smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[N@H+]1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO ZINC000001550969 342702869 /nfs/dbraw/zinc/70/28/69/342702869.db2.gz UQRORFVVSGFNRO-JXUBOQSCSA-N 1 1 219.281 -1.454 10 0 BAAEMO CCCC[N@H+]1C[C@@H](O)[C@H](O)[C@@H](O)[C@H]1CO ZINC000001553078 352632284 /nfs/dbraw/zinc/63/22/84/352632284.db2.gz UQRORFVVSGFNRO-IMSYWVGJSA-N 1 1 219.281 -1.454 10 0 BAAEMO NC(=[NH2+])NCCC[C@H](N)C(=O)NCC(N)=O ZINC000002560958 181190157 /nfs/dbraw/zinc/19/01/57/181190157.db2.gz GNBSXHBKCDJFTP-YFKPBYRVSA-N 1 1 230.272 -2.822 10 0 BAAEMO CCCC[N@H+]1C[C@@H](O)[C@H](O)[C@H](O)[C@@H]1CO ZINC000002562349 388344771 /nfs/dbraw/zinc/34/47/71/388344771.db2.gz UQRORFVVSGFNRO-JLIMGVALSA-N 1 1 219.281 -1.454 10 0 BAAEMO CCCC[N@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO ZINC000003957104 168835933 /nfs/dbraw/zinc/83/59/33/168835933.db2.gz UQRORFVVSGFNRO-AXTSPUMRSA-N 1 1 219.281 -1.454 10 0 in-vitro BAAEMO NC(=[NH2+])N[C@@H]1[C@@H](O)[C@H](N)[C@@H](O)[C@H](O)[C@H]1O ZINC000004095622 560193445 /nfs/dbraw/zinc/19/34/45/560193445.db2.gz FXXWDCNDGPHMNA-FUHDGFEASA-N 1 1 220.229 -4.377 10 0 in-vitro BAAEMO OCC[N@H+]1C[C@@H](O)[C@@H](O)[C@H](O)[C@H]1CO ZINC000004165583 183077180 /nfs/dbraw/zinc/07/71/80/183077180.db2.gz IBAQFPQHRJAVAV-WCTZXXKLSA-N 1 1 207.226 -3.262 10 0 in-man BAAEMO OCC[N@H+]1C[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1CO ZINC000004165606 183077714 /nfs/dbraw/zinc/07/77/14/183077714.db2.gz IBAQFPQHRJAVAV-OOJXKGFFSA-N 1 1 207.226 -3.262 10 0 in-man BAAEMO CCCC[N@H+]1C[C@H](O)[C@H](O)[C@H](O)[C@@H]1CO ZINC000008627075 491087229 /nfs/dbraw/zinc/08/72/29/491087229.db2.gz UQRORFVVSGFNRO-QEYWKRMJSA-N 1 1 219.281 -1.454 10 0 BAAEMO CCCC[N@H+]1C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1CO ZINC000011681339 384293197 /nfs/dbraw/zinc/29/31/97/384293197.db2.gz UQRORFVVSGFNRO-QCLAVDOMSA-N 1 1 219.281 -1.454 10 0 in-vitro BAAEMO CCCC[N@H+]1C[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1CO ZINC000011681341 386991998 /nfs/dbraw/zinc/99/19/98/386991998.db2.gz UQRORFVVSGFNRO-AATLWQCWSA-N 1 1 219.281 -1.454 10 0 in-vitro BAAEMO CC(=O)N[C@H]1[C@H]([NH3+])O[C@H](CO)[C@@H](O)[C@H]1O ZINC000013542504 362614098 /nfs/dbraw/zinc/61/40/98/362614098.db2.gz MCGXOCXFFNKASF-UIAUGNHASA-N 1 1 220.225 -3.111 10 0 BAAEMO CC(=O)N[C@H]1[C@H]([NH3+])O[C@@H](CO)[C@@H](O)[C@@H]1O ZINC000013542505 362614425 /nfs/dbraw/zinc/61/44/25/362614425.db2.gz MCGXOCXFFNKASF-SLBCVNJHSA-N 1 1 220.225 -3.111 10 0 BAAEMO CC(=O)N[C@H]1[C@H]([NH3+])O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000013542506 362614373 /nfs/dbraw/zinc/61/43/73/362614373.db2.gz MCGXOCXFFNKASF-FMGWEMOISA-N 1 1 220.225 -3.111 10 0 BAAEMO CCCC[N@H+]1C[C@@H](O)[C@@H](O)[C@H](O)[C@H]1CO ZINC000013545227 384364549 /nfs/dbraw/zinc/36/45/49/384364549.db2.gz UQRORFVVSGFNRO-ZYUZMQFOSA-N 1 1 219.281 -1.454 10 0 BAAEMO CCC[N@H+]1C[C@@H](O)[C@@H](O)[C@H](O)[C@H]1CO ZINC000013545267 169210366 /nfs/dbraw/zinc/21/03/66/169210366.db2.gz DUKKBXHYYSHSAI-FNCVBFRFSA-N 1 1 205.254 -1.844 10 0 BAAEMO CC(=O)N[C@H]1C[N@H+]2CC[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O ZINC000013547934 355854939 /nfs/dbraw/zinc/85/49/39/355854939.db2.gz IHKWXDCSAKJQKM-SRQGCSHVSA-N 1 1 230.264 -2.338 10 0 in-vitro BAAEMO OCC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)C[N@H+]1CCO ZINC000013840506 183094428 /nfs/dbraw/zinc/09/44/28/183094428.db2.gz SDSTWOAKIQDIPW-BZNPZCIMSA-N 1 1 221.253 -2.872 10 0 BAAEMO OCC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)C[N@H+]1CCO ZINC000013840508 183098270 /nfs/dbraw/zinc/09/82/70/183098270.db2.gz SDSTWOAKIQDIPW-RBXMUDONSA-N 1 1 221.253 -2.872 10 0 BAAEMO C[C@H](O)CNCC[C@@H]1[NH2+]C[C@H](O)[C@@H]1O ZINC000013859307 387596451 /nfs/dbraw/zinc/59/64/51/387596451.db2.gz QODUHZPNZZCCNF-XSPKLOCKSA-N 1 1 204.270 -1.960 10 0 BAAEMO CC(=O)N[C@@H]1[C@H]([NH3+])O[C@@H](CO)[C@@H](O)[C@@H]1O ZINC000015221203 367897576 /nfs/dbraw/zinc/89/75/76/367897576.db2.gz MCGXOCXFFNKASF-TVNFTVLESA-N 1 1 220.225 -3.111 10 0 BAAEMO COCCNC(=O)C[N@@H+](C)CCC(N)=O ZINC000016386667 174320297 /nfs/dbraw/zinc/32/02/97/174320297.db2.gz DPDCMELNCNGQKD-UHFFFAOYSA-N 1 1 217.269 -1.444 10 0 BAAEMO NC(=O)NC(=O)CN1CCC(C[NH3+])CC1 ZINC000019843227 181365530 /nfs/dbraw/zinc/36/55/30/181365530.db2.gz JAQCKTFSEVUBGE-UHFFFAOYSA-N 1 1 214.269 -1.148 10 0 BAAEMO CCNC(=O)C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000020038489 170066166 /nfs/dbraw/zinc/06/61/66/170066166.db2.gz ZZQKQONYKKEBDO-SSDOTTSWSA-N 1 1 220.294 -1.101 10 0 BAAEMO CCNC(=O)C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000020038493 170065548 /nfs/dbraw/zinc/06/55/48/170065548.db2.gz ZZQKQONYKKEBDO-ZETCQYMHSA-N 1 1 220.294 -1.101 10 0 BAAEMO CN(C)C(=O)C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000020038505 172369967 /nfs/dbraw/zinc/36/99/67/172369967.db2.gz SNWWHANYYJJRBT-SSDOTTSWSA-N 1 1 220.294 -1.149 10 0 BAAEMO CN(C)C(=O)C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000020038508 172371585 /nfs/dbraw/zinc/37/15/85/172371585.db2.gz SNWWHANYYJJRBT-ZETCQYMHSA-N 1 1 220.294 -1.149 10 0 BAAEMO NC(=O)NC(=O)C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000020038518 181255727 /nfs/dbraw/zinc/25/57/27/181255727.db2.gz CFZTVIXSVPQRJV-RXMQYKEDSA-N 1 1 235.265 -2.042 10 0 BAAEMO NC(=O)NC(=O)C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000020038521 181255650 /nfs/dbraw/zinc/25/56/50/181255650.db2.gz CFZTVIXSVPQRJV-YFKPBYRVSA-N 1 1 235.265 -2.042 10 0 BAAEMO CNC(=O)C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000020038599 173278255 /nfs/dbraw/zinc/27/82/55/173278255.db2.gz BVMSWZASKAWOHG-ZCFIWIBFSA-N 1 1 206.267 -1.491 10 0 BAAEMO CNC(=O)C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000020038602 173278698 /nfs/dbraw/zinc/27/86/98/173278698.db2.gz BVMSWZASKAWOHG-LURJTMIESA-N 1 1 206.267 -1.491 10 0 BAAEMO NC(=O)C[NH2+]CC(=O)N1CCOCC1 ZINC000020056916 181235384 /nfs/dbraw/zinc/23/53/84/181235384.db2.gz DMIZHNDCFVMLFX-UHFFFAOYSA-N 1 1 201.226 -2.080 10 0 BAAEMO CN1CCN(C(=O)C[NH2+]CC(N)=O)CC1 ZINC000020056925 173067253 /nfs/dbraw/zinc/06/72/53/173067253.db2.gz RTQGRVKFSZPYMS-UHFFFAOYSA-N 1 1 214.269 -2.165 10 0 BAAEMO NC(=[NH2+])CCN1CCN(CCO)CC1 ZINC000020272777 181186253 /nfs/dbraw/zinc/18/62/53/181186253.db2.gz AEXQXMYSUHXYND-UHFFFAOYSA-N 1 1 200.286 -1.078 10 0 BAAEMO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000020307381 173294985 /nfs/dbraw/zinc/29/49/85/173294985.db2.gz GZPRSEJABGMXTB-RNFRBKRXSA-N 1 1 220.294 -1.102 10 0 BAAEMO CNC(=O)[C@H](C)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000020307383 173303482 /nfs/dbraw/zinc/30/34/82/173303482.db2.gz GZPRSEJABGMXTB-NKWVEPMBSA-N 1 1 220.294 -1.102 10 0 BAAEMO CNC(=O)[C@@H](C)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000020307384 173295787 /nfs/dbraw/zinc/29/57/87/173295787.db2.gz GZPRSEJABGMXTB-RQJHMYQMSA-N 1 1 220.294 -1.102 10 0 BAAEMO CNC(=O)[C@H](C)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000020307385 173303875 /nfs/dbraw/zinc/30/38/75/173303875.db2.gz GZPRSEJABGMXTB-BQBZGAKWSA-N 1 1 220.294 -1.102 10 0 BAAEMO CCCC[N@H+]1C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1CO ZINC000022053713 384727645 /nfs/dbraw/zinc/72/76/45/384727645.db2.gz UQRORFVVSGFNRO-SGIHWFKDSA-N 1 1 219.281 -1.454 10 0 in-vitro BAAEMO O[C@@H]1C[N@H+]2C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1O ZINC000022057762 183249651 /nfs/dbraw/zinc/24/96/51/183249651.db2.gz KSWHMQGAWBUNLD-RDULZCEMSA-N 1 1 205.210 -3.511 10 0 in-vitro BAAEMO NC(=O)CCN1CC[NH+](CCO)CC1 ZINC000022945139 181224584 /nfs/dbraw/zinc/22/45/84/181224584.db2.gz PUKVDWNTNWSDNV-UHFFFAOYSA-N 1 1 201.270 -1.528 10 0 BAAEMO CC(=O)N[C@@H]1[C@H]([NH3+])C=C(C(=O)[O-])C[C@@H]1[NH3+] ZINC000027106347 188010478 /nfs/dbraw/zinc/01/04/78/188010478.db2.gz MVAHQUAOXTZMLS-GJMOJQLCSA-N 1 1 213.237 -1.440 10 0 BAAEMO O[C@H]1[C@@H](O)C[N@H+]2C[C@H](O)[C@H](O)[C@H](O)[C@H]12 ZINC000033689809 183245257 /nfs/dbraw/zinc/24/52/57/183245257.db2.gz KSWHMQGAWBUNLD-KVHXAGQOSA-N 1 1 205.210 -3.511 10 0 BAAEMO O[C@@H]1C[N@H+]2C[C@H](O)[C@H](O)[C@H](O)[C@@H]2[C@H]1O ZINC000033689810 183245628 /nfs/dbraw/zinc/24/56/28/183245628.db2.gz KSWHMQGAWBUNLD-ZWDHIVPGSA-N 1 1 205.210 -3.511 10 0 BAAEMO O[C@H]1C[N@H+]2C[C@H](O)[C@H](O)[C@H](O)[C@@H]2[C@@H]1O ZINC000033689811 183245191 /nfs/dbraw/zinc/24/51/91/183245191.db2.gz KSWHMQGAWBUNLD-FWRBPFIFSA-N 1 1 205.210 -3.511 10 0 BAAEMO O[C@@H]1C[N@H+]2C[C@H](O)[C@H](O)[C@H](O)[C@@H]2[C@@H]1O ZINC000033689813 183245726 /nfs/dbraw/zinc/24/57/26/183245726.db2.gz KSWHMQGAWBUNLD-DOZBHNBQSA-N 1 1 205.210 -3.511 10 0 BAAEMO NC(=[NH2+])NC(=O)c1nc(F)c(N)nc1N ZINC000033753697 181190315 /nfs/dbraw/zinc/19/03/15/181190315.db2.gz CXZYKVWMHCBUCM-UHFFFAOYSA-N 1 1 213.176 -1.597 10 0 BAAEMO OC[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@H](O)[C@@H](O)C[N@@H+]12 ZINC000033994132 358450347 /nfs/dbraw/zinc/45/03/47/358450347.db2.gz AXTGOJVKRHFYBT-XAZAIFFQSA-N 1 1 205.210 -3.511 10 0 in-vitro BAAEMO CC(=O)NCCC(=O)N1CC[NH+](CCO)CC1 ZINC000035187842 188111772 /nfs/dbraw/zinc/11/17/72/188111772.db2.gz DIMUODRFELHYMT-UHFFFAOYSA-N 1 1 243.307 -1.351 10 0 BAAEMO CCNC1=[NH+][C@@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1 ZINC000035653217 343301108 /nfs/dbraw/zinc/30/11/08/343301108.db2.gz PPAIMZHKIXDJRN-OZRXBMAMSA-N 1 1 248.304 -1.494 10 0 BAAEMO C[C@H](NC(=O)[C@@H]1CSC[NH2+]1)C(N)=O ZINC000035795378 387382081 /nfs/dbraw/zinc/38/20/81/387382081.db2.gz XQLFGCWPGFHXND-WHFBIAKZSA-N 1 1 203.267 -1.361 10 0 BAAEMO C[C@H](NC(=O)[C@H]1CSC[NH2+]1)C(N)=O ZINC000035795386 383876033 /nfs/dbraw/zinc/87/60/33/383876033.db2.gz XQLFGCWPGFHXND-CRCLSJGQSA-N 1 1 203.267 -1.361 10 0 BAAEMO O[C@H]1[C@@H](O)C[N@H+]2C[C@H](O)[C@@H](O)[C@H](O)[C@H]12 ZINC000036476489 368858128 /nfs/dbraw/zinc/85/81/28/368858128.db2.gz KSWHMQGAWBUNLD-YKOWBEQASA-N 1 1 205.210 -3.511 10 0 BAAEMO CCCC[N@H+]1C[C@H](O)[C@H](O)[C@H](O)[C@H]1CO ZINC000036533584 368323878 /nfs/dbraw/zinc/32/38/78/368323878.db2.gz UQRORFVVSGFNRO-RGOKHQFPSA-N 1 1 219.281 -1.454 10 0 BAAEMO NS(=O)(=O)CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000036745832 181524276 /nfs/dbraw/zinc/52/42/76/181524276.db2.gz FGLZTLMSZFAAMH-YFKPBYRVSA-N 1 1 239.322 -1.946 10 0 BAAEMO NC(=O)CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000036747442 181225720 /nfs/dbraw/zinc/22/57/20/181225720.db2.gz HYTAHBFBKRTWJB-RXMQYKEDSA-N 1 1 203.267 -1.360 10 0 BAAEMO NC(=O)CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000036747443 181223900 /nfs/dbraw/zinc/22/39/00/181223900.db2.gz HYTAHBFBKRTWJB-YFKPBYRVSA-N 1 1 203.267 -1.360 10 0 BAAEMO NC(=O)NC(=O)CCN1CCC([NH3+])CC1 ZINC000036754355 181252521 /nfs/dbraw/zinc/25/25/21/181252521.db2.gz GZKSYZSJWACEFQ-UHFFFAOYSA-N 1 1 214.269 -1.006 10 0 BAAEMO CN(C)C(=O)C[NH2+][C@H]1CC(=O)N(C)C1=O ZINC000036850778 172371867 /nfs/dbraw/zinc/37/18/67/172371867.db2.gz LFNFICUXDYHKQW-LURJTMIESA-N 1 1 213.237 -1.579 10 0 BAAEMO CCNC(=O)C[NH2+][C@@H]1CC(=O)N(C)C1=O ZINC000036850826 170065771 /nfs/dbraw/zinc/06/57/71/170065771.db2.gz HDOJKMAJKIKWFQ-ZCFIWIBFSA-N 1 1 213.237 -1.531 10 0 BAAEMO CC(C)NC(=O)C[NH2+][C@@H]1CC(=O)N(C)C1=O ZINC000036850828 167059263 /nfs/dbraw/zinc/05/92/63/167059263.db2.gz XZTGBENEMRKUAQ-SSDOTTSWSA-N 1 1 227.264 -1.142 10 0 BAAEMO CC(C)N1C(=O)C[C@H]([NH2+]CC(N)=O)C1=O ZINC000036850911 188104155 /nfs/dbraw/zinc/10/41/55/188104155.db2.gz YRTARFKEEBJVJE-LURJTMIESA-N 1 1 213.237 -1.403 10 0 BAAEMO CNC(=O)C[NH2+][C@H]1CC(=O)N(C(C)C)C1=O ZINC000036851544 173278519 /nfs/dbraw/zinc/27/85/19/173278519.db2.gz NYYVKBHZDHWHGZ-ZETCQYMHSA-N 1 1 227.264 -1.142 10 0 BAAEMO CNC(=O)C[NH2+][C@@H]1CC(=O)N(C2CC2)C1=O ZINC000036851546 173277850 /nfs/dbraw/zinc/27/78/50/173277850.db2.gz WKROCNVLJIJNNR-SSDOTTSWSA-N 1 1 225.248 -1.388 10 0 BAAEMO CCN1C(=O)C[C@H]([NH2+][C@@H](C)C(N)=O)C1=O ZINC000036851695 169946705 /nfs/dbraw/zinc/94/67/05/169946705.db2.gz ZTGHVAMXIKDOFV-WDSKDSINSA-N 1 1 213.237 -1.403 10 0 BAAEMO NS(=O)(=O)CC[NH2+][C@H]1CC(=O)NC1=O ZINC000036853680 181524860 /nfs/dbraw/zinc/52/48/60/181524860.db2.gz BUOTWQYYBKBZED-BYPYZUCNSA-N 1 1 221.238 -2.720 10 0 BAAEMO CC(C)NC(=O)C[NH2+][C@@H]1CC(=O)NC1=O ZINC000036853688 167059452 /nfs/dbraw/zinc/05/94/52/167059452.db2.gz YSDSOSBWMPSRBS-ZCFIWIBFSA-N 1 1 213.237 -1.484 10 0 BAAEMO O=C(C[NH2+][C@@H]1CC(=O)NC1=O)NC1CC1 ZINC000036853689 182775299 /nfs/dbraw/zinc/77/52/99/182775299.db2.gz UPTQLMHZPUHHNK-ZCFIWIBFSA-N 1 1 211.221 -1.730 10 0 BAAEMO CN1CCCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000036907022 173011206 /nfs/dbraw/zinc/01/12/06/173011206.db2.gz MUNKKDANUMZAEI-UWVGGRQHSA-N 1 1 227.308 -1.127 10 0 BAAEMO CN1CCCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000036907023 173014584 /nfs/dbraw/zinc/01/45/84/173014584.db2.gz MUNKKDANUMZAEI-VHSXEESVSA-N 1 1 227.308 -1.127 10 0 BAAEMO CNC(=O)CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000037224989 173276167 /nfs/dbraw/zinc/27/61/67/173276167.db2.gz YAPKPNDPIQCWLN-YFKPBYRVSA-N 1 1 203.267 -1.489 10 0 BAAEMO CNC(=O)CNC(=O)[C@H]1CSC[NH2+]1 ZINC000037224990 173276627 /nfs/dbraw/zinc/27/66/27/173276627.db2.gz YAPKPNDPIQCWLN-RXMQYKEDSA-N 1 1 203.267 -1.489 10 0 BAAEMO CN1CCCN(C(=O)C(=O)NCC[NH3+])CC1 ZINC000037243836 173009907 /nfs/dbraw/zinc/00/99/07/173009907.db2.gz VYPWBDVEYBCPQE-UHFFFAOYSA-N 1 1 228.296 -1.775 10 0 BAAEMO CNC(=O)C[N@@H+](C)C[C@H](O)Cn1cc(N)cn1 ZINC000037269558 173267604 /nfs/dbraw/zinc/26/76/04/173267604.db2.gz LZIAOMRKHZXXKA-VIFPVBQESA-N 1 1 241.295 -1.496 10 0 BAAEMO CNC(=O)C[N@@H+](C)C[C@@H](O)Cn1cc(N)cn1 ZINC000037269560 173267953 /nfs/dbraw/zinc/26/79/53/173267953.db2.gz LZIAOMRKHZXXKA-SECBINFHSA-N 1 1 241.295 -1.496 10 0 BAAEMO CNC(=O)CN(C)CCC(=O)N(C)CCC[NH3+] ZINC000037270071 173266804 /nfs/dbraw/zinc/26/68/04/173266804.db2.gz JNOJSQJYGMFGQX-UHFFFAOYSA-N 1 1 244.339 -1.139 10 0 BAAEMO CNC(=O)CN(C)C(=O)[C@@H]1CSC[NH2+]1 ZINC000037271589 173265657 /nfs/dbraw/zinc/26/56/57/173265657.db2.gz UFFSSONZZNGVQM-LURJTMIESA-N 1 1 217.294 -1.147 10 0 BAAEMO CNC(=O)CN(C)C(=O)[C@H]1CSC[NH2+]1 ZINC000037271591 173266168 /nfs/dbraw/zinc/26/61/68/173266168.db2.gz UFFSSONZZNGVQM-ZCFIWIBFSA-N 1 1 217.294 -1.147 10 0 BAAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCOCC1 ZINC000037481577 181241718 /nfs/dbraw/zinc/24/17/18/181241718.db2.gz WYDLJNHZPMZUKW-ZCFIWIBFSA-N 1 1 201.226 -1.952 10 0 BAAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CCOCC1 ZINC000037481578 181244329 /nfs/dbraw/zinc/24/43/29/181244329.db2.gz WYDLJNHZPMZUKW-LURJTMIESA-N 1 1 201.226 -1.952 10 0 BAAEMO CN1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000037481599 173071759 /nfs/dbraw/zinc/07/17/59/173071759.db2.gz ACZCULQLCUCMAO-SSDOTTSWSA-N 1 1 214.269 -2.037 10 0 BAAEMO CN1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000037481600 173069621 /nfs/dbraw/zinc/06/96/21/173069621.db2.gz ACZCULQLCUCMAO-ZETCQYMHSA-N 1 1 214.269 -2.037 10 0 BAAEMO C[C@@H]1CN(C(=O)[C@H]([NH3+])CC(N)=O)C[C@H](C)O1 ZINC000037481640 177223851 /nfs/dbraw/zinc/22/38/51/177223851.db2.gz BYASYLPWTBZNSY-GJMOJQLCSA-N 1 1 229.280 -1.175 10 0 BAAEMO C[C@@H]1CN(C(=O)[C@H]([NH3+])CC(N)=O)C[C@@H](C)O1 ZINC000037481642 176257788 /nfs/dbraw/zinc/25/77/88/176257788.db2.gz BYASYLPWTBZNSY-BWZBUEFSSA-N 1 1 229.280 -1.175 10 0 BAAEMO C[C@@H]1CN(C(=O)[C@H]([NH3+])CC(N)=O)CCO1 ZINC000037481660 176257802 /nfs/dbraw/zinc/25/78/02/176257802.db2.gz BQHDCPFBLGGFET-RNFRBKRXSA-N 1 1 215.253 -1.564 10 0 BAAEMO C[C@H]1CN(C(=O)[C@H]([NH3+])CC(N)=O)CCO1 ZINC000037481661 177224090 /nfs/dbraw/zinc/22/40/90/177224090.db2.gz BQHDCPFBLGGFET-NKWVEPMBSA-N 1 1 215.253 -1.564 10 0 BAAEMO C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(N)=O)CCO1 ZINC000037481662 176254232 /nfs/dbraw/zinc/25/42/32/176254232.db2.gz BQHDCPFBLGGFET-RQJHMYQMSA-N 1 1 215.253 -1.564 10 0 BAAEMO C[C@H]1CN(C(=O)[C@@H]([NH3+])CC(N)=O)CCO1 ZINC000037481663 177222249 /nfs/dbraw/zinc/22/22/49/177222249.db2.gz BQHDCPFBLGGFET-BQBZGAKWSA-N 1 1 215.253 -1.564 10 0 BAAEMO NC(=O)C[C@@H]([NH3+])C(=O)NC1CCC(O)CC1 ZINC000037481676 181241281 /nfs/dbraw/zinc/24/12/81/181241281.db2.gz FYNVKHMCZJQZRD-KAVNDROISA-N 1 1 229.280 -1.391 10 0 BAAEMO NC(=O)C[C@H]([NH3+])C(=O)NC1CCC(O)CC1 ZINC000037481677 181243975 /nfs/dbraw/zinc/24/39/75/181243975.db2.gz FYNVKHMCZJQZRD-RRQHEKLDSA-N 1 1 229.280 -1.391 10 0 BAAEMO NC(=O)C[C@@H]([NH3+])C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000037481721 181241915 /nfs/dbraw/zinc/24/19/15/181241915.db2.gz OEAUOUBGAGDZBG-PHDIDXHHSA-N 1 1 249.292 -2.508 10 0 BAAEMO NC(=O)C[C@@H]([NH3+])C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000037481722 181242011 /nfs/dbraw/zinc/24/20/11/181242011.db2.gz OEAUOUBGAGDZBG-NTSWFWBYSA-N 1 1 249.292 -2.508 10 0 BAAEMO NC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000037481723 181244912 /nfs/dbraw/zinc/24/49/12/181244912.db2.gz OEAUOUBGAGDZBG-RITPCOANSA-N 1 1 249.292 -2.508 10 0 BAAEMO NC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000037481724 181245034 /nfs/dbraw/zinc/24/50/34/181245034.db2.gz OEAUOUBGAGDZBG-WDSKDSINSA-N 1 1 249.292 -2.508 10 0 BAAEMO NC(=O)C[C@@H]([NH3+])C(=O)NCc1ccccn1 ZINC000037481788 181242116 /nfs/dbraw/zinc/24/21/16/181242116.db2.gz IUVZQADPKNPNOI-MRVPVSSYSA-N 1 1 222.248 -1.100 10 0 BAAEMO NC(=O)C[C@H]([NH3+])C(=O)NCc1ccccn1 ZINC000037481789 181244752 /nfs/dbraw/zinc/24/47/52/181244752.db2.gz IUVZQADPKNPNOI-QMMMGPOBSA-N 1 1 222.248 -1.100 10 0 BAAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCC(O)CC1 ZINC000037481796 181242031 /nfs/dbraw/zinc/24/20/31/181242031.db2.gz ORSCXDGQKFPLKF-SSDOTTSWSA-N 1 1 215.253 -1.828 10 0 BAAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CCC(O)CC1 ZINC000037481797 181244429 /nfs/dbraw/zinc/24/44/29/181244429.db2.gz ORSCXDGQKFPLKF-ZETCQYMHSA-N 1 1 215.253 -1.828 10 0 BAAEMO CCOCCCNC(=O)[C@H]([NH3+])CC(N)=O ZINC000037481804 170378869 /nfs/dbraw/zinc/37/88/69/170378869.db2.gz SHGRRNMVWJDYFX-SSDOTTSWSA-N 1 1 217.269 -1.268 10 0 BAAEMO CCOCCCNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000037481805 170377653 /nfs/dbraw/zinc/37/76/53/170377653.db2.gz SHGRRNMVWJDYFX-ZETCQYMHSA-N 1 1 217.269 -1.268 10 0 BAAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCNC(=O)C1 ZINC000037481812 181241952 /nfs/dbraw/zinc/24/19/52/181241952.db2.gz PWBKHLPTCHCJEN-RXMQYKEDSA-N 1 1 214.225 -2.853 10 0 BAAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CCNC(=O)C1 ZINC000037481813 181243890 /nfs/dbraw/zinc/24/38/90/181243890.db2.gz PWBKHLPTCHCJEN-YFKPBYRVSA-N 1 1 214.225 -2.853 10 0 BAAEMO NC(=O)C[C@@H]([NH3+])C(=O)NC[C@H]1CCCO1 ZINC000037481817 181241770 /nfs/dbraw/zinc/24/17/70/181241770.db2.gz WRYSEQCCBBMXBE-RNFRBKRXSA-N 1 1 215.253 -1.516 10 0 BAAEMO NC(=O)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCCO1 ZINC000037481818 181241155 /nfs/dbraw/zinc/24/11/55/181241155.db2.gz WRYSEQCCBBMXBE-NKWVEPMBSA-N 1 1 215.253 -1.516 10 0 BAAEMO NC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1CCCO1 ZINC000037481819 181244387 /nfs/dbraw/zinc/24/43/87/181244387.db2.gz WRYSEQCCBBMXBE-RQJHMYQMSA-N 1 1 215.253 -1.516 10 0 BAAEMO NC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1CCCO1 ZINC000037481820 181244190 /nfs/dbraw/zinc/24/41/90/181244190.db2.gz WRYSEQCCBBMXBE-BQBZGAKWSA-N 1 1 215.253 -1.516 10 0 BAAEMO CCN1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000037481827 712648362 /nfs/dbraw/zinc/64/83/62/712648362.db2.gz UDGXSMIXSQYZQJ-MRVPVSSYSA-N 1 1 228.296 -1.647 10 0 BAAEMO CCN1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000037481828 712648263 /nfs/dbraw/zinc/64/82/63/712648263.db2.gz UDGXSMIXSQYZQJ-QMMMGPOBSA-N 1 1 228.296 -1.647 10 0 BAAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C(N)=O ZINC000037481880 181241067 /nfs/dbraw/zinc/24/10/67/181241067.db2.gz YHDLDNPEKOOOHX-PHDIDXHHSA-N 1 1 228.252 -2.335 10 0 BAAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC000037481881 181242112 /nfs/dbraw/zinc/24/21/12/181242112.db2.gz YHDLDNPEKOOOHX-RITPCOANSA-N 1 1 228.252 -2.335 10 0 BAAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@H]1C(N)=O ZINC000037481882 181243896 /nfs/dbraw/zinc/24/38/96/181243896.db2.gz YHDLDNPEKOOOHX-NTSWFWBYSA-N 1 1 228.252 -2.335 10 0 BAAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC000037481883 181244370 /nfs/dbraw/zinc/24/43/70/181244370.db2.gz YHDLDNPEKOOOHX-WDSKDSINSA-N 1 1 228.252 -2.335 10 0 BAAEMO NC(=O)C[C@@H]([NH3+])C(=O)NCc1cccnc1 ZINC000037481885 181241499 /nfs/dbraw/zinc/24/14/99/181241499.db2.gz KSYKNTFKJIQAPM-MRVPVSSYSA-N 1 1 222.248 -1.100 10 0 BAAEMO NC(=O)C[C@H]([NH3+])C(=O)NCc1cccnc1 ZINC000037481886 181245175 /nfs/dbraw/zinc/24/51/75/181245175.db2.gz KSYKNTFKJIQAPM-QMMMGPOBSA-N 1 1 222.248 -1.100 10 0 BAAEMO NC(=O)C[C@@H]([NH3+])C(=O)NCc1ccncc1 ZINC000037481888 181242119 /nfs/dbraw/zinc/24/21/19/181242119.db2.gz ZQUMYOZSRNJQHR-MRVPVSSYSA-N 1 1 222.248 -1.100 10 0 BAAEMO NC(=O)C[C@H]([NH3+])C(=O)NCc1ccncc1 ZINC000037481889 181245482 /nfs/dbraw/zinc/24/54/82/181245482.db2.gz ZQUMYOZSRNJQHR-QMMMGPOBSA-N 1 1 222.248 -1.100 10 0 BAAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCC(CO)CC1 ZINC000037481908 181241334 /nfs/dbraw/zinc/24/13/34/181241334.db2.gz PIPFWQUKRZTQNA-MRVPVSSYSA-N 1 1 229.280 -1.580 10 0 BAAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CCC(CO)CC1 ZINC000037481909 181244204 /nfs/dbraw/zinc/24/42/04/181244204.db2.gz PIPFWQUKRZTQNA-QMMMGPOBSA-N 1 1 229.280 -1.580 10 0 BAAEMO COCCCNC(=O)[C@H]([NH3+])CC(N)=O ZINC000037481911 174244435 /nfs/dbraw/zinc/24/44/35/174244435.db2.gz CYLZRFBCTUIAFK-ZCFIWIBFSA-N 1 1 203.242 -1.658 10 0 BAAEMO COCCCNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000037481912 174243723 /nfs/dbraw/zinc/24/37/23/174243723.db2.gz CYLZRFBCTUIAFK-LURJTMIESA-N 1 1 203.242 -1.658 10 0 BAAEMO [NH3+]CC(=O)NCC(=O)N1CCNCC1 ZINC000037482113 181350848 /nfs/dbraw/zinc/35/08/48/181350848.db2.gz WVGAWMKVBPGJIK-UHFFFAOYSA-N 1 1 200.242 -2.507 10 0 BAAEMO NCC(=O)NCC(=O)N1CCC[NH2+]CC1 ZINC000037482149 181350272 /nfs/dbraw/zinc/35/02/72/181350272.db2.gz ADDLEPMNYRJOBW-UHFFFAOYSA-N 1 1 214.269 -2.117 10 0 BAAEMO C[C@@H]1COCCN1C(=O)[C@H]([NH3+])CC(N)=O ZINC000037482164 176334924 /nfs/dbraw/zinc/33/49/24/176334924.db2.gz RSBBKAIBWBMOKU-RNFRBKRXSA-N 1 1 215.253 -1.564 10 0 BAAEMO C[C@H]1COCCN1C(=O)[C@H]([NH3+])CC(N)=O ZINC000037482165 177289843 /nfs/dbraw/zinc/28/98/43/177289843.db2.gz RSBBKAIBWBMOKU-NKWVEPMBSA-N 1 1 215.253 -1.564 10 0 BAAEMO C[C@@H]1COCCN1C(=O)[C@@H]([NH3+])CC(N)=O ZINC000037482166 176334221 /nfs/dbraw/zinc/33/42/21/176334221.db2.gz RSBBKAIBWBMOKU-RQJHMYQMSA-N 1 1 215.253 -1.564 10 0 BAAEMO C[C@H]1COCCN1C(=O)[C@@H]([NH3+])CC(N)=O ZINC000037482167 177289893 /nfs/dbraw/zinc/28/98/93/177289893.db2.gz RSBBKAIBWBMOKU-BQBZGAKWSA-N 1 1 215.253 -1.564 10 0 BAAEMO CC[C@@H]1CN(C(=O)[C@H]([NH3+])CC(N)=O)CCO1 ZINC000037482213 171068902 /nfs/dbraw/zinc/06/89/02/171068902.db2.gz FRAGKELWNCAVMH-HTQZYQBOSA-N 1 1 229.280 -1.174 10 0 BAAEMO CC[C@H]1CN(C(=O)[C@H]([NH3+])CC(N)=O)CCO1 ZINC000037482214 712648359 /nfs/dbraw/zinc/64/83/59/712648359.db2.gz FRAGKELWNCAVMH-JGVFFNPUSA-N 1 1 229.280 -1.174 10 0 BAAEMO CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(N)=O)CCO1 ZINC000037482215 171066553 /nfs/dbraw/zinc/06/65/53/171066553.db2.gz FRAGKELWNCAVMH-SFYZADRCSA-N 1 1 229.280 -1.174 10 0 BAAEMO CC[C@H]1CN(C(=O)[C@@H]([NH3+])CC(N)=O)CCO1 ZINC000037482216 711730381 /nfs/dbraw/zinc/73/03/81/711730381.db2.gz FRAGKELWNCAVMH-YUMQZZPRSA-N 1 1 229.280 -1.174 10 0 BAAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCCC[C@H]1CO ZINC000037482250 181241999 /nfs/dbraw/zinc/24/19/99/181241999.db2.gz ZOPNIDKRFFYXIN-JGVFFNPUSA-N 1 1 229.280 -1.438 10 0 BAAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1CO ZINC000037482251 181241997 /nfs/dbraw/zinc/24/19/97/181241997.db2.gz ZOPNIDKRFFYXIN-HTQZYQBOSA-N 1 1 229.280 -1.438 10 0 BAAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CCCC[C@H]1CO ZINC000037482252 181244210 /nfs/dbraw/zinc/24/42/10/181244210.db2.gz ZOPNIDKRFFYXIN-YUMQZZPRSA-N 1 1 229.280 -1.438 10 0 BAAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1CO ZINC000037482253 181244142 /nfs/dbraw/zinc/24/41/42/181244142.db2.gz ZOPNIDKRFFYXIN-SFYZADRCSA-N 1 1 229.280 -1.438 10 0 BAAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCS(=O)(=O)CC1 ZINC000037482286 181241715 /nfs/dbraw/zinc/24/17/15/181241715.db2.gz HXKHVQKPTKVFIE-ZCFIWIBFSA-N 1 1 249.292 -2.554 10 0 BAAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CCS(=O)(=O)CC1 ZINC000037482287 181244039 /nfs/dbraw/zinc/24/40/39/181244039.db2.gz HXKHVQKPTKVFIE-LURJTMIESA-N 1 1 249.292 -2.554 10 0 BAAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCC[C@H](CO)C1 ZINC000037482303 181241312 /nfs/dbraw/zinc/24/13/12/181241312.db2.gz ZTGWKSRJTKEEEW-JGVFFNPUSA-N 1 1 229.280 -1.580 10 0 BAAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](CO)C1 ZINC000037482304 181242008 /nfs/dbraw/zinc/24/20/08/181242008.db2.gz ZTGWKSRJTKEEEW-HTQZYQBOSA-N 1 1 229.280 -1.580 10 0 BAAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@H](CO)C1 ZINC000037482305 181244301 /nfs/dbraw/zinc/24/43/01/181244301.db2.gz ZTGWKSRJTKEEEW-YUMQZZPRSA-N 1 1 229.280 -1.580 10 0 BAAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@H](CO)C1 ZINC000037482306 181244024 /nfs/dbraw/zinc/24/40/24/181244024.db2.gz ZTGWKSRJTKEEEW-SFYZADRCSA-N 1 1 229.280 -1.580 10 0 BAAEMO CC1(C)CN(C(=O)[C@H]([NH3+])CC(N)=O)CCO1 ZINC000037482313 712648248 /nfs/dbraw/zinc/64/82/48/712648248.db2.gz NLEBVTYTLXBUJI-SSDOTTSWSA-N 1 1 229.280 -1.174 10 0 BAAEMO CC1(C)CN(C(=O)[C@@H]([NH3+])CC(N)=O)CCO1 ZINC000037482314 712648345 /nfs/dbraw/zinc/64/83/45/712648345.db2.gz NLEBVTYTLXBUJI-ZETCQYMHSA-N 1 1 229.280 -1.174 10 0 BAAEMO NC(=O)C[C@@H]([NH3+])C(=O)NC1CCOCC1 ZINC000037482316 181241448 /nfs/dbraw/zinc/24/14/48/181241448.db2.gz RRLFWCLTRWMFHF-SSDOTTSWSA-N 1 1 215.253 -1.516 10 0 BAAEMO NC(=O)C[C@H]([NH3+])C(=O)NC1CCOCC1 ZINC000037482317 181243947 /nfs/dbraw/zinc/24/39/47/181243947.db2.gz RRLFWCLTRWMFHF-ZETCQYMHSA-N 1 1 215.253 -1.516 10 0 BAAEMO CN(C(=O)[C@H]([NH3+])CC(N)=O)C1CCOCC1 ZINC000037482321 172331859 /nfs/dbraw/zinc/33/18/59/172331859.db2.gz MLUJKGRNLPFVJN-MRVPVSSYSA-N 1 1 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1 1 216.237 -1.218 10 0 BAAEMO CCS(=O)(=O)NC1CC([NH3+])(C(=O)OC)C1 ZINC000675073931 538506321 /nfs/dbraw/zinc/50/63/21/538506321.db2.gz OOJBBSYCTJMUOH-UHFFFAOYSA-N 1 1 236.293 -1.041 10 0 BAAEMO COC(=O)C1([NH3+])CC(NS(C)(=O)=O)C1 ZINC000675073940 566454104 /nfs/dbraw/zinc/45/41/04/566454104.db2.gz OPKXGOQMRYIQOZ-UHFFFAOYSA-N 1 1 222.266 -1.432 10 0 BAAEMO CCN1C[C@H]2C[NH2+]CCN2S1(=O)=O ZINC000675075885 538510523 /nfs/dbraw/zinc/51/05/23/538510523.db2.gz WIQQUXVTPWFQNV-SSDOTTSWSA-N 1 1 205.283 -1.160 10 0 BAAEMO CCN1C[C@@H]2C[NH2+]CCN2S1(=O)=O ZINC000675075887 538510481 /nfs/dbraw/zinc/51/04/81/538510481.db2.gz WIQQUXVTPWFQNV-ZETCQYMHSA-N 1 1 205.283 -1.160 10 0 BAAEMO COCC[NH2+]Cc1cnn(C)c1S(N)(=O)=O ZINC000675076031 538510122 /nfs/dbraw/zinc/51/01/22/538510122.db2.gz SLICHKXXNOLVAJ-UHFFFAOYSA-N 1 1 248.308 -1.197 10 0 BAAEMO CCNS(=O)(=O)CC[C@H]([NH3+])C(=O)OC ZINC000675078937 538517428 /nfs/dbraw/zinc/51/74/28/538517428.db2.gz CBYJYPDCXHZWML-LURJTMIESA-N 1 1 224.282 -1.184 10 0 BAAEMO CCNS(=O)(=O)CC[C@@H]([NH3+])C(=O)OC ZINC000675078940 538517261 /nfs/dbraw/zinc/51/72/61/538517261.db2.gz CBYJYPDCXHZWML-ZCFIWIBFSA-N 1 1 224.282 -1.184 10 0 BAAEMO COC[C@@H]([NH3+])c1cnnn1S(C)(=O)=O ZINC000675080047 538519381 /nfs/dbraw/zinc/51/93/81/538519381.db2.gz KBECTHHHJHRHPO-RXMQYKEDSA-N 1 1 220.254 -1.268 10 0 BAAEMO COC[C@H]([NH3+])c1cnnn1S(C)(=O)=O ZINC000675080048 538519637 /nfs/dbraw/zinc/51/96/37/538519637.db2.gz KBECTHHHJHRHPO-YFKPBYRVSA-N 1 1 220.254 -1.268 10 0 BAAEMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CNC(=O)C2)C1 ZINC000680827328 487653002 /nfs/dbraw/zinc/65/30/02/487653002.db2.gz BHBABRHUINMHCW-GZMMTYOYSA-N 1 1 241.291 -1.695 10 0 BAAEMO COC(=O)C(=O)N1CC([NH2+]C2COC2)C1 ZINC000685947190 538888751 /nfs/dbraw/zinc/88/87/51/538888751.db2.gz FVRKGDPOOHICID-UHFFFAOYSA-N 1 1 214.221 -1.641 10 0 BAAEMO CCOC(=O)C(=O)N1CC([NH2+]C2COC2)C1 ZINC000685947239 538888648 /nfs/dbraw/zinc/88/86/48/538888648.db2.gz HURRGDTXWZUDHS-UHFFFAOYSA-N 1 1 228.248 -1.251 10 0 BAAEMO COC(=O)CNCC[C@H]([NH3+])C(=O)OC ZINC000685947668 538889469 /nfs/dbraw/zinc/88/94/69/538889469.db2.gz NMRPRLOSUPTYBT-LURJTMIESA-N 1 1 204.226 -1.361 10 0 BAAEMO COC(=O)CNCC[C@@H]([NH3+])C(=O)OC ZINC000685947674 538889833 /nfs/dbraw/zinc/88/98/33/538889833.db2.gz NMRPRLOSUPTYBT-ZCFIWIBFSA-N 1 1 204.226 -1.361 10 0 BAAEMO COC(=O)CC(=O)N1CC([NH2+]C2COC2)C1 ZINC000685947927 538889443 /nfs/dbraw/zinc/88/94/43/538889443.db2.gz UDFSCBVRUDNNOV-UHFFFAOYSA-N 1 1 228.248 -1.251 10 0 BAAEMO CN(C)CC(=O)N1CC[C@@](O)(C[NH3+])C1 ZINC000685949736 538893085 /nfs/dbraw/zinc/89/30/85/538893085.db2.gz BMASYJYWHNBZNP-SECBINFHSA-N 1 1 201.270 -1.530 10 0 BAAEMO CN(C)CC(=O)N1CC[C@](O)(C[NH3+])C1 ZINC000685949739 538892953 /nfs/dbraw/zinc/89/29/53/538892953.db2.gz BMASYJYWHNBZNP-VIFPVBQESA-N 1 1 201.270 -1.530 10 0 BAAEMO COC(=O)c1n[nH]nc1[C@H]1C[NH2+]CCN1 ZINC000685953248 538897174 /nfs/dbraw/zinc/89/71/74/538897174.db2.gz IBUBMIJHESBQIF-RXMQYKEDSA-N 1 1 211.225 -1.175 10 0 BAAEMO COC(=O)c1n[nH]nc1[C@@H]1C[NH2+]CCN1 ZINC000685953250 538897354 /nfs/dbraw/zinc/89/73/54/538897354.db2.gz IBUBMIJHESBQIF-YFKPBYRVSA-N 1 1 211.225 -1.175 10 0 BAAEMO COC(=O)N(C)CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000701590452 712025821 /nfs/dbraw/zinc/02/58/21/712025821.db2.gz IUOSGLCSTDFIRR-MRVPVSSYSA-N 1 1 245.279 -1.211 10 0 BAAEMO COC(=O)N(C)CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000701590453 712025546 /nfs/dbraw/zinc/02/55/46/712025546.db2.gz IUOSGLCSTDFIRR-QMMMGPOBSA-N 1 1 245.279 -1.211 10 0 BAAEMO CN1CCO[C@@H](C[N@@H+](C)C[C@@H](O)CO)C1 ZINC000707839260 712180044 /nfs/dbraw/zinc/18/00/44/712180044.db2.gz LEYSEDGPZCFGRB-NXEZZACHSA-N 1 1 218.297 -1.398 10 0 BAAEMO CN1CCO[C@H](C[N@@H+](C)C[C@H](O)CO)C1 ZINC000707839263 712179773 /nfs/dbraw/zinc/17/97/73/712179773.db2.gz LEYSEDGPZCFGRB-UWVGGRQHSA-N 1 1 218.297 -1.398 10 0 BAAEMO CN1CCO[C@@H](C[N@@H+](C)C[C@H](O)CO)C1 ZINC000707839267 712179590 /nfs/dbraw/zinc/17/95/90/712179590.db2.gz LEYSEDGPZCFGRB-VHSXEESVSA-N 1 1 218.297 -1.398 10 0 BAAEMO CN1CCO[C@H](C[N@@H+](C)C[C@@H](O)CO)C1 ZINC000707839270 712179930 /nfs/dbraw/zinc/17/99/30/712179930.db2.gz LEYSEDGPZCFGRB-ZJUUUORDSA-N 1 1 218.297 -1.398 10 0 BAAEMO COC(=O)[C@](C)(O)C[N@@H+](C)[C@H](C)C(N)=O ZINC000711063922 712277217 /nfs/dbraw/zinc/27/72/17/712277217.db2.gz RAGNOOZCRGSEKQ-HZGVNTEJSA-N 1 1 218.253 -1.284 10 0 BAAEMO COC(=O)[C@@](C)(O)C[N@@H+](C)[C@H](C)C(N)=O ZINC000711063923 712277444 /nfs/dbraw/zinc/27/74/44/712277444.db2.gz RAGNOOZCRGSEKQ-MUWHJKNJSA-N 1 1 218.253 -1.284 10 0 BAAEMO COC(=O)[C@](C)(O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC000711096576 712280194 /nfs/dbraw/zinc/28/01/94/712280194.db2.gz RAGNOOZCRGSEKQ-IMTBSYHQSA-N 1 1 218.253 -1.284 10 0 BAAEMO COC(=O)[C@@](C)(O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC000711096578 712280064 /nfs/dbraw/zinc/28/00/64/712280064.db2.gz RAGNOOZCRGSEKQ-RCOVLWMOSA-N 1 1 218.253 -1.284 10 0 BAAEMO CO[C@H]1C[C@@H](CO)[N@@H+](CCn2cnnn2)C1 ZINC000712585361 712434794 /nfs/dbraw/zinc/43/47/94/712434794.db2.gz GCEXRSVGODRVIX-IUCAKERBSA-N 1 1 227.268 -1.245 10 0 BAAEMO NC(=O)C1CC(NC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000716682539 712570071 /nfs/dbraw/zinc/57/00/71/712570071.db2.gz IGQBTZDSQPZOBM-KAVNDROISA-N 1 1 227.264 -1.645 10 0 BAAEMO NC(=O)C1CC(NC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000716682543 712569963 /nfs/dbraw/zinc/56/99/63/712569963.db2.gz IGQBTZDSQPZOBM-RRQHEKLDSA-N 1 1 227.264 -1.645 10 0 BAAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NC1CC(C(N)=O)C1 ZINC000716686744 712570337 /nfs/dbraw/zinc/57/03/37/712570337.db2.gz ZZXBOHVVXFGROE-KHONBHQKSA-N 1 1 241.291 -1.257 10 0 BAAEMO COCCN(CC[NH3+])C(=O)CN(C)C ZINC000725241460 631528941 /nfs/dbraw/zinc/52/89/41/631528941.db2.gz FOQWYBAKFDZORW-UHFFFAOYSA-N 1 1 203.286 -1.018 10 0 BAAEMO COC[C@@H](N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725257946 538069997 /nfs/dbraw/zinc/06/99/97/538069997.db2.gz AOWOAGZBXWHRES-MRVPVSSYSA-N 1 1 239.279 -1.060 10 0 BAAEMO COC[C@H](N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725257947 538069796 /nfs/dbraw/zinc/06/97/96/538069796.db2.gz AOWOAGZBXWHRES-QMMMGPOBSA-N 1 1 239.279 -1.060 10 0 BAAEMO COCCN1CCN(CC[C@H]([NH3+])C(N)=O)CC1 ZINC000725263007 538089260 /nfs/dbraw/zinc/08/92/60/538089260.db2.gz ATGYFDVXWYLPJS-JTQLQIEISA-N 1 1 244.339 -1.547 10 0 BAAEMO COCCN1CCN(CC[C@@H]([NH3+])C(N)=O)CC1 ZINC000725263008 538089144 /nfs/dbraw/zinc/08/91/44/538089144.db2.gz ATGYFDVXWYLPJS-SNVBAGLBSA-N 1 1 244.339 -1.547 10 0 BAAEMO CN(C)CC(=O)NC[C@H]1OC(=O)CC12C[NH2+]C2 ZINC000725263293 538089737 /nfs/dbraw/zinc/08/97/37/538089737.db2.gz GOOTZAPOYMIXEM-MRVPVSSYSA-N 1 1 241.291 -1.431 10 0 BAAEMO CN(C)CC(=O)NC[C@@H]1OC(=O)CC12C[NH2+]C2 ZINC000725263294 538089802 /nfs/dbraw/zinc/08/98/02/538089802.db2.gz GOOTZAPOYMIXEM-QMMMGPOBSA-N 1 1 241.291 -1.431 10 0 BAAEMO CN(C)CC(=O)N[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC000725271848 538103334 /nfs/dbraw/zinc/10/33/34/538103334.db2.gz DHXOSELOSSCGGT-MRVPVSSYSA-N 1 1 240.307 -1.763 10 0 BAAEMO CN(C)CC(=O)N[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC000725271853 538103383 /nfs/dbraw/zinc/10/33/83/538103383.db2.gz DHXOSELOSSCGGT-QMMMGPOBSA-N 1 1 240.307 -1.763 10 0 BAAEMO COC[C@H]1C[NH2+]CCN1C(=O)CN(C)C ZINC000725272317 538104140 /nfs/dbraw/zinc/10/41/40/538104140.db2.gz BJHZMLPCHPVHFP-SECBINFHSA-N 1 1 215.297 -1.005 10 0 BAAEMO COC[C@@H]1C[NH2+]CCN1C(=O)CN(C)C ZINC000725272324 538104160 /nfs/dbraw/zinc/10/41/60/538104160.db2.gz BJHZMLPCHPVHFP-VIFPVBQESA-N 1 1 215.297 -1.005 10 0 BAAEMO CN(C)CC(=O)N1CC(N2C[C@H]([NH3+])CC2=O)C1 ZINC000725273125 538104483 /nfs/dbraw/zinc/10/44/83/538104483.db2.gz VDLZXSMVEAYGLK-MRVPVSSYSA-N 1 1 240.307 -1.682 10 0 BAAEMO CN(C)CC(=O)N1CC(N2C[C@@H]([NH3+])CC2=O)C1 ZINC000725273126 538104480 /nfs/dbraw/zinc/10/44/80/538104480.db2.gz VDLZXSMVEAYGLK-QMMMGPOBSA-N 1 1 240.307 -1.682 10 0 BAAEMO COC(=O)CS(=O)(=O)NCC1(F)C[NH2+]C1 ZINC000725273284 538104901 /nfs/dbraw/zinc/10/49/01/538104901.db2.gz SJEYWXIGYMPXFE-UHFFFAOYSA-N 1 1 240.256 -1.610 10 0 BAAEMO CN1CCOC[C@@]12CNC1(C[NH2+]C1)OC2 ZINC000757139815 582520167 /nfs/dbraw/zinc/52/01/67/582520167.db2.gz HMVLUGFJMCNVKQ-SECBINFHSA-N 1 1 213.281 -1.394 10 0 BAAEMO CN1CCOC[C@]12CNC1(C[NH2+]C1)OC2 ZINC000757139820 582520112 /nfs/dbraw/zinc/52/01/12/582520112.db2.gz HMVLUGFJMCNVKQ-VIFPVBQESA-N 1 1 213.281 -1.394 10 0 BAAEMO NC(=O)[C@H]1CCN1CC1(O)CC[NH2+]CC1 ZINC000757140891 582521337 /nfs/dbraw/zinc/52/13/37/582521337.db2.gz BXCURILFARGYBD-MRVPVSSYSA-N 1 1 213.281 -1.340 10 0 BAAEMO NC(=O)[C@@H]1CCN1CC1(O)CC[NH2+]CC1 ZINC000757140896 582521712 /nfs/dbraw/zinc/52/17/12/582521712.db2.gz BXCURILFARGYBD-QMMMGPOBSA-N 1 1 213.281 -1.340 10 0 BAAEMO NC(=O)[C@H]1CCN1C(=O)[C@@H]1CSC[NH2+]1 ZINC000757142777 582523012 /nfs/dbraw/zinc/52/30/12/582523012.db2.gz HOHRKAIJCYVTNM-NTSWFWBYSA-N 1 1 215.278 -1.265 10 0 BAAEMO NC(=O)[C@H]1CCN1C(=O)[C@H]1CSC[NH2+]1 ZINC000757142801 582522797 /nfs/dbraw/zinc/52/27/97/582522797.db2.gz HOHRKAIJCYVTNM-PHDIDXHHSA-N 1 1 215.278 -1.265 10 0 BAAEMO NC(=O)[C@@H]1CCN1C(=O)[C@H]1CSC[NH2+]1 ZINC000757142821 582522756 /nfs/dbraw/zinc/52/27/56/582522756.db2.gz HOHRKAIJCYVTNM-RITPCOANSA-N 1 1 215.278 -1.265 10 0 BAAEMO NC(=O)[C@@H]1CCN1C(=O)[C@@H]1CSC[NH2+]1 ZINC000757142829 582522865 /nfs/dbraw/zinc/52/28/65/582522865.db2.gz HOHRKAIJCYVTNM-WDSKDSINSA-N 1 1 215.278 -1.265 10 0 BAAEMO C1OCC12NC[C@@]1(COCC[NH2+]1)CO2 ZINC000757143669 582523872 /nfs/dbraw/zinc/52/38/72/582523872.db2.gz MKELAUBNNMYDRI-MRVPVSSYSA-N 1 1 200.238 -1.309 10 0 BAAEMO C1OCC12NC[C@]1(COCC[NH2+]1)CO2 ZINC000757143675 582524049 /nfs/dbraw/zinc/52/40/49/582524049.db2.gz MKELAUBNNMYDRI-QMMMGPOBSA-N 1 1 200.238 -1.309 10 0 BAAEMO NNc1cncc(N2CC[C@@H]2C(N)=O)[nH+]1 ZINC000757144068 586428185 /nfs/dbraw/zinc/42/81/85/586428185.db2.gz IACZHXUVVJYPHT-RXMQYKEDSA-N 1 1 208.225 -1.174 10 0 BAAEMO NNc1cncc(N2CC[C@H]2C(N)=O)[nH+]1 ZINC000757144085 586428208 /nfs/dbraw/zinc/42/82/08/586428208.db2.gz IACZHXUVVJYPHT-YFKPBYRVSA-N 1 1 208.225 -1.174 10 0 BAAEMO NC(=O)[C@H]1CCN1Cc1noc(C[NH3+])n1 ZINC000757146929 582530435 /nfs/dbraw/zinc/53/04/35/582530435.db2.gz RXUGHUMCURQIRQ-RXMQYKEDSA-N 1 1 211.225 -1.412 10 0 BAAEMO NC(=O)[C@@H]1CCN1Cc1noc(C[NH3+])n1 ZINC000757146934 582530315 /nfs/dbraw/zinc/53/03/15/582530315.db2.gz RXUGHUMCURQIRQ-YFKPBYRVSA-N 1 1 211.225 -1.412 10 0 BAAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@H]1C(N)=O ZINC000757151844 582536354 /nfs/dbraw/zinc/53/63/54/582536354.db2.gz QPNMDGPSCJBUIO-CRCLSJGQSA-N 1 1 214.225 -2.725 10 0 BAAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CC[C@@H]1C(N)=O ZINC000757151855 582536176 /nfs/dbraw/zinc/53/61/76/582536176.db2.gz QPNMDGPSCJBUIO-RFZPGFLSSA-N 1 1 214.225 -2.725 10 0 BAAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CC[C@H]1C(N)=O ZINC000757151860 582535954 /nfs/dbraw/zinc/53/59/54/582535954.db2.gz QPNMDGPSCJBUIO-UHNVWZDZSA-N 1 1 214.225 -2.725 10 0 BAAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H]1C(N)=O ZINC000757151874 582536044 /nfs/dbraw/zinc/53/60/44/582536044.db2.gz QPNMDGPSCJBUIO-WHFBIAKZSA-N 1 1 214.225 -2.725 10 0 BAAEMO C[NH2+]Cc1nnc(N2CC[C@@H]2C(N)=O)o1 ZINC000757158204 582540445 /nfs/dbraw/zinc/54/04/45/582540445.db2.gz OVABKUWPCZLQHQ-RXMQYKEDSA-N 1 1 211.225 -1.147 10 0 BAAEMO C[NH2+]Cc1nnc(N2CC[C@H]2C(N)=O)o1 ZINC000757158215 582540507 /nfs/dbraw/zinc/54/05/07/582540507.db2.gz OVABKUWPCZLQHQ-YFKPBYRVSA-N 1 1 211.225 -1.147 10 0 BAAEMO C[N@H+]1CC[C@]2(CC(=O)O[C@@H]2CS(N)(=O)=O)C1 ZINC000757216779 586441144 /nfs/dbraw/zinc/44/11/44/586441144.db2.gz HSXOXOFTCUSSOB-APPZFPTMSA-N 1 1 248.304 -1.088 10 0 BAAEMO C[N@H+]1CC[C@]2(CC(=O)O[C@H]2CS(N)(=O)=O)C1 ZINC000757216783 586441207 /nfs/dbraw/zinc/44/12/07/586441207.db2.gz HSXOXOFTCUSSOB-CBAPKCEASA-N 1 1 248.304 -1.088 10 0 BAAEMO C[N@H+]1CC[C@@]2(CC(=O)O[C@H]2CS(N)(=O)=O)C1 ZINC000757216784 586441397 /nfs/dbraw/zinc/44/13/97/586441397.db2.gz HSXOXOFTCUSSOB-IONNQARKSA-N 1 1 248.304 -1.088 10 0 BAAEMO C[N@H+]1CC[C@@]2(CC(=O)O[C@@H]2CS(N)(=O)=O)C1 ZINC000757216785 586441089 /nfs/dbraw/zinc/44/10/89/586441089.db2.gz HSXOXOFTCUSSOB-VXNVDRBHSA-N 1 1 248.304 -1.088 10 0 BAAEMO