinc/92/08/52/710920852.db2.gz JQWKHDJSBHIBEJ-JTQLQIEISA-N 1 2 228.292 -0.652 20 0 BBADLO CC(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001053557644 710921564 /nfs/dbraw/zinc/92/15/64/710921564.db2.gz JQWKHDJSBHIBEJ-SNVBAGLBSA-N 1 2 228.292 -0.652 20 0 BBADLO CCC(=O)N[C@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001053707336 710920513 /nfs/dbraw/zinc/92/05/13/710920513.db2.gz FSTZSTWNLRZZCG-NXEZZACHSA-N 1 2 242.319 -0.263 20 0 BBADLO CCC(=O)N[C@@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001053707337 710921187 /nfs/dbraw/zinc/92/11/87/710921187.db2.gz FSTZSTWNLRZZCG-UWVGGRQHSA-N 1 2 242.319 -0.263 20 0 BBADLO CCC(=O)N[C@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001053707338 710921036 /nfs/dbraw/zinc/92/10/36/710921036.db2.gz FSTZSTWNLRZZCG-VHSXEESVSA-N 1 2 242.319 -0.263 20 0 BBADLO CCC(=O)N[C@@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001053707339 710921685 /nfs/dbraw/zinc/92/16/85/710921685.db2.gz FSTZSTWNLRZZCG-ZJUUUORDSA-N 1 2 242.319 -0.263 20 0 BBADLO CCC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053708793 710920819 /nfs/dbraw/zinc/92/08/19/710920819.db2.gz LIHKWLCGURSXAR-SECBINFHSA-N 1 2 228.292 -0.652 20 0 BBADLO CCC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053708794 710921171 /nfs/dbraw/zinc/92/11/71/710921171.db2.gz LIHKWLCGURSXAR-VIFPVBQESA-N 1 2 228.292 -0.652 20 0 BBADLO CC(=O)N[C@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001053709187 710921723 /nfs/dbraw/zinc/92/17/23/710921723.db2.gz RPNTVEQJEDCEBN-PSASIEDQSA-N 1 2 228.292 -0.653 20 0 BBADLO CC(=O)N[C@@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001053709188 710920874 /nfs/dbraw/zinc/92/08/74/710920874.db2.gz RPNTVEQJEDCEBN-SCZZXKLOSA-N 1 2 228.292 -0.653 20 0 BBADLO CC(=O)N[C@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001053709189 710921742 /nfs/dbraw/zinc/92/17/42/710921742.db2.gz RPNTVEQJEDCEBN-WCBMZHEXSA-N 1 2 228.292 -0.653 20 0 BBADLO CC(=O)N[C@@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001053709190 710921729 /nfs/dbraw/zinc/92/17/29/710921729.db2.gz RPNTVEQJEDCEBN-WPRPVWTQSA-N 1 2 228.292 -0.653 20 0 BBADLO CCC(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053709636 710921357 /nfs/dbraw/zinc/92/13/57/710921357.db2.gz ZCUUMGHTZDVKFN-JTQLQIEISA-N 1 2 242.319 -0.262 20 0 BBADLO CCC(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053709637 710921706 /nfs/dbraw/zinc/92/17/06/710921706.db2.gz ZCUUMGHTZDVKFN-SNVBAGLBSA-N 1 2 242.319 -0.262 20 0 BBADLO COCC[NH+]1CC2(C1)C[C@H](NC(C)=O)CO2 ZINC001053709709 710921230 /nfs/dbraw/zinc/92/12/30/710921230.db2.gz ZYEVRJDDSWBRLV-JTQLQIEISA-N 1 2 228.292 -0.388 20 0 BBADLO COCC[NH+]1CC2(C1)C[C@@H](NC(C)=O)CO2 ZINC001053709710 710920782 /nfs/dbraw/zinc/92/07/82/710920782.db2.gz ZYEVRJDDSWBRLV-SNVBAGLBSA-N 1 2 228.292 -0.388 20 0 BBADLO CC(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053710940 710921251 /nfs/dbraw/zinc/92/12/51/710921251.db2.gz CLFCATODIABQCN-JTQLQIEISA-N 1 2 228.292 -0.652 20 0 BBADLO CC(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053710941 710921264 /nfs/dbraw/zinc/92/12/64/710921264.db2.gz CLFCATODIABQCN-SNVBAGLBSA-N 1 2 228.292 -0.652 20 0 BBADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)C1CC1 ZINC001053713191 710920756 /nfs/dbraw/zinc/92/07/56/710920756.db2.gz FCVTZDUXTQIDEG-JTQLQIEISA-N 1 2 240.303 -0.652 20 0 BBADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)C1CC1 ZINC001053713192 710920984 /nfs/dbraw/zinc/92/09/84/710920984.db2.gz FCVTZDUXTQIDEG-SNVBAGLBSA-N 1 2 240.303 -0.652 20 0 BBADLO CC(C)C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053740774 710922678 /nfs/dbraw/zinc/92/26/78/710922678.db2.gz STTOOPHRGCDLSZ-JTQLQIEISA-N 1 2 242.319 -0.406 20 0 BBADLO CC(C)C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053740775 710922906 /nfs/dbraw/zinc/92/29/06/710922906.db2.gz STTOOPHRGCDLSZ-SNVBAGLBSA-N 1 2 242.319 -0.406 20 0 BBADLO CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001054300851 711946082 /nfs/dbraw/zinc/94/60/82/711946082.db2.gz SGYLSNLBGZATGL-APPZFPTMSA-N 1 2 238.295 -0.834 20 0 BBADLO CC(=O)N1C[C@H]([NH2+]Cc2nnn(C)n2)[C@@H](C)C1 ZINC001054300852 711946266 /nfs/dbraw/zinc/94/62/66/711946266.db2.gz SGYLSNLBGZATGL-CBAPKCEASA-N 1 2 238.295 -0.834 20 0 BBADLO CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001054300853 711946217 /nfs/dbraw/zinc/94/62/17/711946217.db2.gz SGYLSNLBGZATGL-IONNQARKSA-N 1 2 238.295 -0.834 20 0 BBADLO CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001054300854 711946301 /nfs/dbraw/zinc/94/63/01/711946301.db2.gz SGYLSNLBGZATGL-VXNVDRBHSA-N 1 2 238.295 -0.834 20 0 BBADLO Cc1nc(N[C@@H]2CCN(C(=O)C(N)=O)C2)cc[nH+]1 ZINC001056759831 710948326 /nfs/dbraw/zinc/94/83/26/710948326.db2.gz XAKWZSSPGDZDOP-MRVPVSSYSA-N 1 2 249.274 -0.717 20 0 BBADLO Cc1nc(N[C@H]2CCN(C(=O)C(N)=O)C2)cc[nH+]1 ZINC001059041740 711765057 /nfs/dbraw/zinc/76/50/57/711765057.db2.gz XAKWZSSPGDZDOP-QMMMGPOBSA-N 1 2 249.274 -0.717 20 0 BBADLO Cc1nc(N[C@H]2C[C@H](NC(=O)C(N)=O)C2)cc[nH+]1 ZINC001059393837 711781435 /nfs/dbraw/zinc/78/14/35/711781435.db2.gz MKPVZVWGCFLSDB-ZKCHVHJHSA-N 1 2 249.274 -0.671 20 0 BBADLO Cc1nc(N[C@H]2C[C@@H](NC(=O)C(N)=O)C2)cc[nH+]1 ZINC001059803948 711791917 /nfs/dbraw/zinc/79/19/17/711791917.db2.gz MKPVZVWGCFLSDB-OCAPTIKFSA-N 1 2 249.274 -0.671 20 0 BBADLO C[C@@H]1CC[C@@H](NC(=O)C2CC2)C[N@H+]1CC(N)=O ZINC001071294319 711186694 /nfs/dbraw/zinc/18/66/94/711186694.db2.gz QYGUEZWPHPRMRZ-PSASIEDQSA-N 1 2 239.319 -0.149 20 0 BBADLO C[C@@H]1CC[C@@H](NC(=O)C2CC2)C[N@@H+]1CC(N)=O ZINC001071294319 711186689 /nfs/dbraw/zinc/18/66/89/711186689.db2.gz QYGUEZWPHPRMRZ-PSASIEDQSA-N 1 2 239.319 -0.149 20 0 BBADLO C[C@@H]1CC[C@H](NC(=O)C2CC2)C[N@H+]1CC(N)=O ZINC001071294320 711186252 /nfs/dbraw/zinc/18/62/52/711186252.db2.gz QYGUEZWPHPRMRZ-SCZZXKLOSA-N 1 2 239.319 -0.149 20 0 BBADLO C[C@@H]1CC[C@H](NC(=O)C2CC2)C[N@@H+]1CC(N)=O ZINC001071294320 711186251 /nfs/dbraw/zinc/18/62/51/711186251.db2.gz QYGUEZWPHPRMRZ-SCZZXKLOSA-N 1 2 239.319 -0.149 20 0 BBADLO C[C@H]1CC[C@@H](NC(=O)C2CC2)C[N@H+]1CC(N)=O ZINC001071294321 711185826 /nfs/dbraw/zinc/18/58/26/711185826.db2.gz QYGUEZWPHPRMRZ-WCBMZHEXSA-N 1 2 239.319 -0.149 20 0 BBADLO C[C@H]1CC[C@@H](NC(=O)C2CC2)C[N@@H+]1CC(N)=O ZINC001071294321 711185825 /nfs/dbraw/zinc/18/58/25/711185825.db2.gz QYGUEZWPHPRMRZ-WCBMZHEXSA-N 1 2 239.319 -0.149 20 0 BBADLO C[C@H]1CC[C@H](NC(=O)C2CC2)C[N@H+]1CC(N)=O ZINC001071294322 711186302 /nfs/dbraw/zinc/18/63/02/711186302.db2.gz QYGUEZWPHPRMRZ-WPRPVWTQSA-N 1 2 239.319 -0.149 20 0 BBADLO C[C@H]1CC[C@H](NC(=O)C2CC2)C[N@@H+]1CC(N)=O ZINC001071294322 711186301 /nfs/dbraw/zinc/18/63/01/711186301.db2.gz QYGUEZWPHPRMRZ-WPRPVWTQSA-N 1 2 239.319 -0.149 20 0 BBADLO C[C@@H]1CC[C@@H](NC(=O)C(N)=O)C[N@H+]1CCF ZINC001071788116 711202169 /nfs/dbraw/zinc/20/21/69/711202169.db2.gz FPPXKBNNKUOZOP-HTQZYQBOSA-N 1 2 231.271 -0.590 20 0 BBADLO C[C@@H]1CC[C@@H](NC(=O)C(N)=O)C[N@@H+]1CCF ZINC001071788116 711202168 /nfs/dbraw/zinc/20/21/68/711202168.db2.gz FPPXKBNNKUOZOP-HTQZYQBOSA-N 1 2 231.271 -0.590 20 0 BBADLO C[C@H]1CC[C@@H](NC(=O)C(N)=O)C[N@H+]1CCF ZINC001071788125 711201906 /nfs/dbraw/zinc/20/19/06/711201906.db2.gz FPPXKBNNKUOZOP-JGVFFNPUSA-N 1 2 231.271 -0.590 20 0 BBADLO C[C@H]1CC[C@@H](NC(=O)C(N)=O)C[N@@H+]1CCF ZINC001071788125 711201904 /nfs/dbraw/zinc/20/19/04/711201904.db2.gz FPPXKBNNKUOZOP-JGVFFNPUSA-N 1 2 231.271 -0.590 20 0 BBADLO C[C@@H]1CC[C@H](NC(=O)C(N)=O)C[N@H+]1CCF ZINC001071788126 711202259 /nfs/dbraw/zinc/20/22/59/711202259.db2.gz FPPXKBNNKUOZOP-SFYZADRCSA-N 1 2 231.271 -0.590 20 0 BBADLO C[C@@H]1CC[C@H](NC(=O)C(N)=O)C[N@@H+]1CCF ZINC001071788126 711202251 /nfs/dbraw/zinc/20/22/51/711202251.db2.gz FPPXKBNNKUOZOP-SFYZADRCSA-N 1 2 231.271 -0.590 20 0 BBADLO C[C@H]1CC[C@H](NC(=O)C(N)=O)C[N@H+]1CCF ZINC001071788128 711202149 /nfs/dbraw/zinc/20/21/49/711202149.db2.gz FPPXKBNNKUOZOP-YUMQZZPRSA-N 1 2 231.271 -0.590 20 0 BBADLO C[C@H]1CC[C@H](NC(=O)C(N)=O)C[N@@H+]1CCF ZINC001071788128 711202148 /nfs/dbraw/zinc/20/21/48/711202148.db2.gz FPPXKBNNKUOZOP-YUMQZZPRSA-N 1 2 231.271 -0.590 20 0 BBADLO CCC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001074118581 711442166 /nfs/dbraw/zinc/44/21/66/711442166.db2.gz JTOCTVKCRUHESU-GHMZBOCLSA-N 1 2 242.319 -0.310 20 0 BBADLO CCC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001074118581 711442164 /nfs/dbraw/zinc/44/21/64/711442164.db2.gz JTOCTVKCRUHESU-GHMZBOCLSA-N 1 2 242.319 -0.310 20 0 BBADLO CCC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001074118582 711441921 /nfs/dbraw/zinc/44/19/21/711441921.db2.gz JTOCTVKCRUHESU-MNOVXSKESA-N 1 2 242.319 -0.310 20 0 BBADLO CCC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001074118582 711441918 /nfs/dbraw/zinc/44/19/18/711441918.db2.gz JTOCTVKCRUHESU-MNOVXSKESA-N 1 2 242.319 -0.310 20 0 BBADLO CCC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001074118583 711441401 /nfs/dbraw/zinc/44/14/01/711441401.db2.gz JTOCTVKCRUHESU-QWRGUYRKSA-N 1 2 242.319 -0.310 20 0 BBADLO CCC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001074118583 711441400 /nfs/dbraw/zinc/44/14/00/711441400.db2.gz JTOCTVKCRUHESU-QWRGUYRKSA-N 1 2 242.319 -0.310 20 0 BBADLO CCC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001074118584 711441406 /nfs/dbraw/zinc/44/14/06/711441406.db2.gz JTOCTVKCRUHESU-WDEREUQCSA-N 1 2 242.319 -0.310 20 0 BBADLO CCC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001074118584 711441405 /nfs/dbraw/zinc/44/14/05/711441405.db2.gz JTOCTVKCRUHESU-WDEREUQCSA-N 1 2 242.319 -0.310 20 0 BBADLO CC[N@H+]1CCO[C@@H]2CCN(C(=O)COC)C[C@H]21 ZINC001074124945 711441181 /nfs/dbraw/zinc/44/11/81/711441181.db2.gz TUPAJLMLACOTQI-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)COC)C[C@H]21 ZINC001074124945 711441179 /nfs/dbraw/zinc/44/11/79/711441179.db2.gz TUPAJLMLACOTQI-GHMZBOCLSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@H+]1CCO[C@H]2CCN(C(=O)COC)C[C@H]21 ZINC001074124946 711442037 /nfs/dbraw/zinc/44/20/37/711442037.db2.gz TUPAJLMLACOTQI-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)COC)C[C@H]21 ZINC001074124946 711442036 /nfs/dbraw/zinc/44/20/36/711442036.db2.gz TUPAJLMLACOTQI-MNOVXSKESA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@H+]1CCO[C@H]2CCN(C(=O)COC)C[C@@H]21 ZINC001074124947 711442025 /nfs/dbraw/zinc/44/20/25/711442025.db2.gz TUPAJLMLACOTQI-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)COC)C[C@@H]21 ZINC001074124947 711442024 /nfs/dbraw/zinc/44/20/24/711442024.db2.gz TUPAJLMLACOTQI-QWRGUYRKSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@H+]1CCO[C@@H]2CCN(C(=O)COC)C[C@@H]21 ZINC001074124948 711441538 /nfs/dbraw/zinc/44/15/38/711441538.db2.gz TUPAJLMLACOTQI-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)COC)C[C@@H]21 ZINC001074124948 711441536 /nfs/dbraw/zinc/44/15/36/711441536.db2.gz TUPAJLMLACOTQI-WDEREUQCSA-N 1 2 242.319 -0.046 20 0 BBADLO CC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001074127913 711442014 /nfs/dbraw/zinc/44/20/14/711442014.db2.gz JSYYXEOCPPMZNJ-GHMZBOCLSA-N 1 2 228.292 -0.700 20 0 BBADLO CC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001074127913 711442012 /nfs/dbraw/zinc/44/20/12/711442012.db2.gz JSYYXEOCPPMZNJ-GHMZBOCLSA-N 1 2 228.292 -0.700 20 0 BBADLO CC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001074127914 711441806 /nfs/dbraw/zinc/44/18/06/711441806.db2.gz JSYYXEOCPPMZNJ-MNOVXSKESA-N 1 2 228.292 -0.700 20 0 BBADLO CC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001074127914 711441802 /nfs/dbraw/zinc/44/18/02/711441802.db2.gz JSYYXEOCPPMZNJ-MNOVXSKESA-N 1 2 228.292 -0.700 20 0 BBADLO CC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001074127915 711442132 /nfs/dbraw/zinc/44/21/32/711442132.db2.gz JSYYXEOCPPMZNJ-QWRGUYRKSA-N 1 2 228.292 -0.700 20 0 BBADLO CC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001074127915 711442130 /nfs/dbraw/zinc/44/21/30/711442130.db2.gz JSYYXEOCPPMZNJ-QWRGUYRKSA-N 1 2 228.292 -0.700 20 0 BBADLO CC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001074127916 711441530 /nfs/dbraw/zinc/44/15/30/711441530.db2.gz JSYYXEOCPPMZNJ-WDEREUQCSA-N 1 2 228.292 -0.700 20 0 BBADLO CC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001074127916 711441527 /nfs/dbraw/zinc/44/15/27/711441527.db2.gz JSYYXEOCPPMZNJ-WDEREUQCSA-N 1 2 228.292 -0.700 20 0 BBADLO CC(=O)NCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001075232794 711446199 /nfs/dbraw/zinc/44/61/99/711446199.db2.gz UXFCDONCSTWQKQ-QMMMGPOBSA-N 1 2 238.291 -0.017 20 0 BBADLO CC(=O)NCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001075241901 711445914 /nfs/dbraw/zinc/44/59/14/711445914.db2.gz ZWCYAIPDYAGTOG-QMMMGPOBSA-N 1 2 238.291 -0.017 20 0 BBADLO CC(=O)NCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001075246438 710913905 /nfs/dbraw/zinc/91/39/05/710913905.db2.gz YCSXNCZYLCQRBV-VIFPVBQESA-N 1 2 238.291 -0.086 20 0 BBADLO CC(=O)N1CC[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001075466288 711628886 /nfs/dbraw/zinc/62/88/86/711628886.db2.gz KWRHIHNVIBZGIE-CMPLNLGQSA-N 1 2 249.318 -0.132 20 0 BBADLO CC(=O)N1CC[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001075466288 711628885 /nfs/dbraw/zinc/62/88/85/711628885.db2.gz KWRHIHNVIBZGIE-CMPLNLGQSA-N 1 2 249.318 -0.132 20 0 BBADLO CC(=O)N1CC[C@H]2C[N@H+](Cc3cnn(C)n3)C[C@H]21 ZINC001075466448 711628562 /nfs/dbraw/zinc/62/85/62/711628562.db2.gz RSKHXAUHECOKEO-CMPLNLGQSA-N 1 2 249.318 -0.132 20 0 BBADLO CC(=O)N1CC[C@H]2C[N@@H+](Cc3cnn(C)n3)C[C@H]21 ZINC001075466448 711628559 /nfs/dbraw/zinc/62/85/59/711628559.db2.gz RSKHXAUHECOKEO-CMPLNLGQSA-N 1 2 249.318 -0.132 20 0 BBADLO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C(F)F)[C@@H]2C1 ZINC001075471912 711643957 /nfs/dbraw/zinc/64/39/57/711643957.db2.gz CMCNNAPCJPRYSG-NKWVEPMBSA-N 1 2 247.245 -0.731 20 0 BBADLO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C(F)F)[C@@H]2C1 ZINC001075471912 711643956 /nfs/dbraw/zinc/64/39/56/711643956.db2.gz CMCNNAPCJPRYSG-NKWVEPMBSA-N 1 2 247.245 -0.731 20 0 BBADLO CC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001076649992 711806597 /nfs/dbraw/zinc/80/65/97/711806597.db2.gz KEONAXZBCJSIRF-GHMZBOCLSA-N 1 2 238.291 -0.899 20 0 BBADLO CC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001076649992 711806596 /nfs/dbraw/zinc/80/65/96/711806596.db2.gz KEONAXZBCJSIRF-GHMZBOCLSA-N 1 2 238.291 -0.899 20 0 BBADLO CC(=O)N[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1O ZINC001076650032 711807214 /nfs/dbraw/zinc/80/72/14/711807214.db2.gz MAMZLUMNVJSQSQ-GHMZBOCLSA-N 1 2 238.291 -0.899 20 0 BBADLO CC(=O)N[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1O ZINC001076650032 711807213 /nfs/dbraw/zinc/80/72/13/711807213.db2.gz MAMZLUMNVJSQSQ-GHMZBOCLSA-N 1 2 238.291 -0.899 20 0 BBADLO CC(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1O ZINC001076650170 711806920 /nfs/dbraw/zinc/80/69/20/711806920.db2.gz SVUXEFDVYFQJDZ-GHMZBOCLSA-N 1 2 238.291 -0.899 20 0 BBADLO CC(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1O ZINC001076650170 711806919 /nfs/dbraw/zinc/80/69/19/711806919.db2.gz SVUXEFDVYFQJDZ-GHMZBOCLSA-N 1 2 238.291 -0.899 20 0 BBADLO CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@H]1O ZINC001076650188 711806889 /nfs/dbraw/zinc/80/68/89/711806889.db2.gz UCXFHUVWUNHLGM-GHMZBOCLSA-N 1 2 239.275 -0.336 20 0 BBADLO CC(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@H]1O ZINC001076650188 711806888 /nfs/dbraw/zinc/80/68/88/711806888.db2.gz UCXFHUVWUNHLGM-GHMZBOCLSA-N 1 2 239.275 -0.336 20 0 BBADLO CCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001076653301 711807390 /nfs/dbraw/zinc/80/73/90/711807390.db2.gz IJCYAKMINDKLAP-HTQZYQBOSA-N 1 2 204.245 -0.473 20 0 BBADLO CCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001076653301 711807389 /nfs/dbraw/zinc/80/73/89/711807389.db2.gz IJCYAKMINDKLAP-HTQZYQBOSA-N 1 2 204.245 -0.473 20 0 BBADLO CC(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1O ZINC001076655298 711806623 /nfs/dbraw/zinc/80/66/23/711806623.db2.gz JBXHZTPXQJDGTH-GHMZBOCLSA-N 1 2 239.275 -0.336 20 0 BBADLO CC(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1O ZINC001076655298 711806622 /nfs/dbraw/zinc/80/66/22/711806622.db2.gz JBXHZTPXQJDGTH-GHMZBOCLSA-N 1 2 239.275 -0.336 20 0 BBADLO CC(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H]1O ZINC001076656639 711807148 /nfs/dbraw/zinc/80/71/48/711807148.db2.gz COKLKCZKCZJFMM-GHMZBOCLSA-N 1 2 239.275 -0.336 20 0 BBADLO CC(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H]1O ZINC001076656639 711807147 /nfs/dbraw/zinc/80/71/47/711807147.db2.gz COKLKCZKCZJFMM-GHMZBOCLSA-N 1 2 239.275 -0.336 20 0 BBADLO CC(=O)N[C@@H]1C[N@@H+](Cc2ccns2)C[C@H]1O ZINC001076656718 711807230 /nfs/dbraw/zinc/80/72/30/711807230.db2.gz FGCPEPVYGIQJFG-NXEZZACHSA-N 1 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