smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N1CCC[N@@H+](C[C@H](C)CO)CC1 ZINC000160904986 538913260 /nfs/dbraw/zinc/91/32/60/538913260.db2.gz FXVDTUNWRJRIFW-JTQLQIEISA-N 1 0 214.309 0.169 20 70 BCIDRO CC[C@H]([NH3+])C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161499225 349466137 /nfs/dbraw/zinc/46/61/37/349466137.db2.gz CPYYENXTFBCARY-IXMYILBSSA-N 1 0 225.336 0.465 20 70 BCIDRO CCC(CC)(C[NH3+])NC(=O)[C@@H](C)OC ZINC000160933629 168324688 /nfs/dbraw/zinc/32/46/88/168324688.db2.gz DECYTRGJGDGJQU-MRVPVSSYSA-N 1 0 202.298 0.655 20 70 BCIDRO [NH3+]CCCNC(=O)CSCc1cccnc1 ZINC000160052919 201700801 /nfs/dbraw/zinc/70/08/01/201700801.db2.gz UFAFSGCODZPCAK-UHFFFAOYSA-N 1 0 239.344 0.780 20 70 BCIDRO CS(=O)(=O)NCCC[NH2+]Cc1nccs1 ZINC000218086299 398325382 /nfs/dbraw/zinc/32/53/82/398325382.db2.gz UJJMRLMKCCPMDK-UHFFFAOYSA-N 1 0 249.361 0.172 20 70 BCIDRO CSCCN(C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000160002211 343203127 /nfs/dbraw/zinc/20/31/27/343203127.db2.gz VOQKRHGPCPWEGN-MRVPVSSYSA-N 1 0 202.323 0.417 20 70 BCIDRO CSCCN(C)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000160005594 343203130 /nfs/dbraw/zinc/20/31/30/343203130.db2.gz KZXKZNKTJOHEPR-SECBINFHSA-N 1 0 216.350 0.807 20 70 BCIDRO COc1cccnc1NCC(=O)N(C)C ZINC000160202607 323063636 /nfs/dbraw/zinc/06/36/36/323063636.db2.gz QMIOQIFRKLCHBF-UHFFFAOYSA-N 1 0 209.249 0.590 20 70 BCIDRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)C1CC1 ZINC000160166326 187358324 /nfs/dbraw/zinc/35/83/24/187358324.db2.gz CYLWOJOPQYCAAK-JTQLQIEISA-N 1 0 234.365 0.832 20 70 BCIDRO CCOCCNC(=O)N1CCC[N@H+](CC)CC1 ZINC000159592491 345445313 /nfs/dbraw/zinc/44/53/13/345445313.db2.gz LXZCTISLVFIMQJ-UHFFFAOYSA-N 1 0 243.351 0.760 20 70 BCIDRO CC[C@@H]([NH3+])C(=O)N(C)CCC1CCOCC1 ZINC000161403472 345603406 /nfs/dbraw/zinc/60/34/06/345603406.db2.gz RBRJHVKELAMZLQ-LLVKDONJSA-N 1 0 228.336 0.999 20 70 BCIDRO NC(=O)[C@@H]1C[N@H+](CCC2CCCC2)CCO1 ZINC000159898602 345589381 /nfs/dbraw/zinc/58/93/81/345589381.db2.gz JZORPJCDBGUXIW-NSHDSACASA-N 1 0 226.320 0.753 20 70 BCIDRO COC(=O)CC[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000161210700 346089045 /nfs/dbraw/zinc/08/90/45/346089045.db2.gz JHTXTLRFIMOFHP-IUCAKERBSA-N 1 0 201.266 0.252 20 70 BCIDRO COCC(C)(C)C(=O)NC1CC[NH+](C)CC1 ZINC000160246606 346358626 /nfs/dbraw/zinc/35/86/26/346358626.db2.gz SXZHMPWDOCQITI-UHFFFAOYSA-N 1 0 228.336 0.869 20 70 BCIDRO C[NH+](C)CCCNC(=O)[C@@H]1CCCCO1 ZINC000160972421 323141091 /nfs/dbraw/zinc/14/10/91/323141091.db2.gz MTFUHSFFHNTJFR-JTQLQIEISA-N 1 0 214.309 0.623 20 70 BCIDRO COC(=O)[C@@H](C)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000217409366 136748395 /nfs/dbraw/zinc/74/83/95/136748395.db2.gz VBLQBTIPUARJIW-GHMZBOCLSA-N 1 0 226.320 0.718 20 70 BCIDRO CCOCCC[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000160534139 349107941 /nfs/dbraw/zinc/10/79/41/349107941.db2.gz FDDILCOQFULZMZ-QWRGUYRKSA-N 1 0 228.336 0.999 20 70 BCIDRO CC[NH+](CC)CCNC(=O)N1CC[C@H](CO)C1 ZINC000160845237 349329830 /nfs/dbraw/zinc/32/98/30/349329830.db2.gz SXWSZVRXHNNKDD-NSHDSACASA-N 1 0 243.351 0.352 20 70 BCIDRO CCOC(=O)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC000160872676 349333847 /nfs/dbraw/zinc/33/38/47/349333847.db2.gz QYPYFJRVTWNLIO-JTQLQIEISA-N 1 0 244.335 0.785 20 70 BCIDRO CC(C)[C@@H](O)CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000160898566 349336401 /nfs/dbraw/zinc/33/64/01/349336401.db2.gz OBQIALYKXLEFNK-MNOVXSKESA-N 1 0 228.336 0.509 20 70 BCIDRO CSCC[C@@H]([NH3+])C(=O)NCC[C@H](O)C(C)C ZINC000160899347 349336451 /nfs/dbraw/zinc/33/64/51/349336451.db2.gz IAGQKMSOXULHGX-ZJUUUORDSA-N 1 0 248.392 0.590 20 70 BCIDRO CCOC(=O)CN(CC)C[C@@H](C)CO ZINC000160932598 349345290 /nfs/dbraw/zinc/34/52/90/349345290.db2.gz XIKBARGCMLRZPE-SECBINFHSA-N 1 0 203.282 0.500 20 70 BCIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC1=CCCOC1 ZINC000159663230 350967571 /nfs/dbraw/zinc/96/75/71/350967571.db2.gz FLAGAHPYFHZWJH-PWSUYJOCSA-N 1 0 238.331 0.919 20 70 BCIDRO CC(=O)N(C)c1cccc(NC(=O)CC[NH3+])c1 ZINC000161387175 187642868 /nfs/dbraw/zinc/64/28/68/187642868.db2.gz ZTLKNPPTYFLICA-UHFFFAOYSA-N 1 0 235.287 0.957 20 70 BCIDRO COCCN(CC[NH3+])CC(F)(F)F ZINC000160765515 353272261 /nfs/dbraw/zinc/27/22/61/353272261.db2.gz ZEAHFUPHOJEPQP-UHFFFAOYSA-N 1 0 200.204 0.456 20 70 BCIDRO CC[C@@H](O)CCNC(=O)NC1CC[NH+](C)CC1 ZINC000160715010 353269187 /nfs/dbraw/zinc/26/91/87/353269187.db2.gz NRGJYJHYHUIRNX-LLVKDONJSA-N 1 0 243.351 0.541 20 70 BCIDRO CC(C)(O)CC[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000160267762 535285391 /nfs/dbraw/zinc/28/53/91/535285391.db2.gz IKICWHLYJKNHPN-LBPRGKRZSA-N 1 0 228.336 0.877 20 70 BCIDRO CCCCC[C@@H](C)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000218367931 356638003 /nfs/dbraw/zinc/63/80/03/356638003.db2.gz JQYDYBCTGMUWIX-GMTAPVOTSA-N 1 0 228.336 0.794 20 70 BCIDRO CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000217965950 357266028 /nfs/dbraw/zinc/26/60/28/357266028.db2.gz FIRKEMUNTITUET-CQSZACIVSA-N 1 0 248.326 0.760 20 70 BCIDRO NC(=O)[C@@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000159842288 538879578 /nfs/dbraw/zinc/87/95/78/538879578.db2.gz NDWBLLUHIIBCFK-SNVBAGLBSA-N 1 0 244.298 0.642 20 70 BCIDRO COC(=O)[C@@H](C)N1CCC[C@@H](C[NH3+])C1 ZINC000217561834 357909011 /nfs/dbraw/zinc/90/90/11/357909011.db2.gz WXQJOVLFQPEXRP-BDAKNGLRSA-N 1 0 200.282 0.219 20 70 BCIDRO CCOC[C@@H](O)C[NH2+][C@@H](CC)CCO ZINC000217816333 357911404 /nfs/dbraw/zinc/91/14/04/357911404.db2.gz BERMDOCNNYYSRG-UWVGGRQHSA-N 1 0 205.298 0.134 20 70 BCIDRO CCOC[C@@H](O)C[NH2+][C@H](CC)CCO ZINC000217816507 357911516 /nfs/dbraw/zinc/91/15/16/357911516.db2.gz BERMDOCNNYYSRG-ZJUUUORDSA-N 1 0 205.298 0.134 20 70 BCIDRO C[C@H](O)[C@H]1CC[N@H+](CCCCCO)C1 ZINC000159425988 361235211 /nfs/dbraw/zinc/23/52/11/361235211.db2.gz IIQJUYHECVVMDI-QWRGUYRKSA-N 1 0 201.310 0.852 20 70 BCIDRO CCCO[C@H]1CCCN(C(=O)C[NH3+])CC1 ZINC000159470096 361238192 /nfs/dbraw/zinc/23/81/92/361238192.db2.gz LWFBTWUBBWWPPD-JTQLQIEISA-N 1 0 214.309 0.753 20 70 BCIDRO [NH3+]C[C@@H]1CN(C(=O)C2CC=CC2)CCO1 ZINC000159517349 361243758 /nfs/dbraw/zinc/24/37/58/361243758.db2.gz PDECPWWCQRDIHY-SNVBAGLBSA-N 1 0 210.277 0.139 20 70 BCIDRO [NH3+]C[C@H]1CN(C(=O)C2CC=CC2)CCO1 ZINC000159517479 361245477 /nfs/dbraw/zinc/24/54/77/361245477.db2.gz PDECPWWCQRDIHY-JTQLQIEISA-N 1 0 210.277 0.139 20 70 BCIDRO CCOCCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000159562481 361255343 /nfs/dbraw/zinc/25/53/43/361255343.db2.gz NTFYUPACLWLXJI-LLVKDONJSA-N 1 0 214.309 0.671 20 70 BCIDRO C[C@@H](NC(=O)C[NH+](C)C)C(=O)OC(C)(C)C ZINC000160107718 361299021 /nfs/dbraw/zinc/29/90/21/361299021.db2.gz FKWIWWLXGAWSCA-MRVPVSSYSA-N 1 0 230.308 0.394 20 70 BCIDRO CCCCS(=O)(=O)NC1(C)CC[NH2+]CC1 ZINC000160580689 361320201 /nfs/dbraw/zinc/32/02/01/361320201.db2.gz QDWIWQKRQFXANJ-UHFFFAOYSA-N 1 0 234.365 0.848 20 70 BCIDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)NC(C)C ZINC000160931600 361333664 /nfs/dbraw/zinc/33/36/64/361333664.db2.gz CQCZUPRSZBPWFV-VIFPVBQESA-N 1 0 237.369 0.336 20 70 BCIDRO CC[NH+](CC)CCCNC(=O)N[C@H]1CCOC1 ZINC000159439586 201681693 /nfs/dbraw/zinc/68/16/93/201681693.db2.gz MCNFFJJSSIAZJZ-NSHDSACASA-N 1 0 243.351 0.806 20 70 BCIDRO O=C(NCC1=CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000160512244 182135561 /nfs/dbraw/zinc/13/55/61/182135561.db2.gz MGTITUZRFLQUGG-JTQLQIEISA-N 1 0 210.277 0.201 20 70 BCIDRO Cn1nnc2cc(C(=O)NCCC[NH3+])ccc21 ZINC000159999341 384374972 /nfs/dbraw/zinc/37/49/72/384374972.db2.gz VPCZMDAAPXVNIS-UHFFFAOYSA-N 1 0 233.275 0.047 20 70 BCIDRO COC(=O)Cc1cccc(NC(=O)[C@H](C)[NH3+])c1 ZINC000159642261 384345714 /nfs/dbraw/zinc/34/57/14/384345714.db2.gz FQZYAEGKSJKQQW-QMMMGPOBSA-N 1 0 236.271 0.688 20 70 BCIDRO CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)C[C@@H](C)O ZINC000159438366 384330812 /nfs/dbraw/zinc/33/08/12/384330812.db2.gz OHWKFVUBQBBHNM-NXEZZACHSA-N 1 0 216.325 0.554 20 70 BCIDRO CO[C@@H](C)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000160935640 384861137 /nfs/dbraw/zinc/86/11/37/384861137.db2.gz AOBUGPKVVFIMQS-IUCAKERBSA-N 1 0 202.298 0.511 20 70 BCIDRO CO[C@H](C)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000160935511 384862621 /nfs/dbraw/zinc/86/26/21/384862621.db2.gz AOBUGPKVVFIMQS-RKDXNWHRSA-N 1 0 202.298 0.511 20 70 BCIDRO CN(CC[NH+](C)C)Cc1ccc(CO)o1 ZINC000161322022 384970229 /nfs/dbraw/zinc/97/02/29/384970229.db2.gz VAFYNEUYIAITCW-UHFFFAOYSA-N 1 0 212.293 0.765 20 70 BCIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cnns2)C1 ZINC000161286182 384962473 /nfs/dbraw/zinc/96/24/73/384962473.db2.gz ZSTXXYCRBPODDJ-BQBZGAKWSA-N 1 0 226.305 0.538 20 70 BCIDRO CC[C@@](C)(O)C[NH+]1CCC(NC(N)=O)CC1 ZINC000161456924 385076513 /nfs/dbraw/zinc/07/65/13/385076513.db2.gz BFRLSGWUDOCGMX-LLVKDONJSA-N 1 0 229.324 0.280 20 70 BCIDRO C[C@@H](CNC(=O)c1ccncc1F)[NH+](C)C ZINC000161426731 385034894 /nfs/dbraw/zinc/03/48/94/385034894.db2.gz VQJICZOQWSJQAG-QMMMGPOBSA-N 1 0 225.267 0.901 20 70 BCIDRO CO[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000160942261 385306207 /nfs/dbraw/zinc/30/62/07/385306207.db2.gz MHVDQRFEWMIZJS-BBBLOLIVSA-N 1 0 212.293 0.374 20 70 BCIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cnns2)C1 ZINC000161286306 385658203 /nfs/dbraw/zinc/65/82/03/385658203.db2.gz ZSTXXYCRBPODDJ-RNFRBKRXSA-N 1 0 226.305 0.538 20 70 BCIDRO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159651173 385705252 /nfs/dbraw/zinc/70/52/52/385705252.db2.gz ISZDUSHIDSTQJJ-UWVGGRQHSA-N 1 0 239.319 0.707 20 70 BCIDRO CCC[C@@H](O)C[NH2+]Cc1cn(C)nc1C ZINC000160145704 385967893 /nfs/dbraw/zinc/96/78/93/385967893.db2.gz JVQUJZHGQOYAIE-LLVKDONJSA-N 1 0 211.309 0.979 20 70 BCIDRO C[C@H](O)C[C@H](C)CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000160567416 386237208 /nfs/dbraw/zinc/23/72/08/386237208.db2.gz RYKUPQFKDGXQPS-GARJFASQSA-N 1 0 228.336 0.652 20 70 BCIDRO C[C@]1(CNC(=O)C2([NH3+])CC2)CCCC[C@@H]1O ZINC000160838020 386270767 /nfs/dbraw/zinc/27/07/67/386270767.db2.gz QCJYGBNVSJMBAA-GXSJLCMTSA-N 1 0 226.320 0.535 20 70 BCIDRO CC[C@H](C(=O)N[C@H]1CCN(C(C)=O)C1)[NH+](C)C ZINC000159492321 386462141 /nfs/dbraw/zinc/46/21/41/386462141.db2.gz KTGIFPRLOKKALK-WDEREUQCSA-N 1 0 241.335 0.064 20 70 BCIDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccon1 ZINC000160535918 387221574 /nfs/dbraw/zinc/22/15/74/387221574.db2.gz CEEITNOTOWDMFU-YUMQZZPRSA-N 1 0 209.249 0.545 20 70 BCIDRO C[C@@H](CO)[N@H+](C)Cc1ccc(CO)cc1 ZINC000159458356 388014203 /nfs/dbraw/zinc/01/42/03/388014203.db2.gz WUTPBJVUHIQHGT-JTQLQIEISA-N 1 0 209.289 0.992 20 70 BCIDRO C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2CCOC2)C1 ZINC000159470785 388016394 /nfs/dbraw/zinc/01/63/94/388016394.db2.gz BVFZSOLKGCATND-MNOVXSKESA-N 1 0 241.335 0.511 20 70 BCIDRO C[C@@H]1COC[C@@H](C)N1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000160521041 388072279 /nfs/dbraw/zinc/07/22/79/388072279.db2.gz RMLZSCQDMJJTOM-GMTAPVOTSA-N 1 0 242.319 0.001 20 70 BCIDRO COC(=O)[C@H](C)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000160603270 388078804 /nfs/dbraw/zinc/07/88/04/388078804.db2.gz PACGEABSSVQHPJ-XHNCKOQMSA-N 1 0 200.282 0.217 20 70 BCIDRO Cn1cnn(CC[NH+]2CCCCC2)c1=O ZINC000160745548 388086887 /nfs/dbraw/zinc/08/68/87/388086887.db2.gz OZFLUKPLNZQGSZ-UHFFFAOYSA-N 1 0 210.281 0.068 20 70 BCIDRO C[C@@]1(O)CCC[N@H+](CCn2cccn2)C1 ZINC000160999378 388108713 /nfs/dbraw/zinc/10/87/13/388108713.db2.gz CSADOLVBVQPPCA-LLVKDONJSA-N 1 0 209.293 0.730 20 70 BCIDRO CCC(=O)NCC1CC[NH+](CCO)CC1 ZINC000160560656 168228103 /nfs/dbraw/zinc/22/81/03/168228103.db2.gz LHLNZUBPNSJEKK-UHFFFAOYSA-N 1 0 214.309 0.217 20 70 BCIDRO COCC[NH2+]CCNC(=O)CC1CCC1 ZINC000218223592 134252655 /nfs/dbraw/zinc/25/26/55/134252655.db2.gz FDOKTIGSZFKAHI-UHFFFAOYSA-N 1 0 214.309 0.529 20 70 BCIDRO CC(C)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000159592233 134780150 /nfs/dbraw/zinc/78/01/50/134780150.db2.gz JEYVWQKPDXOTGG-TUAOUCFPSA-N 1 0 240.347 0.997 20 70 BCIDRO CO[C@H](C)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000159973074 134796938 /nfs/dbraw/zinc/79/69/38/134796938.db2.gz VTGBIAZSLQPOMX-KOLCDFICSA-N 1 0 214.309 0.527 20 70 BCIDRO Fc1cccn2cc(CN3CC[NH2+]CC3)nc12 ZINC000216850557 411227308 /nfs/dbraw/zinc/22/73/08/411227308.db2.gz KRMPBCDFHICQQG-UHFFFAOYSA-N 1 0 234.278 0.879 20 70 BCIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCOC1 ZINC000159444830 411306273 /nfs/dbraw/zinc/30/62/73/411306273.db2.gz FEHLJCCCLHNRAH-MNOVXSKESA-N 1 0 241.335 0.559 20 70 BCIDRO CCOC(=O)[C@H](C)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000160802901 170263739 /nfs/dbraw/zinc/26/37/39/170263739.db2.gz NXQXIYPTGYAXRZ-BDAKNGLRSA-N 1 0 230.308 0.285 20 70 BCIDRO CCOCCC(=O)NCC1=CC[NH2+]CC1 ZINC000160515040 170359966 /nfs/dbraw/zinc/35/99/66/170359966.db2.gz OIBYJBCYGYCWTO-UHFFFAOYSA-N 1 0 212.293 0.449 20 70 BCIDRO CC[C@@H](O)C[NH2+]C[C@H](C)N(C)C1CC1 ZINC000218674740 412012958 /nfs/dbraw/zinc/01/29/58/412012958.db2.gz JXAHQODTLUYLQU-GXSJLCMTSA-N 1 0 200.326 0.830 20 70 BCIDRO CC[C@@](C)(O)C[N@H+](C)CC(=O)NC(C)(C)C ZINC000160487261 171179206 /nfs/dbraw/zinc/17/92/06/171179206.db2.gz QHCSFKOZILRHFG-GFCCVEGCSA-N 1 0 230.352 0.994 20 70 BCIDRO Cn1c(=O)cccc1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000160655608 173114513 /nfs/dbraw/zinc/11/45/13/173114513.db2.gz GCLNKQJDDKEIHH-JTQLQIEISA-N 1 0 249.314 0.067 20 70 BCIDRO Cn1c(=O)cccc1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000160655738 173145084 /nfs/dbraw/zinc/14/50/84/173145084.db2.gz GCLNKQJDDKEIHH-SNVBAGLBSA-N 1 0 249.314 0.067 20 70 BCIDRO C[NH2+]CC(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000160332457 173335514 /nfs/dbraw/zinc/33/55/14/173335514.db2.gz RKPZYIXTDKZFQD-UHFFFAOYSA-N 1 0 235.287 0.827 20 70 BCIDRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)OC)C1 ZINC000160916253 173367793 /nfs/dbraw/zinc/36/77/93/173367793.db2.gz JJNMMFRDZCPNMA-UWVGGRQHSA-N 1 0 214.309 0.479 20 70 BCIDRO C[NH2+]C[C@H](C)C(=O)NC[C@@]1(C)CCCC[C@@H]1O ZINC000160843150 173374212 /nfs/dbraw/zinc/37/42/12/173374212.db2.gz KYRTZSYFXDSVQA-GMXVVIOVSA-N 1 0 242.363 0.899 20 70 BCIDRO C[NH2+]C[C@H]1CCCN1C(=O)Cc1cc(C)n[nH]1 ZINC000161387928 173380003 /nfs/dbraw/zinc/38/00/03/173380003.db2.gz SMRVGAPAXZWHRJ-LLVKDONJSA-N 1 0 236.319 0.471 20 70 BCIDRO COCC(=O)NCC1(C)CC[NH2+]CC1 ZINC000159974584 174047463 /nfs/dbraw/zinc/04/74/63/174047463.db2.gz ADNONDOJGRLPQX-UHFFFAOYSA-N 1 0 200.282 0.139 20 70 BCIDRO C[C@@H](OC[C@H]1CCCO1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160271341 176002897 /nfs/dbraw/zinc/00/28/97/176002897.db2.gz IVQLYNAGERYPCL-GMTAPVOTSA-N 1 0 242.319 0.130 20 70 BCIDRO C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160271013 177021092 /nfs/dbraw/zinc/02/10/92/177021092.db2.gz IVQLYNAGERYPCL-AXFHLTTASA-N 1 0 242.319 0.130 20 70 BCIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc[nH]n1 ZINC000159695610 323044146 /nfs/dbraw/zinc/04/41/46/323044146.db2.gz MHOAMTPSXJNXAD-RKDXNWHRSA-N 1 0 222.292 0.496 20 70 BCIDRO Cc1n[nH]cc1C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000159698058 323044185 /nfs/dbraw/zinc/04/41/85/323044185.db2.gz XAQHRTLUMJDRQX-WPRPVWTQSA-N 1 0 236.319 0.804 20 70 BCIDRO CSCCN(C)C(=O)C(C)(C)C[NH3+] ZINC000160001217 323057234 /nfs/dbraw/zinc/05/72/34/323057234.db2.gz ZAHIUECMNVJOED-UHFFFAOYSA-N 1 0 204.339 0.793 20 70 BCIDRO CCOC[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC)C1 ZINC000160066722 323059291 /nfs/dbraw/zinc/05/92/91/323059291.db2.gz IBDMPDRMDUKOKN-QWRGUYRKSA-N 1 0 228.336 0.999 20 70 BCIDRO CC[C@H]([NH3+])C(=O)Nc1nnc2n(C)[nH]c(C)c1-2 ZINC000160114215 323060917 /nfs/dbraw/zinc/06/09/17/323060917.db2.gz UWRXWIXEGPGLGZ-LURJTMIESA-N 1 0 236.279 0.281 20 70 BCIDRO C[NH+](C)CC(=O)NCC1(CCO)CCC1 ZINC000160123155 323061017 /nfs/dbraw/zinc/06/10/17/323061017.db2.gz BLNCJXIHQVDNAA-UHFFFAOYSA-N 1 0 214.309 0.217 20 70 BCIDRO CC[C@@](C)(O)C[N@H+](C)CCN1CCCC1=O ZINC000161093603 323146205 /nfs/dbraw/zinc/14/62/05/323146205.db2.gz ZJCAPZRILWLWNJ-GFCCVEGCSA-N 1 0 228.336 0.702 20 70 BCIDRO Cc1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)n(C)n1 ZINC000161316887 487491138 /nfs/dbraw/zinc/49/11/38/487491138.db2.gz RNKSNXDMTLXMGZ-ZJUUUORDSA-N 1 0 236.319 0.728 20 70 BCIDRO Cc1nn2cccnc2c1C(=O)N1CC[NH2+]CC1 ZINC000159433313 490112219 /nfs/dbraw/zinc/11/22/19/490112219.db2.gz BSCPOYMOQYXFMG-UHFFFAOYSA-N 1 0 245.286 0.083 20 70 BCIDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(N)=O ZINC000218018636 536603506 /nfs/dbraw/zinc/60/35/06/536603506.db2.gz DZXRHLZMFDLEPZ-DJLDLDEBSA-N 1 0 200.282 0.407 20 70 BCIDRO COC(C[NH2+][C@@H](CCO)C(C)C)OC ZINC000218058950 583880311 /nfs/dbraw/zinc/88/03/11/583880311.db2.gz GZLYJGKZVSVBGK-VIFPVBQESA-N 1 0 205.298 0.602 20 70 BCIDRO CC[NH+](CC)CC(=O)Nc1c[nH]c(=O)c(C)c1 ZINC000159375495 585025635 /nfs/dbraw/zinc/02/56/35/585025635.db2.gz JDGVMEVAZATPFW-UHFFFAOYSA-N 1 0 237.303 0.964 20 70 BCIDRO CCC[C@@H](O)C[NH2+]CCS(=O)(=O)CC ZINC000217875819 592149967 /nfs/dbraw/zinc/14/99/67/592149967.db2.gz NDHHHMAKUVUCDT-SECBINFHSA-N 1 0 223.338 0.172 20 70 BCIDRO C[N@H+](C[C@H](O)C1CC1)CC1(O)CCOCC1 ZINC000160808839 538912941 /nfs/dbraw/zinc/91/29/41/538912941.db2.gz WWTNZXSYEKPIHX-NSHDSACASA-N 1 0 229.320 0.231 20 70 BCIDRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H]1CCOC1 ZINC000161501730 349466180 /nfs/dbraw/zinc/46/61/80/349466180.db2.gz DTVWRISCLPDHDQ-ZJUUUORDSA-N 1 0 235.349 0.436 20 70 BCIDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)NCCC ZINC000160930801 136226409 /nfs/dbraw/zinc/22/64/09/136226409.db2.gz BFIITCDJECURMC-VIFPVBQESA-N 1 0 237.369 0.338 20 70 BCIDRO CCOC(=O)C[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC000159557655 323036758 /nfs/dbraw/zinc/03/67/58/323036758.db2.gz LZMVSKCDAUWJJH-UWVGGRQHSA-N 1 0 244.335 0.785 20 70 BCIDRO O=C(C[NH2+]C1CC1)NCC1CCSCC1 ZINC000159618169 343202315 /nfs/dbraw/zinc/20/23/15/343202315.db2.gz ZXYJSRBXEQFDQY-UHFFFAOYSA-N 1 0 228.361 0.998 20 70 BCIDRO C[NH2+]C[C@H](C)C(=O)N(C)CCSC ZINC000160000911 343202853 /nfs/dbraw/zinc/20/28/53/343202853.db2.gz AYNODFAISFFRBB-QMMMGPOBSA-N 1 0 204.339 0.663 20 70 BCIDRO Cc1cnccc1CNC(=O)[C@H](C)C[NH3+] ZINC000160604024 343203348 /nfs/dbraw/zinc/20/33/48/343203348.db2.gz UCZHZRCQLAKZSJ-MRVPVSSYSA-N 1 0 207.277 0.601 20 70 BCIDRO COC(=O)[C@@H](C)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000217583861 136277984 /nfs/dbraw/zinc/27/79/84/136277984.db2.gz GZPPMGZAGNHPRK-UWVGGRQHSA-N 1 0 215.293 0.906 20 70 BCIDRO C[C@@H](O)C[C@H](C)CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000160567153 201722912 /nfs/dbraw/zinc/72/29/12/201722912.db2.gz RYKUPQFKDGXQPS-HBNTYKKESA-N 1 0 228.336 0.652 20 70 BCIDRO C[NH+](C)CC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000159392221 345429492 /nfs/dbraw/zinc/42/94/92/345429492.db2.gz AMJMYGJKMJBYRP-GHMZBOCLSA-N 1 0 226.320 0.622 20 70 BCIDRO O=C(c1cnccn1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159409049 345432663 /nfs/dbraw/zinc/43/26/63/345432663.db2.gz NCQXHCSFSLNGAB-AOOOYVTPSA-N 1 0 232.287 0.443 20 70 BCIDRO CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCOC1 ZINC000159456436 345434935 /nfs/dbraw/zinc/43/49/35/345434935.db2.gz AGUOBALFNBVMDU-LLVKDONJSA-N 1 0 241.335 0.513 20 70 BCIDRO Cn1nncc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159593243 345445290 /nfs/dbraw/zinc/44/52/90/345445290.db2.gz NHFSYUXDJFWDRB-TUAOUCFPSA-N 1 0 248.330 0.862 20 70 BCIDRO CCCC[C@@H](COC)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000159653949 345450726 /nfs/dbraw/zinc/45/07/26/345450726.db2.gz MBWZQFJILJISNT-QWRGUYRKSA-N 1 0 244.335 0.296 20 70 BCIDRO CC[C@@H](C)[C@H](O)CNC(=O)[C@@H]([NH3+])CCSC ZINC000159817034 345556182 /nfs/dbraw/zinc/55/61/82/345556182.db2.gz ZJCKRIDUGOEVPG-KXUCPTDWSA-N 1 0 248.392 0.590 20 70 BCIDRO CC(C)S(=O)(=O)CCCN1CC[NH2+]CC1 ZINC000216879652 345744429 /nfs/dbraw/zinc/74/44/29/345744429.db2.gz PGYYTDUABGNRJK-UHFFFAOYSA-N 1 0 234.365 0.105 20 70 BCIDRO CCCC[C@@H](COC)NC(=O)[C@@H](C)[NH3+] ZINC000161165041 346031582 /nfs/dbraw/zinc/03/15/82/346031582.db2.gz KJOGZEUCAVLDGE-BDAKNGLRSA-N 1 0 202.298 0.655 20 70 BCIDRO Cn1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000160324728 347127573 /nfs/dbraw/zinc/12/75/73/347127573.db2.gz QBFIHCDPIKOJNJ-SNVBAGLBSA-N 1 0 207.277 0.475 20 70 BCIDRO CCCNC(=O)[C@H](C)N1CC[NH2+][C@@H](C)C1 ZINC000159580060 136731042 /nfs/dbraw/zinc/73/10/42/136731042.db2.gz NYXSAYZLDKLWTR-UWVGGRQHSA-N 1 0 213.325 0.195 20 70 BCIDRO CO[C@H](C)C(=O)N(C)CCC[NH+](C)C ZINC000161188624 323151348 /nfs/dbraw/zinc/15/13/48/323151348.db2.gz MLGTVYQFLWROLR-SECBINFHSA-N 1 0 202.298 0.431 20 70 BCIDRO O=C(COCC1CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160481242 348751150 /nfs/dbraw/zinc/75/11/50/348751150.db2.gz VFELKPUAXJJLCR-TXEJJXNPSA-N 1 0 238.331 0.766 20 70 BCIDRO CCOC(=O)CCN(C)[C@H]1CC[NH2+]C1 ZINC000218257180 351461585 /nfs/dbraw/zinc/46/15/85/351461585.db2.gz VBFBFEPXSLNFDG-VIFPVBQESA-N 1 0 200.282 0.233 20 70 BCIDRO Cc1n[nH]cc1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000218282221 363129294 /nfs/dbraw/zinc/12/92/94/363129294.db2.gz USERJBVATBWSPZ-SCZZXKLOSA-N 1 0 220.276 0.152 20 70 BCIDRO CN(C)C(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161315749 538111620 /nfs/dbraw/zinc/11/16/20/538111620.db2.gz XTGNGQFYESRRFT-UHFFFAOYSA-N 1 0 248.330 0.292 20 70 BCIDRO CC(=O)c1cnc(NC(=O)[C@@H]2CC[NH2+]C2)s1 ZINC000159509895 188334576 /nfs/dbraw/zinc/33/45/76/188334576.db2.gz BPPIKWJGQCIKFH-SSDOTTSWSA-N 1 0 239.300 0.894 20 70 BCIDRO CC(C)C[NH+]1CCN(C[C@@H](C)CO)CC1 ZINC000160904755 538456184 /nfs/dbraw/zinc/45/61/84/538456184.db2.gz HPNCBJCREORRDN-GFCCVEGCSA-N 1 0 214.353 0.888 20 70 BCIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cncnc1 ZINC000159507885 538877873 /nfs/dbraw/zinc/87/78/73/538877873.db2.gz AYIHJDKBZFXSHL-MWLCHTKSSA-N 1 0 234.303 0.562 20 70 BCIDRO CC[C@@H](CSC)[NH2+]C[C@H](O)COC ZINC000217330592 357840405 /nfs/dbraw/zinc/84/04/05/357840405.db2.gz UCMJCQSHKGTEDY-IUCAKERBSA-N 1 0 207.339 0.725 20 70 BCIDRO COC(=O)CC[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000159386097 361232669 /nfs/dbraw/zinc/23/26/69/361232669.db2.gz ZVZJUUWCVXCTMY-VHSXEESVSA-N 1 0 215.293 0.785 20 70 BCIDRO CCCS(=O)(=O)NCC1(C)CC[NH2+]CC1 ZINC000159997911 361297571 /nfs/dbraw/zinc/29/75/71/361297571.db2.gz APICIEBMROWJJJ-UHFFFAOYSA-N 1 0 234.365 0.706 20 70 BCIDRO C[C@H](O)CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000159564307 361255413 /nfs/dbraw/zinc/25/54/13/361255413.db2.gz OGUROWWFYZHMRN-GXSJLCMTSA-N 1 0 214.309 0.406 20 70 BCIDRO [NH3+]CC(=O)NC[C@@H]1CCc2ccccc21 ZINC000159727368 181351674 /nfs/dbraw/zinc/35/16/74/181351674.db2.gz KAKCTKQIWIKXAV-JTQLQIEISA-N 1 0 204.273 0.791 20 70 BCIDRO CCCC[C@H](COC)NC(=O)[C@@H](C)[NH3+] ZINC000161165159 169003061 /nfs/dbraw/zinc/00/30/61/169003061.db2.gz KJOGZEUCAVLDGE-RKDXNWHRSA-N 1 0 202.298 0.655 20 70 BCIDRO O[C@@H]1CCOC[C@H]1Nc1ncnc2[nH]ccc21 ZINC000217367798 183201948 /nfs/dbraw/zinc/20/19/48/183201948.db2.gz YFWAXRFEOLZRAS-RKDXNWHRSA-N 1 0 234.259 0.520 20 70 BCIDRO CCCNC(=O)CCCC(=O)N1CC[C@@H]([NH3+])C1 ZINC000160306178 169214772 /nfs/dbraw/zinc/21/47/72/169214772.db2.gz DTYSPEGXRAJWTC-SNVBAGLBSA-N 1 0 241.335 0.243 20 70 BCIDRO CCCS(=O)(=O)NCC1=CC[NH2+]CC1 ZINC000160518455 169331658 /nfs/dbraw/zinc/33/16/58/169331658.db2.gz DOFZYLCFNIBCIG-UHFFFAOYSA-N 1 0 218.322 0.236 20 70 BCIDRO C[C@@H]([NH3+])C(=O)NCc1ncc(C(C)(C)C)o1 ZINC000160637787 384426993 /nfs/dbraw/zinc/42/69/93/384426993.db2.gz XXMDXMKGYNNANZ-SSDOTTSWSA-N 1 0 225.292 0.936 20 70 BCIDRO CC(=O)NCCCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000161384047 384988132 /nfs/dbraw/zinc/98/81/32/384988132.db2.gz HRBAHAJQBMVNDL-LBPRGKRZSA-N 1 0 241.335 0.019 20 70 BCIDRO C[C@@H]([NH3+])C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000161106253 385448794 /nfs/dbraw/zinc/44/87/94/385448794.db2.gz IBQVBHJCRMRAIH-XAVMHZPKSA-N 1 0 212.293 0.263 20 70 BCIDRO CC[C@@H](C(=O)N[C@@H]1CCN(C(C)=O)C1)[NH+](C)C ZINC000159491908 386458978 /nfs/dbraw/zinc/45/89/78/386458978.db2.gz KTGIFPRLOKKALK-MNOVXSKESA-N 1 0 241.335 0.064 20 70 BCIDRO Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)[nH]n1 ZINC000160303824 386545402 /nfs/dbraw/zinc/54/54/02/386545402.db2.gz QLZIRHTXWQEYLH-AOOOYVTPSA-N 1 0 234.303 0.685 20 70 BCIDRO CCS(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000161245540 386799351 /nfs/dbraw/zinc/79/93/51/386799351.db2.gz OGBGZMDUDHJYDZ-SECBINFHSA-N 1 0 222.354 0.641 20 70 BCIDRO COCc1ccc(CN2CCC[C@@H]2C(N)=O)o1 ZINC000160311016 387080050 /nfs/dbraw/zinc/08/00/50/387080050.db2.gz BZGICTNCWOBEAY-LLVKDONJSA-N 1 0 238.287 0.876 20 70 BCIDRO CCC([NH3+])(CC)CNC(=O)Cc1cnn(C)c1 ZINC000160418704 387088741 /nfs/dbraw/zinc/08/87/41/387088741.db2.gz NOEJRKPMURVLOT-UHFFFAOYSA-N 1 0 238.335 0.596 20 70 BCIDRO CC[C@@H](C)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160569867 387103719 /nfs/dbraw/zinc/10/37/19/387103719.db2.gz UEGBUQBEMQCRLT-LLVKDONJSA-N 1 0 242.363 0.853 20 70 BCIDRO CC(C)C[C@H]1COCCN1C(=O)[C@H](C)[NH3+] ZINC000159629282 134783861 /nfs/dbraw/zinc/78/38/61/134783861.db2.gz PTFOPGHVJZZTNE-UWVGGRQHSA-N 1 0 214.309 0.607 20 70 BCIDRO CC[C@@](C)(O)C[N@@H+]1CCCN(C(N)=O)CC1 ZINC000160840022 387964006 /nfs/dbraw/zinc/96/40/06/387964006.db2.gz QHNNSDOAGSHZOD-LLVKDONJSA-N 1 0 229.324 0.234 20 70 BCIDRO CCCC[C@@H](COC)NC(=O)C[NH2+]C ZINC000159650840 388024989 /nfs/dbraw/zinc/02/49/89/388024989.db2.gz JDTNNNSEHGPIPL-VIFPVBQESA-N 1 0 202.298 0.527 20 70 BCIDRO CN(C)c1ncccc1C(=O)NCC(C)(C)[NH3+] ZINC000159993194 388041678 /nfs/dbraw/zinc/04/16/78/388041678.db2.gz BFSBTLGPPIUXFE-UHFFFAOYSA-N 1 0 236.319 0.615 20 70 BCIDRO CCC(CC)[C@H](O)CNC(=O)[C@H](C)[NH3+] ZINC000159758698 388029168 /nfs/dbraw/zinc/02/91/68/388029168.db2.gz XXCMAIQIBKHFJW-IONNQARKSA-N 1 0 202.298 0.247 20 70 BCIDRO O=C(C[NH2+][C@@H]1CCSC1)NCC(F)(F)F ZINC000160529307 388073653 /nfs/dbraw/zinc/07/36/53/388073653.db2.gz NTOZUNXKPLXFDI-ZCFIWIBFSA-N 1 0 242.266 0.760 20 70 BCIDRO CCc1nnc(C[NH2+][C@@H](COC)C2CC2)[nH]1 ZINC000160625979 388079386 /nfs/dbraw/zinc/07/93/86/388079386.db2.gz XEIWXIMFROVSBO-VIFPVBQESA-N 1 0 224.308 0.882 20 70 BCIDRO CSCC[C@@H]([NH3+])C(=O)N(C)CC[C@@H](C)O ZINC000160923594 388100758 /nfs/dbraw/zinc/10/07/58/388100758.db2.gz AXCVCDRPBBYFFB-RKDXNWHRSA-N 1 0 234.365 0.296 20 70 BCIDRO CO[C@H](C)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000160924710 388102891 /nfs/dbraw/zinc/10/28/91/388102891.db2.gz CKSQEQLYYHSDHX-IVZWLZJFSA-N 1 0 214.309 0.526 20 70 BCIDRO c1nnc2n1CCN(CCC[NH+]1CCCCC1)C2 ZINC000160969825 388107237 /nfs/dbraw/zinc/10/72/37/388107237.db2.gz XIPVBBKJYXVDCY-UHFFFAOYSA-N 1 0 249.362 0.970 20 70 BCIDRO Cc1c(C[NH2+][C@@H](C)[C@@H](C)CO)cnn1C ZINC000160154450 388047399 /nfs/dbraw/zinc/04/73/99/388047399.db2.gz BBHMAZVJHWCFIC-IUCAKERBSA-N 1 0 211.309 0.835 20 70 BCIDRO CC[C@@H](CCO)[NH2+]C[C@@H](O)COC(C)C ZINC000217854431 256754958 /nfs/dbraw/zinc/75/49/58/256754958.db2.gz IPAVAOLYNBRFCS-WDEREUQCSA-N 1 0 219.325 0.523 20 70 BCIDRO CSC[C@](C)(O)C[NH2+]Cc1c[nH]nc1C ZINC000217858007 388573245 /nfs/dbraw/zinc/57/32/45/388573245.db2.gz LLVGVDMSBPTDBH-SNVBAGLBSA-N 1 0 229.349 0.922 20 70 BCIDRO CSC[C@@](C)(O)C[NH2+]Cc1c[nH]nc1C ZINC000217857934 388573522 /nfs/dbraw/zinc/57/35/22/388573522.db2.gz LLVGVDMSBPTDBH-JTQLQIEISA-N 1 0 229.349 0.922 20 70 BCIDRO CC[C@H](CCO)[NH2+]C[C@@H](O)COC(C)C ZINC000217854497 388574019 /nfs/dbraw/zinc/57/40/19/388574019.db2.gz IPAVAOLYNBRFCS-GHMZBOCLSA-N 1 0 219.325 0.523 20 70 BCIDRO C[C@@H](C(=O)NC1CC1)N1CCC[C@@H]([NH3+])C1 ZINC000217529217 134248492 /nfs/dbraw/zinc/24/84/92/134248492.db2.gz AASLYYGOIAFZPA-DTWKUNHWSA-N 1 0 211.309 0.077 20 70 BCIDRO Cn1cnc(CNC(=[NH2+])NC(C)(C)C)n1 ZINC000218733618 134259766 /nfs/dbraw/zinc/25/97/66/134259766.db2.gz BJJTYXZQNWMMSM-UHFFFAOYSA-N 1 0 210.285 0.228 20 70 BCIDRO C[N@H+](C[C@H]1CCCOC1)CC1(O)CCOCC1 ZINC000160097778 397949824 /nfs/dbraw/zinc/94/98/24/397949824.db2.gz YKRNGSNKMXPBQY-GFCCVEGCSA-N 1 0 243.347 0.886 20 70 BCIDRO CC1(NC(=O)[C@H]2CCOC2)CC[NH2+]CC1 ZINC000160573113 168059746 /nfs/dbraw/zinc/05/97/46/168059746.db2.gz GEZYTMMYGWHRMA-VIFPVBQESA-N 1 0 212.293 0.281 20 70 BCIDRO CCOC(=O)[C@H](C)CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000160802403 170264757 /nfs/dbraw/zinc/26/47/57/170264757.db2.gz IXJQXHAPGLXDCV-ZJUUUORDSA-N 1 0 242.319 0.301 20 70 BCIDRO Cc1noc(CN2CC[C@@H]([NH3+])C[C@H]2C)n1 ZINC000218610193 411942042 /nfs/dbraw/zinc/94/20/42/411942042.db2.gz LVYMKIRHNQKENC-VXNVDRBHSA-N 1 0 210.281 0.690 20 70 BCIDRO CC[C@@](C)(O)C[N@H+](C)CC(=O)NC1CC1 ZINC000160484875 171179160 /nfs/dbraw/zinc/17/91/60/171179160.db2.gz VGEKMGDFIACYSS-LLVKDONJSA-N 1 0 214.309 0.358 20 70 BCIDRO CC[C@H](C)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160569985 171249956 /nfs/dbraw/zinc/24/99/56/171249956.db2.gz UEGBUQBEMQCRLT-NSHDSACASA-N 1 0 242.363 0.853 20 70 BCIDRO CN(C)c1ccc(C(=O)NCC(C)(C)[NH3+])cn1 ZINC000160020413 172550285 /nfs/dbraw/zinc/55/02/85/172550285.db2.gz XILGOGPUWAANHX-UHFFFAOYSA-N 1 0 236.319 0.615 20 70 BCIDRO Cn1cncc1C[NH2+]C[C@@H]1CCCN1C ZINC000218140686 173057380 /nfs/dbraw/zinc/05/73/80/173057380.db2.gz SUIIPSABSFOAQF-JTQLQIEISA-N 1 0 208.309 0.604 20 70 BCIDRO CN1CCC[C@H]1C[NH2+]Cc1ccnn1C ZINC000218235203 173057517 /nfs/dbraw/zinc/05/75/17/173057517.db2.gz CATBFVAFYZVZKH-JTQLQIEISA-N 1 0 208.309 0.604 20 70 BCIDRO C[C@H](OC[C@H]1CCCCO1)C(=O)NCCC[NH3+] ZINC000160171655 177020805 /nfs/dbraw/zinc/02/08/05/177020805.db2.gz LXGRRABCCSAENX-WDEREUQCSA-N 1 0 244.335 0.426 20 70 BCIDRO C[C@H]1CC[C@H](CCC(=O)NCCC[NH3+])O1 ZINC000160111900 177200810 /nfs/dbraw/zinc/20/08/10/177200810.db2.gz NUZBSHGNPVMNEG-VHSXEESVSA-N 1 0 214.309 0.799 20 70 BCIDRO CC(=O)N[C@H]1CC[N@H+](CCC(C)(C)O)C1 ZINC000160320262 487777445 /nfs/dbraw/zinc/77/74/45/487777445.db2.gz MGLDZQHSSVVQFF-JTQLQIEISA-N 1 0 214.309 0.358 20 70 BCIDRO CCOC(=O)CCC[N@H+](C)CC(C)(CO)CO ZINC000159545506 323036140 /nfs/dbraw/zinc/03/61/40/323036140.db2.gz STAGKIQHOTZDRL-UHFFFAOYSA-N 1 0 247.335 0.252 20 70 BCIDRO Cc1ccc(C[N@@H+]2CC[C@H](C(N)=O)C2)nc1 ZINC000159864601 323050985 /nfs/dbraw/zinc/05/09/85/323050985.db2.gz NLAQZZVEKRGGED-JTQLQIEISA-N 1 0 219.288 0.697 20 70 BCIDRO CC[C@@H](C)OCC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000160101750 323060690 /nfs/dbraw/zinc/06/06/90/323060690.db2.gz YFYVFVGRAULNOQ-MNOVXSKESA-N 1 0 228.336 0.869 20 70 BCIDRO CC(C)([NH3+])CNC(=O)CCn1ccccc1=O ZINC000160110842 488107281 /nfs/dbraw/zinc/10/72/81/488107281.db2.gz IRFLNWNHZIAPIY-UHFFFAOYSA-N 1 0 237.303 0.092 20 70 BCIDRO Cn1nccc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161501650 487501093 /nfs/dbraw/zinc/50/10/93/487501093.db2.gz QNANSLMYNOAMSL-RKDXNWHRSA-N 1 0 222.292 0.420 20 70 BCIDRO Cc1cnccc1CNC(=O)C1([NH3+])CC1 ZINC000160614195 488148083 /nfs/dbraw/zinc/14/80/83/488148083.db2.gz WFCGRCVLEWRKGE-UHFFFAOYSA-N 1 0 205.261 0.498 20 70 BCIDRO CCNC(=O)C[NH2+]Cc1ccncc1C ZINC000160609388 488148280 /nfs/dbraw/zinc/14/82/80/488148280.db2.gz BTYGKHKJDVRSLW-UHFFFAOYSA-N 1 0 207.277 0.616 20 70 BCIDRO CCO[C@H](C)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160875299 488174625 /nfs/dbraw/zinc/17/46/25/488174625.db2.gz RYZIHQHUMPZJAA-UTLUCORTSA-N 1 0 214.309 0.798 20 70 BCIDRO CCOCC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000159965662 535417355 /nfs/dbraw/zinc/41/73/55/535417355.db2.gz GPHOGSTZCUDRSN-LLVKDONJSA-N 1 0 214.309 0.529 20 70 BCIDRO CCOC(=O)[C@H](C)N1CC[NH2+][C@@H](C)C1 ZINC000159582942 535625113 /nfs/dbraw/zinc/62/51/13/535625113.db2.gz VUKXCRFVTCRFJE-IUCAKERBSA-N 1 0 200.282 0.232 20 70 BCIDRO CN1CC[C@@H]([N@H+](C)CCCCCO)C1=O ZINC000217935225 536333805 /nfs/dbraw/zinc/33/38/05/536333805.db2.gz SDAPTKBDLPNFNQ-SNVBAGLBSA-N 1 0 214.309 0.312 20 70 BCIDRO CC[C@@H](CSC)[NH2+]CCS(C)(=O)=O ZINC000217330146 582816686 /nfs/dbraw/zinc/81/66/86/582816686.db2.gz FDYNJSXGGPHXOU-QMMMGPOBSA-N 1 0 225.379 0.762 20 70 BCIDRO C/C=C\C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000217210645 584911606 /nfs/dbraw/zinc/91/16/06/584911606.db2.gz XCZPKEMPYDTTNV-PLNGDYQASA-N 1 0 226.320 0.478 20 70 BCIDRO CCc1nn(C)cc1C[NH2+]C1(CO)CC1 ZINC000161399382 538915582 /nfs/dbraw/zinc/91/55/82/538915582.db2.gz PFZIATLVPYLYID-UHFFFAOYSA-N 1 0 209.293 0.597 20 70 BCIDRO C[C@@H](CO)CSc1nc(N)cc(N)[nH+]1 ZINC000160820957 538912721 /nfs/dbraw/zinc/91/27/21/538912721.db2.gz MMBNBNJXSZJBMK-YFKPBYRVSA-N 1 0 214.294 0.362 20 70 BCIDRO C[N@H+](C[C@@H](O)C1CC1)CC1(O)CCOCC1 ZINC000160808983 538912898 /nfs/dbraw/zinc/91/28/98/538912898.db2.gz WWTNZXSYEKPIHX-LLVKDONJSA-N 1 0 229.320 0.231 20 70 BCIDRO CCC(CC)(C[NH3+])C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000161160048 168321171 /nfs/dbraw/zinc/32/11/71/168321171.db2.gz DWZAFBVNKLQKCM-GHMZBOCLSA-N 1 0 241.379 0.960 20 70 BCIDRO CC[C@@H](C)NC(=O)CN1CC[NH2+][C@@H](C)C1 ZINC000159585191 136214412 /nfs/dbraw/zinc/21/44/12/136214412.db2.gz UDNNUEHKLPVYHU-ZJUUUORDSA-N 1 0 213.325 0.195 20 70 BCIDRO CCOCCC[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000160452809 259301097 /nfs/dbraw/zinc/30/10/97/259301097.db2.gz VCXXBEVAEXFVHA-NSHDSACASA-N 1 0 228.336 0.869 20 70 BCIDRO CN(CC(=O)OC(C)(C)C)CC(C)(CO)CO ZINC000159515426 323024122 /nfs/dbraw/zinc/02/41/22/323024122.db2.gz KZVRAEVEDUMRKC-UHFFFAOYSA-N 1 0 247.335 0.251 20 70 BCIDRO CSCCN(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000159595673 343202349 /nfs/dbraw/zinc/20/23/49/343202349.db2.gz PTOCZCVDLUWAHI-RKDXNWHRSA-N 1 0 216.350 0.663 20 70 BCIDRO CSCCN(C)C(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000160009931 343203159 /nfs/dbraw/zinc/20/31/59/343203159.db2.gz FHATUBGYWJAANV-RKDXNWHRSA-N 1 0 216.350 0.806 20 70 BCIDRO CCCNS(=O)(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000160947184 343204021 /nfs/dbraw/zinc/20/40/21/343204021.db2.gz ADCXOPVAAPMRCS-DTWKUNHWSA-N 1 0 235.353 0.042 20 70 BCIDRO CN(C)C1(C[NH2+]CCC(N)=O)CCCC1 ZINC000160900078 343204197 /nfs/dbraw/zinc/20/41/97/343204197.db2.gz FCYUWPUASZMEMR-UHFFFAOYSA-N 1 0 213.325 0.326 20 70 BCIDRO CC(C)NS(=O)(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000160948740 343204236 /nfs/dbraw/zinc/20/42/36/343204236.db2.gz UAZPDBPLLUPWMU-IUCAKERBSA-N 1 0 235.353 0.041 20 70 BCIDRO CC[C@@H](COC)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000160542207 133508388 /nfs/dbraw/zinc/50/83/88/133508388.db2.gz ABFBLLHIHDPSAC-WDEREUQCSA-N 1 0 238.335 0.916 20 70 BCIDRO Cc1nn(C)cc1C[NH2+][C@@H](C)[C@@H](C)CO ZINC000160153400 187358297 /nfs/dbraw/zinc/35/82/97/187358297.db2.gz PQROCBTWNQNALV-IUCAKERBSA-N 1 0 211.309 0.835 20 70 BCIDRO COCC[N@H+](C)CCNC(=O)NC1(C)CCC1 ZINC000160572627 323072754 /nfs/dbraw/zinc/07/27/54/323072754.db2.gz SJBYIWMEXLSUIV-UHFFFAOYSA-N 1 0 243.351 0.806 20 70 BCIDRO CC(C)CC(=O)NCC1CC[NH+](CCO)CC1 ZINC000160696636 187359270 /nfs/dbraw/zinc/35/92/70/187359270.db2.gz LVDJHLWCINECLE-UHFFFAOYSA-N 1 0 242.363 0.853 20 70 BCIDRO C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCOC1 ZINC000159424352 345433806 /nfs/dbraw/zinc/43/38/06/345433806.db2.gz NZLLOFUYVVACHJ-NXEZZACHSA-N 1 0 229.324 0.415 20 70 BCIDRO CC1(C)[C@H](NC(=O)C2([NH3+])CC2)[C@H]2CCO[C@@H]21 ZINC000159539233 345441602 /nfs/dbraw/zinc/44/16/02/345441602.db2.gz ICRRUAFBOTXJBB-HLTSFMKQSA-N 1 0 224.304 0.407 20 70 BCIDRO CC[C@H](C)[C@@H](O)CNC(=O)[C@@H]([NH3+])CCSC ZINC000159817407 345556672 /nfs/dbraw/zinc/55/66/72/345556672.db2.gz ZJCKRIDUGOEVPG-GUBZILKMSA-N 1 0 248.392 0.590 20 70 BCIDRO Cc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[nH]n1 ZINC000216971054 345744306 /nfs/dbraw/zinc/74/43/06/345744306.db2.gz NCKMXCXMTOXHJH-SCZZXKLOSA-N 1 0 220.276 0.152 20 70 BCIDRO CC(C)S(=O)(=O)CCCN1CC[C@@H]([NH3+])C1 ZINC000216879592 345744567 /nfs/dbraw/zinc/74/45/67/345744567.db2.gz POQAHFHSZASNKT-SNVBAGLBSA-N 1 0 234.365 0.233 20 70 BCIDRO CC(C)S(=O)(=O)CCCN1CCC[C@H]([NH3+])C1 ZINC000217937817 345744601 /nfs/dbraw/zinc/74/46/01/345744601.db2.gz QERMIRKEFRPCGW-NSHDSACASA-N 1 0 248.392 0.623 20 70 BCIDRO CSCCN(C)C(=O)C[C@H]1CCC[NH2+]1 ZINC000159999595 345781450 /nfs/dbraw/zinc/78/14/50/345781450.db2.gz DMHKNCXWAJJXBI-SECBINFHSA-N 1 0 216.350 0.950 20 70 BCIDRO CC[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000161038610 346473626 /nfs/dbraw/zinc/47/36/26/346473626.db2.gz QEJXTPSDNYSXAC-NXEZZACHSA-N 1 0 213.325 0.324 20 70 BCIDRO CC(C)[C@@H](O)CCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000160898801 349336255 /nfs/dbraw/zinc/33/62/55/349336255.db2.gz OBQIALYKXLEFNK-QWRGUYRKSA-N 1 0 228.336 0.509 20 70 BCIDRO CC[N@@H+]1CC[C@@H](NCC(=O)NC(C)C)[C@H](C)C1 ZINC000160930383 349345454 /nfs/dbraw/zinc/34/54/54/349345454.db2.gz KYRHHKKILKPISR-VXGBXAGGSA-N 1 0 241.379 0.831 20 70 BCIDRO Cc1nn(C)cc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160638637 180369380 /nfs/dbraw/zinc/36/93/80/180369380.db2.gz UIOSBXMTMWLNOF-PHIMTYICSA-N 1 0 248.330 0.695 20 70 BCIDRO CCC([NH3+])(CC)CNC(=O)C1(C(=O)NC)CC1 ZINC000160465811 353264688 /nfs/dbraw/zinc/26/46/88/353264688.db2.gz AEEMSDADPCOGAI-UHFFFAOYSA-N 1 0 241.335 0.146 20 70 BCIDRO CC(C)C[C@H](C[NH3+])NS(=O)(=O)NC(C)C ZINC000160866911 188334985 /nfs/dbraw/zinc/33/49/85/188334985.db2.gz YPQLPVMDGNECGZ-SECBINFHSA-N 1 0 237.369 0.192 20 70 BCIDRO CCNS(=O)(=O)NC1(C[NH3+])CCCCC1 ZINC000160121978 356339162 /nfs/dbraw/zinc/33/91/62/356339162.db2.gz BTNZUIRRSMKBQA-UHFFFAOYSA-N 1 0 235.353 0.092 20 70 BCIDRO CC(C)OCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000159777047 538879144 /nfs/dbraw/zinc/87/91/44/538879144.db2.gz PLFNKTYXCVAIDB-JTQLQIEISA-N 1 0 214.309 0.622 20 70 BCIDRO C[C@@H](C(=O)N[C@@H]1c2ccccc2C[C@H]1O)[NH+](C)C ZINC000159895329 538880236 /nfs/dbraw/zinc/88/02/36/538880236.db2.gz QSTYBKZGFSQQGR-ZWKOPEQDSA-N 1 0 248.326 0.711 20 70 BCIDRO CCC[C@H](O)C[NH2+]C[C@H](O)C(F)(F)F ZINC000217917830 357917412 /nfs/dbraw/zinc/91/74/12/357917412.db2.gz YGOIIZWKXUTYTN-BQBZGAKWSA-N 1 0 215.215 0.660 20 70 BCIDRO CCN(CC[NH2+][C@H](C)[C@@H](C)O)C1CC1 ZINC000218329584 357923783 /nfs/dbraw/zinc/92/37/83/357923783.db2.gz LVFMEGDWZMWUJQ-NXEZZACHSA-N 1 0 200.326 0.830 20 70 BCIDRO CCCNC(=O)[C@@H](C)N1CCC[C@@H]([NH3+])C1 ZINC000217527500 134248277 /nfs/dbraw/zinc/24/82/77/134248277.db2.gz WPXAJPDJRGLYRD-NXEZZACHSA-N 1 0 213.325 0.324 20 70 BCIDRO [NH3+]C1(C(=O)NC[C@@H](O)c2ccsc2)CC1 ZINC000160440789 181326556 /nfs/dbraw/zinc/32/65/56/181326556.db2.gz LWOAOZRKWMDKEZ-MRVPVSSYSA-N 1 0 226.301 0.389 20 70 BCIDRO CC[N@H+](CCCO)[C@H](C)C(=O)N(C)C ZINC000160725623 361325601 /nfs/dbraw/zinc/32/56/01/361325601.db2.gz YLHQHFNPDDRNOD-SECBINFHSA-N 1 0 202.298 0.167 20 70 BCIDRO O=C(NCC1=CC[NH2+]CC1)c1ccn[nH]1 ZINC000160510971 182135557 /nfs/dbraw/zinc/13/55/57/182135557.db2.gz XSUHFFOFZFYHFF-UHFFFAOYSA-N 1 0 206.249 0.059 20 70 BCIDRO CC[N@H+](C)CCNC(=O)N[C@@H]1CCOC1 ZINC000159537393 206091134 /nfs/dbraw/zinc/09/11/34/206091134.db2.gz NBCSLIWBWDAPAF-SECBINFHSA-N 1 0 215.297 0.026 20 70 BCIDRO Cc1n[nH]cc1C[NH+]1CCC(CC(N)=O)CC1 ZINC000159840694 384363291 /nfs/dbraw/zinc/36/32/91/384363291.db2.gz GMHUXFLYGVEVFT-UHFFFAOYSA-N 1 0 236.319 0.806 20 70 BCIDRO CCCC(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000161044985 384402027 /nfs/dbraw/zinc/40/20/27/384402027.db2.gz GIWYQHYNXJYMKF-UWVGGRQHSA-N 1 0 214.309 0.751 20 70 BCIDRO CO[C@H](C)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000160937310 384860869 /nfs/dbraw/zinc/86/08/69/384860869.db2.gz FUJFKSSJJFZSAP-BBBLOLIVSA-N 1 0 214.309 0.607 20 70 BCIDRO CO[C@@H](C)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000160943739 385311386 /nfs/dbraw/zinc/31/13/86/385311386.db2.gz FUVNLFDFIGDACG-QMMMGPOBSA-N 1 0 202.298 0.465 20 70 BCIDRO CCCCC(=O)NCC1CC[NH+](CCO)CC1 ZINC000160674175 385701471 /nfs/dbraw/zinc/70/14/71/385701471.db2.gz DZNYKEAGXJRVEF-UHFFFAOYSA-N 1 0 242.363 0.997 20 70 BCIDRO CC(=O)N(C)c1cccc(NC(=O)[C@@H](C)[NH3+])c1 ZINC000161387319 385939820 /nfs/dbraw/zinc/93/98/20/385939820.db2.gz FSWNBUQTXINBGH-MRVPVSSYSA-N 1 0 235.287 0.955 20 70 BCIDRO C[C@@H]([NH3+])C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000160045525 387042016 /nfs/dbraw/zinc/04/20/16/387042016.db2.gz JDDIDTVFXRZBGP-SECBINFHSA-N 1 0 241.335 0.098 20 70 BCIDRO CC[C@](C)(O)C[N@H+](C)CC(=O)NC1CC1 ZINC000160484756 387097334 /nfs/dbraw/zinc/09/73/34/387097334.db2.gz VGEKMGDFIACYSS-NSHDSACASA-N 1 0 214.309 0.358 20 70 BCIDRO C[N@@H+]1CCN(C(=O)N[C@@H]2CCOC2)CC1(C)C ZINC000160574268 387105363 /nfs/dbraw/zinc/10/53/63/387105363.db2.gz SGAZXWPVIQEZDA-SNVBAGLBSA-N 1 0 241.335 0.511 20 70 BCIDRO CC[C@@H](C)[C@H](O)CNC(=O)[C@@H]([NH3+])CC ZINC000159819592 388031037 /nfs/dbraw/zinc/03/10/37/388031037.db2.gz XOBLRGBICQFXJZ-HRDYMLBCSA-N 1 0 202.298 0.247 20 70 BCIDRO CO[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160469824 388068959 /nfs/dbraw/zinc/06/89/59/388068959.db2.gz GQPHVGXEBFZQTG-BBBLOLIVSA-N 1 0 212.293 0.374 20 70 BCIDRO CCOCCC[N@@H+]1CCNC(=O)CC1 ZINC000160474010 388070790 /nfs/dbraw/zinc/07/07/90/388070790.db2.gz HBIFXFHBVSVTFR-UHFFFAOYSA-N 1 0 200.282 0.235 20 70 BCIDRO C[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)C[C@H](C)O ZINC000160570638 388076327 /nfs/dbraw/zinc/07/63/27/388076327.db2.gz PYEJAIWKARGOHI-KXUCPTDWSA-N 1 0 230.352 0.883 20 70 BCIDRO COC(=O)[C@H](C)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000160603671 388077971 /nfs/dbraw/zinc/07/79/71/388077971.db2.gz PACGEABSSVQHPJ-VGMNWLOBSA-N 1 0 200.282 0.217 20 70 BCIDRO CCc1nnc(C[NH2+][C@H](COC)C2CC2)[nH]1 ZINC000160626111 388079435 /nfs/dbraw/zinc/07/94/35/388079435.db2.gz XEIWXIMFROVSBO-SECBINFHSA-N 1 0 224.308 0.882 20 70 BCIDRO CC(C)[C@@H](O)CCNC(=O)C(C)(C)[NH3+] ZINC000160897287 388098870 /nfs/dbraw/zinc/09/88/70/388098870.db2.gz CEAAGGGXPDVESR-QMMMGPOBSA-N 1 0 202.298 0.247 20 70 BCIDRO CC(C)[C@H](O)CCNC(=O)C(C)(C)[NH3+] ZINC000160897166 388099309 /nfs/dbraw/zinc/09/93/09/388099309.db2.gz CEAAGGGXPDVESR-MRVPVSSYSA-N 1 0 202.298 0.247 20 70 BCIDRO CO[C@H](C)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000160934517 388103476 /nfs/dbraw/zinc/10/34/76/388103476.db2.gz RUKQLCXKISJAJH-XCBNKYQSSA-N 1 0 200.282 0.265 20 70 BCIDRO CO[C@H](C)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000160943878 388104683 /nfs/dbraw/zinc/10/46/83/388104683.db2.gz FUVNLFDFIGDACG-MRVPVSSYSA-N 1 0 202.298 0.465 20 70 BCIDRO CCC(CC)NC(=O)NCCN1CC[NH2+]CC1 ZINC000217304943 388569826 /nfs/dbraw/zinc/56/98/26/388569826.db2.gz KVKPNAAYZHBCRP-UHFFFAOYSA-N 1 0 242.367 0.379 20 70 BCIDRO C/C=C/C=C\C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000218320533 388581089 /nfs/dbraw/zinc/58/10/89/388581089.db2.gz LODUIFHWQYUBNW-SEWNBSHPSA-N 1 0 206.289 0.797 20 70 BCIDRO CCS(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217892204 134250623 /nfs/dbraw/zinc/25/06/23/134250623.db2.gz JAMZNOLCJLFGNK-ZJUUUORDSA-N 1 0 232.349 0.553 20 70 BCIDRO OC[C@H](O)C[NH2+]C/C=C\c1ccccc1 ZINC000218152909 134251430 /nfs/dbraw/zinc/25/14/30/134251430.db2.gz MTPZYZIVHNJRDE-DJFZKKHWSA-N 1 0 207.273 0.643 20 70 BCIDRO CC[C@H]([NH3+])C(=O)N[C@H](C)c1cnn(C)c1 ZINC000159583156 397948297 /nfs/dbraw/zinc/94/82/97/397948297.db2.gz MIZPEEGQGPUMSR-APPZFPTMSA-N 1 0 210.281 0.335 20 70 BCIDRO O=C([C@H]1CCCS1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000216991010 398088328 /nfs/dbraw/zinc/08/83/28/398088328.db2.gz QSRVSHRWHOYYBP-KXUCPTDWSA-N 1 0 226.345 0.702 20 70 BCIDRO CC[C@@H](CCO)[NH2+]Cc1ncnn1CC ZINC000217800011 411547976 /nfs/dbraw/zinc/54/79/76/411547976.db2.gz HMFBMRMGZJFAKB-VIFPVBQESA-N 1 0 212.297 0.549 20 70 BCIDRO CCOC(=O)CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000160613090 170220657 /nfs/dbraw/zinc/22/06/57/170220657.db2.gz BKHMNGAAFPBPON-RKDXNWHRSA-N 1 0 200.282 0.219 20 70 BCIDRO CCOC(=O)[C@@H](C)CNC(=O)CCC[NH3+] ZINC000160803343 170245558 /nfs/dbraw/zinc/24/55/58/170245558.db2.gz KBDAECCHYLFJLT-QMMMGPOBSA-N 1 0 216.281 0.041 20 70 BCIDRO CC[C@](C)(O)C[N@@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000160716087 171700468 /nfs/dbraw/zinc/70/04/68/171700468.db2.gz CMYJZQPWKDHHNT-OLZOCXBDSA-N 1 0 242.363 0.996 20 70 BCIDRO C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O ZINC000160871352 173374783 /nfs/dbraw/zinc/37/47/83/173374783.db2.gz SYSNYAGFTIVXDF-LPEHRKFASA-N 1 0 241.335 0.002 20 70 BCIDRO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)OC)C1 ZINC000160916125 173378928 /nfs/dbraw/zinc/37/89/28/173378928.db2.gz JJNMMFRDZCPNMA-NXEZZACHSA-N 1 0 214.309 0.479 20 70 BCIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Oc2cccnc2)C1 ZINC000160723330 173435312 /nfs/dbraw/zinc/43/53/12/173435312.db2.gz NSCFIACDWXQCNL-GHMZBOCLSA-N 1 0 249.314 0.669 20 70 BCIDRO COC(C)(C)C[C@@H](C)NC(=O)C1([NH3+])CC1 ZINC000160964648 173944775 /nfs/dbraw/zinc/94/47/75/173944775.db2.gz CUFCBKXYVPXDEH-MRVPVSSYSA-N 1 0 214.309 0.798 20 70 BCIDRO CO[C@H](C)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000160937704 174802998 /nfs/dbraw/zinc/80/29/98/174802998.db2.gz OJQWBXYQKRYIEX-BBBLOLIVSA-N 1 0 214.309 0.607 20 70 BCIDRO CO[C@H](C)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000160924956 174806571 /nfs/dbraw/zinc/80/65/71/174806571.db2.gz CKSQEQLYYHSDHX-AEJSXWLSSA-N 1 0 214.309 0.526 20 70 BCIDRO C[NH+](C)CCCNC(=O)N[C@@H]1CCOC1 ZINC000159533565 487773039 /nfs/dbraw/zinc/77/30/39/487773039.db2.gz HNMPLKCBFFWPDA-SECBINFHSA-N 1 0 215.297 0.026 20 70 BCIDRO COCCC1(C(=O)NC[C@H]2CC[N@H+](C)C2)CC1 ZINC000159544175 323036211 /nfs/dbraw/zinc/03/62/11/323036211.db2.gz WQYYFAZSVMFCBW-LLVKDONJSA-N 1 0 240.347 0.871 20 70 BCIDRO CC(C)CN(CC(N)=O)C(=O)C[N@H+](C)C(C)C ZINC000159677506 323043508 /nfs/dbraw/zinc/04/35/08/323043508.db2.gz UTOXFKOHUZJRHM-UHFFFAOYSA-N 1 0 243.351 0.297 20 70 BCIDRO Cc1n[nH]cc1C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000159697904 323044110 /nfs/dbraw/zinc/04/41/10/323044110.db2.gz XAQHRTLUMJDRQX-WCBMZHEXSA-N 1 0 236.319 0.804 20 70 BCIDRO CC[C@H](C)[C@H](O)CNC(=O)CC[NH2+]C(C)C ZINC000159817686 323049264 /nfs/dbraw/zinc/04/92/64/323049264.db2.gz DPEYZPUUKCUSOQ-WDEREUQCSA-N 1 0 230.352 0.898 20 70 BCIDRO CC[C@@H](C)[C@H](O)CNC(=O)CC[NH2+]C(C)C ZINC000159817551 323049372 /nfs/dbraw/zinc/04/93/72/323049372.db2.gz DPEYZPUUKCUSOQ-GHMZBOCLSA-N 1 0 230.352 0.898 20 70 BCIDRO CC(C)[NH+]1CCN(Cc2nncn2C)CC1 ZINC000160765193 323075683 /nfs/dbraw/zinc/07/56/83/323075683.db2.gz HFWJDPTUGFPLRX-UHFFFAOYSA-N 1 0 223.324 0.341 20 70 BCIDRO CCOC(=O)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC000160833301 323136504 /nfs/dbraw/zinc/13/65/04/323136504.db2.gz JTXAYQOQZZYQAF-SNVBAGLBSA-N 1 0 244.335 0.786 20 70 BCIDRO CC(C)NS(=O)(=O)NCCC[NH2+]C(C)C ZINC000160825505 323136713 /nfs/dbraw/zinc/13/67/13/323136713.db2.gz CSTWISDMPBASBC-UHFFFAOYSA-N 1 0 237.369 0.207 20 70 BCIDRO CC(C)[NH2+]CCC(=O)NCC[C@H](O)C(C)C ZINC000160897573 323138610 /nfs/dbraw/zinc/13/86/10/323138610.db2.gz KCKMNZVBPPJZSH-NSHDSACASA-N 1 0 230.352 0.898 20 70 BCIDRO CC[C@](C)(O)C[N@H+](C)CCN1CCCC1=O ZINC000161093486 323146220 /nfs/dbraw/zinc/14/62/20/323146220.db2.gz ZJCAPZRILWLWNJ-LBPRGKRZSA-N 1 0 228.336 0.702 20 70 BCIDRO Cn1cc(CC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000161204753 487484762 /nfs/dbraw/zinc/48/47/62/487484762.db2.gz ZIPMSAMDZDHMIO-GHMZBOCLSA-N 1 0 236.319 0.349 20 70 BCIDRO CCO[C@@H](C)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000161343054 487491919 /nfs/dbraw/zinc/49/19/19/487491919.db2.gz NHSGDOOBGKWKLF-VHSXEESVSA-N 1 0 214.309 0.622 20 70 BCIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCn2cccn2)C1 ZINC000161437141 487496682 /nfs/dbraw/zinc/49/66/82/487496682.db2.gz MHYPHLCIPPLHJG-GHMZBOCLSA-N 1 0 236.319 0.659 20 70 BCIDRO CCOCCOCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161484272 487499944 /nfs/dbraw/zinc/49/99/44/487499944.db2.gz SPJJRVIAIOCBBX-WDEREUQCSA-N 1 0 244.335 0.426 20 70 BCIDRO CC[C@@H](NC(=O)C[NH+](C)C)c1ncc[nH]1 ZINC000218083501 535787013 /nfs/dbraw/zinc/78/70/13/535787013.db2.gz HJDUXOULKNAYPW-MRVPVSSYSA-N 1 0 210.281 0.539 20 70 BCIDRO COC(C[NH2+][C@H](CCO)C(C)C)OC ZINC000218059014 592151812 /nfs/dbraw/zinc/15/18/12/592151812.db2.gz GZLYJGKZVSVBGK-SECBINFHSA-N 1 0 205.298 0.602 20 70 BCIDRO CC(C)C[C@H](O)C[NH2+]Cc1cncn1C ZINC000218168370 592153552 /nfs/dbraw/zinc/15/35/52/592153552.db2.gz KIQLCNVKWVWQSA-NSHDSACASA-N 1 0 211.309 0.917 20 70 BCIDRO Nc1ccc(C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000218512940 592159130 /nfs/dbraw/zinc/15/91/30/592159130.db2.gz VZIPZITZXGZPAB-NSHDSACASA-N 1 0 219.288 0.751 20 70 BCIDRO C[C@@H](CO)C[N@@H+]1CCC[C@H](CCO)C1 ZINC000160944935 538913204 /nfs/dbraw/zinc/91/32/04/538913204.db2.gz QMPOEDVDLWHEID-GHMZBOCLSA-N 1 0 201.310 0.709 20 70 BCIDRO CCC(CC)(C[NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000161160657 168321145 /nfs/dbraw/zinc/32/11/45/168321145.db2.gz NMQPNIIHYQFBHG-SNVBAGLBSA-N 1 0 227.352 0.572 20 70 BCIDRO CC[C@H](C)NC(=O)CN1CC[NH2+][C@@H](C)C1 ZINC000159585281 136214449 /nfs/dbraw/zinc/21/44/49/136214449.db2.gz UDNNUEHKLPVYHU-UWVGGRQHSA-N 1 0 213.325 0.195 20 70 BCIDRO CSCCN(C)C(=O)[C@H]1CCC[NH2+]C1 ZINC000160003412 343202770 /nfs/dbraw/zinc/20/27/70/343202770.db2.gz KZXKZNKTJOHEPR-VIFPVBQESA-N 1 0 216.350 0.807 20 70 BCIDRO CSCCN(C)C(=O)C[NH2+]CC1CC1 ZINC000160009089 343202956 /nfs/dbraw/zinc/20/29/56/343202956.db2.gz BHXQKBVLAWZZSY-UHFFFAOYSA-N 1 0 216.350 0.807 20 70 BCIDRO CO[C@H](C)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000160936926 343204245 /nfs/dbraw/zinc/20/42/45/343204245.db2.gz FUJFKSSJJFZSAP-IVZWLZJFSA-N 1 0 214.309 0.607 20 70 BCIDRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H]1CCOC1 ZINC000161502083 136277297 /nfs/dbraw/zinc/27/72/97/136277297.db2.gz DTVWRISCLPDHDQ-VHSXEESVSA-N 1 0 235.349 0.436 20 70 BCIDRO CC(C)([NH3+])CNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC000159945339 187301499 /nfs/dbraw/zinc/30/14/99/187301499.db2.gz MUJPDUBQLLRYOY-QMMMGPOBSA-N 1 0 236.319 0.368 20 70 BCIDRO CC(C)([NH3+])CNC(=O)CNc1ccccc1 ZINC000160022278 187301513 /nfs/dbraw/zinc/30/15/13/187301513.db2.gz YRNBYONGIVSJHM-UHFFFAOYSA-N 1 0 221.304 0.952 20 70 BCIDRO C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CCOC1 ZINC000159424625 345433450 /nfs/dbraw/zinc/43/34/50/345433450.db2.gz NZLLOFUYVVACHJ-ZJUUUORDSA-N 1 0 229.324 0.415 20 70 BCIDRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)N[C@@H]1CCOC1 ZINC000159459548 345437542 /nfs/dbraw/zinc/43/75/42/345437542.db2.gz BRBQXPOBYCSQMF-WDEREUQCSA-N 1 0 241.335 0.368 20 70 BCIDRO [NH3+]CCC(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000159503021 345440638 /nfs/dbraw/zinc/44/06/38/345440638.db2.gz RMVQSKUYXBNBDR-UHFFFAOYSA-N 1 0 231.259 0.759 20 70 BCIDRO Cn1nncc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159593506 345445353 /nfs/dbraw/zinc/44/53/53/345445353.db2.gz NHFSYUXDJFWDRB-UTUOFQBUSA-N 1 0 248.330 0.862 20 70 BCIDRO CC[C@@](C)(O)C[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000160363144 345490407 /nfs/dbraw/zinc/49/04/07/345490407.db2.gz REIBYEKIBAXPMK-GFCCVEGCSA-N 1 0 243.351 0.447 20 70 BCIDRO Cn1nccc1C[NH+]1CCC(CC(N)=O)CC1 ZINC000159814269 345554686 /nfs/dbraw/zinc/55/46/86/345554686.db2.gz BFEUJPJWLZUPHV-UHFFFAOYSA-N 1 0 236.319 0.508 20 70 BCIDRO CC(C)[C@@H](C(=O)N(C)CC[C@H](C)O)[NH+](C)C ZINC000159953435 345714594 /nfs/dbraw/zinc/71/45/94/345714594.db2.gz SIEPHUSWZMDEGS-QWRGUYRKSA-N 1 0 230.352 0.802 20 70 BCIDRO CC(=O)N(C)c1ccccc1NC(=O)[C@H](C)[NH3+] ZINC000160145463 345804924 /nfs/dbraw/zinc/80/49/24/345804924.db2.gz RNCBBGDAXIWFHZ-QMMMGPOBSA-N 1 0 235.287 0.955 20 70 BCIDRO COC(=O)[C@H]1CN(CCOCC2CC2)CCO1 ZINC000160511991 349018692 /nfs/dbraw/zinc/01/86/92/349018692.db2.gz PDNUJNKDVUMGRF-LLVKDONJSA-N 1 0 243.303 0.287 20 70 BCIDRO CCC([NH3+])(CC)CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000160559829 349214762 /nfs/dbraw/zinc/21/47/62/349214762.db2.gz MGAYXONGOYXVMO-LLVKDONJSA-N 1 0 231.315 0.322 20 70 BCIDRO COC[C@H](O)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000160819876 349328844 /nfs/dbraw/zinc/32/88/44/349328844.db2.gz CPNDXVZDRWBPEW-GHMZBOCLSA-N 1 0 246.351 0.086 20 70 BCIDRO COC(CN(C)[C@H]1CCCCNC1=O)OC ZINC000160906817 349337806 /nfs/dbraw/zinc/33/78/06/349337806.db2.gz PIQLJYJKNUEUBM-VIFPVBQESA-N 1 0 230.308 0.206 20 70 BCIDRO C[C@H]1C(=O)NCCN1CCC[NH+]1CCCCC1 ZINC000161319879 349421145 /nfs/dbraw/zinc/42/11/45/349421145.db2.gz FYMNAUZHNCKZLW-LBPRGKRZSA-N 1 0 239.363 0.683 20 70 BCIDRO CCOC(=O)c1ccc(CNC(=O)CC[NH3+])o1 ZINC000159574576 350903003 /nfs/dbraw/zinc/90/30/03/350903003.db2.gz FPTXBBMFWBKSIC-UHFFFAOYSA-N 1 0 240.259 0.421 20 70 BCIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC1=CCCOC1 ZINC000159663352 350968025 /nfs/dbraw/zinc/96/80/25/350968025.db2.gz FLAGAHPYFHZWJH-JQWIXIFHSA-N 1 0 238.331 0.919 20 70 BCIDRO C[NH+]1CCC(NC(=O)[C@@H]2CCCCO2)CC1 ZINC000161076119 351025937 /nfs/dbraw/zinc/02/59/37/351025937.db2.gz UQERVIABFXLJRN-NSHDSACASA-N 1 0 226.320 0.766 20 70 BCIDRO C[NH+]1CCC(NC(=O)[C@H]2CCCCO2)CC1 ZINC000161076234 351026080 /nfs/dbraw/zinc/02/60/80/351026080.db2.gz UQERVIABFXLJRN-LLVKDONJSA-N 1 0 226.320 0.766 20 70 BCIDRO CS(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160117671 353140257 /nfs/dbraw/zinc/14/02/57/353140257.db2.gz VYTCFLCDXHPOHV-NSHDSACASA-N 1 0 246.376 0.896 20 70 BCIDRO Cc1nn(C)cc1C[NH2+]C(C)(C)[C@H](C)O ZINC000160597844 188047647 /nfs/dbraw/zinc/04/76/47/188047647.db2.gz ZHAMLMMOCYGXGR-VIFPVBQESA-N 1 0 211.309 0.978 20 70 BCIDRO CC[N@@H+]1CCN(C(=O)N2CCOCC2)C[C@@H]1C ZINC000159593028 538878274 /nfs/dbraw/zinc/87/82/74/538878274.db2.gz JNQIULJUHVLDIX-NSHDSACASA-N 1 0 241.335 0.465 20 70 BCIDRO CC[C@H](CSC)[NH2+]C[C@@H](O)COC ZINC000217330590 357841155 /nfs/dbraw/zinc/84/11/55/357841155.db2.gz UCMJCQSHKGTEDY-RKDXNWHRSA-N 1 0 207.339 0.725 20 70 BCIDRO CCC[N@@H+](CC(=O)OC)C[C@@H](C)CO ZINC000160925918 359308721 /nfs/dbraw/zinc/30/87/21/359308721.db2.gz DAZFYHYIMZPCLU-SECBINFHSA-N 1 0 203.282 0.500 20 70 BCIDRO CSCCC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000159512955 361243860 /nfs/dbraw/zinc/24/38/60/361243860.db2.gz UXVYFPXUGFOVNX-RKDXNWHRSA-N 1 0 216.350 0.935 20 70 BCIDRO CCSCCN1CCO[C@H](C[NH3+])C1 ZINC000159515189 361245373 /nfs/dbraw/zinc/24/53/73/361245373.db2.gz ZSGSRNOASJUUTM-SECBINFHSA-N 1 0 204.339 0.399 20 70 BCIDRO CC[C@@H](O)CC[NH2+]Cc1cnn(C)c1C ZINC000160168104 361301159 /nfs/dbraw/zinc/30/11/59/361301159.db2.gz ZEZBGUHAPDFNKS-LLVKDONJSA-N 1 0 211.309 0.979 20 70 BCIDRO CC[N@H+](CCCO)[C@@H](C)C(=O)NC1CC1 ZINC000160728295 361325143 /nfs/dbraw/zinc/32/51/43/361325143.db2.gz IKPAPESGGWHRRI-VIFPVBQESA-N 1 0 214.309 0.358 20 70 BCIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC000161199531 181583571 /nfs/dbraw/zinc/58/35/71/181583571.db2.gz WXDAUXCJFYUEDW-UTLUCORTSA-N 1 0 212.293 0.552 20 70 BCIDRO CCCNS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000160829372 169272477 /nfs/dbraw/zinc/27/24/77/169272477.db2.gz GQUYVRIBVKVFDJ-RKDXNWHRSA-N 1 0 235.353 0.090 20 70 BCIDRO CC(C)[NH2+]CCC(=O)NC(C)(C)C(=O)N(C)C ZINC000159406985 384064564 /nfs/dbraw/zinc/06/45/64/384064564.db2.gz CBISGFOLQLERDO-UHFFFAOYSA-N 1 0 243.351 0.358 20 70 BCIDRO COC(C)(C)C[C@H](C)NC(=O)C1([NH3+])CC1 ZINC000160964579 384481972 /nfs/dbraw/zinc/48/19/72/384481972.db2.gz CUFCBKXYVPXDEH-QMMMGPOBSA-N 1 0 214.309 0.798 20 70 BCIDRO CO[C@H](C)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000160937046 384860418 /nfs/dbraw/zinc/86/04/18/384860418.db2.gz FUJFKSSJJFZSAP-OPRDCNLKSA-N 1 0 214.309 0.607 20 70 BCIDRO CCSCC[N@@H+]1CCNC(=O)CC1 ZINC000160471313 385662615 /nfs/dbraw/zinc/66/26/15/385662615.db2.gz JXSPJVQHUIMRGW-UHFFFAOYSA-N 1 0 202.323 0.561 20 70 BCIDRO CCc1cc(NC(=O)[C@H]2CCC[NH2+]2)n[nH]1 ZINC000159464220 385911170 /nfs/dbraw/zinc/91/11/70/385911170.db2.gz OVZKZJZYXDUXIT-MRVPVSSYSA-N 1 0 208.265 0.663 20 70 BCIDRO Cn1cncc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000218131129 385863385 /nfs/dbraw/zinc/86/33/85/385863385.db2.gz XULNLQQXILNBCG-SSDOTTSWSA-N 1 0 223.198 0.433 20 70 BCIDRO CC[C@](C)(O)C[N@H+](C)C[C@@H](C)C(=O)NC ZINC000161395741 385954100 /nfs/dbraw/zinc/95/41/00/385954100.db2.gz VOLYCBQSMGIPJN-KOLCDFICSA-N 1 0 216.325 0.461 20 70 BCIDRO CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)C[NH3+] ZINC000161175683 386601993 /nfs/dbraw/zinc/60/19/93/386601993.db2.gz SAPJRVIHBFCREX-GXSJLCMTSA-N 1 0 228.336 0.903 20 70 BCIDRO CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)C[NH3+] ZINC000161175797 386602928 /nfs/dbraw/zinc/60/29/28/386602928.db2.gz SAPJRVIHBFCREX-KOLCDFICSA-N 1 0 228.336 0.903 20 70 BCIDRO CN(CCC1CCOCC1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000160355500 387082780 /nfs/dbraw/zinc/08/27/80/387082780.db2.gz HITVSQOCGZLQAS-GFCCVEGCSA-N 1 0 240.347 0.871 20 70 BCIDRO CN(CCC1CCOCC1)C(=O)C1([NH3+])CC1 ZINC000160351367 387083573 /nfs/dbraw/zinc/08/35/73/387083573.db2.gz JSJVSYSYNQXPFP-UHFFFAOYSA-N 1 0 226.320 0.753 20 70 BCIDRO CC(C)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160540947 387105949 /nfs/dbraw/zinc/10/59/49/387105949.db2.gz HOBWLAJNVNEPAL-UHFFFAOYSA-N 1 0 228.336 0.463 20 70 BCIDRO C[NH+](C)Cc1cccc(C(=O)N2CC(O)C2)c1 ZINC000161427125 387209790 /nfs/dbraw/zinc/20/97/90/387209790.db2.gz HGRLNPUCHYTBCJ-UHFFFAOYSA-N 1 0 234.299 0.565 20 70 BCIDRO CC(C)[NH2+][C@@H](CC(N)=O)C1CCOCC1 ZINC000159749137 388029385 /nfs/dbraw/zinc/02/93/85/388029385.db2.gz RQCKIIRDXRZEPT-JTQLQIEISA-N 1 0 214.309 0.655 20 70 BCIDRO CC[C@@H](C)[C@@H](O)CNC(=O)[C@@H]([NH3+])CC ZINC000159819466 388031210 /nfs/dbraw/zinc/03/12/10/388031210.db2.gz XOBLRGBICQFXJZ-VGMNWLOBSA-N 1 0 202.298 0.247 20 70 BCIDRO CCOCCC[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000160452949 388067366 /nfs/dbraw/zinc/06/73/66/388067366.db2.gz VCXXBEVAEXFVHA-LLVKDONJSA-N 1 0 228.336 0.869 20 70 BCIDRO O=C(CC(F)(F)F)NCC1=CC[NH2+]CC1 ZINC000160514566 388072229 /nfs/dbraw/zinc/07/22/29/388072229.db2.gz YFZYVCXJTIHKRW-UHFFFAOYSA-N 1 0 222.210 0.975 20 70 BCIDRO CC(C)[C@H](O)CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000160896950 388099075 /nfs/dbraw/zinc/09/90/75/388099075.db2.gz ZWVDRTAMSREIJQ-GHMZBOCLSA-N 1 0 228.336 0.652 20 70 BCIDRO CCC[C@H](O)C[NH2+]Cc1cn(C)nc1C ZINC000160145568 388048324 /nfs/dbraw/zinc/04/83/24/388048324.db2.gz JVQUJZHGQOYAIE-NSHDSACASA-N 1 0 211.309 0.979 20 70 BCIDRO Cc1c(C[NH2+][C@H](C)[C@@H](C)CO)cnn1C ZINC000160154521 388048332 /nfs/dbraw/zinc/04/83/32/388048332.db2.gz BBHMAZVJHWCFIC-DTWKUNHWSA-N 1 0 211.309 0.835 20 70 BCIDRO O=C(NCCN1CC[NH2+]CC1)Nc1cccnc1 ZINC000217264697 256519575 /nfs/dbraw/zinc/51/95/75/256519575.db2.gz NBOLICOCOPKXEQ-UHFFFAOYSA-N 1 0 249.318 0.108 20 70 BCIDRO COCCC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000159515045 134777701 /nfs/dbraw/zinc/77/77/01/134777701.db2.gz PLODCYOOKWGOMW-DTWKUNHWSA-N 1 0 200.282 0.219 20 70 BCIDRO NS(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160148462 134800360 /nfs/dbraw/zinc/80/03/60/134800360.db2.gz YTJURVZSYBBISD-JTQLQIEISA-N 1 0 247.364 0.140 20 70 BCIDRO CC[NH+](CC)CC(=O)N[C@@H](CO)CC(C)C ZINC000160990492 397773717 /nfs/dbraw/zinc/77/37/17/397773717.db2.gz MMFJRRUDUWRWMQ-LLVKDONJSA-N 1 0 230.352 0.851 20 70 BCIDRO C[NH+]1CCC(CNC(=O)N[C@H]2CCOC2)CC1 ZINC000159444559 397946693 /nfs/dbraw/zinc/94/66/93/397946693.db2.gz HDICXPIFIPUCOI-NSHDSACASA-N 1 0 241.335 0.416 20 70 BCIDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1csnn1 ZINC000160540235 397995168 /nfs/dbraw/zinc/99/51/68/397995168.db2.gz POKZLJZDDHLTOD-BQBZGAKWSA-N 1 0 226.305 0.408 20 70 BCIDRO CC(C)NS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000160830891 167128625 /nfs/dbraw/zinc/12/86/25/167128625.db2.gz SMJUOKIQIAWUDU-RKDXNWHRSA-N 1 0 235.353 0.089 20 70 BCIDRO CC1(NC(=O)[C@@H]2CCCO2)CC[NH2+]CC1 ZINC000160572525 168058851 /nfs/dbraw/zinc/05/88/51/168058851.db2.gz ZWZYWEVDLWECAE-VIFPVBQESA-N 1 0 212.293 0.424 20 70 BCIDRO CCOC(=O)[C@H](C)CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000160802141 170263976 /nfs/dbraw/zinc/26/39/76/170263976.db2.gz IXJQXHAPGLXDCV-NXEZZACHSA-N 1 0 242.319 0.301 20 70 BCIDRO C[C@H](C[NH2+][C@@H](C)[C@H](C)O)N(C)C1CC1 ZINC000218584372 411918722 /nfs/dbraw/zinc/91/87/22/411918722.db2.gz REBPDKADEWDTRZ-UTLUCORTSA-N 1 0 200.326 0.828 20 70 BCIDRO CC[C@@](C)(O)C[N@@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000160716204 171178523 /nfs/dbraw/zinc/17/85/23/171178523.db2.gz CMYJZQPWKDHHNT-CHWSQXEVSA-N 1 0 242.363 0.996 20 70 BCIDRO CCn1cnnc1CNC(=[NH2+])NC1CCCC1 ZINC000218000535 172235231 /nfs/dbraw/zinc/23/52/31/172235231.db2.gz JBXQMTKSSZHZTF-UHFFFAOYSA-N 1 0 236.323 0.855 20 70 BCIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cncnc1C ZINC000161263601 173380317 /nfs/dbraw/zinc/38/03/17/173380317.db2.gz IFOACKNWTGYMQH-SNVBAGLBSA-N 1 0 234.303 0.609 20 70 BCIDRO CO[C@H](C)C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000160938492 174807971 /nfs/dbraw/zinc/80/79/71/174807971.db2.gz AIECMXJHUUTJHD-KOLCDFICSA-N 1 0 216.325 0.901 20 70 BCIDRO C[C@@H]1C[N@H+](CCn2ccnc2)[C@H](C)CO1 ZINC000159715829 176295846 /nfs/dbraw/zinc/29/58/46/176295846.db2.gz OJTRLQYECCTDFY-GHMZBOCLSA-N 1 0 209.293 0.992 20 70 BCIDRO CCO[C@H](CC)C(=O)N1CC[NH2+]CC1 ZINC000159433914 322968677 /nfs/dbraw/zinc/96/86/77/322968677.db2.gz FFDZYJVMIYRSCY-SECBINFHSA-N 1 0 200.282 0.233 20 70 BCIDRO CCC[C@H](O)CNC(=O)[C@H](CC)[NH+](C)C ZINC000160421633 323066292 /nfs/dbraw/zinc/06/62/92/323066292.db2.gz OWYDQPQDRFVCQZ-UWVGGRQHSA-N 1 0 216.325 0.604 20 70 BCIDRO CC(C)[NH2+]CCC(=O)NCC[C@@H](O)C(C)C ZINC000160897454 323138521 /nfs/dbraw/zinc/13/85/21/323138521.db2.gz KCKMNZVBPPJZSH-LLVKDONJSA-N 1 0 230.352 0.898 20 70 BCIDRO CC[N@H+](CCC(=O)NC)Cc1cnn(C)c1 ZINC000161122719 323147930 /nfs/dbraw/zinc/14/79/30/323147930.db2.gz JSQJKMLDEKOBSP-UHFFFAOYSA-N 1 0 224.308 0.378 20 70 BCIDRO Cc1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1N ZINC000160267980 488120505 /nfs/dbraw/zinc/12/05/05/488120505.db2.gz DXDYEWPBSYUUFW-SNVBAGLBSA-N 1 0 219.288 0.750 20 70 BCIDRO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)no1 ZINC000161145682 487479733 /nfs/dbraw/zinc/47/97/33/487479733.db2.gz NSGDOZSXZVOHQG-RKDXNWHRSA-N 1 0 223.276 0.983 20 70 BCIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cnccn2)C1 ZINC000161235595 487486442 /nfs/dbraw/zinc/48/64/42/487486442.db2.gz PRWFLCFYEZBFGR-RKDXNWHRSA-N 1 0 220.276 0.476 20 70 BCIDRO CCC[C@H](O)CNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000217965945 487490167 /nfs/dbraw/zinc/49/01/67/487490167.db2.gz DZYHONPPTJKILR-UTLUCORTSA-N 1 0 214.309 0.262 20 70 BCIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)OCC2CC2)C1 ZINC000160619340 488149720 /nfs/dbraw/zinc/14/97/20/488149720.db2.gz WTIZQIUUINTSER-KOLCDFICSA-N 1 0 226.320 0.622 20 70 BCIDRO CO[C@@H](C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000160923263 488178777 /nfs/dbraw/zinc/17/87/77/488178777.db2.gz SXRPJWZPZXILGD-DTWKUNHWSA-N 1 0 200.282 0.280 20 70 BCIDRO CC[C@H](CSC)[NH2+]CCS(C)(=O)=O ZINC000217330147 582816758 /nfs/dbraw/zinc/81/67/58/582816758.db2.gz FDYNJSXGGPHXOU-MRVPVSSYSA-N 1 0 225.379 0.762 20 70 BCIDRO CC[C@H](CCO)[NH2+]CCS(=O)(=O)CC ZINC000217815288 592149165 /nfs/dbraw/zinc/14/91/65/592149165.db2.gz IMOSWTJKXBDGIQ-SECBINFHSA-N 1 0 223.338 0.172 20 70 BCIDRO CC(C)C[C@@H](O)C[NH2+]Cc1nccn1C ZINC000218250388 592153688 /nfs/dbraw/zinc/15/36/88/592153688.db2.gz RSFPDQWEARKPON-SNVBAGLBSA-N 1 0 211.309 0.917 20 70 BCIDRO CCC(CC)[C@H](CNC(N)=[NH2+])N1CCOCC1 ZINC000161489255 349463790 /nfs/dbraw/zinc/46/37/90/349463790.db2.gz YIDVHPWIVSHSBH-NSHDSACASA-N 1 0 242.367 0.606 20 70 BCIDRO CCO[C@@H](C)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000161343247 398213769 /nfs/dbraw/zinc/21/37/69/398213769.db2.gz NHSGDOOBGKWKLF-UWVGGRQHSA-N 1 0 214.309 0.622 20 70 BCIDRO CCC(CC)[C@@H](O)CNC(=O)CCC[NH3+] ZINC000159762420 168401039 /nfs/dbraw/zinc/40/10/39/168401039.db2.gz YNGLNEVDSIPGGF-JTQLQIEISA-N 1 0 216.325 0.639 20 70 BCIDRO CSCCN(C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000159999464 343203057 /nfs/dbraw/zinc/20/30/57/343203057.db2.gz DMHKNCXWAJJXBI-VIFPVBQESA-N 1 0 216.350 0.950 20 70 BCIDRO CO[C@H](C)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000160937187 343204208 /nfs/dbraw/zinc/20/42/08/343204208.db2.gz FUJFKSSJJFZSAP-AEJSXWLSSA-N 1 0 214.309 0.607 20 70 BCIDRO CCOC[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC)C1 ZINC000160066842 323059415 /nfs/dbraw/zinc/05/94/15/323059415.db2.gz IBDMPDRMDUKOKN-MNOVXSKESA-N 1 0 228.336 0.999 20 70 BCIDRO CC[C@](C)(O)C[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000160363018 345490331 /nfs/dbraw/zinc/49/03/31/345490331.db2.gz REIBYEKIBAXPMK-LBPRGKRZSA-N 1 0 243.351 0.447 20 70 BCIDRO [NH3+]C[C@H]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H]3C2)O1 ZINC000159818295 345551422 /nfs/dbraw/zinc/55/14/22/345551422.db2.gz GIFYJRXLOFKXSW-KKOKHZNYSA-N 1 0 238.331 0.751 20 70 BCIDRO CCCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159811679 345554235 /nfs/dbraw/zinc/55/42/35/345554235.db2.gz BEKRWLIHASMVCN-SRVKXCTJSA-N 1 0 242.363 0.994 20 70 BCIDRO CC(C)[C@@H](C(=O)N1CCC[C@@H](O)C1)[NH+](C)C ZINC000159823345 345559283 /nfs/dbraw/zinc/55/92/83/345559283.db2.gz WZFJGXVFYPPOBU-MNOVXSKESA-N 1 0 228.336 0.556 20 70 BCIDRO CCOc1cncc(N2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000217133123 345744217 /nfs/dbraw/zinc/74/42/17/345744217.db2.gz XPPIRUDRZCEIAE-ZJUUUORDSA-N 1 0 234.303 0.673 20 70 BCIDRO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)NC(C)C ZINC000160866800 187359725 /nfs/dbraw/zinc/35/97/25/187359725.db2.gz YPQLPVMDGNECGZ-VIFPVBQESA-N 1 0 237.369 0.192 20 70 BCIDRO CC(C)([NH3+])CNC(=O)[C@@H]1CC12CCOCC2 ZINC000159971542 345762609 /nfs/dbraw/zinc/76/26/09/345762609.db2.gz IXVVXTCRCJZHHK-VIFPVBQESA-N 1 0 226.320 0.657 20 70 BCIDRO [NH3+]CCCNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000160102744 345798508 /nfs/dbraw/zinc/79/85/08/345798508.db2.gz GKKODPWLXOAINO-WDEREUQCSA-N 1 0 219.288 0.650 20 70 BCIDRO Cn1nccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159735352 350989896 /nfs/dbraw/zinc/98/98/96/350989896.db2.gz ONFXFBSMBJRNPE-AOOOYVTPSA-N 1 0 234.303 0.387 20 70 BCIDRO COC(=O)[C@H](NC(=O)[C@@H](C)[NH3+])C(C)(C)C ZINC000159908270 351024913 /nfs/dbraw/zinc/02/49/13/351024913.db2.gz XHIYDNPJGWOFLW-RQJHMYQMSA-N 1 0 216.281 0.038 20 70 BCIDRO CCN(C)C(=O)C[NH2+]C1CCC(O)CC1 ZINC000217385005 363126247 /nfs/dbraw/zinc/12/62/47/363126247.db2.gz KNOMPRVKXIYKJL-UHFFFAOYSA-N 1 0 214.309 0.358 20 70 BCIDRO CS(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160117805 353140250 /nfs/dbraw/zinc/14/02/50/353140250.db2.gz VYTCFLCDXHPOHV-LLVKDONJSA-N 1 0 246.376 0.896 20 70 BCIDRO CC(C)[C@@H](C(=O)N1CC[C@@H](O)C1)[NH+](C)C ZINC000160678987 353269875 /nfs/dbraw/zinc/26/98/75/353269875.db2.gz YNSREKLLJTWZBZ-ZJUUUORDSA-N 1 0 214.309 0.166 20 70 BCIDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)N1CCOCC1 ZINC000160667396 357165323 /nfs/dbraw/zinc/16/53/23/357165323.db2.gz WPHZAYHXNWOQTF-LLVKDONJSA-N 1 0 241.335 0.465 20 70 BCIDRO C[C@@H](C(=O)N[C@@H]1c2ccccc2C[C@@H]1O)[NH+](C)C ZINC000159895039 538880240 /nfs/dbraw/zinc/88/02/40/538880240.db2.gz QSTYBKZGFSQQGR-TVYUQYBPSA-N 1 0 248.326 0.711 20 70 BCIDRO CN(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000217704099 357911933 /nfs/dbraw/zinc/91/19/33/357911933.db2.gz FAMKQPMTRRRBJT-ZJUUUORDSA-N 1 0 211.309 0.837 20 70 BCIDRO CCC[C@@H](O)CNC(=O)C1([NH3+])CCC1 ZINC000217966072 357917352 /nfs/dbraw/zinc/91/73/52/357917352.db2.gz WMKIBSOWJBXPTD-MRVPVSSYSA-N 1 0 200.282 0.145 20 70 BCIDRO CCC[C@H](O)CNC(=O)CC[NH2+]C1CC1 ZINC000217964164 357917527 /nfs/dbraw/zinc/91/75/27/357917527.db2.gz ARMUQYLUKQPJLY-JTQLQIEISA-N 1 0 214.309 0.406 20 70 BCIDRO CC(=O)CCC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000217916598 134251045 /nfs/dbraw/zinc/25/10/45/134251045.db2.gz PYDVCKOMCUNACY-SECBINFHSA-N 1 0 226.320 0.955 20 70 BCIDRO CCOCC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000159514338 535412071 /nfs/dbraw/zinc/41/20/71/535412071.db2.gz MVHUFIKVNDFJAB-DTWKUNHWSA-N 1 0 200.282 0.219 20 70 BCIDRO CCOCC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000159514048 535412665 /nfs/dbraw/zinc/41/26/65/535412665.db2.gz MVHUFIKVNDFJAB-RKDXNWHRSA-N 1 0 200.282 0.219 20 70 BCIDRO COC(=O)[C@H]1CC[N@H+](C[C@@H](C)CO)C1 ZINC000160925731 359308425 /nfs/dbraw/zinc/30/84/25/359308425.db2.gz BJZNDVQCUKMZQD-BDAKNGLRSA-N 1 0 201.266 0.110 20 70 BCIDRO CCNC(=O)C[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC000159376812 361232256 /nfs/dbraw/zinc/23/22/56/361232256.db2.gz DAUYJDYYNVAXQJ-ZJUUUORDSA-N 1 0 214.309 0.358 20 70 BCIDRO [NH3+]C1(C(=O)NCC[C@H](O)c2ccccc2)CC1 ZINC000160847017 181326638 /nfs/dbraw/zinc/32/66/38/181326638.db2.gz KGWNNYPJVMILEN-NSHDSACASA-N 1 0 234.299 0.718 20 70 BCIDRO [NH3+]C1(C(=O)NC[C@H](O)c2ccsc2)CC1 ZINC000160440918 181327965 /nfs/dbraw/zinc/32/79/65/181327965.db2.gz LWOAOZRKWMDKEZ-QMMMGPOBSA-N 1 0 226.301 0.389 20 70 BCIDRO CC(C)(C)CCCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000160537670 361317992 /nfs/dbraw/zinc/31/79/92/361317992.db2.gz RGXWCWKINJPHNI-VHSXEESVSA-N 1 0 228.336 0.652 20 70 BCIDRO CCCNC(=O)[C@H](C)[N@H+](CC)CCCO ZINC000160726167 361325477 /nfs/dbraw/zinc/32/54/77/361325477.db2.gz LQPKMXBQUNVZBK-JTQLQIEISA-N 1 0 216.325 0.605 20 70 BCIDRO CCCC[C@H](COC)NC(=O)[C@H](C)[NH3+] ZINC000161164667 169003798 /nfs/dbraw/zinc/00/37/98/169003798.db2.gz KJOGZEUCAVLDGE-DTWKUNHWSA-N 1 0 202.298 0.655 20 70 BCIDRO CCCN(C(=O)[C@@H](C)OC)[C@@H]1CC[NH2+]C1 ZINC000160930429 169043182 /nfs/dbraw/zinc/04/31/82/169043182.db2.gz IMTNBLYDXGFJQZ-NXEZZACHSA-N 1 0 214.309 0.622 20 70 BCIDRO COC(=O)Cc1cccc(NC(=O)CC[NH3+])c1 ZINC000159642398 384344523 /nfs/dbraw/zinc/34/45/23/384344523.db2.gz JSUAWLBUEUPLCS-UHFFFAOYSA-N 1 0 236.271 0.689 20 70 BCIDRO Cn1nccc1/C=C/C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160350062 384403830 /nfs/dbraw/zinc/40/38/30/384403830.db2.gz YJGIHJQADFINQS-SGUJLRQBSA-N 1 0 234.303 0.383 20 70 BCIDRO CCc1cc(NC(=O)[C@@H]2CCC[NH2+]C2)n(C)n1 ZINC000160826227 384440403 /nfs/dbraw/zinc/44/04/03/384440403.db2.gz BHWXYXUGKOEWNL-SECBINFHSA-N 1 0 236.319 0.921 20 70 BCIDRO CO[C@@H](C)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000160934652 384860721 /nfs/dbraw/zinc/86/07/21/384860721.db2.gz RUKQLCXKISJAJH-OIBJUYFYSA-N 1 0 200.282 0.265 20 70 BCIDRO CC(=O)NCCCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000161383930 384988023 /nfs/dbraw/zinc/98/80/23/384988023.db2.gz HRBAHAJQBMVNDL-GFCCVEGCSA-N 1 0 241.335 0.019 20 70 BCIDRO CO[C@@H](C)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000160944267 385312582 /nfs/dbraw/zinc/31/25/82/385312582.db2.gz XIZDQYKMZMMYSW-VHSXEESVSA-N 1 0 216.325 0.853 20 70 BCIDRO CC(C)C[C@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000160949903 385923324 /nfs/dbraw/zinc/92/33/24/385923324.db2.gz FEOSAOJIKOKJDJ-MNOVXSKESA-N 1 0 228.336 0.604 20 70 BCIDRO C[C@@]1(CNC(=O)C2([NH3+])CC2)CCCC[C@H]1O ZINC000160838381 386269267 /nfs/dbraw/zinc/26/92/67/386269267.db2.gz QCJYGBNVSJMBAA-KOLCDFICSA-N 1 0 226.320 0.535 20 70 BCIDRO CC[NH+](CC)CCNC(=O)N(C)CC(C)(C)O ZINC000161478762 387227838 /nfs/dbraw/zinc/22/78/38/387227838.db2.gz QEPKDDMFGUIUFO-UHFFFAOYSA-N 1 0 245.367 0.741 20 70 BCIDRO C[C@@H](C(=O)N(C)C)N1CCC[C@@H]([NH+](C)C)C1 ZINC000217146625 387251920 /nfs/dbraw/zinc/25/19/20/387251920.db2.gz FKJJRDLOUSEZJL-WDEREUQCSA-N 1 0 227.352 0.489 20 70 BCIDRO CC[C@](C)(O)C[N@@H+]1CCCN(C(N)=O)CC1 ZINC000160839899 387963060 /nfs/dbraw/zinc/96/30/60/387963060.db2.gz QHNNSDOAGSHZOD-NSHDSACASA-N 1 0 229.324 0.234 20 70 BCIDRO CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CCOC1 ZINC000159401220 388011332 /nfs/dbraw/zinc/01/13/32/388011332.db2.gz JRKCOCFQZQNKQU-SNVBAGLBSA-N 1 0 229.324 0.415 20 70 BCIDRO CN(C)C(=O)CC(=O)NCC1([NH3+])CCCCC1 ZINC000159479266 388015970 /nfs/dbraw/zinc/01/59/70/388015970.db2.gz YBKUOGOGMNJXOG-UHFFFAOYSA-N 1 0 241.335 0.243 20 70 BCIDRO CCC(CC)(C[NH2+]CCO)C(=O)OC ZINC000159673732 388026310 /nfs/dbraw/zinc/02/63/10/388026310.db2.gz METIAFJQWXADRL-UHFFFAOYSA-N 1 0 203.282 0.548 20 70 BCIDRO CCC(CC)[C@@H](O)CNC(=O)[C@@H](C)[NH3+] ZINC000159759912 388029124 /nfs/dbraw/zinc/02/91/24/388029124.db2.gz XXCMAIQIBKHFJW-APPZFPTMSA-N 1 0 202.298 0.247 20 70 BCIDRO C[C@@H](O)C[C@H](C)CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000160570254 388075969 /nfs/dbraw/zinc/07/59/69/388075969.db2.gz PYEJAIWKARGOHI-IVZWLZJFSA-N 1 0 230.352 0.883 20 70 BCIDRO CCC[C@@H]([NH3+])C(=O)NCC[C@@H](O)C(C)C ZINC000160898344 388099319 /nfs/dbraw/zinc/09/93/19/388099319.db2.gz BKCZWLNGWILIAE-NXEZZACHSA-N 1 0 216.325 0.637 20 70 BCIDRO C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCCO1 ZINC000160138025 388048552 /nfs/dbraw/zinc/04/85/52/388048552.db2.gz PYZZSWLNDRDQFT-VHSXEESVSA-N 1 0 214.309 0.527 20 70 BCIDRO [NH3+][C@H](CNC(=O)c1cnns1)C1CC1 ZINC000160128413 388048568 /nfs/dbraw/zinc/04/85/68/388048568.db2.gz DROIFLWOPIJLCV-ZCFIWIBFSA-N 1 0 212.278 0.005 20 70 BCIDRO CC[C@H](O)CC[NH2+]Cc1cn(C)nc1C ZINC000160167422 388049883 /nfs/dbraw/zinc/04/98/83/388049883.db2.gz SFSDMNSXLXZGMO-NSHDSACASA-N 1 0 211.309 0.979 20 70 BCIDRO CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000218044595 134251278 /nfs/dbraw/zinc/25/12/78/134251278.db2.gz AVJMRQDTPWUKKH-RKDXNWHRSA-N 1 0 228.292 0.135 20 70 BCIDRO CC[C@H](NC(=O)C[NH+](C)C)c1ncc[nH]1 ZINC000218083590 134251790 /nfs/dbraw/zinc/25/17/90/134251790.db2.gz HJDUXOULKNAYPW-QMMMGPOBSA-N 1 0 210.281 0.539 20 70 BCIDRO C[NH2+]CCN(C)C(=O)c1oc(C)nc1C ZINC000159402876 134773293 /nfs/dbraw/zinc/77/32/93/134773293.db2.gz KIFYEYXAVCLSAB-UHFFFAOYSA-N 1 0 211.265 0.583 20 70 BCIDRO [NH3+]CCCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000160026292 134798233 /nfs/dbraw/zinc/79/82/33/134798233.db2.gz RSQMPBJTTCGVQI-ZACCUICWSA-N 1 0 238.331 0.847 20 70 BCIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCOC1 ZINC000159444703 397946975 /nfs/dbraw/zinc/94/69/75/397946975.db2.gz FEHLJCCCLHNRAH-GHMZBOCLSA-N 1 0 241.335 0.559 20 70 BCIDRO CC(C)NS(=O)(=O)NC1CCC([NH3+])CC1 ZINC000160470125 167125025 /nfs/dbraw/zinc/12/50/25/167125025.db2.gz STLCZRVHLFGAKS-UHFFFAOYSA-N 1 0 235.353 0.089 20 70 BCIDRO CC[C@H](CCO)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000217801760 411547794 /nfs/dbraw/zinc/54/77/94/411547794.db2.gz KRYPNADGEKJRGJ-NXEZZACHSA-N 1 0 214.309 0.406 20 70 BCIDRO CCOC(=O)CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000160612957 170221648 /nfs/dbraw/zinc/22/16/48/170221648.db2.gz BKHMNGAAFPBPON-BDAKNGLRSA-N 1 0 200.282 0.219 20 70 BCIDRO CCOC(=O)[C@H](C)CNC(=O)C(C)(C)[NH3+] ZINC000160800055 170264212 /nfs/dbraw/zinc/26/42/12/170264212.db2.gz YVNVVHPXJZUEFV-SSDOTTSWSA-N 1 0 216.281 0.039 20 70 BCIDRO CCOC(=O)[C@H](NC(=O)C[NH2+]C)[C@@H](C)CC ZINC000161505771 170276834 /nfs/dbraw/zinc/27/68/34/170276834.db2.gz HFVDFOBZRQTXGU-WCBMZHEXSA-N 1 0 230.308 0.300 20 70 BCIDRO CCOCCC[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000160534005 170375308 /nfs/dbraw/zinc/37/53/08/170375308.db2.gz FDDILCOQFULZMZ-WDEREUQCSA-N 1 0 228.336 0.999 20 70 BCIDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)CN(C)C ZINC000217327601 170610895 /nfs/dbraw/zinc/61/08/95/170610895.db2.gz YVYMVLGAQFTXNE-VHSXEESVSA-N 1 0 236.381 0.349 20 70 BCIDRO CC[C@@H](O)CC[NH2+]Cc1ncnn1CC ZINC000218774604 412121541 /nfs/dbraw/zinc/12/15/41/412121541.db2.gz YHKHGHHFABXBNF-SECBINFHSA-N 1 0 212.297 0.549 20 70 BCIDRO C[NH2+]CC(=O)NC[C@H](C)Oc1cccc(F)c1 ZINC000161147597 173330443 /nfs/dbraw/zinc/33/04/43/173330443.db2.gz ZFOYUUSXFMOPSK-VIFPVBQESA-N 1 0 240.278 0.929 20 70 BCIDRO C[C@H](Oc1cccnc1)C(=O)NCCC[NH3+] ZINC000160129659 177024880 /nfs/dbraw/zinc/02/48/80/177024880.db2.gz MJYRGMGHGMNROJ-VIFPVBQESA-N 1 0 223.276 0.314 20 70 BCIDRO O=C([C@H]1CC[NH2+]C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000218260552 262753148 /nfs/dbraw/zinc/75/31/48/262753148.db2.gz ULVQDINRUDQATK-SDDRHHMPSA-N 1 0 238.331 0.766 20 70 BCIDRO CO[C@@H](C)CCC(=O)NC1CC[NH2+]CC1 ZINC000159745222 323046666 /nfs/dbraw/zinc/04/66/66/323046666.db2.gz MCFWLHVHRZNDLD-VIFPVBQESA-N 1 0 214.309 0.670 20 70 BCIDRO C[C@H]1C[N@H+](CC2(O)CCOCC2)CCS1 ZINC000159844238 323050737 /nfs/dbraw/zinc/05/07/37/323050737.db2.gz KHAWPENZOKLUAY-JTQLQIEISA-N 1 0 231.361 0.965 20 70 BCIDRO CSCCN(C)C(=O)[C@H]1CC[NH2+]C1 ZINC000160002340 323057478 /nfs/dbraw/zinc/05/74/78/323057478.db2.gz VOQKRHGPCPWEGN-QMMMGPOBSA-N 1 0 202.323 0.417 20 70 BCIDRO C[C@H](CC(=O)N(C)C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160580548 323072746 /nfs/dbraw/zinc/07/27/46/323072746.db2.gz JBFDGPMBUZFLNS-UTUOFQBUSA-N 1 0 242.363 0.994 20 70 BCIDRO Cc1nccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000161085354 488116836 /nfs/dbraw/zinc/11/68/36/488116836.db2.gz QPLZWCQUMLWXKP-NXEZZACHSA-N 1 0 234.303 0.785 20 70 BCIDRO Cn1cc(CC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000161204865 487484815 /nfs/dbraw/zinc/48/48/15/487484815.db2.gz ZIPMSAMDZDHMIO-MNOVXSKESA-N 1 0 236.319 0.349 20 70 BCIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cnccn2)C1 ZINC000161235700 487485853 /nfs/dbraw/zinc/48/58/53/487485853.db2.gz PRWFLCFYEZBFGR-BDAKNGLRSA-N 1 0 220.276 0.476 20 70 BCIDRO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)n(C)n1 ZINC000161316752 487490722 /nfs/dbraw/zinc/49/07/22/487490722.db2.gz RNKSNXDMTLXMGZ-NXEZZACHSA-N 1 0 236.319 0.728 20 70 BCIDRO Cc1cc(=O)[nH]cc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161461743 487498531 /nfs/dbraw/zinc/49/85/31/487498531.db2.gz LCOVAJIASIEHPU-UWVGGRQHSA-N 1 0 249.314 0.683 20 70 BCIDRO COCCCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161499164 487501097 /nfs/dbraw/zinc/50/10/97/487501097.db2.gz XKPSVUATJPUFGX-UWVGGRQHSA-N 1 0 214.309 0.799 20 70 BCIDRO CCCC(=O)NCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000160870720 488174666 /nfs/dbraw/zinc/17/46/66/488174666.db2.gz FECTUVGSFFQIPX-ZJUUUORDSA-N 1 0 241.335 0.289 20 70 BCIDRO O=C(NCCN1CC[NH2+]CC1)Nc1ccccn1 ZINC000217311301 582825810 /nfs/dbraw/zinc/82/58/10/582825810.db2.gz QJMIYGSIWLAAGE-UHFFFAOYSA-N 1 0 249.318 0.108 20 70 BCIDRO CC(C)C[C@@H](O)C[NH2+]Cc1ccnn1C ZINC000218250549 592153658 /nfs/dbraw/zinc/15/36/58/592153658.db2.gz MYZIWHWZDKHPKN-LLVKDONJSA-N 1 0 211.309 0.917 20 70 BCIDRO Cn1cnc(CNC(=[NH2+])Nc2ccccc2)n1 ZINC000218721703 592175530 /nfs/dbraw/zinc/17/55/30/592175530.db2.gz KKPMCRBCBIUNIY-UHFFFAOYSA-N 1 0 230.275 0.952 20 70 BCIDRO CCNC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161309859 538915293 /nfs/dbraw/zinc/91/52/93/538915293.db2.gz MHUNOMLHJZQLNF-UHFFFAOYSA-N 1 0 248.330 0.340 20 70 BCIDRO C[N@H+](CCCN1CC[NH+](C)CC1)CC1CC1 ZINC000161428910 349445748 /nfs/dbraw/zinc/44/57/48/349445748.db2.gz LDDLKZDDQYZQNR-UHFFFAOYSA-N 1 0 225.380 0.966 20 70 BCIDRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H]1CCOC1 ZINC000161501863 349466414 /nfs/dbraw/zinc/46/64/14/349466414.db2.gz DTVWRISCLPDHDQ-UWVGGRQHSA-N 1 0 235.349 0.436 20 70 BCIDRO Cc1cnccc1CNC(=O)[C@@H](C)C[NH3+] ZINC000160603933 343203523 /nfs/dbraw/zinc/20/35/23/343203523.db2.gz UCZHZRCQLAKZSJ-QMMMGPOBSA-N 1 0 207.277 0.601 20 70 BCIDRO C[C@]1(O)CCC[N@H+](CC(=O)N2CCC2)C1 ZINC000161002669 344374452 /nfs/dbraw/zinc/37/44/52/344374452.db2.gz HKBKKKJMDJTDSZ-NSHDSACASA-N 1 0 212.293 0.066 20 70 BCIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)NC(N)=O ZINC000160596028 323073322 /nfs/dbraw/zinc/07/33/22/323073322.db2.gz LHUMHLVWSPOOPM-IUCAKERBSA-N 1 0 229.324 0.938 20 70 BCIDRO CC[C@H](CSC)[NH2+]C[C@H](O)COC ZINC000217330594 344731913 /nfs/dbraw/zinc/73/19/13/344731913.db2.gz UCMJCQSHKGTEDY-BDAKNGLRSA-N 1 0 207.339 0.725 20 70 BCIDRO C[C@@H](C(N)=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000217370216 344889000 /nfs/dbraw/zinc/88/90/00/344889000.db2.gz ZOJRUCLUPCZLBD-VHSXEESVSA-N 1 0 211.309 0.030 20 70 BCIDRO C[C@@H](CC[NH+](C)C)NC(=O)N[C@H]1CCOC1 ZINC000159424494 345433491 /nfs/dbraw/zinc/43/34/91/345433491.db2.gz NZLLOFUYVVACHJ-UWVGGRQHSA-N 1 0 229.324 0.415 20 70 BCIDRO O=C(c1ccc[nH]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159535091 345441648 /nfs/dbraw/zinc/44/16/48/345441648.db2.gz VJLNPONFRVZLRT-AOOOYVTPSA-N 1 0 219.288 0.981 20 70 BCIDRO NC(=O)CC1CC[NH+](CCn2ccnc2)CC1 ZINC000159753073 345511844 /nfs/dbraw/zinc/51/18/44/345511844.db2.gz BTIJPEJETZBHHW-UHFFFAOYSA-N 1 0 236.319 0.471 20 70 BCIDRO COC[C@]1(C(=O)NCc2ccccc2)CC[NH2+]C1 ZINC000218147363 345744923 /nfs/dbraw/zinc/74/49/23/345744923.db2.gz UVYOSLVXUCQKHA-AWEZNQCLSA-N 1 0 248.326 0.929 20 70 BCIDRO CC(C)C[NH+]1CCN(Cc2nncn2C)CC1 ZINC000160716607 323103668 /nfs/dbraw/zinc/10/36/68/323103668.db2.gz HBWWVRCRIQQAAC-UHFFFAOYSA-N 1 0 237.351 0.589 20 70 BCIDRO CSCC[C@@H]([NH3+])C(=O)N[C@H](C)CSC ZINC000161206489 346085558 /nfs/dbraw/zinc/08/55/58/346085558.db2.gz LSEYJNYJTRJGLU-HTQZYQBOSA-N 1 0 236.406 0.935 20 70 BCIDRO CCOC[C@@H](O)C[NH2+][C@H]1CCCSC1 ZINC000161271722 346167048 /nfs/dbraw/zinc/16/70/48/346167048.db2.gz AJEAVUNBJPWJSV-UWVGGRQHSA-N 1 0 219.350 0.869 20 70 BCIDRO C[C@H](O)CC[N@H+](C)Cc1cnc(N)s1 ZINC000161285898 346167967 /nfs/dbraw/zinc/16/79/67/346167967.db2.gz FNYMDCWCGKARFA-ZETCQYMHSA-N 1 0 215.322 0.928 20 70 BCIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc[nH]c(=O)c1 ZINC000159569537 346425408 /nfs/dbraw/zinc/42/54/08/346425408.db2.gz MNLAUBFUDAQMHO-NSHDSACASA-N 1 0 249.314 0.589 20 70 BCIDRO O=C(c1cnsn1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160652529 349281336 /nfs/dbraw/zinc/28/13/36/349281336.db2.gz SMLJTXNCCFIRFT-OCAPTIKFSA-N 1 0 238.316 0.505 20 70 BCIDRO C[C@@]1(O)CCC[N@H+](CC(=O)N2CCC2)C1 ZINC000161002818 349356534 /nfs/dbraw/zinc/35/65/34/349356534.db2.gz HKBKKKJMDJTDSZ-LLVKDONJSA-N 1 0 212.293 0.066 20 70 BCIDRO COCCOCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160750151 349320643 /nfs/dbraw/zinc/32/06/43/349320643.db2.gz CACHWSQKIXBSTQ-PHIMTYICSA-N 1 0 242.319 0.002 20 70 BCIDRO [NH3+]CCC(=O)NCc1cccc(-c2nc[nH]n2)c1 ZINC000160837089 349324047 /nfs/dbraw/zinc/32/40/47/349324047.db2.gz VPUWVZNTAWKALE-UHFFFAOYSA-N 1 0 245.286 0.437 20 70 BCIDRO CC(C)S(=O)(=O)CCCN1CCC([NH3+])CC1 ZINC000217938000 350078001 /nfs/dbraw/zinc/07/80/01/350078001.db2.gz LIRWPTSDDKHTJD-UHFFFAOYSA-N 1 0 248.392 0.623 20 70 BCIDRO Cc1nn(C)cc1C[NH2+][C@H](C)[C@@H](C)CO ZINC000160153521 180374633 /nfs/dbraw/zinc/37/46/33/180374633.db2.gz PQROCBTWNQNALV-DTWKUNHWSA-N 1 0 211.309 0.835 20 70 BCIDRO Cn1ccnc1CN1CC[NH+](C2CC2)CC1 ZINC000160861037 350865712 /nfs/dbraw/zinc/86/57/12/350865712.db2.gz ZIFNZIXKEPKWBF-UHFFFAOYSA-N 1 0 220.320 0.700 20 70 BCIDRO Cc1nn(C)cc1C[NH2+]CCCCCO ZINC000161232349 187663671 /nfs/dbraw/zinc/66/36/71/187663671.db2.gz NSNOHDOIHNWKNO-UHFFFAOYSA-N 1 0 211.309 0.981 20 70 BCIDRO CC(C)[C@H](C(=O)NCCC[NH3+])N1CCCC1=O ZINC000160145317 188047778 /nfs/dbraw/zinc/04/77/78/188047778.db2.gz LPSHDRNKPSMQAO-LLVKDONJSA-N 1 0 241.335 0.098 20 70 BCIDRO CC(=O)N(C)c1cccc(NC(=O)[C@H](C)[NH3+])c1 ZINC000161387027 188334909 /nfs/dbraw/zinc/33/49/09/188334909.db2.gz FSWNBUQTXINBGH-QMMMGPOBSA-N 1 0 235.287 0.955 20 70 BCIDRO COC(=O)[C@H]1CCC[N@@H+]1C[C@@H](C)CO ZINC000160944645 359506381 /nfs/dbraw/zinc/50/63/81/359506381.db2.gz YNCZDGOVBCHUPZ-RKDXNWHRSA-N 1 0 201.266 0.252 20 70 BCIDRO COCCC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000159515329 361245365 /nfs/dbraw/zinc/24/53/65/361245365.db2.gz PLODCYOOKWGOMW-IUCAKERBSA-N 1 0 200.282 0.219 20 70 BCIDRO CSCCC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000159513191 361245622 /nfs/dbraw/zinc/24/56/22/361245622.db2.gz UXVYFPXUGFOVNX-BDAKNGLRSA-N 1 0 216.350 0.935 20 70 BCIDRO CC[N@H+](CCCO)[C@H](C)C(=O)NC1CC1 ZINC000160728454 361325285 /nfs/dbraw/zinc/32/52/85/361325285.db2.gz IKPAPESGGWHRRI-SECBINFHSA-N 1 0 214.309 0.358 20 70 BCIDRO CCOC(=O)[C@@H](C)CNC(=O)[C@@H]([NH3+])CC ZINC000160801638 361327858 /nfs/dbraw/zinc/32/78/58/361327858.db2.gz FSHGTDDOEHWRAU-YUMQZZPRSA-N 1 0 216.281 0.039 20 70 BCIDRO C[N@@H+]1CCN(C(=O)N2CCOCC2)CC1(C)C ZINC000160573592 361335116 /nfs/dbraw/zinc/33/51/16/361335116.db2.gz WDFKKGMBJQOWEZ-UHFFFAOYSA-N 1 0 241.335 0.465 20 70 BCIDRO [NH3+]CCCNC(=O)CSC[C@H]1CCCCO1 ZINC000160128491 181381539 /nfs/dbraw/zinc/38/15/39/181381539.db2.gz SQFXVPSBDLZFGB-SNVBAGLBSA-N 1 0 246.376 0.754 20 70 BCIDRO [NH3+]CCCNC(=O)c1cc(F)cc2nccnc21 ZINC000160066913 181382114 /nfs/dbraw/zinc/38/21/14/181382114.db2.gz JWPQZKBIVVZLKA-UHFFFAOYSA-N 1 0 248.261 0.848 20 70 BCIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccon2)C1 ZINC000161164157 181583812 /nfs/dbraw/zinc/58/38/12/181583812.db2.gz MJQPXDXWLCPSDX-SFYZADRCSA-N 1 0 209.249 0.674 20 70 BCIDRO O=C(NCC1=CC[NH2+]CC1)c1ccco1 ZINC000160511260 182135955 /nfs/dbraw/zinc/13/59/55/182135955.db2.gz IIBJILWAKWTCSY-UHFFFAOYSA-N 1 0 206.245 0.929 20 70 BCIDRO CC[C@H](CCO)NC(=O)C[N@H+](CC)C1CC1 ZINC000159412560 384097406 /nfs/dbraw/zinc/09/74/06/384097406.db2.gz RJYRKURIGNWXTC-SNVBAGLBSA-N 1 0 228.336 0.748 20 70 BCIDRO CC[C@H](CSC)NC(=O)C(C)(C)[NH3+] ZINC000217332881 384157216 /nfs/dbraw/zinc/15/72/16/384157216.db2.gz QUEYORRTWZMBPS-SSDOTTSWSA-N 1 0 204.339 0.982 20 70 BCIDRO C[NH+](C)CC(=O)N[C@H](CCO)c1ccccc1 ZINC000159506643 384335897 /nfs/dbraw/zinc/33/58/97/384335897.db2.gz XMXXVHLRNGUCNW-GFCCVEGCSA-N 1 0 236.315 0.788 20 70 BCIDRO C[C@H]([NH3+])C(=O)NCCC(=O)Nc1ccccc1 ZINC000160022340 384378905 /nfs/dbraw/zinc/37/89/05/384378905.db2.gz QIJUOAIEHVTPJH-VIFPVBQESA-N 1 0 235.287 0.479 20 70 BCIDRO C[NH2+][C@H]1CCN(C(=O)Cc2ccc(C)nc2)C1 ZINC000160710836 384431848 /nfs/dbraw/zinc/43/18/48/384431848.db2.gz HOUJOQFENPGKDF-LBPRGKRZSA-N 1 0 233.315 0.753 20 70 BCIDRO C[NH2+][C@H]1CCN(C(=O)[C@H](C)Oc2cccnc2)C1 ZINC000160722939 384431918 /nfs/dbraw/zinc/43/19/18/384431918.db2.gz NSCFIACDWXQCNL-QWRGUYRKSA-N 1 0 249.314 0.669 20 70 BCIDRO CO[C@@H](C)C(=O)NC1(C[NH3+])CCCC1 ZINC000160933353 384844383 /nfs/dbraw/zinc/84/43/83/384844383.db2.gz CPBDLWFZZUJZFC-QMMMGPOBSA-N 1 0 200.282 0.409 20 70 BCIDRO CCc1cc(NC(=O)[C@@H]([NH3+])CC)n(C)n1 ZINC000160825940 384906583 /nfs/dbraw/zinc/90/65/83/384906583.db2.gz KSJDMGYFRWUDAS-QMMMGPOBSA-N 1 0 210.281 0.658 20 70 BCIDRO COC[C@H](C)[NH2+][C@@H](CCO)CSC ZINC000160413722 385619093 /nfs/dbraw/zinc/61/90/93/385619093.db2.gz RSLWZFNYDDZSPZ-IUCAKERBSA-N 1 0 207.339 0.725 20 70 BCIDRO CC(C)C[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000160949805 385924111 /nfs/dbraw/zinc/92/41/11/385924111.db2.gz FEOSAOJIKOKJDJ-QWRGUYRKSA-N 1 0 228.336 0.604 20 70 BCIDRO Cn1cncc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000218131233 385868263 /nfs/dbraw/zinc/86/82/63/385868263.db2.gz XULNLQQXILNBCG-ZETCQYMHSA-N 1 0 223.198 0.433 20 70 BCIDRO CC[NH+](CC)CCCNC(=O)N[C@@H]1CCOC1 ZINC000159439472 385979717 /nfs/dbraw/zinc/97/97/17/385979717.db2.gz MCNFFJJSSIAZJZ-LLVKDONJSA-N 1 0 243.351 0.806 20 70 BCIDRO C[C@H]([NH3+])C(=O)N(C)CCC1CCOCC1 ZINC000161402086 386756554 /nfs/dbraw/zinc/75/65/54/386756554.db2.gz HMMDFRPZLVAEEW-VIFPVBQESA-N 1 0 214.309 0.609 20 70 BCIDRO CCS(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000161245408 386793866 /nfs/dbraw/zinc/79/38/66/386793866.db2.gz OGBGZMDUDHJYDZ-VIFPVBQESA-N 1 0 222.354 0.641 20 70 BCIDRO C[C@H]([NH3+])C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000160045095 387041326 /nfs/dbraw/zinc/04/13/26/387041326.db2.gz JDDIDTVFXRZBGP-VIFPVBQESA-N 1 0 241.335 0.098 20 70 BCIDRO CC(C)C[C@H](NC(=O)CC[NH3+])C(=O)OC(C)C ZINC000160146649 387076833 /nfs/dbraw/zinc/07/68/33/387076833.db2.gz PNKYULSJJBTLJH-JTQLQIEISA-N 1 0 244.335 0.818 20 70 BCIDRO CCOC[C@@H](O)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000160990390 387541326 /nfs/dbraw/zinc/54/13/26/387541326.db2.gz LDCHOWFXIYXCSL-WDEREUQCSA-N 1 0 217.309 0.231 20 70 BCIDRO CO[C@@]1(C[N@@H+]2CC[C@H](CO)C2)CCOC1 ZINC000159371691 388011584 /nfs/dbraw/zinc/01/15/84/388011584.db2.gz WKQCANUBMBQHAM-WDEREUQCSA-N 1 0 215.293 0.106 20 70 BCIDRO C[N@H+](CCOCCO)C[C@H]1CCC[C@@H]1O ZINC000159476008 388016191 /nfs/dbraw/zinc/01/61/91/388016191.db2.gz YACWBFXTFSBJKJ-MNOVXSKESA-N 1 0 217.309 0.088 20 70 BCIDRO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CCOC2)C1 ZINC000159470626 388016860 /nfs/dbraw/zinc/01/68/60/388016860.db2.gz BVFZSOLKGCATND-GHMZBOCLSA-N 1 0 241.335 0.511 20 70 BCIDRO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CCOC2)C1 ZINC000159470898 388017193 /nfs/dbraw/zinc/01/71/93/388017193.db2.gz BVFZSOLKGCATND-WDEREUQCSA-N 1 0 241.335 0.511 20 70 BCIDRO [NH3+]C[C@H]1CN(C(=O)c2ccsc2)CCO1 ZINC000159511158 388018500 /nfs/dbraw/zinc/01/85/00/388018500.db2.gz ZSRDJXPVGJBZDL-VIFPVBQESA-N 1 0 226.301 0.548 20 70 BCIDRO COC[C@@H](C)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000159555100 388021298 /nfs/dbraw/zinc/02/12/98/388021298.db2.gz DMAGUKDXWPDNTE-KOLCDFICSA-N 1 0 214.309 0.670 20 70 BCIDRO C[C@]1(C(=O)Nc2cn[nH]c2)CCCC[NH2+]1 ZINC000159570152 388021985 /nfs/dbraw/zinc/02/19/85/388021985.db2.gz UKBVWGXHPBWEGO-SNVBAGLBSA-N 1 0 208.265 0.880 20 70 BCIDRO CSCCCCC(=O)NCCC[NH3+] ZINC000160039500 388043906 /nfs/dbraw/zinc/04/39/06/388043906.db2.gz XRMLHCMPUBZWOW-UHFFFAOYSA-N 1 0 204.339 0.985 20 70 BCIDRO c1cn(CCN2CC[NH+](CC3CC3)CC2)cn1 ZINC000159763437 388029877 /nfs/dbraw/zinc/02/98/77/388029877.db2.gz HQZVDNMRVOKXFY-UHFFFAOYSA-N 1 0 234.347 0.911 20 70 BCIDRO CCC(CC)[C@H](O)CNC(=O)[C@@H](C)[NH3+] ZINC000159759766 388029994 /nfs/dbraw/zinc/02/99/94/388029994.db2.gz XXCMAIQIBKHFJW-VXNVDRBHSA-N 1 0 202.298 0.247 20 70 BCIDRO COC(=O)[C@H](C)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000160603537 388077918 /nfs/dbraw/zinc/07/79/18/388077918.db2.gz PACGEABSSVQHPJ-CIUDSAMLSA-N 1 0 200.282 0.217 20 70 BCIDRO Cn1ccnc1CN1CC[NH+](CC2CC2)CC1 ZINC000160815442 388091119 /nfs/dbraw/zinc/09/11/19/388091119.db2.gz FUETZSQAJGKSTB-UHFFFAOYSA-N 1 0 234.347 0.948 20 70 BCIDRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1cccs1 ZINC000160138559 388047858 /nfs/dbraw/zinc/04/78/58/388047858.db2.gz PJGWDQCQOVPDLN-QMMMGPOBSA-N 1 0 248.373 0.882 20 70 BCIDRO Cc1nn(C)cc1C[NH2+]CC1(O)CCC1 ZINC000160143945 388048154 /nfs/dbraw/zinc/04/81/54/388048154.db2.gz GRCWYDHEQQOQPS-UHFFFAOYSA-N 1 0 209.293 0.733 20 70 BCIDRO CCCS(=O)(=O)NC[C@H](C)C[NH2+]C ZINC000160141032 388048409 /nfs/dbraw/zinc/04/84/09/388048409.db2.gz QNQFBAYFUXNQOY-MRVPVSSYSA-N 1 0 208.327 0.171 20 70 BCIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cnns2)C1 ZINC000161286098 388667343 /nfs/dbraw/zinc/66/73/43/388667343.db2.gz ZSTXXYCRBPODDJ-NKWVEPMBSA-N 1 0 226.305 0.538 20 70 BCIDRO C[C@H](C(=O)NC1CC1)N1CCC[C@@H]([NH3+])C1 ZINC000217529286 134248595 /nfs/dbraw/zinc/24/85/95/134248595.db2.gz AASLYYGOIAFZPA-RKDXNWHRSA-N 1 0 211.309 0.077 20 70 BCIDRO Cn1ccnc1CNC[C@@H]1CCC[N@@H+]1C ZINC000218234937 134252737 /nfs/dbraw/zinc/25/27/37/134252737.db2.gz NDDQJSRTGVSQFM-JTQLQIEISA-N 1 0 208.309 0.604 20 70 BCIDRO O=C([C@H]1C[C@H]1c1cccnc1)N1CC[NH2+]CC1 ZINC000159402348 134773599 /nfs/dbraw/zinc/77/35/99/134773599.db2.gz RHTDLDYWDFNFNE-RYUDHWBXSA-N 1 0 231.299 0.617 20 70 BCIDRO O=C(CCn1cncn1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160701386 398054267 /nfs/dbraw/zinc/05/42/67/398054267.db2.gz QKTXMBUGPUQXNM-PHIMTYICSA-N 1 0 249.318 0.021 20 70 BCIDRO CC(C)NC(=O)CCCC(=O)NCC(C)(C)[NH3+] ZINC000160000635 167039804 /nfs/dbraw/zinc/03/98/04/167039804.db2.gz RGRXEMSUDCFGEE-UHFFFAOYSA-N 1 0 243.351 0.535 20 70 BCIDRO CC[C@H](CCO)[NH2+][C@H]1CCCNC(=O)C1 ZINC000217801895 411268034 /nfs/dbraw/zinc/26/80/34/411268034.db2.gz KRYPNADGEKJRGJ-ZJUUUORDSA-N 1 0 214.309 0.406 20 70 BCIDRO CCCC(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000161045114 411291622 /nfs/dbraw/zinc/29/16/22/411291622.db2.gz GIWYQHYNXJYMKF-VHSXEESVSA-N 1 0 214.309 0.751 20 70 BCIDRO Cc1[nH+]c2c(n1CCC(N)=O)CCCC2 ZINC000216920712 411307053 /nfs/dbraw/zinc/30/70/53/411307053.db2.gz VDKRIODCFHMHGA-UHFFFAOYSA-N 1 0 207.277 0.946 20 70 BCIDRO CC1(NC(=O)[C@@H]2CCOC2)CC[NH2+]CC1 ZINC000160572972 168057996 /nfs/dbraw/zinc/05/79/96/168057996.db2.gz GEZYTMMYGWHRMA-SECBINFHSA-N 1 0 212.293 0.281 20 70 BCIDRO CC1(NC(=O)c2ccn[nH]2)CC[NH2+]CC1 ZINC000160571229 168061985 /nfs/dbraw/zinc/06/19/85/168061985.db2.gz SMVQESTVRWNLOP-UHFFFAOYSA-N 1 0 208.265 0.282 20 70 BCIDRO CCNC(=O)C[N@H+](CC)CCn1ccnc1 ZINC000160146802 170057844 /nfs/dbraw/zinc/05/78/44/170057844.db2.gz IUWCELUAHNHHBZ-UHFFFAOYSA-N 1 0 224.308 0.341 20 70 BCIDRO CCOC(=O)[C@@H](C)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000160801759 170245516 /nfs/dbraw/zinc/24/55/16/170245516.db2.gz DNEZDMCGLLZRQR-IUCAKERBSA-N 1 0 228.292 0.054 20 70 BCIDRO CCn1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cn1 ZINC000160235156 172151980 /nfs/dbraw/zinc/15/19/80/172151980.db2.gz GPYOXJDWXHUCAA-TXEJJXNPSA-N 1 0 248.330 0.870 20 70 BCIDRO C[NH2+]C[C@H](C)C(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000160842937 173374036 /nfs/dbraw/zinc/37/40/36/173374036.db2.gz KYRTZSYFXDSVQA-GVXVVHGQSA-N 1 0 242.363 0.899 20 70 BCIDRO COC1CCC(N(C)C(=O)[C@H](C)[NH3+])CC1 ZINC000160056039 174021272 /nfs/dbraw/zinc/02/12/72/174021272.db2.gz KVTUNHUKLWKGTB-IDKOKCKLSA-N 1 0 214.309 0.750 20 70 BCIDRO COCCC(=O)NC1(C)CC[NH2+]CC1 ZINC000160574847 174127985 /nfs/dbraw/zinc/12/79/85/174127985.db2.gz ALBDSFUHVCKPDL-UHFFFAOYSA-N 1 0 200.282 0.281 20 70 BCIDRO CO[C@@H](C)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000160934385 174680631 /nfs/dbraw/zinc/68/06/31/174680631.db2.gz RUKQLCXKISJAJH-XVKPBYJWSA-N 1 0 200.282 0.265 20 70 BCIDRO C[C@@H](OC[C@H]1CCCCO1)C(=O)NCCC[NH3+] ZINC000160171757 176003079 /nfs/dbraw/zinc/00/30/79/176003079.db2.gz LXGRRABCCSAENX-GHMZBOCLSA-N 1 0 244.335 0.426 20 70 BCIDRO Cc1cc(NC(=O)C[N@@H+](C)C(C)C)c[nH]c1=O ZINC000159774078 323047465 /nfs/dbraw/zinc/04/74/65/323047465.db2.gz MXUHOSUFTTZKMW-UHFFFAOYSA-N 1 0 237.303 0.962 20 70 BCIDRO CC[C@@H](C(=O)Nc1c[nH]c(=O)c(C)c1)[NH+](C)C ZINC000159837743 323050406 /nfs/dbraw/zinc/05/04/06/323050406.db2.gz BNBCOHXQPTYUIS-JTQLQIEISA-N 1 0 237.303 0.962 20 70 BCIDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(CO)o1 ZINC000160799986 323135831 /nfs/dbraw/zinc/13/58/31/323135831.db2.gz RUROXUKLWLMXJH-ZETCQYMHSA-N 1 0 212.249 0.125 20 70 BCIDRO CCCNS(=O)(=O)NCCC[NH2+]C(C)C ZINC000160825092 323136655 /nfs/dbraw/zinc/13/66/55/323136655.db2.gz AGMRYMLQZQMZEU-UHFFFAOYSA-N 1 0 237.369 0.209 20 70 BCIDRO COC[C@@H](O)C[N@@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000160977778 323141085 /nfs/dbraw/zinc/14/10/85/323141085.db2.gz QWLYJNZRFZPCMX-DCAQKATOSA-N 1 0 201.310 0.972 20 70 BCIDRO Cc1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)no1 ZINC000161145800 487479871 /nfs/dbraw/zinc/47/98/71/487479871.db2.gz NSGDOZSXZVOHQG-BDAKNGLRSA-N 1 0 223.276 0.983 20 70 BCIDRO C[C@@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)[NH+](C)C ZINC000161193630 487484971 /nfs/dbraw/zinc/48/49/71/487484971.db2.gz RDTJTLJIZMDPGV-GUBZILKMSA-N 1 0 213.325 0.323 20 70 BCIDRO Cn1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000161199676 487489842 /nfs/dbraw/zinc/48/98/42/487489842.db2.gz MPAVZZRPUPWIJR-VHSXEESVSA-N 1 0 222.292 0.420 20 70 BCIDRO COCCCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161499340 487501133 /nfs/dbraw/zinc/50/11/33/487501133.db2.gz XKPSVUATJPUFGX-ZJUUUORDSA-N 1 0 214.309 0.799 20 70 BCIDRO Cn1nccc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161501523 487501221 /nfs/dbraw/zinc/50/12/21/487501221.db2.gz QNANSLMYNOAMSL-IUCAKERBSA-N 1 0 222.292 0.420 20 70 BCIDRO CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)CO ZINC000160444949 534992987 /nfs/dbraw/zinc/99/29/87/534992987.db2.gz JJLWRBKUPOXYQD-SECBINFHSA-N 1 0 202.298 0.166 20 70 BCIDRO CCOCC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000159513900 535413265 /nfs/dbraw/zinc/41/32/65/535413265.db2.gz MVHUFIKVNDFJAB-BDAKNGLRSA-N 1 0 200.282 0.219 20 70 BCIDRO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000218044517 535451311 /nfs/dbraw/zinc/45/13/11/535451311.db2.gz AVJMRQDTPWUKKH-BDAKNGLRSA-N 1 0 228.292 0.135 20 70 BCIDRO CC[C@@H](C)NC(=O)CN1CCC[C@@H]([NH3+])C1 ZINC000217525199 535578170 /nfs/dbraw/zinc/57/81/70/535578170.db2.gz BXFJPPKUFSZGCV-NXEZZACHSA-N 1 0 213.325 0.324 20 70 BCIDRO CCC[C@H](O)CNC(=O)[C@H](C[NH3+])C(C)C ZINC000217965048 535714643 /nfs/dbraw/zinc/71/46/43/535714643.db2.gz PWWSPSLDKPHBON-VHSXEESVSA-N 1 0 216.325 0.495 20 70 BCIDRO CSCCCCNC(=O)C[NH2+]C1CC1 ZINC000159624149 343202404 /nfs/dbraw/zinc/20/24/04/343202404.db2.gz UPZZQQWMLMCKKA-UHFFFAOYSA-N 1 0 216.350 0.998 20 70 BCIDRO CSCCN(C)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000160014141 343202945 /nfs/dbraw/zinc/20/29/45/343202945.db2.gz DUZDLFSVFHISNE-BDAKNGLRSA-N 1 0 216.350 0.935 20 70 BCIDRO CC(C)NS(=O)(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000160948391 343203958 /nfs/dbraw/zinc/20/39/58/343203958.db2.gz UAZPDBPLLUPWMU-RKDXNWHRSA-N 1 0 235.353 0.041 20 70 BCIDRO CC(C)NS(=O)(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000160948642 343204254 /nfs/dbraw/zinc/20/42/54/343204254.db2.gz UAZPDBPLLUPWMU-BDAKNGLRSA-N 1 0 235.353 0.041 20 70 BCIDRO CCOC[C@H](O)C[NH2+][C@H]1CCCSC1 ZINC000161271577 133512393 /nfs/dbraw/zinc/51/23/93/133512393.db2.gz AJEAVUNBJPWJSV-VHSXEESVSA-N 1 0 219.350 0.869 20 70 BCIDRO CCOCCCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)O ZINC000159394215 345430390 /nfs/dbraw/zinc/43/03/90/345430390.db2.gz QNRYAKSCNZSVDV-GHMZBOCLSA-N 1 0 246.351 0.230 20 70 BCIDRO CCOCCCNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)O ZINC000159394366 345430765 /nfs/dbraw/zinc/43/07/65/345430765.db2.gz QNRYAKSCNZSVDV-MNOVXSKESA-N 1 0 246.351 0.230 20 70 BCIDRO C[C@H](O)CN(C)[C@@H](C)C(=O)Nc1ncccn1 ZINC000159405096 345432005 /nfs/dbraw/zinc/43/20/05/345432005.db2.gz ORXPJGRJGYIWJW-IUCAKERBSA-N 1 0 238.291 0.116 20 70 BCIDRO C[N@H+](CCNC(=O)N[C@@H]1CCOC1)C1CC1 ZINC000159423943 345433723 /nfs/dbraw/zinc/43/37/23/345433723.db2.gz KIMNDWJKZWKTKA-SECBINFHSA-N 1 0 227.308 0.169 20 70 BCIDRO CCCC[C@H](COC)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000159654339 345458377 /nfs/dbraw/zinc/45/83/77/345458377.db2.gz MBWZQFJILJISNT-GHMZBOCLSA-N 1 0 244.335 0.296 20 70 BCIDRO CC[C@@H](C)[C@H](O)CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000159818666 345474888 /nfs/dbraw/zinc/47/48/88/345474888.db2.gz VGPSCSOKZGSSEQ-GMTAPVOTSA-N 1 0 228.336 0.509 20 70 BCIDRO Cc1ncc(Cl)c(C(=O)NCCC[NH3+])n1 ZINC000160108275 345486407 /nfs/dbraw/zinc/48/64/07/345486407.db2.gz XPULDAPKXFCGFM-UHFFFAOYSA-N 1 0 228.683 0.517 20 70 BCIDRO [NH3+]C[C@H]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@H]3C2)O1 ZINC000159818160 345551493 /nfs/dbraw/zinc/55/14/93/345551493.db2.gz GIFYJRXLOFKXSW-YFKTTZPYSA-N 1 0 238.331 0.751 20 70 BCIDRO CC[C@H](C)[C@H](O)CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000159818783 345551507 /nfs/dbraw/zinc/55/15/07/345551507.db2.gz VGPSCSOKZGSSEQ-HBNTYKKESA-N 1 0 228.336 0.509 20 70 BCIDRO CC(C)S(=O)(=O)CCCN1CCC[C@@H]([NH3+])C1 ZINC000217937893 345744188 /nfs/dbraw/zinc/74/41/88/345744188.db2.gz QERMIRKEFRPCGW-LLVKDONJSA-N 1 0 248.392 0.623 20 70 BCIDRO COC(=O)[C@@H](NC(=O)C[NH3+])C1CCCCC1 ZINC000217831569 345744345 /nfs/dbraw/zinc/74/43/45/345744345.db2.gz BZDWUNFBUKICPP-JTQLQIEISA-N 1 0 228.292 0.183 20 70 BCIDRO CCc1nsc(N2CCN(C)CC2)n1 ZINC000218574080 345745211 /nfs/dbraw/zinc/74/52/11/345745211.db2.gz FYCSGQPWJHOWEG-UHFFFAOYSA-N 1 0 212.322 0.852 20 70 BCIDRO C[NH2+]CC(=O)Nc1ccc(OC)c(N)c1 ZINC000161168403 346031792 /nfs/dbraw/zinc/03/17/92/346031792.db2.gz HOCACAVSQITKFI-UHFFFAOYSA-N 1 0 209.249 0.435 20 70 BCIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc[nH]c(=O)c1 ZINC000159569392 346425285 /nfs/dbraw/zinc/42/52/85/346425285.db2.gz MNLAUBFUDAQMHO-LLVKDONJSA-N 1 0 249.314 0.589 20 70 BCIDRO CO[C@H](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160644979 349280154 /nfs/dbraw/zinc/28/01/54/349280154.db2.gz QEBLQGOPTDXTNT-MXWKQRLJSA-N 1 0 226.320 0.764 20 70 BCIDRO CCC(=O)N1CCC[N@H+](CC(OC)OC)CC1 ZINC000160651019 349280800 /nfs/dbraw/zinc/28/08/00/349280800.db2.gz VJVJMBXFLVNDON-UHFFFAOYSA-N 1 0 244.335 0.550 20 70 BCIDRO CC(C)[C@H](O)CCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000160898686 349336334 /nfs/dbraw/zinc/33/63/34/349336334.db2.gz OBQIALYKXLEFNK-WDEREUQCSA-N 1 0 228.336 0.509 20 70 BCIDRO CSCC[C@H]([NH3+])C(=O)NCC[C@H](O)C(C)C ZINC000160899573 349336484 /nfs/dbraw/zinc/33/64/84/349336484.db2.gz IAGQKMSOXULHGX-UWVGGRQHSA-N 1 0 248.392 0.590 20 70 BCIDRO O=C1CCN(CCC[NH+]2CCCCC2)CCN1 ZINC000160900961 349336901 /nfs/dbraw/zinc/33/69/01/349336901.db2.gz JJWOJUZPDHSSJQ-UHFFFAOYSA-N 1 0 239.363 0.684 20 70 BCIDRO CC(C)S(=O)(=O)CCCN1CCC[NH2+]CC1 ZINC000217938104 350077973 /nfs/dbraw/zinc/07/79/73/350077973.db2.gz VIBXBQUNPHLYLT-UHFFFAOYSA-N 1 0 248.392 0.495 20 70 BCIDRO Cc1nn(C)cc1C[NH2+]C1(CO)CCC1 ZINC000160169231 191110849 /nfs/dbraw/zinc/11/08/49/191110849.db2.gz HEYQUJNUCMKZOM-UHFFFAOYSA-N 1 0 209.293 0.733 20 70 BCIDRO CCOC(=O)CN(C)CCCc1cnn(C)c1 ZINC000159533810 350880542 /nfs/dbraw/zinc/88/05/42/350880542.db2.gz CDGBTXHUWTVCSD-UHFFFAOYSA-N 1 0 239.319 0.848 20 70 BCIDRO CC[N@@H+]1CCN(C(=S)NC)C[C@@H]1C ZINC000159746439 350992751 /nfs/dbraw/zinc/99/27/51/350992751.db2.gz PGCJMSIMADDEBU-QMMMGPOBSA-N 1 0 201.339 0.517 20 70 BCIDRO C[C@H](C[NH3+])C(=O)N1CCO[C@@H]2CCC[C@H]21 ZINC000218386238 363129565 /nfs/dbraw/zinc/12/95/65/363129565.db2.gz CDMHNSTZBRPWLR-OPRDCNLKSA-N 1 0 212.293 0.361 20 70 BCIDRO CC(C)OCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000159777171 538111471 /nfs/dbraw/zinc/11/14/71/538111471.db2.gz PLFNKTYXCVAIDB-SNVBAGLBSA-N 1 0 214.309 0.622 20 70 BCIDRO CC[N@H+](C)CCNC(=O)c1ccc(OC)nn1 ZINC000160147453 353308302 /nfs/dbraw/zinc/30/83/02/353308302.db2.gz YEGAATXBWSJTEM-UHFFFAOYSA-N 1 0 238.291 0.167 20 70 BCIDRO CC(C)([NH3+])CNC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC000159945178 188335105 /nfs/dbraw/zinc/33/51/05/188335105.db2.gz MUJPDUBQLLRYOY-MRVPVSSYSA-N 1 0 236.319 0.368 20 70 BCIDRO CCC[C@@H](O)C[NH2+]C[C@@H](O)COCC ZINC000217877329 357911893 /nfs/dbraw/zinc/91/18/93/357911893.db2.gz RIUKEFHHNCSFGL-NXEZZACHSA-N 1 0 205.298 0.134 20 70 BCIDRO CCC[C@H](O)CNC(=O)C1([NH3+])CCC1 ZINC000217966152 357917183 /nfs/dbraw/zinc/91/71/83/357917183.db2.gz WMKIBSOWJBXPTD-QMMMGPOBSA-N 1 0 200.282 0.145 20 70 BCIDRO CCC[C@H](O)C[NH2+]C[C@@H](O)C(F)(F)F ZINC000217917644 357917398 /nfs/dbraw/zinc/91/73/98/357917398.db2.gz YGOIIZWKXUTYTN-NKWVEPMBSA-N 1 0 215.215 0.660 20 70 BCIDRO CCN(CC[NH2+]C[C@@H](O)COC)C1CC1 ZINC000218512439 357964845 /nfs/dbraw/zinc/96/48/45/357964845.db2.gz WDOUWQMFJLUVPN-LLVKDONJSA-N 1 0 216.325 0.068 20 70 BCIDRO CC(C)[NH+]1CCN(Cc2nccn2C)CC1 ZINC000160765055 358442367 /nfs/dbraw/zinc/44/23/67/358442367.db2.gz YWXCPSCIFYECKF-UHFFFAOYSA-N 1 0 222.336 0.946 20 70 BCIDRO CCC[N@@H+](CC(=O)OC)C[C@H](C)CO ZINC000160926041 359308487 /nfs/dbraw/zinc/30/84/87/359308487.db2.gz DAZFYHYIMZPCLU-VIFPVBQESA-N 1 0 203.282 0.500 20 70 BCIDRO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CC(C)C ZINC000159481912 361239627 /nfs/dbraw/zinc/23/96/27/361239627.db2.gz KDSGQLOAZRIMSA-DTWKUNHWSA-N 1 0 201.266 0.251 20 70 BCIDRO Cc1nc(CN2CCO[C@H](C[NH3+])C2)cs1 ZINC000159513428 361245442 /nfs/dbraw/zinc/24/54/42/361245442.db2.gz IUPMREQTLBINKU-SNVBAGLBSA-N 1 0 227.333 0.611 20 70 BCIDRO CCOCC(=O)NCC1(C)CC[NH2+]CC1 ZINC000159979787 361296319 /nfs/dbraw/zinc/29/63/19/361296319.db2.gz RJXSAKOCBLNYPU-UHFFFAOYSA-N 1 0 214.309 0.529 20 70 BCIDRO CC(C)C[C@@H]1COCCN1C(=O)[C@@H](C)[NH3+] ZINC000159629554 361271800 /nfs/dbraw/zinc/27/18/00/361271800.db2.gz PTFOPGHVJZZTNE-NXEZZACHSA-N 1 0 214.309 0.607 20 70 BCIDRO CC(C)C[C@@H]1COCCN1C(=O)[C@H](C)[NH3+] ZINC000159629414 361272008 /nfs/dbraw/zinc/27/20/08/361272008.db2.gz PTFOPGHVJZZTNE-VHSXEESVSA-N 1 0 214.309 0.607 20 70 BCIDRO CCCS(=O)(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000159995255 361297303 /nfs/dbraw/zinc/29/73/03/361297303.db2.gz FUWVUGIBZNHYCG-SNVBAGLBSA-N 1 0 234.365 0.706 20 70 BCIDRO [NH3+]CC(=O)NCc1nc(C(F)(F)F)cs1 ZINC000161002521 181354322 /nfs/dbraw/zinc/35/43/22/181354322.db2.gz CXLAOLFCIFGEFA-UHFFFAOYSA-N 1 0 239.222 0.737 20 70 BCIDRO COC[C@@H](C)[NH2+]CCCN1CCCC1=O ZINC000159580249 201685548 /nfs/dbraw/zinc/68/55/48/201685548.db2.gz XYNKADOPOAMPCF-SNVBAGLBSA-N 1 0 214.309 0.623 20 70 BCIDRO CC(C)[NH2+][C@H](CC(N)=O)C1CCOCC1 ZINC000159749247 201689826 /nfs/dbraw/zinc/68/98/26/201689826.db2.gz RQCKIIRDXRZEPT-SNVBAGLBSA-N 1 0 214.309 0.655 20 70 BCIDRO O=C(NCC1=CC[NH2+]CC1)[C@H]1CCOC1 ZINC000160512896 182136000 /nfs/dbraw/zinc/13/60/00/182136000.db2.gz VNYYJRTVOXYDFI-JTQLQIEISA-N 1 0 210.277 0.059 20 70 BCIDRO O=C(NCC[C@@H](O)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000160852904 182199700 /nfs/dbraw/zinc/19/97/00/182199700.db2.gz QECSAXJVGCQFJI-CHWSQXEVSA-N 1 0 248.326 0.836 20 70 BCIDRO O=C(NCC[C@@H](O)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000160853190 182199818 /nfs/dbraw/zinc/19/98/18/182199818.db2.gz QECSAXJVGCQFJI-QWHCGFSZSA-N 1 0 248.326 0.836 20 70 BCIDRO O=C(NCC[C@H](O)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000160853347 182200232 /nfs/dbraw/zinc/20/02/32/182200232.db2.gz QECSAXJVGCQFJI-STQMWFEESA-N 1 0 248.326 0.836 20 70 BCIDRO CCCN(C(=O)[C@H](C)OC)[C@@H]1CC[NH2+]C1 ZINC000160930710 169044505 /nfs/dbraw/zinc/04/45/05/169044505.db2.gz IMTNBLYDXGFJQZ-VHSXEESVSA-N 1 0 214.309 0.622 20 70 BCIDRO CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCOC2)CC1 ZINC000160376714 169192728 /nfs/dbraw/zinc/19/27/28/169192728.db2.gz BKHQJLPFSPZCRU-GFCCVEGCSA-N 1 0 240.347 0.967 20 70 BCIDRO C[C@H](O)C[C@H](C)CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000160572654 384224115 /nfs/dbraw/zinc/22/41/15/384224115.db2.gz WMNLDIPDOWPBTL-DCAQKATOSA-N 1 0 228.336 0.652 20 70 BCIDRO C[C@H](C(=O)N(C)C)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159490509 384279873 /nfs/dbraw/zinc/27/98/73/384279873.db2.gz BLXXBHIXVQQMEK-VWYCJHECSA-N 1 0 228.336 0.556 20 70 BCIDRO COC(=O)[C@H](C)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000160603401 384281881 /nfs/dbraw/zinc/28/18/81/384281881.db2.gz PACGEABSSVQHPJ-HRDYMLBCSA-N 1 0 200.282 0.217 20 70 BCIDRO Cn1cccc(NC(=O)[C@H]2CCC[NH2+]C2)c1=O ZINC000159676278 384347761 /nfs/dbraw/zinc/34/77/61/384347761.db2.gz HQKLFBGYVPBSED-VIFPVBQESA-N 1 0 235.287 0.323 20 70 BCIDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)CN(C)C ZINC000217327602 384480112 /nfs/dbraw/zinc/48/01/12/384480112.db2.gz YVYMVLGAQFTXNE-UWVGGRQHSA-N 1 0 236.381 0.349 20 70 BCIDRO CSCC[NH+]1CCC(OCCO)CC1 ZINC000160286602 384546748 /nfs/dbraw/zinc/54/67/48/384546748.db2.gz ULNKSVWXXSQBAO-UHFFFAOYSA-N 1 0 219.350 0.823 20 70 BCIDRO C[C@H]([NH3+])C(=O)Nc1cnn(CC(F)F)c1 ZINC000160989625 384961791 /nfs/dbraw/zinc/96/17/91/384961791.db2.gz GYOBFDIMUDOSKQ-YFKPBYRVSA-N 1 0 218.207 0.434 20 70 BCIDRO CC(C)C[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000160950030 385925987 /nfs/dbraw/zinc/92/59/87/385925987.db2.gz FEOSAOJIKOKJDJ-WDEREUQCSA-N 1 0 228.336 0.604 20 70 BCIDRO C[C@H]([NH3+])C(=O)NC[C@@H](O)c1ccsc1 ZINC000161498963 386313135 /nfs/dbraw/zinc/31/31/35/386313135.db2.gz RVPOMFPBQFVPIX-POYBYMJQSA-N 1 0 214.290 0.245 20 70 BCIDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccnn1C ZINC000160903782 386540018 /nfs/dbraw/zinc/54/00/18/386540018.db2.gz ZVZVOULXRMBRKP-VXNVDRBHSA-N 1 0 210.281 0.732 20 70 BCIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC000161199313 386605223 /nfs/dbraw/zinc/60/52/23/386605223.db2.gz WXDAUXCJFYUEDW-BBBLOLIVSA-N 1 0 212.293 0.552 20 70 BCIDRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)C1CC1 ZINC000161236627 386737193 /nfs/dbraw/zinc/73/71/93/386737193.db2.gz AZMABYUJIUARNJ-SNVBAGLBSA-N 1 0 234.365 0.784 20 70 BCIDRO CO[C@]1(C[N@@H+]2CC[C@H](CO)C2)CCOC1 ZINC000159371549 388011653 /nfs/dbraw/zinc/01/16/53/388011653.db2.gz WKQCANUBMBQHAM-QWRGUYRKSA-N 1 0 215.293 0.106 20 70 BCIDRO CCCCN(CCOC)C(=O)[C@H](C)[NH3+] ZINC000159550905 388020545 /nfs/dbraw/zinc/02/05/45/388020545.db2.gz PGQQARLMTMOVKW-VIFPVBQESA-N 1 0 202.298 0.609 20 70 BCIDRO COC[C@@H](C)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000159555356 388021492 /nfs/dbraw/zinc/02/14/92/388021492.db2.gz DMAGUKDXWPDNTE-MWLCHTKSSA-N 1 0 214.309 0.670 20 70 BCIDRO C[C@@]1(C(=O)Nc2cn[nH]c2)CCCC[NH2+]1 ZINC000159570271 388022049 /nfs/dbraw/zinc/02/20/49/388022049.db2.gz UKBVWGXHPBWEGO-JTQLQIEISA-N 1 0 208.265 0.880 20 70 BCIDRO CC[N@H+](CCCO)CCn1ccnc1C ZINC000160376440 388060042 /nfs/dbraw/zinc/06/00/42/388060042.db2.gz ZZFKKZZGGFBROQ-UHFFFAOYSA-N 1 0 211.309 0.896 20 70 BCIDRO COC[C@H](C)[NH2+][C@H](CCO)CSC ZINC000160413989 388063865 /nfs/dbraw/zinc/06/38/65/388063865.db2.gz RSLWZFNYDDZSPZ-DTWKUNHWSA-N 1 0 207.339 0.725 20 70 BCIDRO CCC([NH3+])(CC)CNC(=O)CC(=O)N(C)C ZINC000160425632 388064672 /nfs/dbraw/zinc/06/46/72/388064672.db2.gz ONYRCDQNZIIOIY-UHFFFAOYSA-N 1 0 229.324 0.098 20 70 BCIDRO C[C@@H]1COC[C@H](C)N1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000160520797 388072629 /nfs/dbraw/zinc/07/26/29/388072629.db2.gz RMLZSCQDMJJTOM-OUAUKWLOSA-N 1 0 242.319 0.001 20 70 BCIDRO C[NH2+][C@@H]1CCN(C(=O)CCOCC(C)C)C1 ZINC000160525258 388073795 /nfs/dbraw/zinc/07/37/95/388073795.db2.gz NHVDZQGINIHARS-LLVKDONJSA-N 1 0 228.336 0.869 20 70 BCIDRO C[C@@H]([NH3+])C(=O)NCCc1ccc(Cl)nc1 ZINC000160527517 388073851 /nfs/dbraw/zinc/07/38/51/388073851.db2.gz UGKMMIVMEBQXPN-SSDOTTSWSA-N 1 0 227.695 0.741 20 70 BCIDRO CCCCOCC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000160558328 388074812 /nfs/dbraw/zinc/07/48/12/388074812.db2.gz ATYLNTVWNUBFQD-JTQLQIEISA-N 1 0 214.309 0.623 20 70 BCIDRO C[C@@H](CNC(=O)[C@H]1CCCC[NH2+]1)C[C@H](C)O ZINC000160567545 388074910 /nfs/dbraw/zinc/07/49/10/388074910.db2.gz RYKUPQFKDGXQPS-OUAUKWLOSA-N 1 0 228.336 0.652 20 70 BCIDRO CO[C@H](C)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000160924823 388101913 /nfs/dbraw/zinc/10/19/13/388101913.db2.gz CKSQEQLYYHSDHX-OPRDCNLKSA-N 1 0 214.309 0.526 20 70 BCIDRO CCCS(=O)(=O)NC[C@@H](C)C[NH2+]C ZINC000160140923 388047414 /nfs/dbraw/zinc/04/74/14/388047414.db2.gz QNQFBAYFUXNQOY-QMMMGPOBSA-N 1 0 208.327 0.171 20 70 BCIDRO [NH3+][C@@H](CNC(=O)c1csnn1)C1CC1 ZINC000160129219 388048653 /nfs/dbraw/zinc/04/86/53/388048653.db2.gz ILQXQMFMFQVPKO-LURJTMIESA-N 1 0 212.278 0.005 20 70 BCIDRO C[NH+]1CCC(CNC(=O)N[C@@H]2CCOC2)CC1 ZINC000159444428 397946789 /nfs/dbraw/zinc/94/67/89/397946789.db2.gz HDICXPIFIPUCOI-LLVKDONJSA-N 1 0 241.335 0.416 20 70 BCIDRO Cc1ocnc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161067346 487601098 /nfs/dbraw/zinc/60/10/98/487601098.db2.gz XVQLCQQGKNOHBG-DTWKUNHWSA-N 1 0 223.276 0.983 20 70 BCIDRO CCOC(=O)[C@@H](NC(=O)C[NH2+]C)[C@H](C)CC ZINC000161505442 170254920 /nfs/dbraw/zinc/25/49/20/170254920.db2.gz HFVDFOBZRQTXGU-SCZZXKLOSA-N 1 0 230.308 0.300 20 70 BCIDRO CC[C@H](CCO)[NH2+]Cc1cn(C)nc1C ZINC000160155057 171428488 /nfs/dbraw/zinc/42/84/88/171428488.db2.gz QAKSAFRWQUGXDV-LLVKDONJSA-N 1 0 211.309 0.979 20 70 BCIDRO CC[C@H](O)CC[NH2+]Cc1ncnn1CC ZINC000218774683 412121678 /nfs/dbraw/zinc/12/16/78/412121678.db2.gz YHKHGHHFABXBNF-VIFPVBQESA-N 1 0 212.297 0.549 20 70 BCIDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCn1ccnc1 ZINC000159732672 172383657 /nfs/dbraw/zinc/38/36/57/172383657.db2.gz BPZXXJURBMUGKJ-NSHDSACASA-N 1 0 236.319 0.436 20 70 BCIDRO COC1CCC(N(C)C(=O)[C@@H](C)[NH3+])CC1 ZINC000160056153 174020828 /nfs/dbraw/zinc/02/08/28/174020828.db2.gz KVTUNHUKLWKGTB-XNWIYYODSA-N 1 0 214.309 0.750 20 70 BCIDRO C[C@@H](Oc1cccnc1)C(=O)NCCC[NH3+] ZINC000160129797 176006161 /nfs/dbraw/zinc/00/61/61/176006161.db2.gz MJYRGMGHGMNROJ-SECBINFHSA-N 1 0 223.276 0.314 20 70 BCIDRO C[C@@H]1CC[C@@H](CCC(=O)NCCC[NH3+])O1 ZINC000160112042 176202593 /nfs/dbraw/zinc/20/25/93/176202593.db2.gz NUZBSHGNPVMNEG-ZJUUUORDSA-N 1 0 214.309 0.799 20 70 BCIDRO C[C@H]1CC[C@@H](CCC(=O)NCCC[NH3+])O1 ZINC000160112168 177188475 /nfs/dbraw/zinc/18/84/75/177188475.db2.gz NUZBSHGNPVMNEG-UWVGGRQHSA-N 1 0 214.309 0.799 20 70 BCIDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccon1 ZINC000160535521 177396684 /nfs/dbraw/zinc/39/66/84/177396684.db2.gz CEEITNOTOWDMFU-HTQZYQBOSA-N 1 0 209.249 0.545 20 70 BCIDRO CC[C@H]([NH3+])CNC(=O)c1oc(C)nc1C ZINC000159566876 323037360 /nfs/dbraw/zinc/03/73/60/323037360.db2.gz ZZGADFSRTILRIK-QMMMGPOBSA-N 1 0 211.265 0.759 20 70 BCIDRO CC(C)OC(=O)CC[N@H+](C)CC(C)(CO)CO ZINC000159598781 323040011 /nfs/dbraw/zinc/04/00/11/323040011.db2.gz FJPDXQJISDBSHZ-UHFFFAOYSA-N 1 0 247.335 0.251 20 70 BCIDRO CSCCN(C)C(=O)[C@H]1CCCC[NH2+]1 ZINC000159999321 323057188 /nfs/dbraw/zinc/05/71/88/323057188.db2.gz WOQNBDZFHGRYBB-SECBINFHSA-N 1 0 216.350 0.950 20 70 BCIDRO CC[C@H](C)OCC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000160102136 323060802 /nfs/dbraw/zinc/06/08/02/323060802.db2.gz YFYVFVGRAULNOQ-WDEREUQCSA-N 1 0 228.336 0.869 20 70 BCIDRO Cc1nn(C)cc1CN1CCC[C@@H]1C(N)=O ZINC000160310844 323064960 /nfs/dbraw/zinc/06/49/60/323064960.db2.gz YJPWFMSSOIZIKF-SNVBAGLBSA-N 1 0 222.292 0.178 20 70 BCIDRO Cn1cnnc1CN1CC[NH+](C2CCCC2)CC1 ZINC000160760024 323106151 /nfs/dbraw/zinc/10/61/51/323106151.db2.gz VXZLTEYAYZPXDP-UHFFFAOYSA-N 1 0 249.362 0.875 20 70 BCIDRO Cc1nccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000161085241 487476016 /nfs/dbraw/zinc/47/60/16/487476016.db2.gz QPLZWCQUMLWXKP-UWVGGRQHSA-N 1 0 234.303 0.785 20 70 BCIDRO Cc1ocnc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161067461 487474787 /nfs/dbraw/zinc/47/47/87/487474787.db2.gz XVQLCQQGKNOHBG-IUCAKERBSA-N 1 0 223.276 0.983 20 70 BCIDRO Cc1nccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000161085122 487475749 /nfs/dbraw/zinc/47/57/49/487475749.db2.gz QPLZWCQUMLWXKP-VHSXEESVSA-N 1 0 234.303 0.785 20 70 BCIDRO C[C@@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[NH+](C)C ZINC000161193504 487484248 /nfs/dbraw/zinc/48/42/48/487484248.db2.gz RDTJTLJIZMDPGV-LPEHRKFASA-N 1 0 213.325 0.323 20 70 BCIDRO [NH3+][C@H]1CCC[C@H](NC(=O)Cc2ccon2)C1 ZINC000160769220 488162224 /nfs/dbraw/zinc/16/22/24/488162224.db2.gz VLGXSSVFODYTJY-IUCAKERBSA-N 1 0 223.276 0.603 20 70 BCIDRO CO[C@H](C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000160923140 488178407 /nfs/dbraw/zinc/17/84/07/488178407.db2.gz SXRPJWZPZXILGD-BDAKNGLRSA-N 1 0 200.282 0.280 20 70 BCIDRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C ZINC000218769973 535835064 /nfs/dbraw/zinc/83/50/64/535835064.db2.gz CLJNJFTYRZOXQU-HBNTYKKESA-N 1 0 202.342 0.933 20 70 BCIDRO CC[C@H](COC)[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000160542492 536122592 /nfs/dbraw/zinc/12/25/92/536122592.db2.gz ABFBLLHIHDPSAC-MNOVXSKESA-N 1 0 238.335 0.916 20 70 BCIDRO CC[NH+](CC)CCNC(=O)N1CC[C@@H](CO)C1 ZINC000160845377 535533585 /nfs/dbraw/zinc/53/35/85/535533585.db2.gz SXWSZVRXHNNKDD-LLVKDONJSA-N 1 0 243.351 0.352 20 70 BCIDRO CCC[C@H](O)CNC(=O)[C@@H](C[NH3+])C(C)C ZINC000217964891 535711798 /nfs/dbraw/zinc/71/17/98/535711798.db2.gz PWWSPSLDKPHBON-UWVGGRQHSA-N 1 0 216.325 0.495 20 70 BCIDRO CCC[C@H](O)C[NH2+]CCS(=O)(=O)CC ZINC000217875899 592150878 /nfs/dbraw/zinc/15/08/78/592150878.db2.gz NDHHHMAKUVUCDT-VIFPVBQESA-N 1 0 223.338 0.172 20 70 BCIDRO CC[NH+](CC)CCOC(=O)CNC(C)=O ZINC000217997838 592151634 /nfs/dbraw/zinc/15/16/34/592151634.db2.gz WOUSSHANTFCBGB-UHFFFAOYSA-N 1 0 216.281 0.008 20 70 BCIDRO CC(=O)N1CCC[N@@H+](C[C@@H](C)CO)CC1 ZINC000160905100 538913139 /nfs/dbraw/zinc/91/31/39/538913139.db2.gz FXVDTUNWRJRIFW-SNVBAGLBSA-N 1 0 214.309 0.169 20 70 BCIDRO CC[C@H](O)CCNC(=O)C[NH2+]C1CC1 ZINC000159619081 343202362 /nfs/dbraw/zinc/20/23/62/343202362.db2.gz QCIPDHRLNUIMAN-VIFPVBQESA-N 1 0 200.282 0.016 20 70 BCIDRO CSCCN(C)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000159598469 343202444 /nfs/dbraw/zinc/20/24/44/343202444.db2.gz GGOCJNLFLBEBOI-SNVBAGLBSA-N 1 0 216.350 0.950 20 70 BCIDRO COCC(C)(C)NC(=O)C[NH2+]C1CC1 ZINC000159618331 343202640 /nfs/dbraw/zinc/20/26/40/343202640.db2.gz HTGQQDDLFLHXBP-UHFFFAOYSA-N 1 0 200.282 0.280 20 70 BCIDRO CSCCN(C)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000160014264 343202785 /nfs/dbraw/zinc/20/27/85/343202785.db2.gz DUZDLFSVFHISNE-IUCAKERBSA-N 1 0 216.350 0.935 20 70 BCIDRO Cc1cnccc1CNC(=O)CCC[NH3+] ZINC000160614023 343203477 /nfs/dbraw/zinc/20/34/77/343203477.db2.gz ISTRIIOZJZLQGB-UHFFFAOYSA-N 1 0 207.277 0.745 20 70 BCIDRO CO[C@H](C)C(=O)NCC1CC[NH2+]CC1 ZINC000160919372 343204287 /nfs/dbraw/zinc/20/42/87/343204287.db2.gz MCWSMXYXJBSJLW-MRVPVSSYSA-N 1 0 200.282 0.137 20 70 BCIDRO Cc1nn(C)cc1C[NH2+]C(C)(C)CCO ZINC000160158503 187358190 /nfs/dbraw/zinc/35/81/90/187358190.db2.gz GKDJNYSPSJLOIT-UHFFFAOYSA-N 1 0 211.309 0.979 20 70 BCIDRO CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)CO ZINC000160444775 534994795 /nfs/dbraw/zinc/99/47/95/534994795.db2.gz JJLWRBKUPOXYQD-VIFPVBQESA-N 1 0 202.298 0.166 20 70 BCIDRO C[N@H+](CCNC(=O)N[C@H]1CCOC1)C1CC1 ZINC000159424092 345433373 /nfs/dbraw/zinc/43/33/73/345433373.db2.gz KIMNDWJKZWKTKA-VIFPVBQESA-N 1 0 227.308 0.169 20 70 BCIDRO C[NH+](C)CC1CCC(NC(=O)NCCO)CC1 ZINC000159489584 345438371 /nfs/dbraw/zinc/43/83/71/345438371.db2.gz JXGRTZRSFNCVLR-UHFFFAOYSA-N 1 0 243.351 0.398 20 70 BCIDRO CNC(=O)[C@@H]1CCC[N@@H+]1CCOCC1CC1 ZINC000159555008 345440387 /nfs/dbraw/zinc/44/03/87/345440387.db2.gz FKPLXZMYAPUVGH-NSHDSACASA-N 1 0 226.320 0.623 20 70 BCIDRO NC(=O)NC(=O)CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159596726 345444999 /nfs/dbraw/zinc/44/49/99/345444999.db2.gz BJTPRGZQCMAIMN-UWVGGRQHSA-N 1 0 239.319 0.836 20 70 BCIDRO CC[C@H](C)[C@H](O)CNC(=O)[C@@H]([NH3+])CCSC ZINC000159817166 345555990 /nfs/dbraw/zinc/55/59/90/345555990.db2.gz ZJCKRIDUGOEVPG-LPEHRKFASA-N 1 0 248.392 0.590 20 70 BCIDRO CCCNC(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159753864 345512078 /nfs/dbraw/zinc/51/20/78/345512078.db2.gz FAPNEAIOGIRLRU-MNOVXSKESA-N 1 0 228.336 0.605 20 70 BCIDRO Cc1cc(CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)[nH]n1 ZINC000159939506 345697066 /nfs/dbraw/zinc/69/70/66/345697066.db2.gz JGPRNGHEVSYFDM-PHIMTYICSA-N 1 0 248.330 0.614 20 70 BCIDRO C[NH+](C)C/C=C\C(=O)N1CCC(O)CC1 ZINC000217134935 345744466 /nfs/dbraw/zinc/74/44/66/345744466.db2.gz KINKKUXPQCQLMK-ARJAWSKDSA-N 1 0 212.293 0.088 20 70 BCIDRO CCCC[C@@H](COC)NC(=O)[C@H](C)[NH3+] ZINC000161164550 346031780 /nfs/dbraw/zinc/03/17/80/346031780.db2.gz KJOGZEUCAVLDGE-IUCAKERBSA-N 1 0 202.298 0.655 20 70 BCIDRO Nc1ccccc1C(=O)N[C@H]1CC[NH2+]C1 ZINC000161268444 346166825 /nfs/dbraw/zinc/16/68/25/346166825.db2.gz YLWCFPWOGYOZAS-QMMMGPOBSA-N 1 0 205.261 0.361 20 70 BCIDRO CN(CC(=O)NC1(CO)CC1)Cc1ccccc1 ZINC000160298203 346360310 /nfs/dbraw/zinc/36/03/10/346360310.db2.gz FTPSNCOPLGOPQH-UHFFFAOYSA-N 1 0 248.326 0.760 20 70 BCIDRO O=C(c1cc[nH]n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160508498 348991498 /nfs/dbraw/zinc/99/14/98/348991498.db2.gz WDEVQUCBWHTYRM-DTORHVGOSA-N 1 0 220.276 0.376 20 70 BCIDRO CC[N@@H+]1CC[C@H](NCC(=O)NC(C)C)[C@H](C)C1 ZINC000160930286 349345344 /nfs/dbraw/zinc/34/53/44/349345344.db2.gz KYRHHKKILKPISR-NEPJUHHUSA-N 1 0 241.379 0.831 20 70 BCIDRO CN(C)C(=O)CC[N@@H+]1CCC[C@@](C)(O)C1 ZINC000160998834 349356091 /nfs/dbraw/zinc/35/60/91/349356091.db2.gz LDOVEGGQYITQCR-LLVKDONJSA-N 1 0 214.309 0.312 20 70 BCIDRO O=C1CN(CCC[NH+]2CCCCC2)CCN1 ZINC000161221284 349401643 /nfs/dbraw/zinc/40/16/43/349401643.db2.gz AJXPISMLIRPMAL-UHFFFAOYSA-N 1 0 225.336 0.294 20 70 BCIDRO Cc1nccn1CC[N@@H+](C)CC[C@@H](C)O ZINC000160390656 180250613 /nfs/dbraw/zinc/25/06/13/180250613.db2.gz NIXUAKZSOGWGDY-SNVBAGLBSA-N 1 0 211.309 0.894 20 70 BCIDRO Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)n(C)n1 ZINC000159496733 350774410 /nfs/dbraw/zinc/77/44/10/350774410.db2.gz ZTFGNYIPXJKXTI-PHIMTYICSA-N 1 0 248.330 0.695 20 70 BCIDRO COC(=O)[C@@H](NC(=O)[C@@H](C)[NH3+])C(C)(C)C ZINC000159908410 351024947 /nfs/dbraw/zinc/02/49/47/351024947.db2.gz XHIYDNPJGWOFLW-RNFRBKRXSA-N 1 0 216.281 0.038 20 70 BCIDRO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)C[NH3+] ZINC000161175926 188047123 /nfs/dbraw/zinc/04/71/23/188047123.db2.gz SAPJRVIHBFCREX-MWLCHTKSSA-N 1 0 228.336 0.903 20 70 BCIDRO C[C@@]1(C(=O)N2CCOCC2)CCCC[NH2+]1 ZINC000159549038 361252361 /nfs/dbraw/zinc/25/23/61/361252361.db2.gz RDAYDNJAWCROHB-NSHDSACASA-N 1 0 212.293 0.377 20 70 BCIDRO COCCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000159545520 361251325 /nfs/dbraw/zinc/25/13/25/361251325.db2.gz AHFLWIBBKJEKFJ-SNVBAGLBSA-N 1 0 200.282 0.281 20 70 BCIDRO CCCO[C@@H]1CCCN(C(=O)C[NH3+])CC1 ZINC000159469953 361238652 /nfs/dbraw/zinc/23/86/52/361238652.db2.gz LWFBTWUBBWWPPD-SNVBAGLBSA-N 1 0 214.309 0.753 20 70 BCIDRO COCCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000159545646 361251830 /nfs/dbraw/zinc/25/18/30/361251830.db2.gz AHFLWIBBKJEKFJ-JTQLQIEISA-N 1 0 200.282 0.281 20 70 BCIDRO Cc1nc(CN2CCO[C@@H](C[NH3+])C2)cs1 ZINC000159513580 361244919 /nfs/dbraw/zinc/24/49/19/361244919.db2.gz IUPMREQTLBINKU-JTQLQIEISA-N 1 0 227.333 0.611 20 70 BCIDRO [NH3+]C[C@H]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@@H]3C2)O1 ZINC000159818026 361291457 /nfs/dbraw/zinc/29/14/57/361291457.db2.gz GIFYJRXLOFKXSW-KXNHARMFSA-N 1 0 238.331 0.751 20 70 BCIDRO C[NH2+]C[C@@H](C)C(=O)N(C)CCSC ZINC000160001073 361297209 /nfs/dbraw/zinc/29/72/09/361297209.db2.gz AYNODFAISFFRBB-MRVPVSSYSA-N 1 0 204.339 0.663 20 70 BCIDRO CO[C@H](C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000159983813 361295283 /nfs/dbraw/zinc/29/52/83/361295283.db2.gz LIGHTHSOZHRABF-SECBINFHSA-N 1 0 214.309 0.527 20 70 BCIDRO CC(C)(C)OC(=O)CC[N@@H+]1CC[C@H](O)C1 ZINC000159613695 361268837 /nfs/dbraw/zinc/26/88/37/361268837.db2.gz GQWMSZZWGQBQES-VIFPVBQESA-N 1 0 215.293 0.785 20 70 BCIDRO CCCCS(=O)(=O)NCC1=CC[NH2+]CC1 ZINC000160519417 361317427 /nfs/dbraw/zinc/31/74/27/361317427.db2.gz CAKYNYLAYZYCBT-UHFFFAOYSA-N 1 0 232.349 0.626 20 70 BCIDRO Cc1nn(C)cc1C[NH2+][C@@H](C)CC(N)=O ZINC000160798240 361328343 /nfs/dbraw/zinc/32/83/43/361328343.db2.gz ZODWJQJNOWUNQE-ZETCQYMHSA-N 1 0 210.281 0.082 20 70 BCIDRO [NH3+]CC(=O)NC[C@H]1CCc2ccccc21 ZINC000159727235 181353691 /nfs/dbraw/zinc/35/36/91/181353691.db2.gz KAKCTKQIWIKXAV-SNVBAGLBSA-N 1 0 204.273 0.791 20 70 BCIDRO CSC[C@@](C)(O)C[NH2+]Cc1cncnc1 ZINC000217849355 372018834 /nfs/dbraw/zinc/01/88/34/372018834.db2.gz GYXZZOGJAGSTBW-JTQLQIEISA-N 1 0 227.333 0.680 20 70 BCIDRO O=C(NCC1=CC[NH2+]CC1)c1csnn1 ZINC000160514815 182135576 /nfs/dbraw/zinc/13/55/76/182135576.db2.gz ORQWQSUKBSHDQM-UHFFFAOYSA-N 1 0 224.289 0.188 20 70 BCIDRO CCOC(=O)[C@H](NC(=O)C[NH2+]C)[C@H](C)CC ZINC000161505658 170276807 /nfs/dbraw/zinc/27/68/07/170276807.db2.gz HFVDFOBZRQTXGU-PSASIEDQSA-N 1 0 230.308 0.300 20 70 BCIDRO CCCC[C@H](C[NH3+])NS(=O)(=O)NC(C)C ZINC000160931741 169003397 /nfs/dbraw/zinc/00/33/97/169003397.db2.gz CQCZUPRSZBPWFV-SECBINFHSA-N 1 0 237.369 0.336 20 70 BCIDRO CC[C@@H](CCO)NC(=O)C[N@H+](CC)C1CC1 ZINC000159412415 384097344 /nfs/dbraw/zinc/09/73/44/384097344.db2.gz RJYRKURIGNWXTC-JTQLQIEISA-N 1 0 228.336 0.748 20 70 BCIDRO COCCN(CCO)CCC[NH+]1CCCCC1 ZINC000160857037 384444202 /nfs/dbraw/zinc/44/42/02/384444202.db2.gz QCOVHKOGAGLWMR-UHFFFAOYSA-N 1 0 244.379 0.803 20 70 BCIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)Oc2cccnc2)C1 ZINC000160723073 384430655 /nfs/dbraw/zinc/43/06/55/384430655.db2.gz NSCFIACDWXQCNL-MNOVXSKESA-N 1 0 249.314 0.669 20 70 BCIDRO C[NH2+][C@@H]1CCN(C(=O)/C=C/c2ccnn2C)C1 ZINC000160750849 384435044 /nfs/dbraw/zinc/43/50/44/384435044.db2.gz NLDITMVAUJUFIK-HMDXOVGESA-N 1 0 234.303 0.254 20 70 BCIDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)CN(C)C ZINC000217327604 384479523 /nfs/dbraw/zinc/47/95/23/384479523.db2.gz YVYMVLGAQFTXNE-NXEZZACHSA-N 1 0 236.381 0.349 20 70 BCIDRO OCCCN(CCO)CCC[NH+]1CCCCC1 ZINC000161044190 384926091 /nfs/dbraw/zinc/92/60/91/384926091.db2.gz FUUMGVOVPWKRLC-UHFFFAOYSA-N 1 0 244.379 0.539 20 70 BCIDRO CCO[C@H]1C[C@@H](NC(=O)C[NH2+]C)C12CCC2 ZINC000160992582 385295993 /nfs/dbraw/zinc/29/59/93/385295993.db2.gz QIAMTADRUDLLPN-ZJUUUORDSA-N 1 0 226.320 0.670 20 70 BCIDRO C[C@]1(CNC(=O)C2([NH3+])CC2)CCCC[C@H]1O ZINC000160838273 386269185 /nfs/dbraw/zinc/26/91/85/386269185.db2.gz QCJYGBNVSJMBAA-MWLCHTKSSA-N 1 0 226.320 0.535 20 70 BCIDRO C[C@H](C[NH3+])C(=O)N1CCO[C@H]2CCC[C@H]21 ZINC000218386430 387045870 /nfs/dbraw/zinc/04/58/70/387045870.db2.gz CDMHNSTZBRPWLR-BBBLOLIVSA-N 1 0 212.293 0.361 20 70 BCIDRO CC[N@H+](CCCO)[C@@H]1CCCCNC1=O ZINC000160373442 387083216 /nfs/dbraw/zinc/08/32/16/387083216.db2.gz QBCNCXWJHYIZBC-SNVBAGLBSA-N 1 0 214.309 0.359 20 70 BCIDRO CN(CCC1CCOCC1)C(=O)[C@H]1CC[NH2+]C1 ZINC000160355625 387083297 /nfs/dbraw/zinc/08/32/97/387083297.db2.gz HITVSQOCGZLQAS-LBPRGKRZSA-N 1 0 240.347 0.871 20 70 BCIDRO CN1CCN(CCC[NH+]2CCCCC2)CC1=O ZINC000161215847 387147924 /nfs/dbraw/zinc/14/79/24/387147924.db2.gz QKUXFWFGMVJAEH-UHFFFAOYSA-N 1 0 239.363 0.636 20 70 BCIDRO C[C@H](O)C[C@H]1CCC[N@@H+]1CCCCO ZINC000159384275 388012097 /nfs/dbraw/zinc/01/20/97/388012097.db2.gz SEMHJSUWQHWTMA-WDEREUQCSA-N 1 0 201.310 0.994 20 70 BCIDRO CC[N@H+](C)CCNC(=O)N[C@H]1CCOC1 ZINC000159537538 388020641 /nfs/dbraw/zinc/02/06/41/388020641.db2.gz NBCSLIWBWDAPAF-VIFPVBQESA-N 1 0 215.297 0.026 20 70 BCIDRO CCC(CC)(C[NH2+]CC(N)=O)C(=O)OC ZINC000159663341 388026112 /nfs/dbraw/zinc/02/61/12/388026112.db2.gz ACQFVVXCFDCJBT-UHFFFAOYSA-N 1 0 216.281 0.041 20 70 BCIDRO O=C([C@H]1CSCN1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159870051 388035806 /nfs/dbraw/zinc/03/58/06/388035806.db2.gz YPEWXILLWQKYAF-KXUCPTDWSA-N 1 0 241.360 0.002 20 70 BCIDRO CC(C)(O)CC[NH2+]C(C)(C)CC(N)=O ZINC000160306117 388058494 /nfs/dbraw/zinc/05/84/94/388058494.db2.gz GUNXWOVXIIQPJS-UHFFFAOYSA-N 1 0 202.298 0.391 20 70 BCIDRO CO[C@H](C)C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000160938627 388104233 /nfs/dbraw/zinc/10/42/33/388104233.db2.gz AIECMXJHUUTJHD-MWLCHTKSSA-N 1 0 216.325 0.901 20 70 BCIDRO CO[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000160942140 388104466 /nfs/dbraw/zinc/10/44/66/388104466.db2.gz MHVDQRFEWMIZJS-AEJSXWLSSA-N 1 0 212.293 0.374 20 70 BCIDRO CCC([NH3+])(CC)CNS(=O)(=O)C1CC1 ZINC000160144977 388047684 /nfs/dbraw/zinc/04/76/84/388047684.db2.gz LPZAFXCBQBKKKX-UHFFFAOYSA-N 1 0 220.338 0.586 20 70 BCIDRO Cc1c(C[NH2+][C@H](C)[C@H](C)CO)cnn1C ZINC000160154782 388048415 /nfs/dbraw/zinc/04/84/15/388048415.db2.gz BBHMAZVJHWCFIC-RKDXNWHRSA-N 1 0 211.309 0.835 20 70 BCIDRO O=C([C@H]1CC[NH2+]C1)N1CCO[C@@H]2CCC[C@@H]21 ZINC000218264999 388579340 /nfs/dbraw/zinc/57/93/40/388579340.db2.gz SLQGJQDJMCQXCZ-GARJFASQSA-N 1 0 224.304 0.376 20 70 BCIDRO Cn1ccnc1CNC[C@H]1CCC[N@@H+]1C ZINC000218235016 134252726 /nfs/dbraw/zinc/25/27/26/134252726.db2.gz NDDQJSRTGVSQFM-SNVBAGLBSA-N 1 0 208.309 0.604 20 70 BCIDRO CC[NH+](CC)CC(=O)N[C@H](CO)CC(C)C ZINC000160990363 397773810 /nfs/dbraw/zinc/77/38/10/397773810.db2.gz MMFJRRUDUWRWMQ-NSHDSACASA-N 1 0 230.352 0.851 20 70 BCIDRO CCOC(=O)[C@@H](C)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000160802807 170245503 /nfs/dbraw/zinc/24/55/03/170245503.db2.gz NXQXIYPTGYAXRZ-IUCAKERBSA-N 1 0 230.308 0.285 20 70 BCIDRO CCOCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160149905 170342429 /nfs/dbraw/zinc/34/24/29/170342429.db2.gz ODNCQEBPVUWOHP-AOOOYVTPSA-N 1 0 212.293 0.376 20 70 BCIDRO C[C@H](C[NH2+][C@H](C)[C@H](C)O)N(C)C1CC1 ZINC000218584237 411918915 /nfs/dbraw/zinc/91/89/15/411918915.db2.gz REBPDKADEWDTRZ-BBBLOLIVSA-N 1 0 200.326 0.828 20 70 BCIDRO C[NH+]1CCN(CCNc2cccc(F)n2)CC1 ZINC000218114819 173081925 /nfs/dbraw/zinc/08/19/25/173081925.db2.gz XGUDXOVJSFDEOG-UHFFFAOYSA-N 1 0 238.310 0.880 20 70 BCIDRO C[C@@H](OC[C@@H]1CCCCO1)C(=O)NCCC[NH3+] ZINC000160171527 176003100 /nfs/dbraw/zinc/00/31/00/176003100.db2.gz LXGRRABCCSAENX-MNOVXSKESA-N 1 0 244.335 0.426 20 70 BCIDRO C[C@@H]1CC[C@H](CCC(=O)NCCC[NH3+])O1 ZINC000160111748 176222821 /nfs/dbraw/zinc/22/28/21/176222821.db2.gz NUZBSHGNPVMNEG-NXEZZACHSA-N 1 0 214.309 0.799 20 70 BCIDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccon1 ZINC000160535788 177395454 /nfs/dbraw/zinc/39/54/54/177395454.db2.gz CEEITNOTOWDMFU-SFYZADRCSA-N 1 0 209.249 0.545 20 70 BCIDRO CO[C@H](C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000160923387 487780172 /nfs/dbraw/zinc/78/01/72/487780172.db2.gz SXRPJWZPZXILGD-RKDXNWHRSA-N 1 0 200.282 0.280 20 70 BCIDRO O=C(C[NH2+]C1CC1)NC1CCSCC1 ZINC000159618661 323040671 /nfs/dbraw/zinc/04/06/71/323040671.db2.gz OQTHZWYFJFYQOW-UHFFFAOYSA-N 1 0 214.334 0.750 20 70 BCIDRO CCC[C@@H](O)CNC(=O)[C@@H](CC)[NH+](C)C ZINC000160421514 323066311 /nfs/dbraw/zinc/06/63/11/323066311.db2.gz OWYDQPQDRFVCQZ-NXEZZACHSA-N 1 0 216.325 0.604 20 70 BCIDRO OCC[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161323360 323075956 /nfs/dbraw/zinc/07/59/56/323075956.db2.gz IGTGYARLKLMUOQ-QMMMGPOBSA-N 1 0 227.226 0.614 20 70 BCIDRO CCOC(=O)[C@H](C)CNC(=O)[C@H]([NH3+])C(C)C ZINC000160802704 323135971 /nfs/dbraw/zinc/13/59/71/323135971.db2.gz NXQXIYPTGYAXRZ-RKDXNWHRSA-N 1 0 230.308 0.285 20 70 BCIDRO COC[C@@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000160977658 323141127 /nfs/dbraw/zinc/14/11/27/323141127.db2.gz QWLYJNZRFZPCMX-VWYCJHECSA-N 1 0 201.310 0.972 20 70 BCIDRO Cn1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000161199909 487484855 /nfs/dbraw/zinc/48/48/55/487484855.db2.gz MPAVZZRPUPWIJR-NXEZZACHSA-N 1 0 222.292 0.420 20 70 BCIDRO CCOCCOCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161484417 487499747 /nfs/dbraw/zinc/49/97/47/487499747.db2.gz SPJJRVIAIOCBBX-QWRGUYRKSA-N 1 0 244.335 0.426 20 70 BCIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Cc2ccon2)C1 ZINC000160769470 488162240 /nfs/dbraw/zinc/16/22/40/488162240.db2.gz VLGXSSVFODYTJY-BDAKNGLRSA-N 1 0 223.276 0.603 20 70 BCIDRO CCCC(=O)NCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000160870590 488173472 /nfs/dbraw/zinc/17/34/72/488173472.db2.gz FECTUVGSFFQIPX-NXEZZACHSA-N 1 0 241.335 0.289 20 70 BCIDRO CCCC(=O)NCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160870473 488173534 /nfs/dbraw/zinc/17/35/34/488173534.db2.gz FECTUVGSFFQIPX-UWVGGRQHSA-N 1 0 241.335 0.289 20 70 BCIDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(N)=O ZINC000218018542 536592506 /nfs/dbraw/zinc/59/25/06/536592506.db2.gz DZXRHLZMFDLEPZ-XHNCKOQMSA-N 1 0 200.282 0.407 20 70 BCIDRO CCC[C@H](O)C[NH2+][C@H]1CCCNC(=O)C1 ZINC000217862618 592150912 /nfs/dbraw/zinc/15/09/12/592150912.db2.gz VEOYLGXYXLVVCA-UWVGGRQHSA-N 1 0 214.309 0.406 20 70 BCIDRO COC(C[NH+]1CCC(CNC(C)=O)CC1)OC ZINC000217897537 592150914 /nfs/dbraw/zinc/15/09/14/592150914.db2.gz ZWOZPAPBHPVQSW-UHFFFAOYSA-N 1 0 244.335 0.453 20 70 BCIDRO C[NH+](C)CCCS(=O)(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000218128112 592152238 /nfs/dbraw/zinc/15/22/38/592152238.db2.gz MJHZGGFUEISGAO-AOOOYVTPSA-N 1 0 232.349 0.220 20 70 BCIDRO O=C(/C=C\c1ccco1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000218321144 592153236 /nfs/dbraw/zinc/15/32/36/592153236.db2.gz QGWDRIKQGMHTMY-XCPMARJRSA-N 1 0 232.283 0.971 20 70 BCIDRO CC(C)C[C@@H](O)C[NH2+]Cc1cncn1C ZINC000218168299 592153642 /nfs/dbraw/zinc/15/36/42/592153642.db2.gz KIQLCNVKWVWQSA-LLVKDONJSA-N 1 0 211.309 0.917 20 70 BCIDRO CCN1CC[N@H+](C[C@@H](C)CO)C[C@@H]1C ZINC000160974280 538913821 /nfs/dbraw/zinc/91/38/21/538913821.db2.gz AMMUEXRDXCWROH-MNOVXSKESA-N 1 0 200.326 0.641 20 70 BCIDRO CC(C)C[C@H](CNC(N)=[NH2+])N1CCOCC1 ZINC000161468945 349456475 /nfs/dbraw/zinc/45/64/75/349456475.db2.gz GCIQXTXCYNEHDE-SNVBAGLBSA-N 1 0 228.340 0.216 20 70 BCIDRO CCCC(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000161044862 398342050 /nfs/dbraw/zinc/34/20/50/398342050.db2.gz GIWYQHYNXJYMKF-NXEZZACHSA-N 1 0 214.309 0.751 20 70 BCIDRO CC[C@H](COC)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000160542293 133508318 /nfs/dbraw/zinc/50/83/18/133508318.db2.gz ABFBLLHIHDPSAC-GHMZBOCLSA-N 1 0 238.335 0.916 20 70 BCIDRO CO[C@@H](C)C(=O)NCCCC[NH+](C)C ZINC000160565210 133508702 /nfs/dbraw/zinc/50/87/02/133508702.db2.gz FPNYTKVRGBNSBS-VIFPVBQESA-N 1 0 202.298 0.479 20 70 BCIDRO C[NH+](C)CC(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000159391945 345429841 /nfs/dbraw/zinc/42/98/41/345429841.db2.gz AMJMYGJKMJBYRP-MNOVXSKESA-N 1 0 226.320 0.622 20 70 BCIDRO CCCNC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159753724 345511956 /nfs/dbraw/zinc/51/19/56/345511956.db2.gz FAPNEAIOGIRLRU-QWRGUYRKSA-N 1 0 228.336 0.605 20 70 BCIDRO COCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159732624 345505113 /nfs/dbraw/zinc/50/51/13/345505113.db2.gz SUNWOFXTFBQKRI-PHIMTYICSA-N 1 0 226.320 0.766 20 70 BCIDRO CC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000217966034 345744514 /nfs/dbraw/zinc/74/45/14/345744514.db2.gz FIRKEMUNTITUET-AWEZNQCLSA-N 1 0 248.326 0.760 20 70 BCIDRO CC(C)[C@@H](C(=O)N(C)CC[C@@H](C)O)[NH+](C)C ZINC000159953309 345714800 /nfs/dbraw/zinc/71/48/00/345714800.db2.gz SIEPHUSWZMDEGS-MNOVXSKESA-N 1 0 230.352 0.802 20 70 BCIDRO CCC(CC)(C[NH3+])C(=O)NCCCNC(C)=O ZINC000161180125 323150236 /nfs/dbraw/zinc/15/02/36/323150236.db2.gz WCEZICBTWDQKKF-UHFFFAOYSA-N 1 0 243.351 0.394 20 70 BCIDRO CO[C@@H](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160644847 349280620 /nfs/dbraw/zinc/28/06/20/349280620.db2.gz QEBLQGOPTDXTNT-GARJFASQSA-N 1 0 226.320 0.764 20 70 BCIDRO Nc1ccccc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000161262392 349411837 /nfs/dbraw/zinc/41/18/37/349411837.db2.gz BBSJCECYDLVCOD-SECBINFHSA-N 1 0 219.288 0.832 20 70 BCIDRO COC(=O)[C@@H](NC(=O)[C@H](C)[NH3+])C(C)(C)C ZINC000159908121 351025189 /nfs/dbraw/zinc/02/51/89/351025189.db2.gz XHIYDNPJGWOFLW-NKWVEPMBSA-N 1 0 216.281 0.038 20 70 BCIDRO C[NH+](C)CCCNC(=O)N[C@H]1CCOC1 ZINC000159533700 538877819 /nfs/dbraw/zinc/87/78/19/538877819.db2.gz HNMPLKCBFFWPDA-VIFPVBQESA-N 1 0 215.297 0.026 20 70 BCIDRO CCC[C@@H](O)C[NH2+]C[C@@H](O)C(F)(F)F ZINC000217917567 357917138 /nfs/dbraw/zinc/91/71/38/357917138.db2.gz YGOIIZWKXUTYTN-RNFRBKRXSA-N 1 0 215.215 0.660 20 70 BCIDRO CCOC(=O)[C@@H](C)N1CCC[C@@H](C[NH3+])C1 ZINC000217561629 535427381 /nfs/dbraw/zinc/42/73/81/535427381.db2.gz AHTFHHMMPJOXTA-ZJUUUORDSA-N 1 0 214.309 0.609 20 70 BCIDRO C[C@]1(C(=O)N2CCOCC2)CCCC[NH2+]1 ZINC000159548894 361252435 /nfs/dbraw/zinc/25/24/35/361252435.db2.gz RDAYDNJAWCROHB-LLVKDONJSA-N 1 0 212.293 0.377 20 70 BCIDRO CCOCC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000159514208 361245341 /nfs/dbraw/zinc/24/53/41/361245341.db2.gz MVHUFIKVNDFJAB-IUCAKERBSA-N 1 0 200.282 0.219 20 70 BCIDRO COCCC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000159515460 361245351 /nfs/dbraw/zinc/24/53/51/361245351.db2.gz PLODCYOOKWGOMW-BDAKNGLRSA-N 1 0 200.282 0.219 20 70 BCIDRO COCCC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000159515192 361245687 /nfs/dbraw/zinc/24/56/87/361245687.db2.gz PLODCYOOKWGOMW-RKDXNWHRSA-N 1 0 200.282 0.219 20 70 BCIDRO CO[C@@H](C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000159983694 361296173 /nfs/dbraw/zinc/29/61/73/361296173.db2.gz LIGHTHSOZHRABF-VIFPVBQESA-N 1 0 214.309 0.527 20 70 BCIDRO C[C@H](NC(=O)C[NH3+])C(=O)Nc1ccccc1 ZINC000159893722 361293876 /nfs/dbraw/zinc/29/38/76/361293876.db2.gz DQIYYKBROTVASH-QMMMGPOBSA-N 1 0 221.260 0.089 20 70 BCIDRO C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCCO1 ZINC000160137897 361300453 /nfs/dbraw/zinc/30/04/53/361300453.db2.gz PYZZSWLNDRDQFT-ZJUUUORDSA-N 1 0 214.309 0.527 20 70 BCIDRO COC(=O)[C@H]1CC[N@H+](CCSC)C1 ZINC000160843430 361329345 /nfs/dbraw/zinc/32/93/45/361329345.db2.gz FLMKXBJUNFIIBX-QMMMGPOBSA-N 1 0 203.307 0.844 20 70 BCIDRO CCOC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161285236 363914589 /nfs/dbraw/zinc/91/45/89/363914589.db2.gz YIXNFJKOQZZUCN-UHFFFAOYSA-N 1 0 249.314 0.767 20 70 BCIDRO [NH3+]CC(=O)NCCC(=O)Nc1ccccc1 ZINC000160022478 181352171 /nfs/dbraw/zinc/35/21/71/181352171.db2.gz SULVMERWZZOGFZ-UHFFFAOYSA-N 1 0 221.260 0.090 20 70 BCIDRO [NH3+]CCC(=O)NC[C@H](O)c1ccsc1 ZINC000161499215 181367590 /nfs/dbraw/zinc/36/75/90/181367590.db2.gz ZGVDPAWGTQBIDF-QMMMGPOBSA-N 1 0 214.290 0.247 20 70 BCIDRO [NH3+]CCCNC(=O)CSC[C@@H]1CCCCO1 ZINC000160128369 181381272 /nfs/dbraw/zinc/38/12/72/181381272.db2.gz SQFXVPSBDLZFGB-JTQLQIEISA-N 1 0 246.376 0.754 20 70 BCIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cnns2)C1 ZINC000161286438 181583552 /nfs/dbraw/zinc/58/35/52/181583552.db2.gz ZSTXXYCRBPODDJ-RQJHMYQMSA-N 1 0 226.305 0.538 20 70 BCIDRO CC[NH+](CC)CCNC(=O)N[C@H]1CCOC1 ZINC000159533416 206090914 /nfs/dbraw/zinc/09/09/14/206090914.db2.gz IOLRSKZNOBKYPP-JTQLQIEISA-N 1 0 229.324 0.416 20 70 BCIDRO CCOCC(=O)NC1(C)CC[NH2+]CC1 ZINC000160573533 170343505 /nfs/dbraw/zinc/34/35/05/170343505.db2.gz JSYNTKJTHPYBPU-UHFFFAOYSA-N 1 0 200.282 0.281 20 70 BCIDRO Cn1cnc2cc(C(=O)NCC[NH+](C)C)cnc21 ZINC000159673515 384347621 /nfs/dbraw/zinc/34/76/21/384347621.db2.gz WRNLLPUKXBIKBZ-UHFFFAOYSA-N 1 0 247.302 0.260 20 70 BCIDRO C[C@@H]([NH3+])C(=O)NCCc1cc(F)ccc1F ZINC000159668038 384348565 /nfs/dbraw/zinc/34/85/65/384348565.db2.gz PNKJNLXLNNQYNY-SSDOTTSWSA-N 1 0 228.242 0.971 20 70 BCIDRO C[N@H+](CCn1ccnc1)C[C@@H]1CCCO1 ZINC000159761166 384353585 /nfs/dbraw/zinc/35/35/85/384353585.db2.gz UWYYPRNDGZLUNW-NSHDSACASA-N 1 0 209.293 0.994 20 70 BCIDRO C[N@H+](CCn1ccnc1)C[C@H]1CCCO1 ZINC000159761323 384354418 /nfs/dbraw/zinc/35/44/18/384354418.db2.gz UWYYPRNDGZLUNW-LLVKDONJSA-N 1 0 209.293 0.994 20 70 BCIDRO Cn1nccc1/C=C/C(=O)N1CCC[C@H]1C[NH3+] ZINC000160350185 384402040 /nfs/dbraw/zinc/40/20/40/384402040.db2.gz YJGIHJQADFINQS-ZWNMCFTASA-N 1 0 234.303 0.383 20 70 BCIDRO C[C@H]([NH3+])C(=O)N1CCOc2cc(F)ccc21 ZINC000160815313 384436478 /nfs/dbraw/zinc/43/64/78/384436478.db2.gz PJEHHJXQVKRKRR-ZETCQYMHSA-N 1 0 224.235 0.898 20 70 BCIDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)CN(C)C ZINC000217327606 384480432 /nfs/dbraw/zinc/48/04/32/384480432.db2.gz YVYMVLGAQFTXNE-ZJUUUORDSA-N 1 0 236.381 0.349 20 70 BCIDRO [NH3+][C@@H]1CCN(C(=O)c2cc(-c3ccco3)n[nH]2)C1 ZINC000160281805 384741506 /nfs/dbraw/zinc/74/15/06/384741506.db2.gz BRTGCXJHLFMGLR-MRVPVSSYSA-N 1 0 246.270 0.843 20 70 BCIDRO CO[C@@H](C)C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000160938883 384860851 /nfs/dbraw/zinc/86/08/51/384860851.db2.gz AIECMXJHUUTJHD-GXSJLCMTSA-N 1 0 216.325 0.901 20 70 BCIDRO C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCOC1 ZINC000161167936 384866324 /nfs/dbraw/zinc/86/63/24/384866324.db2.gz MSOSWTKHZQUJQT-SECBINFHSA-N 1 0 211.261 0.993 20 70 BCIDRO CC(C)[N@H+](C)CC(=O)NCCSCCCO ZINC000161487701 385094666 /nfs/dbraw/zinc/09/46/66/385094666.db2.gz KPGKQUBJPBEMSY-UHFFFAOYSA-N 1 0 248.392 0.558 20 70 BCIDRO CC(C)[C@@H](O)CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000160896835 385266790 /nfs/dbraw/zinc/26/67/90/385266790.db2.gz ZWVDRTAMSREIJQ-QWRGUYRKSA-N 1 0 228.336 0.652 20 70 BCIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cn[nH]c1 ZINC000217403948 385883292 /nfs/dbraw/zinc/88/32/92/385883292.db2.gz RDRXSUIVVQZDGI-SECBINFHSA-N 1 0 224.308 0.870 20 70 BCIDRO CC(C)COC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CO ZINC000159802318 386011701 /nfs/dbraw/zinc/01/17/01/386011701.db2.gz WPZVWTCTIPLUJC-OLZOCXBDSA-N 1 0 245.363 0.867 20 70 BCIDRO C[C@H]([NH3+])C(=O)NC[C@H](O)c1ccsc1 ZINC000161498878 386314444 /nfs/dbraw/zinc/31/44/44/386314444.db2.gz RVPOMFPBQFVPIX-XPUUQOCRSA-N 1 0 214.290 0.245 20 70 BCIDRO CC[C@@H](C(=O)N[C@H]1CCN(C(C)=O)C1)[NH+](C)C ZINC000159492172 386467355 /nfs/dbraw/zinc/46/73/55/386467355.db2.gz KTGIFPRLOKKALK-QWRGUYRKSA-N 1 0 241.335 0.064 20 70 BCIDRO CC[C@H](C(=O)N[C@@H]1CCN(C(C)=O)C1)[NH+](C)C ZINC000159492043 386468563 /nfs/dbraw/zinc/46/85/63/386468563.db2.gz KTGIFPRLOKKALK-GHMZBOCLSA-N 1 0 241.335 0.064 20 70 BCIDRO C[C@@H]([NH3+])C(=O)NCc1ccccc1OCCO ZINC000161249345 386811828 /nfs/dbraw/zinc/81/18/28/386811828.db2.gz FQEDIHCPYSBOHJ-SECBINFHSA-N 1 0 238.287 0.021 20 70 BCIDRO CC[C@H](O)CCNC(=O)NC1CC[NH+](C)CC1 ZINC000160714879 387109688 /nfs/dbraw/zinc/10/96/88/387109688.db2.gz NRGJYJHYHUIRNX-NSHDSACASA-N 1 0 243.351 0.541 20 70 BCIDRO OCC[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161323484 387191028 /nfs/dbraw/zinc/19/10/28/387191028.db2.gz IGTGYARLKLMUOQ-MRVPVSSYSA-N 1 0 227.226 0.614 20 70 BCIDRO CCOC[C@H](O)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000160990265 387540913 /nfs/dbraw/zinc/54/09/13/387540913.db2.gz LDCHOWFXIYXCSL-GHMZBOCLSA-N 1 0 217.309 0.231 20 70 BCIDRO CC[NH+](CC)CCNC(=O)N[C@@H]1CCOC1 ZINC000159533281 388020211 /nfs/dbraw/zinc/02/02/11/388020211.db2.gz IOLRSKZNOBKYPP-SNVBAGLBSA-N 1 0 229.324 0.416 20 70 BCIDRO CC[C@H](C)[C@H](O)CNC(=O)[C@@H]([NH3+])CC ZINC000159819325 388030778 /nfs/dbraw/zinc/03/07/78/388030778.db2.gz XOBLRGBICQFXJZ-XHNCKOQMSA-N 1 0 202.298 0.247 20 70 BCIDRO CC[C@H](C)[C@@H](O)CNC(=O)[C@@H]([NH3+])CC ZINC000159819189 388031761 /nfs/dbraw/zinc/03/17/61/388031761.db2.gz XOBLRGBICQFXJZ-CIUDSAMLSA-N 1 0 202.298 0.247 20 70 BCIDRO CC[C@@](C)(O)C[NH+]1CCC(C(=O)NC)CC1 ZINC000160440455 388067413 /nfs/dbraw/zinc/06/74/13/388067413.db2.gz YWUJBLMOFRFHBS-GFCCVEGCSA-N 1 0 228.336 0.605 20 70 BCIDRO O=C1CC[N@H+](CCOCC2CC2)CCN1 ZINC000160470830 388068476 /nfs/dbraw/zinc/06/84/76/388068476.db2.gz BJDGFQWNIGPXLF-UHFFFAOYSA-N 1 0 212.293 0.235 20 70 BCIDRO CO[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160469707 388068896 /nfs/dbraw/zinc/06/88/96/388068896.db2.gz GQPHVGXEBFZQTG-LPEHRKFASA-N 1 0 212.293 0.374 20 70 BCIDRO C[C@H]([NH3+])C(=O)NCCc1ccc(Cl)nc1 ZINC000160526150 388073487 /nfs/dbraw/zinc/07/34/87/388073487.db2.gz UGKMMIVMEBQXPN-ZETCQYMHSA-N 1 0 227.695 0.741 20 70 BCIDRO O[C@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000160917239 388101399 /nfs/dbraw/zinc/10/13/99/388101399.db2.gz ITEFNJCVSXUXFV-LBPRGKRZSA-N 1 0 212.337 0.929 20 70 BCIDRO CO[C@@H](C)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000160935746 388103349 /nfs/dbraw/zinc/10/33/49/388103349.db2.gz AOBUGPKVVFIMQS-DTWKUNHWSA-N 1 0 202.298 0.511 20 70 BCIDRO CO[C@H](C)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000160944015 388104491 /nfs/dbraw/zinc/10/44/91/388104491.db2.gz XIZDQYKMZMMYSW-NXEZZACHSA-N 1 0 216.325 0.853 20 70 BCIDRO CC(C)([NH3+])CNC(=O)COCC1CC1 ZINC000160114470 388045990 /nfs/dbraw/zinc/04/59/90/388045990.db2.gz QEGGSOJTBNNETA-UHFFFAOYSA-N 1 0 200.282 0.267 20 70 BCIDRO CCCNS(=O)(=O)NCC([NH3+])(CC)CC ZINC000160941133 133510988 /nfs/dbraw/zinc/51/09/88/133510988.db2.gz DQLSNMYEXZVPRU-UHFFFAOYSA-N 1 0 237.369 0.338 20 70 BCIDRO CCCNC(=O)[C@H](C)N1CCC[C@@H]([NH3+])C1 ZINC000217527589 134248665 /nfs/dbraw/zinc/24/86/65/134248665.db2.gz WPXAJPDJRGLYRD-VHSXEESVSA-N 1 0 213.325 0.324 20 70 BCIDRO CCOC(=O)CN(C(=O)C[NH+](C)C)C1CC1 ZINC000218013451 134251396 /nfs/dbraw/zinc/25/13/96/134251396.db2.gz XINVXKNRTJERND-UHFFFAOYSA-N 1 0 228.292 0.102 20 70 BCIDRO CCOC(=O)CN(C(=O)C[NH+](C)C)C(C)C ZINC000218011918 134251567 /nfs/dbraw/zinc/25/15/67/134251567.db2.gz VVTGYKACSFDAPP-UHFFFAOYSA-N 1 0 230.308 0.348 20 70 BCIDRO CC[C@H](O)CCNC(=O)NCC[NH+](CC)CC ZINC000160638281 398048903 /nfs/dbraw/zinc/04/89/03/398048903.db2.gz VJVISRSZXMOWJN-NSHDSACASA-N 1 0 245.367 0.788 20 70 BCIDRO Cc1cnc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cn1 ZINC000160437186 411150095 /nfs/dbraw/zinc/15/00/95/411150095.db2.gz OEOFBWIARZNFKA-PHIMTYICSA-N 1 0 246.314 0.752 20 70 BCIDRO CC[C@H](O)CC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000218776386 411198147 /nfs/dbraw/zinc/19/81/47/411198147.db2.gz GOLDVGCKTBHZDW-ZJUUUORDSA-N 1 0 214.309 0.406 20 70 BCIDRO CC1(NC(=O)c2csnn2)CC[NH2+]CC1 ZINC000160576207 168062576 /nfs/dbraw/zinc/06/25/76/168062576.db2.gz PFOGRMXQYWTHCM-UHFFFAOYSA-N 1 0 226.305 0.410 20 70 BCIDRO CCOCCC(=O)NC1(C)CC[NH2+]CC1 ZINC000160576328 170360087 /nfs/dbraw/zinc/36/00/87/170360087.db2.gz IGALXSLBLCJHMO-UHFFFAOYSA-N 1 0 214.309 0.671 20 70 BCIDRO Cc1noc(CN2CC[C@H]([NH3+])C[C@H]2C)n1 ZINC000218610115 411942037 /nfs/dbraw/zinc/94/20/37/411942037.db2.gz LVYMKIRHNQKENC-APPZFPTMSA-N 1 0 210.281 0.690 20 70 BCIDRO CC[C@H](O)C[NH2+]C[C@H](C)N(C)C1CC1 ZINC000218674808 412013853 /nfs/dbraw/zinc/01/38/53/412013853.db2.gz JXAHQODTLUYLQU-ONGXEEELSA-N 1 0 200.326 0.830 20 70 BCIDRO CC[C@@](C)(O)C[N@H+](C)C[C@@H](C)C(=O)NC ZINC000161395881 171177731 /nfs/dbraw/zinc/17/77/31/171177731.db2.gz VOLYCBQSMGIPJN-MWLCHTKSSA-N 1 0 216.325 0.461 20 70 BCIDRO C[NH+](C)CCCNC(=O)c1ccncc1F ZINC000161422171 172439850 /nfs/dbraw/zinc/43/98/50/172439850.db2.gz CORXKTBUJIECNA-UHFFFAOYSA-N 1 0 225.267 0.902 20 70 BCIDRO CNC(=O)CC[N@H+](C)CCOCC1CC1 ZINC000160409921 173246301 /nfs/dbraw/zinc/24/63/01/173246301.db2.gz NZIIXGICSMZUAT-UHFFFAOYSA-N 1 0 214.309 0.481 20 70 BCIDRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)OC)C1 ZINC000160916331 173368130 /nfs/dbraw/zinc/36/81/30/173368130.db2.gz JJNMMFRDZCPNMA-ZJUUUORDSA-N 1 0 214.309 0.479 20 70 BCIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)OC ZINC000160943229 173369100 /nfs/dbraw/zinc/36/91/00/173369100.db2.gz HMNWJLDLLUXNIU-IUCAKERBSA-N 1 0 200.282 0.232 20 70 BCIDRO C[NH2+]C[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C(N)=O ZINC000160871633 173374982 /nfs/dbraw/zinc/37/49/82/173374982.db2.gz SYSNYAGFTIVXDF-GUBZILKMSA-N 1 0 241.335 0.002 20 70 BCIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCOCCOC ZINC000161348151 173379695 /nfs/dbraw/zinc/37/96/95/173379695.db2.gz AIOMNRSJNVVVPW-LLVKDONJSA-N 1 0 244.335 0.250 20 70 BCIDRO COC(=O)Cc1cccc(NC(=O)[C@@H](C)[NH3+])c1 ZINC000159642809 173643341 /nfs/dbraw/zinc/64/33/41/173643341.db2.gz FQZYAEGKSJKQQW-MRVPVSSYSA-N 1 0 236.271 0.688 20 70 BCIDRO C[C@@H]([NH3+])C(=O)NC[C@@H](O)c1ccsc1 ZINC000161499513 175798370 /nfs/dbraw/zinc/79/83/70/175798370.db2.gz RVPOMFPBQFVPIX-HTRCEHHLSA-N 1 0 214.290 0.245 20 70 BCIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCOCC1CC1 ZINC000160526450 176222402 /nfs/dbraw/zinc/22/24/02/176222402.db2.gz KSOJZCNKFMUPQD-PWSUYJOCSA-N 1 0 240.347 0.999 20 70 BCIDRO C[C@H](CC(=O)N(C)C)[NH2+]CC(C)(C)O ZINC000160633363 176598210 /nfs/dbraw/zinc/59/82/10/176598210.db2.gz HGRMPAMZFBRILL-MRVPVSSYSA-N 1 0 202.298 0.214 20 70 BCIDRO C[C@H](OC[C@@H]1CCCCO1)C(=O)NCCC[NH3+] ZINC000160171385 177021310 /nfs/dbraw/zinc/02/13/10/177021310.db2.gz LXGRRABCCSAENX-QWRGUYRKSA-N 1 0 244.335 0.426 20 70 BCIDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccn[nH]1 ZINC000160532693 177394886 /nfs/dbraw/zinc/39/48/86/177394886.db2.gz KSMLWMZJSNGVTR-SFYZADRCSA-N 1 0 208.265 0.280 20 70 BCIDRO CSCCN(C)C(=O)C1CC[NH2+]CC1 ZINC000159595121 323029681 /nfs/dbraw/zinc/02/96/81/323029681.db2.gz BCUPBQIFURAGTA-UHFFFAOYSA-N 1 0 216.350 0.807 20 70 BCIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc[nH]n1 ZINC000159695450 323044099 /nfs/dbraw/zinc/04/40/99/323044099.db2.gz MHOAMTPSXJNXAD-IUCAKERBSA-N 1 0 222.292 0.496 20 70 BCIDRO Cc1ccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)nc1 ZINC000159864743 323050921 /nfs/dbraw/zinc/05/09/21/323050921.db2.gz NLAQZZVEKRGGED-SNVBAGLBSA-N 1 0 219.288 0.697 20 70 BCIDRO CSCCN(C)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000159999174 323057244 /nfs/dbraw/zinc/05/72/44/323057244.db2.gz WOQNBDZFHGRYBB-VIFPVBQESA-N 1 0 216.350 0.950 20 70 BCIDRO CSCCN(C)C(=O)CCCC[NH3+] ZINC000160005450 323057299 /nfs/dbraw/zinc/05/72/99/323057299.db2.gz NJBINEKAMPVRRP-UHFFFAOYSA-N 1 0 204.339 0.937 20 70 BCIDRO C[C@@H](CNC(=O)c1nnc[nH]1)[NH+]1CCCC1 ZINC000161472911 323076037 /nfs/dbraw/zinc/07/60/37/323076037.db2.gz RNDXTJVRNZFYRJ-QMMMGPOBSA-N 1 0 223.280 0.019 20 70 BCIDRO C[C@H]([NH3+])C(=O)Nc1nncn1Cc1ccccc1 ZINC000161153833 323149496 /nfs/dbraw/zinc/14/94/96/323149496.db2.gz PQCJNBQQIRCOJT-VIFPVBQESA-N 1 0 245.286 0.612 20 70 BCIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cnccn2)C1 ZINC000161235481 487485823 /nfs/dbraw/zinc/48/58/23/487485823.db2.gz PRWFLCFYEZBFGR-IUCAKERBSA-N 1 0 220.276 0.476 20 70 BCIDRO COCCCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161499247 487501039 /nfs/dbraw/zinc/50/10/39/487501039.db2.gz XKPSVUATJPUFGX-NXEZZACHSA-N 1 0 214.309 0.799 20 70 BCIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)OCC2CC2)C1 ZINC000160619600 488149713 /nfs/dbraw/zinc/14/97/13/488149713.db2.gz WTIZQIUUINTSER-MWLCHTKSSA-N 1 0 226.320 0.622 20 70 BCIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cc2ccon2)C1 ZINC000160769096 488162043 /nfs/dbraw/zinc/16/20/43/488162043.db2.gz VLGXSSVFODYTJY-DTWKUNHWSA-N 1 0 223.276 0.603 20 70 BCIDRO CCO[C@H](C)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160875041 488174570 /nfs/dbraw/zinc/17/45/70/488174570.db2.gz RYZIHQHUMPZJAA-KXUCPTDWSA-N 1 0 214.309 0.798 20 70 BCIDRO CCOC(=O)[C@@H](C)CNC(=O)CC[NH2+]C(C)C ZINC000160800680 490563592 /nfs/dbraw/zinc/56/35/92/490563592.db2.gz VJGOVNFEPGXQIL-JTQLQIEISA-N 1 0 244.335 0.690 20 70 BCIDRO CCC[NH2+]CCNC(=O)c1ocnc1C ZINC000159558821 535172685 /nfs/dbraw/zinc/17/26/85/535172685.db2.gz JZAMILMSQAWLJT-UHFFFAOYSA-N 1 0 211.265 0.712 20 70 BCIDRO CCC[C@@H](O)CNC(=O)[C@H](C[NH3+])C(C)C ZINC000217964977 535386632 /nfs/dbraw/zinc/38/66/32/535386632.db2.gz PWWSPSLDKPHBON-NXEZZACHSA-N 1 0 216.325 0.495 20 70 BCIDRO COC(C[NH2+]C(C)(C)C(C)(C)O)OC ZINC000218056238 592151752 /nfs/dbraw/zinc/15/17/52/592151752.db2.gz DXHGJPBLXDJOSD-UHFFFAOYSA-N 1 0 205.298 0.744 20 70 BCIDRO CC(C)C[C@H](O)C[NH2+]Cc1nccn1C ZINC000218250442 592153199 /nfs/dbraw/zinc/15/31/99/592153199.db2.gz RSFPDQWEARKPON-JTQLQIEISA-N 1 0 211.309 0.917 20 70 BCIDRO CC(C)C[NH+]1CCN(C[C@H](C)CO)CC1 ZINC000160904822 538913288 /nfs/dbraw/zinc/91/32/88/538913288.db2.gz HPNCBJCREORRDN-LBPRGKRZSA-N 1 0 214.353 0.888 20 70 BCIDRO COCCN(C)CC[NH2+][C@H](C)C1CCOCC1 ZINC000159431065 136214353 /nfs/dbraw/zinc/21/43/53/136214353.db2.gz POAIHPXGYVVXLV-GFCCVEGCSA-N 1 0 244.379 0.969 20 70 BCIDRO CC[C@](C)(O)C[NH+]1CCC(NC(N)=O)CC1 ZINC000161456794 398282857 /nfs/dbraw/zinc/28/28/57/398282857.db2.gz BFRLSGWUDOCGMX-NSHDSACASA-N 1 0 229.324 0.280 20 70 BCIDRO CC[C@@H](O)C[NH2+][C@@H](C)CS(=O)(=O)CC ZINC000217327681 342919704 /nfs/dbraw/zinc/91/97/04/342919704.db2.gz YSZZCSLAEUDVKX-DTWKUNHWSA-N 1 0 223.338 0.170 20 70 BCIDRO COCCC1(C(=O)NC[C@@H]2CC[N@H+](C)C2)CC1 ZINC000159544321 323036261 /nfs/dbraw/zinc/03/62/61/323036261.db2.gz WQYYFAZSVMFCBW-NSHDSACASA-N 1 0 240.347 0.871 20 70 BCIDRO CSC[C@H](C)NC(=O)C[NH2+]C1CC1 ZINC000159624582 343202395 /nfs/dbraw/zinc/20/23/95/343202395.db2.gz HXRJSGNBVOLUJP-ZETCQYMHSA-N 1 0 202.323 0.606 20 70 BCIDRO CSCCN(C)C(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000160010181 343202776 /nfs/dbraw/zinc/20/27/76/343202776.db2.gz FHATUBGYWJAANV-BDAKNGLRSA-N 1 0 216.350 0.806 20 70 BCIDRO CC(C)NS(=O)(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000160948515 343204135 /nfs/dbraw/zinc/20/41/35/343204135.db2.gz UAZPDBPLLUPWMU-DTWKUNHWSA-N 1 0 235.353 0.041 20 70 BCIDRO COC(=O)C1(N(C)CC(=O)N(C)C)CCCC1 ZINC000159373335 345428400 /nfs/dbraw/zinc/42/84/00/345428400.db2.gz HLLAUKATMOCDQO-UHFFFAOYSA-N 1 0 242.319 0.492 20 70 BCIDRO CC(C)[NH+]1CCN(C(=O)N[C@H]2CCOC2)CC1 ZINC000159460778 345437684 /nfs/dbraw/zinc/43/76/84/345437684.db2.gz GZFWKTJPHPKYNS-NSHDSACASA-N 1 0 241.335 0.511 20 70 BCIDRO CC[C@H](C)[C@@H](O)CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000159819021 345552370 /nfs/dbraw/zinc/55/23/70/345552370.db2.gz VGPSCSOKZGSSEQ-AXFHLTTASA-N 1 0 228.336 0.509 20 70 BCIDRO CC[C@H](C(N)=O)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159864742 345573342 /nfs/dbraw/zinc/57/33/42/345573342.db2.gz GQRHLETYYAGXMH-AEJSXWLSSA-N 1 0 214.309 0.343 20 70 BCIDRO CC(C)CC(=O)NCCC(=O)NCC(C)(C)[NH3+] ZINC000159939665 345697717 /nfs/dbraw/zinc/69/77/17/345697717.db2.gz RGCVBGNNIABVMD-UHFFFAOYSA-N 1 0 243.351 0.392 20 70 BCIDRO [NH3+]CCCNC(=O)[C@@H]1C[C@@H]1c1cccnc1 ZINC000160102876 345798405 /nfs/dbraw/zinc/79/84/05/345798405.db2.gz GKKODPWLXOAINO-GHMZBOCLSA-N 1 0 219.288 0.650 20 70 BCIDRO CSCCN(C)C(=O)C1([NH3+])CCC1 ZINC000160010431 346438656 /nfs/dbraw/zinc/43/86/56/346438656.db2.gz UOJBAJCLTOQTMJ-UHFFFAOYSA-N 1 0 202.323 0.689 20 70 BCIDRO CCOC(=O)c1ccc(CNC(=O)[C@@H](C)[NH3+])o1 ZINC000159574960 350903443 /nfs/dbraw/zinc/90/34/43/350903443.db2.gz WGUZCDSHJBHXMM-SSDOTTSWSA-N 1 0 240.259 0.420 20 70 BCIDRO COC(=O)[C@H](C)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000217409447 363126643 /nfs/dbraw/zinc/12/66/43/363126643.db2.gz VBLQBTIPUARJIW-WDEREUQCSA-N 1 0 226.320 0.718 20 70 BCIDRO CC(C)(C)c1cnc(CNC(=O)C[NH3+])o1 ZINC000160636437 188221102 /nfs/dbraw/zinc/22/11/02/188221102.db2.gz RGYNIIVCNBIFQR-UHFFFAOYSA-N 1 0 211.265 0.547 20 70 BCIDRO CC(C)([NH3+])CNC(=O)CC[C@H]1CCOC1 ZINC000160052532 188514280 /nfs/dbraw/zinc/51/42/80/188514280.db2.gz ZWZUWTQGHAIAEE-VIFPVBQESA-N 1 0 214.309 0.657 20 70 BCIDRO Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)on1 ZINC000160336861 355931806 /nfs/dbraw/zinc/93/18/06/355931806.db2.gz NDJBMZIJYMFPDL-AOOOYVTPSA-N 1 0 235.287 0.950 20 70 BCIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cncnc1 ZINC000159507758 538878065 /nfs/dbraw/zinc/87/80/65/538878065.db2.gz AYIHJDKBZFXSHL-ONGXEEELSA-N 1 0 234.303 0.562 20 70 BCIDRO CC[C@H](O)C[NH2+]CCN(CC)C1CC1 ZINC000218384973 357923866 /nfs/dbraw/zinc/92/38/66/357923866.db2.gz LOTZPEOWSNVBJL-NSHDSACASA-N 1 0 200.326 0.831 20 70 BCIDRO COC(=O)[C@H](C)N1CCC[C@@H](C[NH3+])C1 ZINC000217561937 357908993 /nfs/dbraw/zinc/90/89/93/357908993.db2.gz WXQJOVLFQPEXRP-IUCAKERBSA-N 1 0 200.282 0.219 20 70 BCIDRO CCC[C@@H](O)C[NH2+]C[C@H](O)COCC ZINC000217877493 357911437 /nfs/dbraw/zinc/91/14/37/357911437.db2.gz RIUKEFHHNCSFGL-ZJUUUORDSA-N 1 0 205.298 0.134 20 70 BCIDRO CCCS(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000218059988 134251559 /nfs/dbraw/zinc/25/15/59/134251559.db2.gz FZWXPSWBHXFUIQ-MNOVXSKESA-N 1 0 246.376 0.943 20 70 BCIDRO COC[C@@H](C)[N@H+](C)C[C@@H](C)C(=O)OC ZINC000218666764 134258437 /nfs/dbraw/zinc/25/84/37/134258437.db2.gz RKZVXNKXWIITKP-RKDXNWHRSA-N 1 0 203.282 0.762 20 70 BCIDRO [NH3+]C1(C(=O)NCC[C@@H](O)c2ccccc2)CC1 ZINC000160846887 181325381 /nfs/dbraw/zinc/32/53/81/181325381.db2.gz KGWNNYPJVMILEN-LLVKDONJSA-N 1 0 234.299 0.718 20 70 BCIDRO Cc1nc(C)c(C(=O)NCCCC[NH3+])o1 ZINC000159402563 361233937 /nfs/dbraw/zinc/23/39/37/361233937.db2.gz MYDJHXUXJGWEEC-UHFFFAOYSA-N 1 0 211.265 0.760 20 70 BCIDRO C[C@H](O)[C@@H]1CC[N@H+](CCCCCO)C1 ZINC000159425725 361234880 /nfs/dbraw/zinc/23/48/80/361234880.db2.gz IIQJUYHECVVMDI-WDEREUQCSA-N 1 0 201.310 0.852 20 70 BCIDRO C[C@@H](O)[C@@H]1CC[N@H+](CCCCCO)C1 ZINC000159425870 361235252 /nfs/dbraw/zinc/23/52/52/361235252.db2.gz IIQJUYHECVVMDI-GHMZBOCLSA-N 1 0 201.310 0.852 20 70 BCIDRO Cc1nn(C)cc1C[NH2+][C@H](C)CC(N)=O ZINC000160798370 361327830 /nfs/dbraw/zinc/32/78/30/361327830.db2.gz ZODWJQJNOWUNQE-SSDOTTSWSA-N 1 0 210.281 0.082 20 70 BCIDRO CCCNS(=O)(=O)N[C@H](C[NH3+])CC(C)C ZINC000160866031 361330810 /nfs/dbraw/zinc/33/08/10/361330810.db2.gz ACDBNPKPJLQWHO-VIFPVBQESA-N 1 0 237.369 0.194 20 70 BCIDRO CCN(C)C(=O)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000160994138 361335415 /nfs/dbraw/zinc/33/54/15/361335415.db2.gz MLHXTVDNRDOXEC-LLVKDONJSA-N 1 0 214.309 0.312 20 70 BCIDRO [NH3+]CCC(=O)NCCc1ccc(Cl)nc1 ZINC000160526269 181367891 /nfs/dbraw/zinc/36/78/91/181367891.db2.gz IOFUZTCQMGSAFO-UHFFFAOYSA-N 1 0 227.695 0.743 20 70 BCIDRO [NH3+]CCCNC(=O)CSc1ccc(O)cc1 ZINC000160042814 181381050 /nfs/dbraw/zinc/38/10/50/181381050.db2.gz IAVFGKXHHODNEJ-UHFFFAOYSA-N 1 0 240.328 0.949 20 70 BCIDRO [NH3+]C[C@H]1CCCN1C(=O)CC[C@@H]1CCOC1 ZINC000160294141 181459332 /nfs/dbraw/zinc/45/93/32/181459332.db2.gz ASLYLLDQPBYXPN-GHMZBOCLSA-N 1 0 226.320 0.753 20 70 BCIDRO [NH3+][C@@H](CNC(=O)c1cnns1)C1CC1 ZINC000160128294 181547901 /nfs/dbraw/zinc/54/79/01/181547901.db2.gz DROIFLWOPIJLCV-LURJTMIESA-N 1 0 212.278 0.005 20 70 BCIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccon2)C1 ZINC000161163946 181648184 /nfs/dbraw/zinc/64/81/84/181648184.db2.gz MJQPXDXWLCPSDX-YUMQZZPRSA-N 1 0 209.249 0.674 20 70 BCIDRO C[NH+](C)CCCNC(=O)NCC1CCOCC1 ZINC000218709321 372148319 /nfs/dbraw/zinc/14/83/19/372148319.db2.gz XPQUTRRIWSJANK-UHFFFAOYSA-N 1 0 243.351 0.664 20 70 BCIDRO O=C(NCC1=CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000160512763 182135938 /nfs/dbraw/zinc/13/59/38/182135938.db2.gz VNYYJRTVOXYDFI-SNVBAGLBSA-N 1 0 210.277 0.059 20 70 BCIDRO CCC[N@@H+]1CCCN(C(=O)COCC)CC1 ZINC000160360592 169192492 /nfs/dbraw/zinc/19/24/92/169192492.db2.gz PHORRCIJWFCMHS-UHFFFAOYSA-N 1 0 228.336 0.967 20 70 BCIDRO CCCSCC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000160595420 169336778 /nfs/dbraw/zinc/33/67/78/169336778.db2.gz AKCLEXHRNVMZPL-VIFPVBQESA-N 1 0 216.350 0.950 20 70 BCIDRO CCC[C@@H](C(=O)NCc1ccnn1C)[NH+](C)C ZINC000161492847 169345514 /nfs/dbraw/zinc/34/55/14/169345514.db2.gz WCWJEXQOJUJRGK-NSHDSACASA-N 1 0 238.335 0.767 20 70 BCIDRO CCC[C@@H](C(=O)Nc1nc[nH]n1)[NH+](C)C ZINC000159815664 169346011 /nfs/dbraw/zinc/34/60/11/169346011.db2.gz ZGLPFQZQBVWQOL-ZETCQYMHSA-N 1 0 211.269 0.474 20 70 BCIDRO O=C(/C=C/C1CCOCC1)N1CC[NH2+]CC1 ZINC000159452575 384198759 /nfs/dbraw/zinc/19/87/59/384198759.db2.gz UAGRAMNIXBIWBI-OWOJBTEDSA-N 1 0 224.304 0.401 20 70 BCIDRO CCCC[C@H](COC)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000159654084 384347455 /nfs/dbraw/zinc/34/74/55/384347455.db2.gz MBWZQFJILJISNT-MNOVXSKESA-N 1 0 244.335 0.296 20 70 BCIDRO CCC[C@H](C(=O)NCc1nncn1C)[NH+](C)C ZINC000159751723 384355830 /nfs/dbraw/zinc/35/58/30/384355830.db2.gz DHIYOFQLHQWOFC-SECBINFHSA-N 1 0 239.323 0.162 20 70 BCIDRO C[NH2+][C@@H]1CCN(C(=O)Cc2ccc(C)nc2)C1 ZINC000160710962 384430429 /nfs/dbraw/zinc/43/04/29/384430429.db2.gz HOUJOQFENPGKDF-GFCCVEGCSA-N 1 0 233.315 0.753 20 70 BCIDRO C[NH2+][C@H]1CCN(C(=O)/C=C/c2ccnn2C)C1 ZINC000160750925 384434093 /nfs/dbraw/zinc/43/40/93/384434093.db2.gz NLDITMVAUJUFIK-FSIBCCDJSA-N 1 0 234.303 0.254 20 70 BCIDRO CO[C@H](C)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000160937442 384861558 /nfs/dbraw/zinc/86/15/58/384861558.db2.gz OJQWBXYQKRYIEX-OPRDCNLKSA-N 1 0 214.309 0.607 20 70 BCIDRO COCCC1(C(=O)NCC[NH+](C)C)CC1 ZINC000161386015 384990636 /nfs/dbraw/zinc/99/06/36/384990636.db2.gz UDRJLHILEGRSAO-UHFFFAOYSA-N 1 0 214.309 0.481 20 70 BCIDRO CCO[C@H]1C[C@H](NC(=O)C[NH2+]C)C12CCC2 ZINC000160992327 385297551 /nfs/dbraw/zinc/29/75/51/385297551.db2.gz QIAMTADRUDLLPN-UWVGGRQHSA-N 1 0 226.320 0.670 20 70 BCIDRO C[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000161105043 385449009 /nfs/dbraw/zinc/44/90/09/385449009.db2.gz IBQVBHJCRMRAIH-KDXUFGMBSA-N 1 0 212.293 0.263 20 70 BCIDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CCOC1 ZINC000160668769 385700517 /nfs/dbraw/zinc/70/05/17/385700517.db2.gz CSGMGVPDMLKQAH-GHMZBOCLSA-N 1 0 241.335 0.511 20 70 BCIDRO O=C([C@H]1CC[NH2+]C1)N1CCO[C@H]2CCC[C@@H]21 ZINC000218265065 386248232 /nfs/dbraw/zinc/24/82/32/386248232.db2.gz SLQGJQDJMCQXCZ-DCAQKATOSA-N 1 0 224.304 0.376 20 70 BCIDRO CCNC(=O)N1CC[NH+](C[C@](C)(O)CC)CC1 ZINC000160435957 386981926 /nfs/dbraw/zinc/98/19/26/386981926.db2.gz GRSYZQNIJUUUEJ-GFCCVEGCSA-N 1 0 243.351 0.495 20 70 BCIDRO Cc1cc(C(=O)NC2CC[NH+](C)CC2)ncn1 ZINC000161290623 387180261 /nfs/dbraw/zinc/18/02/61/387180261.db2.gz FNOBCCUJMIXDHL-UHFFFAOYSA-N 1 0 234.303 0.609 20 70 BCIDRO CC(C)[N@H+](C)CCNC(=O)N[C@H]1CCOC1 ZINC000159401356 388012640 /nfs/dbraw/zinc/01/26/40/388012640.db2.gz JRKCOCFQZQNKQU-JTQLQIEISA-N 1 0 229.324 0.415 20 70 BCIDRO COCCCC[N@H+](C)CC(C)(CO)CO ZINC000159519215 388019783 /nfs/dbraw/zinc/01/97/83/388019783.db2.gz WPPSVERIPRYNHP-UHFFFAOYSA-N 1 0 219.325 0.336 20 70 BCIDRO CCC[C@@H](O)CNC(=O)[C@H]([NH3+])CCSC ZINC000159763209 388029944 /nfs/dbraw/zinc/02/99/44/388029944.db2.gz PYXGSBODHYEKGM-RKDXNWHRSA-N 1 0 234.365 0.344 20 70 BCIDRO [NH3+]C[C@H]1CCCN1C(=O)CC[C@H]1CCOC1 ZINC000160294392 388056653 /nfs/dbraw/zinc/05/66/53/388056653.db2.gz ASLYLLDQPBYXPN-WDEREUQCSA-N 1 0 226.320 0.753 20 70 BCIDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccn[nH]1 ZINC000160532568 388072894 /nfs/dbraw/zinc/07/28/94/388072894.db2.gz KSMLWMZJSNGVTR-JGVFFNPUSA-N 1 0 208.265 0.280 20 70 BCIDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccn[nH]1 ZINC000160532813 388073710 /nfs/dbraw/zinc/07/37/10/388073710.db2.gz KSMLWMZJSNGVTR-YUMQZZPRSA-N 1 0 208.265 0.280 20 70 BCIDRO CC(C)[C@@H](O)CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000160897050 388099404 /nfs/dbraw/zinc/09/94/04/388099404.db2.gz ZWVDRTAMSREIJQ-MNOVXSKESA-N 1 0 228.336 0.652 20 70 BCIDRO Cc1c(C[NH2+]C2(CO)CCC2)cnn1C ZINC000160169510 388049320 /nfs/dbraw/zinc/04/93/20/388049320.db2.gz WZCHHRWMGCNSEF-UHFFFAOYSA-N 1 0 209.293 0.733 20 70 BCIDRO Cn1nccc1/C=C/C(=O)NCC(C)(C)[NH3+] ZINC000160088599 397767681 /nfs/dbraw/zinc/76/76/81/397767681.db2.gz YMQWAJRLABIBKD-SNAWJCMRSA-N 1 0 222.292 0.287 20 70 BCIDRO C[C@H](CO)[N@H+](C)Cc1ccc(CO)cc1 ZINC000159458487 397947836 /nfs/dbraw/zinc/94/78/36/397947836.db2.gz WUTPBJVUHIQHGT-SNVBAGLBSA-N 1 0 209.289 0.992 20 70 BCIDRO CC[C@@H](O)CCNC(=O)NCC[NH+](CC)CC ZINC000160638428 398048847 /nfs/dbraw/zinc/04/88/47/398048847.db2.gz VJVISRSZXMOWJN-LLVKDONJSA-N 1 0 245.367 0.788 20 70 BCIDRO COCCCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000159550680 174244689 /nfs/dbraw/zinc/24/46/89/174244689.db2.gz HMFKSNKTKSDRCI-NSHDSACASA-N 1 0 214.309 0.671 20 70 BCIDRO CC[C@@](C)(O)C[NH+]1CCC(CC(=O)NC)CC1 ZINC000161361038 171177354 /nfs/dbraw/zinc/17/73/54/171177354.db2.gz LKAARDLSXXIPGV-CYBMUJFWSA-N 1 0 242.363 0.996 20 70 BCIDRO CC[C@@H](O)CC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000218776306 412121877 /nfs/dbraw/zinc/12/18/77/412121877.db2.gz GOLDVGCKTBHZDW-NXEZZACHSA-N 1 0 214.309 0.406 20 70 BCIDRO CNC(=O)c1cccc(CCNC(=O)[C@@H](C)[NH3+])c1 ZINC000161417536 173311603 /nfs/dbraw/zinc/31/16/03/173311603.db2.gz IXDJWSIPTBSROW-SECBINFHSA-N 1 0 249.314 0.052 20 70 BCIDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1cc(C)n[nH]1 ZINC000161388079 173369377 /nfs/dbraw/zinc/36/93/77/173369377.db2.gz SMRVGAPAXZWHRJ-NSHDSACASA-N 1 0 236.319 0.471 20 70 BCIDRO C[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)OC)C1 ZINC000160916037 173379230 /nfs/dbraw/zinc/37/92/30/173379230.db2.gz JJNMMFRDZCPNMA-VHSXEESVSA-N 1 0 214.309 0.479 20 70 BCIDRO C[NH2+]C[C@H]1CCCN1C(=O)Cc1cc[nH]n1 ZINC000161233556 173379882 /nfs/dbraw/zinc/37/98/82/173379882.db2.gz IFOQSNZRVGMOTC-SNVBAGLBSA-N 1 0 222.292 0.163 20 70 BCIDRO CCOC(=O)C[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC000159557904 323036693 /nfs/dbraw/zinc/03/66/93/323036693.db2.gz LZMVSKCDAUWJJH-ZJUUUORDSA-N 1 0 244.335 0.785 20 70 BCIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccnn1C ZINC000159644085 323041680 /nfs/dbraw/zinc/04/16/80/323041680.db2.gz PKMQMUVHPQIHJO-ZJUUUORDSA-N 1 0 236.319 0.506 20 70 BCIDRO CC[C@H](C)[C@H](O)CNC(=O)[C@H]([NH3+])CCSC ZINC000159819901 323049323 /nfs/dbraw/zinc/04/93/23/323049323.db2.gz ZJCKRIDUGOEVPG-IVZWLZJFSA-N 1 0 248.392 0.590 20 70 BCIDRO CC[C@H](C(=O)Nc1c[nH]c(=O)c(C)c1)[NH+](C)C ZINC000159837867 323050357 /nfs/dbraw/zinc/05/03/57/323050357.db2.gz BNBCOHXQPTYUIS-SNVBAGLBSA-N 1 0 237.303 0.962 20 70 BCIDRO CC[C@@H](C(=O)N[C@H](CO)CC(C)C)[NH+](C)C ZINC000160886721 323137648 /nfs/dbraw/zinc/13/76/48/323137648.db2.gz IPFNOAPAWPXEJJ-QWRGUYRKSA-N 1 0 230.352 0.850 20 70 BCIDRO Cc1ocnc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161067610 487474745 /nfs/dbraw/zinc/47/47/45/487474745.db2.gz XVQLCQQGKNOHBG-BDAKNGLRSA-N 1 0 223.276 0.983 20 70 BCIDRO Cc1nccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000161085468 487475971 /nfs/dbraw/zinc/47/59/71/487475971.db2.gz QPLZWCQUMLWXKP-ZJUUUORDSA-N 1 0 234.303 0.785 20 70 BCIDRO C[C@@H](C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[NH+](C)C ZINC000161193763 487484404 /nfs/dbraw/zinc/48/44/04/487484404.db2.gz RDTJTLJIZMDPGV-IVZWLZJFSA-N 1 0 213.325 0.323 20 70 BCIDRO Cn1nccc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161501763 487501108 /nfs/dbraw/zinc/50/11/08/487501108.db2.gz QNANSLMYNOAMSL-BDAKNGLRSA-N 1 0 222.292 0.420 20 70 BCIDRO CN1CC[C@H]([N@H+](C)CCCCCO)C1=O ZINC000217935302 536333772 /nfs/dbraw/zinc/33/37/72/536333772.db2.gz SDAPTKBDLPNFNQ-JTQLQIEISA-N 1 0 214.309 0.312 20 70 BCIDRO CCC[C@@H](O)C[NH2+][C@H]1CCCNC(=O)C1 ZINC000217862516 592150263 /nfs/dbraw/zinc/15/02/63/592150263.db2.gz VEOYLGXYXLVVCA-VHSXEESVSA-N 1 0 214.309 0.406 20 70 BCIDRO CC(C)C[C@H](O)C[NH2+]Cc1ccnn1C ZINC000218250605 592153622 /nfs/dbraw/zinc/15/36/22/592153622.db2.gz MYZIWHWZDKHPKN-NSHDSACASA-N 1 0 211.309 0.917 20 70 BCIDRO CC[C@H]([NH2+]CC(=O)NC(C)C)c1cnn(C)c1 ZINC000160910608 538913331 /nfs/dbraw/zinc/91/33/31/538913331.db2.gz BVUWVCLZDWFJII-NSHDSACASA-N 1 0 238.335 0.985 20 70 BCIDRO C[C@@H](CO)C[NH+]1CCC(OCCO)CC1 ZINC000160975080 538913555 /nfs/dbraw/zinc/91/35/55/538913555.db2.gz APPJPTIWGHSDAC-SNVBAGLBSA-N 1 0 217.309 0.088 20 70 BCIDRO Cn1nccc1CNCC[NH2+]C(C)(C)C ZINC000161443008 398282278 /nfs/dbraw/zinc/28/22/78/398282278.db2.gz VENGOGIIMLUVMR-UHFFFAOYSA-N 1 0 210.325 0.898 20 70 BCIDRO CC[C@@H](O)C[NH2+][C@H](C)CS(=O)(=O)CC ZINC000217327684 342919674 /nfs/dbraw/zinc/91/96/74/342919674.db2.gz YSZZCSLAEUDVKX-RKDXNWHRSA-N 1 0 223.338 0.170 20 70 BCIDRO C[C@@H](CC(=O)N(C)C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160580482 323072852 /nfs/dbraw/zinc/07/28/52/323072852.db2.gz JBFDGPMBUZFLNS-TUAOUCFPSA-N 1 0 242.363 0.994 20 70 BCIDRO C[NH+](C)CC(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000159392351 345429688 /nfs/dbraw/zinc/42/96/88/345429688.db2.gz AMJMYGJKMJBYRP-WDEREUQCSA-N 1 0 226.320 0.622 20 70 BCIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000159421626 345432549 /nfs/dbraw/zinc/43/25/49/345432549.db2.gz YDSGGBSRAZRTFD-NEPJUHHUSA-N 1 0 242.363 0.946 20 70 BCIDRO C[C@@H](O)C[N@H+](C)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000159421528 345432790 /nfs/dbraw/zinc/43/27/90/345432790.db2.gz YDSGGBSRAZRTFD-VXGBXAGGSA-N 1 0 242.363 0.946 20 70 BCIDRO CCCNC(=O)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000159481655 345436874 /nfs/dbraw/zinc/43/68/74/345436874.db2.gz XKBUMIFHKHSRLA-LLVKDONJSA-N 1 0 243.351 0.215 20 70 BCIDRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)N[C@@H]1CCOC1 ZINC000159459679 345437106 /nfs/dbraw/zinc/43/71/06/345437106.db2.gz BRBQXPOBYCSQMF-GHMZBOCLSA-N 1 0 241.335 0.368 20 70 BCIDRO O=C([C@@H]1CCCOC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160001060 345778296 /nfs/dbraw/zinc/77/82/96/345778296.db2.gz BTUFQDNFPPJHNO-UTUOFQBUSA-N 1 0 238.331 0.766 20 70 BCIDRO [NH3+]CCCNC(=O)[C@H]1C[C@@H]1c1cccnc1 ZINC000160102624 345798007 /nfs/dbraw/zinc/79/80/07/345798007.db2.gz GKKODPWLXOAINO-MNOVXSKESA-N 1 0 219.288 0.650 20 70 BCIDRO C[C@](CO)([NH2+]CCCO)c1ccccc1 ZINC000161222123 346116278 /nfs/dbraw/zinc/11/62/78/346116278.db2.gz LWSSZDRQPXKLEM-GFCCVEGCSA-N 1 0 209.289 0.866 20 70 BCIDRO Nc1ccccc1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000161268356 346166754 /nfs/dbraw/zinc/16/67/54/346166754.db2.gz YLWCFPWOGYOZAS-MRVPVSSYSA-N 1 0 205.261 0.361 20 70 BCIDRO CCCC[C@H](C[NH3+])NS(=O)(=O)NCCC ZINC000160930910 535036023 /nfs/dbraw/zinc/03/60/23/535036023.db2.gz BFIITCDJECURMC-SECBINFHSA-N 1 0 237.369 0.338 20 70 BCIDRO CC[C@H](C(=O)N[C@H]1CCC[C@@H]1O)[NH+](C)C ZINC000161120694 362795004 /nfs/dbraw/zinc/79/50/04/362795004.db2.gz IFKWQXAPGUWZKC-AEJSXWLSSA-N 1 0 214.309 0.356 20 70 BCIDRO OCC[NH2+]Cc1ccc2nccnc2c1 ZINC000161141148 362796063 /nfs/dbraw/zinc/79/60/63/362796063.db2.gz BCLYPQWIJPVOLB-UHFFFAOYSA-N 1 0 203.245 0.712 20 70 BCIDRO Cc1cc(C(=O)NCCC[NH+](C)C)ncn1 ZINC000161165689 323149684 /nfs/dbraw/zinc/14/96/84/323149684.db2.gz SLUCKYXCURDNSZ-UHFFFAOYSA-N 1 0 222.292 0.467 20 70 BCIDRO CCOC(=O)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC000160872536 349334056 /nfs/dbraw/zinc/33/40/56/349334056.db2.gz QYPYFJRVTWNLIO-SNVBAGLBSA-N 1 0 244.335 0.785 20 70 BCIDRO CSCC[C@@H]([NH3+])C(=O)NCC[C@@H](O)C(C)C ZINC000160899212 349336307 /nfs/dbraw/zinc/33/63/07/349336307.db2.gz IAGQKMSOXULHGX-NXEZZACHSA-N 1 0 248.392 0.590 20 70 BCIDRO CSCC[C@H]([NH3+])C(=O)NCC[C@@H](O)C(C)C ZINC000160899470 349336361 /nfs/dbraw/zinc/33/63/61/349336361.db2.gz IAGQKMSOXULHGX-VHSXEESVSA-N 1 0 248.392 0.590 20 70 BCIDRO COC(CN(C)[C@@H]1CCCCNC1=O)OC ZINC000160906705 349337752 /nfs/dbraw/zinc/33/77/52/349337752.db2.gz PIQLJYJKNUEUBM-SECBINFHSA-N 1 0 230.308 0.206 20 70 BCIDRO CCN(C)C(=O)C[N@@H+]1CCC[C@](C)(O)C1 ZINC000160994276 349354445 /nfs/dbraw/zinc/35/44/45/349354445.db2.gz MLHXTVDNRDOXEC-NSHDSACASA-N 1 0 214.309 0.312 20 70 BCIDRO C[C@H]([NH3+])C(=O)NCc1ccccc1OCCO ZINC000161249044 349414656 /nfs/dbraw/zinc/41/46/56/349414656.db2.gz FQEDIHCPYSBOHJ-VIFPVBQESA-N 1 0 238.287 0.021 20 70 BCIDRO Cc1nn(C)cc1C[NH2+][C@H](C)[C@H](C)CO ZINC000160153771 180375480 /nfs/dbraw/zinc/37/54/80/180375480.db2.gz PQROCBTWNQNALV-RKDXNWHRSA-N 1 0 211.309 0.835 20 70 BCIDRO Cc1c(C[NH2+]CC2(O)CCC2)cnn1C ZINC000160144213 350676952 /nfs/dbraw/zinc/67/69/52/350676952.db2.gz MECGGACAKZMMRV-UHFFFAOYSA-N 1 0 209.293 0.733 20 70 BCIDRO CCOC(=O)c1ccc(CNC(=O)[C@H](C)[NH3+])o1 ZINC000159574415 350902964 /nfs/dbraw/zinc/90/29/64/350902964.db2.gz WGUZCDSHJBHXMM-ZETCQYMHSA-N 1 0 240.259 0.420 20 70 BCIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC1=CCCOC1 ZINC000159663476 350967787 /nfs/dbraw/zinc/96/77/87/350967787.db2.gz FLAGAHPYFHZWJH-ZYHUDNBSSA-N 1 0 238.331 0.919 20 70 BCIDRO CC[N@@H+]1CCN(C(=S)NC)C[C@H]1C ZINC000159746591 350992970 /nfs/dbraw/zinc/99/29/70/350992970.db2.gz PGCJMSIMADDEBU-MRVPVSSYSA-N 1 0 201.339 0.517 20 70 BCIDRO CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)C[NH3+] ZINC000161175561 187533345 /nfs/dbraw/zinc/53/33/45/187533345.db2.gz SAPJRVIHBFCREX-ONGXEEELSA-N 1 0 228.336 0.903 20 70 BCIDRO Cn1cnc(CNC(=[NH2+])NC2CCCC2)n1 ZINC000218721808 180767794 /nfs/dbraw/zinc/76/77/94/180767794.db2.gz JGMXLTOXZCWHAX-UHFFFAOYSA-N 1 0 222.296 0.372 20 70 BCIDRO C[NH2+][C@@H]1CCN(C(=O)c2noc3c2CCCC3)C1 ZINC000160600870 188159073 /nfs/dbraw/zinc/15/90/73/188159073.db2.gz CKVWXIJEAKZGRC-SECBINFHSA-N 1 0 249.314 0.987 20 70 BCIDRO C[C@H](C(N)=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161340396 538111606 /nfs/dbraw/zinc/11/16/06/538111606.db2.gz ZCQVNOABGRJFSB-SNVBAGLBSA-N 1 0 234.303 0.077 20 70 BCIDRO CC(C)CC(=O)NCCC(=O)NCCC[NH3+] ZINC000160013189 188219911 /nfs/dbraw/zinc/21/99/11/188219911.db2.gz MAZCGPFYWOWUAO-UHFFFAOYSA-N 1 0 229.324 0.004 20 70 BCIDRO CC[N@@H+]1CCN(C(=O)N2CCOCC2)C[C@H]1C ZINC000159593176 538878251 /nfs/dbraw/zinc/87/82/51/538878251.db2.gz JNQIULJUHVLDIX-LLVKDONJSA-N 1 0 241.335 0.465 20 70 BCIDRO CC[C@@H](CSC)[NH2+]C[C@@H](O)COC ZINC000217330588 357840219 /nfs/dbraw/zinc/84/02/19/357840219.db2.gz UCMJCQSHKGTEDY-DTWKUNHWSA-N 1 0 207.339 0.725 20 70 BCIDRO CC[C@H](O)C[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000159377454 361232213 /nfs/dbraw/zinc/23/22/13/361232213.db2.gz VUBKFYZHHVQRSV-MXWKQRLJSA-N 1 0 201.310 0.993 20 70 BCIDRO CCOCC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000159965788 361296400 /nfs/dbraw/zinc/29/64/00/361296400.db2.gz GPHOGSTZCUDRSN-NSHDSACASA-N 1 0 214.309 0.529 20 70 BCIDRO CCCS(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000159995386 361297681 /nfs/dbraw/zinc/29/76/81/361297681.db2.gz FUWVUGIBZNHYCG-JTQLQIEISA-N 1 0 234.365 0.706 20 70 BCIDRO C[C@@H](O)CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000159564436 361255549 /nfs/dbraw/zinc/25/55/49/361255549.db2.gz OGUROWWFYZHMRN-MWLCHTKSSA-N 1 0 214.309 0.406 20 70 BCIDRO CCOC(=O)[C@H](C)CNC(=O)[C@@H]([NH3+])CC ZINC000160801469 361327871 /nfs/dbraw/zinc/32/78/71/361327871.db2.gz FSHGTDDOEHWRAU-SFYZADRCSA-N 1 0 216.281 0.039 20 70 BCIDRO COC(=O)[C@H]1CCC[N@@H+]1C[C@H](C)CO ZINC000160944518 361334252 /nfs/dbraw/zinc/33/42/52/361334252.db2.gz YNCZDGOVBCHUPZ-DTWKUNHWSA-N 1 0 201.266 0.252 20 70 BCIDRO [NH3+]CCCNC(=O)c1ccc(N2CCCC2)nn1 ZINC000160147219 181382182 /nfs/dbraw/zinc/38/21/82/181382182.db2.gz FCOLIOQHAXNWAQ-UHFFFAOYSA-N 1 0 249.318 0.155 20 70 BCIDRO O=C(NCC1=CC[NH2+]CC1)c1ccoc1 ZINC000160514307 182135361 /nfs/dbraw/zinc/13/53/61/182135361.db2.gz WYKUWEWEJHVGHL-UHFFFAOYSA-N 1 0 206.245 0.929 20 70 BCIDRO O=C(NCC1=CC[NH2+]CC1)c1cscn1 ZINC000160513619 182135760 /nfs/dbraw/zinc/13/57/60/182135760.db2.gz HRIHNSOKSXKYGQ-UHFFFAOYSA-N 1 0 223.301 0.793 20 70 BCIDRO CCCN(C(=O)[C@@H](C)OC)[C@H]1CC[NH2+]C1 ZINC000160930586 169043136 /nfs/dbraw/zinc/04/31/36/169043136.db2.gz IMTNBLYDXGFJQZ-ZJUUUORDSA-N 1 0 214.309 0.622 20 70 BCIDRO CCCN(C(=O)[C@H](C)OC)[C@H]1CC[NH2+]C1 ZINC000160930850 169044752 /nfs/dbraw/zinc/04/47/52/169044752.db2.gz IMTNBLYDXGFJQZ-UWVGGRQHSA-N 1 0 214.309 0.622 20 70 BCIDRO CCCOCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000160837359 169306976 /nfs/dbraw/zinc/30/69/76/169306976.db2.gz DCDQLNDTAHFWRB-NXEZZACHSA-N 1 0 214.309 0.799 20 70 BCIDRO CC[C@@H](CSC)NC(=O)C(C)(C)[NH3+] ZINC000217332879 384157506 /nfs/dbraw/zinc/15/75/06/384157506.db2.gz QUEYORRTWZMBPS-ZETCQYMHSA-N 1 0 204.339 0.982 20 70 BCIDRO CC(C)NC(=O)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000159658683 384348530 /nfs/dbraw/zinc/34/85/30/384348530.db2.gz IDRKHYUJOBQLDG-NSHDSACASA-N 1 0 243.351 0.213 20 70 BCIDRO C[NH+](C)CCNC(=O)c1ccc2nc[nH]c2n1 ZINC000159860555 384365312 /nfs/dbraw/zinc/36/53/12/384365312.db2.gz XIROHEYOPHPOGS-UHFFFAOYSA-N 1 0 233.275 0.249 20 70 BCIDRO C[NH2+][C@H]1CCN(C(=O)c2noc3c2CCCC3)C1 ZINC000160601012 384423252 /nfs/dbraw/zinc/42/32/52/384423252.db2.gz CKVWXIJEAKZGRC-VIFPVBQESA-N 1 0 249.314 0.987 20 70 BCIDRO C[C@@H]([NH3+])C(=O)NCCC(=O)Nc1ccccc1 ZINC000160022635 384379074 /nfs/dbraw/zinc/37/90/74/384379074.db2.gz QIJUOAIEHVTPJH-SECBINFHSA-N 1 0 235.287 0.479 20 70 BCIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](C)Oc2cccnc2)C1 ZINC000160723205 384430142 /nfs/dbraw/zinc/43/01/42/384430142.db2.gz NSCFIACDWXQCNL-WDEREUQCSA-N 1 0 249.314 0.669 20 70 BCIDRO CCC[C@H](C(=O)NCc1ccnn1C)[NH+](C)C ZINC000161492957 384494982 /nfs/dbraw/zinc/49/49/82/384494982.db2.gz WCWJEXQOJUJRGK-LLVKDONJSA-N 1 0 238.335 0.767 20 70 BCIDRO CCO[C@H](C)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000161343157 384976484 /nfs/dbraw/zinc/97/64/84/384976484.db2.gz NHSGDOOBGKWKLF-NXEZZACHSA-N 1 0 214.309 0.622 20 70 BCIDRO CSCC[C@@H]([NH3+])C(=O)NCCC1CC1 ZINC000160888443 385183688 /nfs/dbraw/zinc/18/36/88/385183688.db2.gz FGPYDHKYFNCGDI-SECBINFHSA-N 1 0 216.350 0.983 20 70 BCIDRO CCO[C@@H]1C[C@@H](NC(=O)C[NH2+]C)C12CCC2 ZINC000160992452 385297857 /nfs/dbraw/zinc/29/78/57/385297857.db2.gz QIAMTADRUDLLPN-NXEZZACHSA-N 1 0 226.320 0.670 20 70 BCIDRO CC[C@](C)(O)C[NH+]1CCC(CC(=O)NC)CC1 ZINC000161360893 385951300 /nfs/dbraw/zinc/95/13/00/385951300.db2.gz LKAARDLSXXIPGV-ZDUSSCGKSA-N 1 0 242.363 0.996 20 70 BCIDRO CC(C)COC[C@H](O)C[N@@H+]1CCCC[C@@H]1CO ZINC000159802183 386011543 /nfs/dbraw/zinc/01/15/43/386011543.db2.gz WPZVWTCTIPLUJC-CHWSQXEVSA-N 1 0 245.363 0.867 20 70 BCIDRO CC[C@H]([NH3+])C(=O)NC[C@H](O)c1ccsc1 ZINC000161502364 386326559 /nfs/dbraw/zinc/32/65/59/386326559.db2.gz HUPYCTZZNJODDT-IUCAKERBSA-N 1 0 228.317 0.635 20 70 BCIDRO COC(=O)[C@](C)(O)C[N@H+](C)CCSC ZINC000160111366 386461298 /nfs/dbraw/zinc/46/12/98/386461298.db2.gz FUKLHULGJHIMHC-SECBINFHSA-N 1 0 221.322 0.205 20 70 BCIDRO CCNC(=O)N1CC[NH+](C[C@@](C)(O)CC)CC1 ZINC000160435853 386980600 /nfs/dbraw/zinc/98/06/00/386980600.db2.gz GRSYZQNIJUUUEJ-LBPRGKRZSA-N 1 0 243.351 0.495 20 70 BCIDRO CC[C@](C)(O)C[NH+]1CCC(C(=O)NC)CC1 ZINC000160440318 386987127 /nfs/dbraw/zinc/98/71/27/386987127.db2.gz YWUJBLMOFRFHBS-LBPRGKRZSA-N 1 0 228.336 0.605 20 70 BCIDRO CC(C)(C)CC(=O)NCC(=O)NCCC[NH3+] ZINC000160092696 387040363 /nfs/dbraw/zinc/04/03/63/387040363.db2.gz KAPNXSRJEBMPDI-UHFFFAOYSA-N 1 0 229.324 0.004 20 70 BCIDRO CC[C@](C)(O)C[N@H+](C)CC(=O)NC(C)(C)C ZINC000160487181 387098269 /nfs/dbraw/zinc/09/82/69/387098269.db2.gz QHCSFKOZILRHFG-LBPRGKRZSA-N 1 0 230.352 0.994 20 70 BCIDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CCCCO ZINC000159384160 388011010 /nfs/dbraw/zinc/01/10/10/388011010.db2.gz SEMHJSUWQHWTMA-MNOVXSKESA-N 1 0 201.310 0.994 20 70 BCIDRO CC(C)COCCC(=O)NCCC[NH3+] ZINC000160032653 388043536 /nfs/dbraw/zinc/04/35/36/388043536.db2.gz NRHWSXHNICAXMG-UHFFFAOYSA-N 1 0 202.298 0.514 20 70 BCIDRO COC[C@@H](C)[NH2+][C@@H](CCO)CSC ZINC000160413866 388064013 /nfs/dbraw/zinc/06/40/13/388064013.db2.gz RSLWZFNYDDZSPZ-BDAKNGLRSA-N 1 0 207.339 0.725 20 70 BCIDRO CCCNC(=O)[C@@H](C)[N@H+](CC)CCCO ZINC000160726036 388085943 /nfs/dbraw/zinc/08/59/43/388085943.db2.gz LQPKMXBQUNVZBK-SNVBAGLBSA-N 1 0 216.325 0.605 20 70 BCIDRO CC(C)[C@H](O)CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000160896714 388098815 /nfs/dbraw/zinc/09/88/15/388098815.db2.gz ZWVDRTAMSREIJQ-WDEREUQCSA-N 1 0 228.336 0.652 20 70 BCIDRO CC[C@@](C)(O)C[N@H+](C)CCN1CCOCC1 ZINC000160892400 388099285 /nfs/dbraw/zinc/09/92/85/388099285.db2.gz UOQHWMVOPHJRNT-GFCCVEGCSA-N 1 0 230.352 0.411 20 70 BCIDRO CO[C@H](C)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000160925067 388102484 /nfs/dbraw/zinc/10/24/84/388102484.db2.gz CKSQEQLYYHSDHX-BBBLOLIVSA-N 1 0 214.309 0.526 20 70 BCIDRO CO[C@@H](C)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000160944361 388105023 /nfs/dbraw/zinc/10/50/23/388105023.db2.gz XIZDQYKMZMMYSW-UWVGGRQHSA-N 1 0 216.325 0.853 20 70 BCIDRO C[C@]1(O)CCC[N@H+](CCn2cccn2)C1 ZINC000160999257 388108867 /nfs/dbraw/zinc/10/88/67/388108867.db2.gz CSADOLVBVQPPCA-NSHDSACASA-N 1 0 209.293 0.730 20 70 BCIDRO Cc1nn(C)cc1C[NH2+]C[C@@H](O)C(C)C ZINC000160147163 388048588 /nfs/dbraw/zinc/04/85/88/388048588.db2.gz RVWVPLQEKBDLNI-LLVKDONJSA-N 1 0 211.309 0.835 20 70 BCIDRO OC[C@@H](O)C[NH2+]C/C=C\c1ccccc1 ZINC000218152855 134251582 /nfs/dbraw/zinc/25/15/82/134251582.db2.gz MTPZYZIVHNJRDE-KMSCOEIWSA-N 1 0 207.273 0.643 20 70 BCIDRO C[C@@H](O)C[N@H+](C)[C@@H]1CCN(C2CC2)C1=O ZINC000159509904 134776746 /nfs/dbraw/zinc/77/67/46/134776746.db2.gz HXJUYUNYVIQHNA-PSASIEDQSA-N 1 0 212.293 0.062 20 70 BCIDRO C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCCO1 ZINC000160138139 134800174 /nfs/dbraw/zinc/80/01/74/134800174.db2.gz PYZZSWLNDRDQFT-NXEZZACHSA-N 1 0 214.309 0.527 20 70 BCIDRO CSCC(=O)NCC1(C)CC[NH2+]CC1 ZINC000159977748 134831195 /nfs/dbraw/zinc/83/11/95/134831195.db2.gz AQKQLUROEOLASU-UHFFFAOYSA-N 1 0 216.350 0.855 20 70 BCIDRO C[N@H+](C[C@@H]1CCCOC1)CC1(O)CCOCC1 ZINC000160097651 397949560 /nfs/dbraw/zinc/94/95/60/397949560.db2.gz YKRNGSNKMXPBQY-LBPRGKRZSA-N 1 0 243.347 0.886 20 70 BCIDRO CC[C@@H](O)CC[NH2+][C@H]1CCCNC(=O)C1 ZINC000218776464 409670184 /nfs/dbraw/zinc/67/01/84/409670184.db2.gz GOLDVGCKTBHZDW-VHSXEESVSA-N 1 0 214.309 0.406 20 70 BCIDRO CC(C)(C)CC(=O)NCC(=O)N1CC[C@@H]([NH3+])C1 ZINC000160261303 166548128 /nfs/dbraw/zinc/54/81/28/166548128.db2.gz GPRYGDWJJGRLOM-SECBINFHSA-N 1 0 241.335 0.098 20 70 BCIDRO CC(C)OCCS(=O)(=O)NCC(C)(C)[NH3+] ZINC000160142224 167251187 /nfs/dbraw/zinc/25/11/87/167251187.db2.gz MQWWQEMVYXRAHU-UHFFFAOYSA-N 1 0 238.353 0.068 20 70 BCIDRO CC[C@@H](O)C[NH2+]CCN(CC)C1CC1 ZINC000218384893 411131208 /nfs/dbraw/zinc/13/12/08/411131208.db2.gz LOTZPEOWSNVBJL-LLVKDONJSA-N 1 0 200.326 0.831 20 70 BCIDRO CC1(NC(=O)c2ccc[nH]2)CC[NH2+]CC1 ZINC000160573805 168060722 /nfs/dbraw/zinc/06/07/22/168060722.db2.gz NZRRRFGGBAHLBP-UHFFFAOYSA-N 1 0 207.277 0.887 20 70 BCIDRO CCOC(=O)[C@@H](NC(=O)C[NH2+]C)[C@@H](C)CC ZINC000161505560 170254426 /nfs/dbraw/zinc/25/44/26/170254426.db2.gz HFVDFOBZRQTXGU-WPRPVWTQSA-N 1 0 230.308 0.300 20 70 BCIDRO CCC[C@@H](O)C[NH2+]C[C@H](O)COC(C)C ZINC000217916616 411577618 /nfs/dbraw/zinc/57/76/18/411577618.db2.gz WENKGFPCGYKIAS-MNOVXSKESA-N 1 0 219.325 0.523 20 70 BCIDRO CCC[C@H](O)CNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000217965785 411592017 /nfs/dbraw/zinc/59/20/17/411592017.db2.gz DZYHONPPTJKILR-KXUCPTDWSA-N 1 0 214.309 0.262 20 70 BCIDRO CN1CCC[C@@H]1C[NH2+]Cc1ccnn1C ZINC000218235123 173033977 /nfs/dbraw/zinc/03/39/77/173033977.db2.gz CATBFVAFYZVZKH-SNVBAGLBSA-N 1 0 208.309 0.604 20 70 BCIDRO C[NH2+]C[C@H]1CCCN1C(=O)/C=C/c1ccnn1C ZINC000161341531 173379247 /nfs/dbraw/zinc/37/92/47/173379247.db2.gz VIPZFXIFTDBTKX-BTDICHCPSA-N 1 0 248.330 0.644 20 70 BCIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2CSCCS2)C1 ZINC000160774721 173435702 /nfs/dbraw/zinc/43/57/02/173435702.db2.gz LWEGLMDFENUNFK-RKDXNWHRSA-N 1 0 246.401 0.655 20 70 BCIDRO CO[C@H](C)C(=O)NC1(C[NH3+])CCCC1 ZINC000160933487 174804589 /nfs/dbraw/zinc/80/45/89/174804589.db2.gz CPBDLWFZZUJZFC-MRVPVSSYSA-N 1 0 200.282 0.409 20 70 BCIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCOCC1CC1 ZINC000160526681 176196862 /nfs/dbraw/zinc/19/68/62/176196862.db2.gz KSOJZCNKFMUPQD-ZYHUDNBSSA-N 1 0 240.347 0.999 20 70 BCIDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1csnn1 ZINC000160539963 176459878 /nfs/dbraw/zinc/45/98/78/176459878.db2.gz POKZLJZDDHLTOD-NKWVEPMBSA-N 1 0 226.305 0.408 20 70 BCIDRO C[C@H](OC[C@H]1CCCO1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160271246 177021990 /nfs/dbraw/zinc/02/19/90/177021990.db2.gz IVQLYNAGERYPCL-HBNTYKKESA-N 1 0 242.319 0.130 20 70 BCIDRO O=C([C@H]1CC[NH2+]C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000218260611 262753156 /nfs/dbraw/zinc/75/31/56/262753156.db2.gz ULVQDINRUDQATK-SRVKXCTJSA-N 1 0 238.331 0.766 20 70 BCIDRO CC[C@@H]([NH3+])CNC(=O)c1oc(C)nc1C ZINC000159567033 323037351 /nfs/dbraw/zinc/03/73/51/323037351.db2.gz ZZGADFSRTILRIK-MRVPVSSYSA-N 1 0 211.265 0.759 20 70 BCIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccnn1C ZINC000159644339 323041788 /nfs/dbraw/zinc/04/17/88/323041788.db2.gz PKMQMUVHPQIHJO-NXEZZACHSA-N 1 0 236.319 0.506 20 70 BCIDRO CC(C)[NH2+]CCC(=O)Nc1cccn(C)c1=O ZINC000159675537 323043490 /nfs/dbraw/zinc/04/34/90/323043490.db2.gz JBXQMFWXFPPJKN-UHFFFAOYSA-N 1 0 237.303 0.712 20 70 BCIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc[nH]n1 ZINC000159695316 323044202 /nfs/dbraw/zinc/04/42/02/323044202.db2.gz MHOAMTPSXJNXAD-BDAKNGLRSA-N 1 0 222.292 0.496 20 70 BCIDRO CC[C@@H](C)OCC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000160102005 323060700 /nfs/dbraw/zinc/06/07/00/323060700.db2.gz YFYVFVGRAULNOQ-GHMZBOCLSA-N 1 0 228.336 0.869 20 70 BCIDRO Cn1cnnc1CN1CC[NH+](CC2CC2)CC1 ZINC000160815559 323136337 /nfs/dbraw/zinc/13/63/37/323136337.db2.gz KEYWILLYNWPKJO-UHFFFAOYSA-N 1 0 235.335 0.343 20 70 BCIDRO Cc1ocnc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161067549 487474844 /nfs/dbraw/zinc/47/48/44/487474844.db2.gz XVQLCQQGKNOHBG-RKDXNWHRSA-N 1 0 223.276 0.983 20 70 BCIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@H]2CSCN2)C1 ZINC000161196722 487484866 /nfs/dbraw/zinc/48/48/66/487484866.db2.gz DYXBCIODODQUAN-HLTSFMKQSA-N 1 0 229.349 0.035 20 70 BCIDRO Cn1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000161199779 487485039 /nfs/dbraw/zinc/48/50/39/487485039.db2.gz MPAVZZRPUPWIJR-UWVGGRQHSA-N 1 0 222.292 0.420 20 70 BCIDRO Cc1cc(=O)[nH]cc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161461994 487498878 /nfs/dbraw/zinc/49/88/78/487498878.db2.gz LCOVAJIASIEHPU-ZJUUUORDSA-N 1 0 249.314 0.683 20 70 BCIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCn2cccn2)C1 ZINC000161437275 487497576 /nfs/dbraw/zinc/49/75/76/487497576.db2.gz MHYPHLCIPPLHJG-MNOVXSKESA-N 1 0 236.319 0.659 20 70 BCIDRO CC(=O)N[C@@H]1CC[N@H+](CCC(C)(C)O)C1 ZINC000160320144 488123561 /nfs/dbraw/zinc/12/35/61/488123561.db2.gz MGLDZQHSSVVQFF-SNVBAGLBSA-N 1 0 214.309 0.358 20 70 BCIDRO CCC[C@H](O)CNC(=O)C[NH2+]C(C)C ZINC000217964353 490491131 /nfs/dbraw/zinc/49/11/31/490491131.db2.gz BGQSACKGXFXYMU-VIFPVBQESA-N 1 0 202.298 0.262 20 70 BCIDRO CCC[C@@H](O)CNC(=O)C[NH2+]C(C)C ZINC000217964264 584911669 /nfs/dbraw/zinc/91/16/69/584911669.db2.gz BGQSACKGXFXYMU-SECBINFHSA-N 1 0 202.298 0.262 20 70 BCIDRO C[NH2+]CCN(C)C(=O)/C=C\c1ccco1 ZINC000216702693 592072186 /nfs/dbraw/zinc/07/21/86/592072186.db2.gz VRRUAKLQIXJTDN-WAYWQWQTSA-N 1 0 208.261 0.971 20 70 BCIDRO C[C@H](C[NH2+]CCS(C)(=O)=O)N(C)C1CC1 ZINC000218564158 592164200 /nfs/dbraw/zinc/16/42/00/592164200.db2.gz UIKKWLIXCVTWAX-SECBINFHSA-N 1 0 234.365 0.103 20 70 BCIDRO C[C@@H](C(N)=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161340270 538915169 /nfs/dbraw/zinc/91/51/69/538915169.db2.gz ZCQVNOABGRJFSB-JTQLQIEISA-N 1 0 234.303 0.077 20 70 BCIDRO CCCC(=O)NCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160870345 488173684 /nfs/dbraw/zinc/17/36/84/488173684.db2.gz FECTUVGSFFQIPX-VHSXEESVSA-N 1 0 241.335 0.289 20 70 BCIDRO NC(=O)[C@@H]1CC[N@H+](Cc2cnc(N)s2)C1 ZINC000218310112 136269979 /nfs/dbraw/zinc/26/99/79/136269979.db2.gz IXKVOYHYKUWUTB-ZCFIWIBFSA-N 1 0 226.305 0.033 20 70 BCIDRO CSCCN(C)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000159598610 343202331 /nfs/dbraw/zinc/20/23/31/343202331.db2.gz GGOCJNLFLBEBOI-JTQLQIEISA-N 1 0 216.350 0.950 20 70 BCIDRO CCCNS(=O)(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000160947048 343203935 /nfs/dbraw/zinc/20/39/35/343203935.db2.gz ADCXOPVAAPMRCS-IUCAKERBSA-N 1 0 235.353 0.042 20 70 BCIDRO O=C(NCC1=CC[NH2+]CC1)C1CC=CC1 ZINC000160513468 133507901 /nfs/dbraw/zinc/50/79/01/133507901.db2.gz ZTBXPEIVFBWODU-UHFFFAOYSA-N 1 0 206.289 0.989 20 70 BCIDRO CC(C)N(C)C(=O)[C@H](C)[N@H+](C)C[C@@H](C)O ZINC000159438512 345435049 /nfs/dbraw/zinc/43/50/49/345435049.db2.gz OHWKFVUBQBBHNM-ZJUUUORDSA-N 1 0 216.325 0.554 20 70 BCIDRO CNC(=O)[C@H]1CCC[N@@H+]1CCOCC1CC1 ZINC000159555150 345440654 /nfs/dbraw/zinc/44/06/54/345440654.db2.gz FKPLXZMYAPUVGH-LLVKDONJSA-N 1 0 226.320 0.623 20 70 BCIDRO C[N@@H+]1CCCN(C(=O)N[C@@H]2CCOC2)CC1 ZINC000159546861 345442090 /nfs/dbraw/zinc/44/20/90/345442090.db2.gz ZASOWUXFRRKSIQ-SNVBAGLBSA-N 1 0 227.308 0.122 20 70 BCIDRO CC[C@@H](C)[C@@H](O)CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000159818882 345474780 /nfs/dbraw/zinc/47/47/80/345474780.db2.gz VGPSCSOKZGSSEQ-MXWKQRLJSA-N 1 0 228.336 0.509 20 70 BCIDRO CC[C@@H](C)[C@@H](O)CNC(=O)[C@@H]([NH3+])CCSC ZINC000159817298 345556194 /nfs/dbraw/zinc/55/61/94/345556194.db2.gz ZJCKRIDUGOEVPG-UTLUCORTSA-N 1 0 248.392 0.590 20 70 BCIDRO NC(=O)[C@H]1C[N@H+](CCC2CCCC2)CCO1 ZINC000159898722 345589846 /nfs/dbraw/zinc/58/98/46/345589846.db2.gz JZORPJCDBGUXIW-LLVKDONJSA-N 1 0 226.320 0.753 20 70 BCIDRO O=C([C@@H]1CCCS1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000216991021 345744246 /nfs/dbraw/zinc/74/42/46/345744246.db2.gz QSRVSHRWHOYYBP-UTLUCORTSA-N 1 0 226.345 0.702 20 70 BCIDRO CC(C)([NH3+])CNC(=O)[C@H]1CC12CCOCC2 ZINC000159971674 345762555 /nfs/dbraw/zinc/76/25/55/345762555.db2.gz IXVVXTCRCJZHHK-SECBINFHSA-N 1 0 226.320 0.657 20 70 BCIDRO COC(=O)CC[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000161210461 346088866 /nfs/dbraw/zinc/08/88/66/346088866.db2.gz JHTXTLRFIMOFHP-DTWKUNHWSA-N 1 0 201.266 0.252 20 70 BCIDRO COC(=O)CC[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000161210574 346089126 /nfs/dbraw/zinc/08/91/26/346089126.db2.gz JHTXTLRFIMOFHP-RKDXNWHRSA-N 1 0 201.266 0.252 20 70 BCIDRO CCC[C@H]([NH3+])C(=O)NC(C)(C)C(=O)N(C)C ZINC000159408864 346420518 /nfs/dbraw/zinc/42/05/18/346420518.db2.gz NPWYIMGDQZPXKO-QMMMGPOBSA-N 1 0 229.324 0.097 20 70 BCIDRO CC(C)[C@H](O)CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000160898457 349336298 /nfs/dbraw/zinc/33/62/98/349336298.db2.gz OBQIALYKXLEFNK-GHMZBOCLSA-N 1 0 228.336 0.509 20 70 BCIDRO CCOC[C@@H](O)C[NH2+][C@@H]1CCCSC1 ZINC000161271439 349413299 /nfs/dbraw/zinc/41/32/99/349413299.db2.gz AJEAVUNBJPWJSV-ZJUUUORDSA-N 1 0 219.350 0.869 20 70 BCIDRO Cc1nccn1CC[N@@H+](C)CC[C@H](C)O ZINC000160390797 180252578 /nfs/dbraw/zinc/25/25/78/180252578.db2.gz NIXUAKZSOGWGDY-JTQLQIEISA-N 1 0 211.309 0.894 20 70 BCIDRO CCOC(=O)CCN(C)[C@@H]1CC[NH2+]C1 ZINC000218257106 351461758 /nfs/dbraw/zinc/46/17/58/351461758.db2.gz VBFBFEPXSLNFDG-SECBINFHSA-N 1 0 200.282 0.233 20 70 BCIDRO CC[C@@H]([NH2+]CC(=O)NC(C)C)c1cnn(C)c1 ZINC000160910712 538111578 /nfs/dbraw/zinc/11/15/78/538111578.db2.gz BVUWVCLZDWFJII-LLVKDONJSA-N 1 0 238.335 0.985 20 70 BCIDRO CSCCN(C)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000159999732 324138181 /nfs/dbraw/zinc/13/81/81/324138181.db2.gz HBLFPSAMXSNDOB-JTQLQIEISA-N 1 0 216.350 0.807 20 70 BCIDRO CC(C)(O)CC[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000160267612 535285122 /nfs/dbraw/zinc/28/51/22/535285122.db2.gz IKICWHLYJKNHPN-GFCCVEGCSA-N 1 0 228.336 0.877 20 70 BCIDRO CCN(CC[NH3+])C(=O)c1cncc(F)c1 ZINC000160118260 356335559 /nfs/dbraw/zinc/33/55/59/356335559.db2.gz QPJMKMASNZCSJL-UHFFFAOYSA-N 1 0 211.240 0.642 20 70 BCIDRO NC(=O)[C@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000159842135 538879615 /nfs/dbraw/zinc/87/96/15/538879615.db2.gz NDWBLLUHIIBCFK-JTQLQIEISA-N 1 0 244.298 0.642 20 70 BCIDRO CCOC[C@H](O)C[NH2+][C@H](CC)CCO ZINC000217816584 357911279 /nfs/dbraw/zinc/91/12/79/357911279.db2.gz BERMDOCNNYYSRG-NXEZZACHSA-N 1 0 205.298 0.134 20 70 BCIDRO CCN(CC[NH2+]C[C@H](O)COC)C1CC1 ZINC000218512518 357964714 /nfs/dbraw/zinc/96/47/14/357964714.db2.gz WDOUWQMFJLUVPN-NSHDSACASA-N 1 0 216.325 0.068 20 70 BCIDRO CSCCN(C)C(=O)[C@H]([NH3+])C(C)C ZINC000160002464 361297000 /nfs/dbraw/zinc/29/70/00/361297000.db2.gz VCHIBQJVBIFOSG-MRVPVSSYSA-N 1 0 204.339 0.791 20 70 BCIDRO C[C@@H](NC(=O)C[NH3+])C(=O)Nc1ccccc1 ZINC000159893855 361294587 /nfs/dbraw/zinc/29/45/87/361294587.db2.gz DQIYYKBROTVASH-MRVPVSSYSA-N 1 0 221.260 0.089 20 70 BCIDRO CC(C)C[C@H]1COCCN1C(=O)[C@@H](C)[NH3+] ZINC000159629665 361271995 /nfs/dbraw/zinc/27/19/95/361271995.db2.gz PTFOPGHVJZZTNE-ZJUUUORDSA-N 1 0 214.309 0.607 20 70 BCIDRO CCCNS(=O)(=O)N[C@@H](C[NH3+])CC(C)C ZINC000160866160 361331656 /nfs/dbraw/zinc/33/16/56/361331656.db2.gz ACDBNPKPJLQWHO-SECBINFHSA-N 1 0 237.369 0.194 20 70 BCIDRO CCCNS(=O)(=O)N(C)CC(C)(C)C[NH3+] ZINC000160921155 361332990 /nfs/dbraw/zinc/33/29/90/361332990.db2.gz ZEKVXFHQUWCICX-UHFFFAOYSA-N 1 0 237.369 0.148 20 70 BCIDRO [NH3+]C1(CNC(=O)c2ccc(=O)[nH]c2)CCCCC1 ZINC000159738366 181331373 /nfs/dbraw/zinc/33/13/73/181331373.db2.gz MSYIKVYOCSOHQF-UHFFFAOYSA-N 1 0 249.314 0.766 20 70 BCIDRO CCC[N@H+](CCO)Cc1cnc2cnccn12 ZINC000161202981 169166782 /nfs/dbraw/zinc/16/67/82/169166782.db2.gz JLLYMZAQGCDSCK-UHFFFAOYSA-N 1 0 234.303 0.934 20 70 BCIDRO CCCOCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000160837486 169306655 /nfs/dbraw/zinc/30/66/55/169306655.db2.gz DCDQLNDTAHFWRB-ZJUUUORDSA-N 1 0 214.309 0.799 20 70 BCIDRO CCCOCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160837227 169307000 /nfs/dbraw/zinc/30/70/00/169307000.db2.gz DCDQLNDTAHFWRB-UWVGGRQHSA-N 1 0 214.309 0.799 20 70 BCIDRO CCC[C@@H](C(=O)NCc1nncn1C)[NH+](C)C ZINC000159751597 169344908 /nfs/dbraw/zinc/34/49/08/169344908.db2.gz DHIYOFQLHQWOFC-VIFPVBQESA-N 1 0 239.323 0.162 20 70 BCIDRO Cn1cccc(NC(=O)[C@@H]2CCC[NH2+]C2)c1=O ZINC000159676157 384347783 /nfs/dbraw/zinc/34/77/83/384347783.db2.gz HQKLFBGYVPBSED-SECBINFHSA-N 1 0 235.287 0.323 20 70 BCIDRO CCC[C@H](C(=O)Nc1nc[nH]n1)[NH+](C)C ZINC000159815813 384359525 /nfs/dbraw/zinc/35/95/25/384359525.db2.gz ZGLPFQZQBVWQOL-SSDOTTSWSA-N 1 0 211.269 0.474 20 70 BCIDRO COC[C@@H](C)[NH2+][C@H](CCO)CSC ZINC000160414106 384408063 /nfs/dbraw/zinc/40/80/63/384408063.db2.gz RSLWZFNYDDZSPZ-RKDXNWHRSA-N 1 0 207.339 0.725 20 70 BCIDRO C[C@H]([NH3+])C(=O)NCc1ncc(C(C)(C)C)o1 ZINC000160636298 384425573 /nfs/dbraw/zinc/42/55/73/384425573.db2.gz XXMDXMKGYNNANZ-ZETCQYMHSA-N 1 0 225.292 0.936 20 70 BCIDRO COCc1ccc(C(=O)NCCC[NH3+])cc1 ZINC000160134129 384388171 /nfs/dbraw/zinc/38/81/71/384388171.db2.gz CGCKQFYXSNUSNO-UHFFFAOYSA-N 1 0 222.288 0.912 20 70 BCIDRO CC[C@H](O)C[NH2+][C@@H](C)CS(=O)(=O)CC ZINC000217327683 384480269 /nfs/dbraw/zinc/48/02/69/384480269.db2.gz YSZZCSLAEUDVKX-IUCAKERBSA-N 1 0 223.338 0.170 20 70 BCIDRO CN(Cc1nncn1C)C[C@@H]1CCCCO1 ZINC000160833012 384937340 /nfs/dbraw/zinc/93/73/40/384937340.db2.gz RDMRNZHIUXLKOA-JTQLQIEISA-N 1 0 224.308 0.816 20 70 BCIDRO C[C@@H]([NH3+])C(=O)Nc1cnn(CC(F)F)c1 ZINC000160989905 384961548 /nfs/dbraw/zinc/96/15/48/384961548.db2.gz GYOBFDIMUDOSKQ-RXMQYKEDSA-N 1 0 218.207 0.434 20 70 BCIDRO CN(C)C(=O)C[N@H+](C)[C@@H]1CCCC[C@@H]1O ZINC000160769524 385717028 /nfs/dbraw/zinc/71/70/28/385717028.db2.gz NGJYBOVCVMNTFB-ZJUUUORDSA-N 1 0 214.309 0.310 20 70 BCIDRO CC[C@H]([NH3+])C(=O)NC[C@@H](O)c1ccsc1 ZINC000161502470 386326200 /nfs/dbraw/zinc/32/62/00/386326200.db2.gz HUPYCTZZNJODDT-DTWKUNHWSA-N 1 0 228.317 0.635 20 70 BCIDRO CC[C@@H](CCO)[NH2+]C[C@H](O)COC(C)C ZINC000217854586 387422717 /nfs/dbraw/zinc/42/27/17/387422717.db2.gz IPAVAOLYNBRFCS-QWRGUYRKSA-N 1 0 219.325 0.523 20 70 BCIDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1CCCCO ZINC000159384388 388010655 /nfs/dbraw/zinc/01/06/55/388010655.db2.gz SEMHJSUWQHWTMA-GHMZBOCLSA-N 1 0 201.310 0.994 20 70 BCIDRO C[C@@H](O)C[C@@H](C)CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000160567284 388074692 /nfs/dbraw/zinc/07/46/92/388074692.db2.gz RYKUPQFKDGXQPS-GMTAPVOTSA-N 1 0 228.336 0.652 20 70 BCIDRO CO[C@@H](C)C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000160938750 388104946 /nfs/dbraw/zinc/10/49/46/388104946.db2.gz AIECMXJHUUTJHD-ONGXEEELSA-N 1 0 216.325 0.901 20 70 BCIDRO C[C@H]1C[N@@H+](CCCS(N)(=O)=O)CC[C@@H]1C ZINC000160981326 388108093 /nfs/dbraw/zinc/10/80/93/388108093.db2.gz CBZWMVOSLVJBHM-UWVGGRQHSA-N 1 0 234.365 0.643 20 70 BCIDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1cccs1 ZINC000160138677 388047378 /nfs/dbraw/zinc/04/73/78/388047378.db2.gz PJGWDQCQOVPDLN-MRVPVSSYSA-N 1 0 248.373 0.882 20 70 BCIDRO CCS(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217892254 134250364 /nfs/dbraw/zinc/25/03/64/134250364.db2.gz JAMZNOLCJLFGNK-UWVGGRQHSA-N 1 0 232.349 0.553 20 70 BCIDRO NS(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160148320 134799766 /nfs/dbraw/zinc/79/97/66/134799766.db2.gz YTJURVZSYBBISD-SNVBAGLBSA-N 1 0 247.364 0.140 20 70 BCIDRO Cc1nc(CCNC(=O)C[NH+](C)C)sc1C ZINC000160089437 397767616 /nfs/dbraw/zinc/76/76/16/397767616.db2.gz ZDSCRJNAFQDZPS-UHFFFAOYSA-N 1 0 241.360 0.980 20 70 BCIDRO CCN(C)C(=O)C[NH2+][C@H]1CS[C@H](C)C1 ZINC000217354268 411378226 /nfs/dbraw/zinc/37/82/26/411378226.db2.gz PZBQAJHJCVEGAG-RKDXNWHRSA-N 1 0 216.350 0.948 20 70 BCIDRO CCOC(=O)[C@H](C)CNC(=O)CCC[NH3+] ZINC000160803440 170263874 /nfs/dbraw/zinc/26/38/74/170263874.db2.gz KBDAECCHYLFJLT-MRVPVSSYSA-N 1 0 216.281 0.041 20 70 BCIDRO CC[C@@H](O)C[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000218674586 412013580 /nfs/dbraw/zinc/01/35/80/412013580.db2.gz JXAHQODTLUYLQU-MWLCHTKSSA-N 1 0 200.326 0.830 20 70 BCIDRO CC[C@H](O)C[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000218674653 412013686 /nfs/dbraw/zinc/01/36/86/412013686.db2.gz JXAHQODTLUYLQU-KOLCDFICSA-N 1 0 200.326 0.830 20 70 BCIDRO CCc1noc2ncc(C(=O)NCCC[NH3+])cc12 ZINC000160010598 172093108 /nfs/dbraw/zinc/09/31/08/172093108.db2.gz DOKADEIAAAYFDK-UHFFFAOYSA-N 1 0 248.286 0.864 20 70 BCIDRO CNC(=O)c1cccc(CCNC(=O)[C@H](C)[NH3+])c1 ZINC000161417286 173311965 /nfs/dbraw/zinc/31/19/65/173311965.db2.gz IXDJWSIPTBSROW-VIFPVBQESA-N 1 0 249.314 0.052 20 70 BCIDRO C[NH2+]CC(=O)NC[C@@H](C)Oc1cccc(F)c1 ZINC000161147711 173329238 /nfs/dbraw/zinc/32/92/38/173329238.db2.gz ZFOYUUSXFMOPSK-SECBINFHSA-N 1 0 240.278 0.929 20 70 BCIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)OC ZINC000160943357 173368765 /nfs/dbraw/zinc/36/87/65/173368765.db2.gz HMNWJLDLLUXNIU-BDAKNGLRSA-N 1 0 200.282 0.232 20 70 BCIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)OC ZINC000160942989 173380063 /nfs/dbraw/zinc/38/00/63/173380063.db2.gz HMNWJLDLLUXNIU-DTWKUNHWSA-N 1 0 200.282 0.232 20 70 BCIDRO CO[C@H](C)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000160934771 174807964 /nfs/dbraw/zinc/80/79/64/174807964.db2.gz RUKQLCXKISJAJH-GMSGAONNSA-N 1 0 200.282 0.265 20 70 BCIDRO C[C@@]1(CNC(=O)C2([NH3+])CC2)CCCC[C@@H]1O ZINC000160838148 176531783 /nfs/dbraw/zinc/53/17/83/176531783.db2.gz QCJYGBNVSJMBAA-ONGXEEELSA-N 1 0 226.320 0.535 20 70 BCIDRO C[C@H]1CCCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000216859763 177094252 /nfs/dbraw/zinc/09/42/52/177094252.db2.gz OEFVLVNNXBRCEJ-HBNTYKKESA-N 1 0 226.320 0.358 20 70 BCIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCOCC1CC1 ZINC000160526581 177197985 /nfs/dbraw/zinc/19/79/85/177197985.db2.gz KSOJZCNKFMUPQD-JQWIXIFHSA-N 1 0 240.347 0.999 20 70 BCIDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1csnn1 ZINC000160540092 177395105 /nfs/dbraw/zinc/39/51/05/177395105.db2.gz POKZLJZDDHLTOD-RQJHMYQMSA-N 1 0 226.305 0.408 20 70 BCIDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc[nH]1 ZINC000160536328 177395153 /nfs/dbraw/zinc/39/51/53/177395153.db2.gz XQGJNTAUWVMURG-BDAKNGLRSA-N 1 0 207.277 0.885 20 70 BCIDRO CCO[C@@H](CC)C(=O)N1CC[NH2+]CC1 ZINC000159433797 322968687 /nfs/dbraw/zinc/96/86/87/322968687.db2.gz FFDZYJVMIYRSCY-VIFPVBQESA-N 1 0 200.282 0.233 20 70 BCIDRO COC(=O)NCC(=O)NCC1([NH3+])CCCCC1 ZINC000159511508 323003075 /nfs/dbraw/zinc/00/30/75/323003075.db2.gz KUWBCDAOQPUZIJ-UHFFFAOYSA-N 1 0 243.307 0.120 20 70 BCIDRO CC[C@](C)(O)C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000159562345 323037131 /nfs/dbraw/zinc/03/71/31/323037131.db2.gz TXBVFZJBNPLHIS-YWVKMMECSA-N 1 0 201.310 0.896 20 70 BCIDRO CO[C@@H](C)C(=O)N(C)CCC[NH+](C)C ZINC000161188509 323037663 /nfs/dbraw/zinc/03/76/63/323037663.db2.gz MLGTVYQFLWROLR-VIFPVBQESA-N 1 0 202.298 0.431 20 70 BCIDRO CN(C(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O)C1CC1 ZINC000159661935 323043310 /nfs/dbraw/zinc/04/33/10/323043310.db2.gz PDJGCEVXEKMSFW-PWSUYJOCSA-N 1 0 240.347 0.700 20 70 BCIDRO CSCCN(C)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000159999876 323057209 /nfs/dbraw/zinc/05/72/09/323057209.db2.gz HBLFPSAMXSNDOB-SNVBAGLBSA-N 1 0 216.350 0.807 20 70 BCIDRO Cc1nn(C)cc1CN1CCC[C@H]1C(N)=O ZINC000160310936 323064937 /nfs/dbraw/zinc/06/49/37/323064937.db2.gz YJPWFMSSOIZIKF-JTQLQIEISA-N 1 0 222.292 0.178 20 70 BCIDRO CCC[C@H](O)CNC(=O)[C@@H](CC)[NH+](C)C ZINC000160421314 323066253 /nfs/dbraw/zinc/06/62/53/323066253.db2.gz OWYDQPQDRFVCQZ-VHSXEESVSA-N 1 0 216.325 0.604 20 70 BCIDRO CC[C@H](C(=O)N[C@H](CO)CC(C)C)[NH+](C)C ZINC000160886843 323137678 /nfs/dbraw/zinc/13/76/78/323137678.db2.gz IPFNOAPAWPXEJJ-WDEREUQCSA-N 1 0 230.352 0.850 20 70 BCIDRO C[C@@H](C(=O)N[C@H]1c2ccccc2C[C@@H]1O)[NH+](C)C ZINC000159895191 488091137 /nfs/dbraw/zinc/09/11/37/488091137.db2.gz QSTYBKZGFSQQGR-XDTLVQLUSA-N 1 0 248.326 0.711 20 70 BCIDRO Cc1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)no1 ZINC000161145583 487480355 /nfs/dbraw/zinc/48/03/55/487480355.db2.gz NSGDOZSXZVOHQG-IUCAKERBSA-N 1 0 223.276 0.983 20 70 BCIDRO Cn1cc(CC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000161204637 487484383 /nfs/dbraw/zinc/48/43/83/487484383.db2.gz ZIPMSAMDZDHMIO-QWRGUYRKSA-N 1 0 236.319 0.349 20 70 BCIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Cc2ccon2)C1 ZINC000160769336 488161901 /nfs/dbraw/zinc/16/19/01/488161901.db2.gz VLGXSSVFODYTJY-RKDXNWHRSA-N 1 0 223.276 0.603 20 70 BCIDRO CC(=O)N[C@@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000159757758 490564010 /nfs/dbraw/zinc/56/40/10/490564010.db2.gz JCXNAQNQXWNBTA-GFCCVEGCSA-N 1 0 236.319 0.484 20 70 BCIDRO CCC(CC)[C@@H](CNC(N)=[NH2+])N1CCOCC1 ZINC000161489121 349463574 /nfs/dbraw/zinc/46/35/74/349463574.db2.gz YIDVHPWIVSHSBH-LLVKDONJSA-N 1 0 242.367 0.606 20 70 BCIDRO CCC(CC)(C[NH3+])NC(=O)[C@H](C)OC ZINC000160933759 168324648 /nfs/dbraw/zinc/32/46/48/168324648.db2.gz DECYTRGJGDGJQU-QMMMGPOBSA-N 1 0 202.298 0.655 20 70 BCIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccon2)C1 ZINC000161163825 398167293 /nfs/dbraw/zinc/16/72/93/398167293.db2.gz MJQPXDXWLCPSDX-JGVFFNPUSA-N 1 0 209.249 0.674 20 70 BCIDRO CCC([NH3+])(CC)CNC(=O)[C@@H](C)OC ZINC000160942422 168416622 /nfs/dbraw/zinc/41/66/22/168416622.db2.gz XSVYSFFLURJAQX-MRVPVSSYSA-N 1 0 202.298 0.655 20 70 BCIDRO C[NH2+]CCCC(=O)N(C)CCSC ZINC000160005866 343203091 /nfs/dbraw/zinc/20/30/91/343203091.db2.gz MUXQGHOFMFRVGM-UHFFFAOYSA-N 1 0 204.339 0.807 20 70 BCIDRO CSCCN(C)C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000160010300 343203140 /nfs/dbraw/zinc/20/31/40/343203140.db2.gz FHATUBGYWJAANV-IUCAKERBSA-N 1 0 216.350 0.806 20 70 BCIDRO CSCCN(C)C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000160010050 343203145 /nfs/dbraw/zinc/20/31/45/343203145.db2.gz FHATUBGYWJAANV-DTWKUNHWSA-N 1 0 216.350 0.806 20 70 BCIDRO CO[C@@H](C)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000159972942 536858931 /nfs/dbraw/zinc/85/89/31/536858931.db2.gz VTGBIAZSLQPOMX-ONGXEEELSA-N 1 0 214.309 0.527 20 70 BCIDRO COCCC1(C(=O)N2CC[NH2+]CC2)CCC1 ZINC000159426563 345433780 /nfs/dbraw/zinc/43/37/80/345433780.db2.gz LGNMTSSGHXKJCG-UHFFFAOYSA-N 1 0 226.320 0.625 20 70 BCIDRO CC[C@@H](C(=O)N[C@H](C)C(=O)OC)[NH+](C)C ZINC000159630577 345447319 /nfs/dbraw/zinc/44/73/19/345447319.db2.gz SIGDRTKNLMWYBC-SFYZADRCSA-N 1 0 216.281 0.004 20 70 BCIDRO CC[C@H](C(=O)N[C@H](C)C(=O)OC)[NH+](C)C ZINC000159630723 345447519 /nfs/dbraw/zinc/44/75/19/345447519.db2.gz SIGDRTKNLMWYBC-HTQZYQBOSA-N 1 0 216.281 0.004 20 70 BCIDRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCO ZINC000159715162 345494017 /nfs/dbraw/zinc/49/40/17/345494017.db2.gz WELMHFFXLNLUSQ-OCCSQVGLSA-N 1 0 249.358 0.874 20 70 BCIDRO CC(C)[N@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159919102 345655157 /nfs/dbraw/zinc/65/51/57/345655157.db2.gz POTPZHHNEHDJMM-TXEJJXNPSA-N 1 0 239.363 0.680 20 70 BCIDRO CC(C)S(=O)(=O)CCCN1CC[C@H]([NH3+])C1 ZINC000216879550 345744598 /nfs/dbraw/zinc/74/45/98/345744598.db2.gz POQAHFHSZASNKT-JTQLQIEISA-N 1 0 234.365 0.233 20 70 BCIDRO C[C@H](O)C[N@H+](C)[C@@H]1CCN(C2CC2)C1=O ZINC000159509773 346423622 /nfs/dbraw/zinc/42/36/22/346423622.db2.gz HXJUYUNYVIQHNA-WCBMZHEXSA-N 1 0 212.293 0.062 20 70 BCIDRO COC[C@@H](O)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000160819746 349328794 /nfs/dbraw/zinc/32/87/94/349328794.db2.gz CPNDXVZDRWBPEW-WDEREUQCSA-N 1 0 246.351 0.086 20 70 BCIDRO C[C@@H]1C(=O)NCCN1CCC[NH+]1CCCCC1 ZINC000161319730 349421660 /nfs/dbraw/zinc/42/16/60/349421660.db2.gz FYMNAUZHNCKZLW-GFCCVEGCSA-N 1 0 239.363 0.683 20 70 BCIDRO C[C@@H](O)[C@H]1CC[N@H+](CCCCCO)C1 ZINC000159426109 350185502 /nfs/dbraw/zinc/18/55/02/350185502.db2.gz IIQJUYHECVVMDI-MNOVXSKESA-N 1 0 201.310 0.852 20 70 BCIDRO COCCCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000159550559 350234644 /nfs/dbraw/zinc/23/46/44/350234644.db2.gz HMFKSNKTKSDRCI-LLVKDONJSA-N 1 0 214.309 0.671 20 70 BCIDRO CC(C)(C)OC(=O)CC[N@@H+]1CC[C@@H](O)C1 ZINC000159613827 350254027 /nfs/dbraw/zinc/25/40/27/350254027.db2.gz GQWMSZZWGQBQES-SECBINFHSA-N 1 0 215.293 0.785 20 70 BCIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC1=CCCOC1 ZINC000159663640 350968108 /nfs/dbraw/zinc/96/81/08/350968108.db2.gz FLAGAHPYFHZWJH-CMPLNLGQSA-N 1 0 238.331 0.919 20 70 BCIDRO COC(=O)[C@@](C)(O)C[N@H+](C)CCSC ZINC000160111494 353139796 /nfs/dbraw/zinc/13/97/96/353139796.db2.gz FUKLHULGJHIMHC-VIFPVBQESA-N 1 0 221.322 0.205 20 70 BCIDRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)C1CC1 ZINC000160166429 188578958 /nfs/dbraw/zinc/57/89/58/188578958.db2.gz CYLWOJOPQYCAAK-SNVBAGLBSA-N 1 0 234.365 0.832 20 70 BCIDRO C[C@H](CO)C[N@@H+]1CCC[C@H](CCO)C1 ZINC000160944819 538456197 /nfs/dbraw/zinc/45/61/97/538456197.db2.gz QMPOEDVDLWHEID-WDEREUQCSA-N 1 0 201.310 0.709 20 70 BCIDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N1CCOCC1 ZINC000160667545 357165129 /nfs/dbraw/zinc/16/51/29/357165129.db2.gz WPHZAYHXNWOQTF-NSHDSACASA-N 1 0 241.335 0.465 20 70 BCIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cncnc1 ZINC000159507629 538877570 /nfs/dbraw/zinc/87/75/70/538877570.db2.gz AYIHJDKBZFXSHL-KOLCDFICSA-N 1 0 234.303 0.562 20 70 BCIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cncnc1 ZINC000159508015 538877906 /nfs/dbraw/zinc/87/79/06/538877906.db2.gz AYIHJDKBZFXSHL-GXSJLCMTSA-N 1 0 234.303 0.562 20 70 BCIDRO CCC[C@H](O)C[NH2+]C[C@H](O)COCC ZINC000217877561 357911447 /nfs/dbraw/zinc/91/14/47/357911447.db2.gz RIUKEFHHNCSFGL-UWVGGRQHSA-N 1 0 205.298 0.134 20 70 BCIDRO CCC[C@@H](O)C[NH2+]C[C@H](O)C(F)(F)F ZINC000217917732 357917440 /nfs/dbraw/zinc/91/74/40/357917440.db2.gz YGOIIZWKXUTYTN-RQJHMYQMSA-N 1 0 215.215 0.660 20 70 BCIDRO CC[C@@H](O)CC[NH2+]Cc1cn(C)nc1C ZINC000160167563 361301703 /nfs/dbraw/zinc/30/17/03/361301703.db2.gz SFSDMNSXLXZGMO-LLVKDONJSA-N 1 0 211.309 0.979 20 70 BCIDRO CO[C@H](C)C(=O)NCCCC[NH+](C)C ZINC000160565339 361320306 /nfs/dbraw/zinc/32/03/06/361320306.db2.gz FPNYTKVRGBNSBS-SECBINFHSA-N 1 0 202.298 0.479 20 70 BCIDRO [NH3+]CCCNC(=O)CSC(F)(F)F ZINC000160033124 181380809 /nfs/dbraw/zinc/38/08/09/181380809.db2.gz SLEWDGWLDGDQMA-UHFFFAOYSA-N 1 0 216.228 0.704 20 70 BCIDRO [NH3+]CCCNC(=O)c1ccnc(-n2cccn2)c1 ZINC000160150730 181382065 /nfs/dbraw/zinc/38/20/65/181382065.db2.gz GTHLUFSLHBHJNH-UHFFFAOYSA-N 1 0 245.286 0.346 20 70 BCIDRO CCCNS(=O)(=O)NC1CCC([NH3+])CC1 ZINC000160469862 169271566 /nfs/dbraw/zinc/27/15/66/169271566.db2.gz DVOSUANXPNOJPP-UHFFFAOYSA-N 1 0 235.353 0.090 20 70 BCIDRO CCCCOCC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000160558450 384187671 /nfs/dbraw/zinc/18/76/71/384187671.db2.gz ATYLNTVWNUBFQD-SNVBAGLBSA-N 1 0 214.309 0.623 20 70 BCIDRO C[C@H]([NH3+])C(=O)NCCc1cc(F)ccc1F ZINC000159667697 384349245 /nfs/dbraw/zinc/34/92/45/384349245.db2.gz PNKJNLXLNNQYNY-ZETCQYMHSA-N 1 0 228.242 0.971 20 70 BCIDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1CCCCO ZINC000159384021 384412248 /nfs/dbraw/zinc/41/22/48/384412248.db2.gz SEMHJSUWQHWTMA-QWRGUYRKSA-N 1 0 201.310 0.994 20 70 BCIDRO CC(=O)c1cc(C(=O)NCC(C)(C)[NH3+])n(C)c1 ZINC000159984393 384376402 /nfs/dbraw/zinc/37/64/02/384376402.db2.gz HCCDPCKHJQNCFD-UHFFFAOYSA-N 1 0 237.303 0.695 20 70 BCIDRO CCCC(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000161044734 384933848 /nfs/dbraw/zinc/93/38/48/384933848.db2.gz GIWYQHYNXJYMKF-ZJUUUORDSA-N 1 0 214.309 0.751 20 70 BCIDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CCOC1 ZINC000160668906 385700852 /nfs/dbraw/zinc/70/08/52/385700852.db2.gz CSGMGVPDMLKQAH-MNOVXSKESA-N 1 0 241.335 0.511 20 70 BCIDRO C[C@@H]([NH3+])C(=O)NC[C@H](O)c1ccsc1 ZINC000161499373 386314696 /nfs/dbraw/zinc/31/46/96/386314696.db2.gz RVPOMFPBQFVPIX-SVRRBLITSA-N 1 0 214.290 0.245 20 70 BCIDRO CC(C)([NH3+])CNC(=O)CC[C@@H]1CCOC1 ZINC000160052376 388043112 /nfs/dbraw/zinc/04/31/12/388043112.db2.gz ZWZUWTQGHAIAEE-SECBINFHSA-N 1 0 214.309 0.657 20 70 BCIDRO CCC(CC)[C@H](O)CNC(=O)CCC[NH3+] ZINC000159762285 388029670 /nfs/dbraw/zinc/02/96/70/388029670.db2.gz YNGLNEVDSIPGGF-SNVBAGLBSA-N 1 0 216.325 0.639 20 70 BCIDRO CCC[C@H](O)CNC(=O)[C@H]([NH3+])CCSC ZINC000159763074 388030184 /nfs/dbraw/zinc/03/01/84/388030184.db2.gz PYXGSBODHYEKGM-DTWKUNHWSA-N 1 0 234.365 0.344 20 70 BCIDRO O=S(=O)(CC1CC1)NCC1=CC[NH2+]CC1 ZINC000160518044 388072264 /nfs/dbraw/zinc/07/22/64/388072264.db2.gz RUCLQDVEGLTPCR-UHFFFAOYSA-N 1 0 230.333 0.236 20 70 BCIDRO C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]1)C[C@H](C)O ZINC000160572793 388075550 /nfs/dbraw/zinc/07/55/50/388075550.db2.gz WMNLDIPDOWPBTL-VWYCJHECSA-N 1 0 228.336 0.652 20 70 BCIDRO CC[C@H]([NH3+])C(=O)NCC(C)(C)C(=O)OC ZINC000160809979 388091708 /nfs/dbraw/zinc/09/17/08/388091708.db2.gz WQCMMABWJXUGKU-ZETCQYMHSA-N 1 0 216.281 0.039 20 70 BCIDRO COC(C)(C)CNC(=O)[C@H]([NH3+])CCSC ZINC000160895482 388099462 /nfs/dbraw/zinc/09/94/62/388099462.db2.gz AKTNYXXDRAUVQS-MRVPVSSYSA-N 1 0 234.365 0.608 20 70 BCIDRO O[C@@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000160917883 388101158 /nfs/dbraw/zinc/10/11/58/388101158.db2.gz ITEFNJCVSXUXFV-GFCCVEGCSA-N 1 0 212.337 0.929 20 70 BCIDRO CSCC[C@@H]([NH3+])C(=O)N(C)CC[C@H](C)O ZINC000160923491 388101724 /nfs/dbraw/zinc/10/17/24/388101724.db2.gz AXCVCDRPBBYFFB-DTWKUNHWSA-N 1 0 234.365 0.296 20 70 BCIDRO [NH3+][C@H](CNC(=O)c1csnn1)C1CC1 ZINC000160129306 388047878 /nfs/dbraw/zinc/04/78/78/388047878.db2.gz ILQXQMFMFQVPKO-ZCFIWIBFSA-N 1 0 212.278 0.005 20 70 BCIDRO CC[C@H](O)CC[NH2+]Cc1cnn(C)c1C ZINC000160167968 388049957 /nfs/dbraw/zinc/04/99/57/388049957.db2.gz ZEZBGUHAPDFNKS-NSHDSACASA-N 1 0 211.309 0.979 20 70 BCIDRO CC[C@@H](COC)[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000160542389 133508546 /nfs/dbraw/zinc/50/85/46/133508546.db2.gz ABFBLLHIHDPSAC-QWRGUYRKSA-N 1 0 238.335 0.916 20 70 BCIDRO C[C@H]([NH3+])C(=O)NCc1cccc(-c2nc[nH]n2)c1 ZINC000160836938 133510181 /nfs/dbraw/zinc/51/01/81/133510181.db2.gz ZUXXKYIYOQGMNP-QMMMGPOBSA-N 1 0 245.286 0.435 20 70 BCIDRO CC[C@H](C)NC(=O)CN1CCC[C@@H]([NH3+])C1 ZINC000217525293 134248585 /nfs/dbraw/zinc/24/85/85/134248585.db2.gz BXFJPPKUFSZGCV-VHSXEESVSA-N 1 0 213.325 0.324 20 70 BCIDRO CCC[C@@H](O)CNC(=O)[C@@H](C[NH3+])C(C)C ZINC000217964805 134250836 /nfs/dbraw/zinc/25/08/36/134250836.db2.gz PWWSPSLDKPHBON-ZJUUUORDSA-N 1 0 216.325 0.495 20 70 BCIDRO CC[C@H]1CCCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000218406683 134254568 /nfs/dbraw/zinc/25/45/68/134254568.db2.gz FSNHPUPFQGYWOA-HBNTYKKESA-N 1 0 226.320 0.358 20 70 BCIDRO CO[C@H](C)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000159972805 134796498 /nfs/dbraw/zinc/79/64/98/134796498.db2.gz VTGBIAZSLQPOMX-MWLCHTKSSA-N 1 0 214.309 0.527 20 70 BCIDRO [NH3+]CCCNC(=O)[C@H]1C[C@H]1c1cccnc1 ZINC000160102487 134799333 /nfs/dbraw/zinc/79/93/33/134799333.db2.gz GKKODPWLXOAINO-QWRGUYRKSA-N 1 0 219.288 0.650 20 70 BCIDRO CC(C)NS(=O)(=O)N(C)CC(C)(C)C[NH3+] ZINC000160921616 167123943 /nfs/dbraw/zinc/12/39/43/167123943.db2.gz KXINPHPGKKPZEB-UHFFFAOYSA-N 1 0 237.369 0.146 20 70 BCIDRO CC(C)OCC(=O)NCC1=CC[NH2+]CC1 ZINC000160514433 167185399 /nfs/dbraw/zinc/18/53/99/167185399.db2.gz QXHZHIUXKZRFFJ-UHFFFAOYSA-N 1 0 212.293 0.447 20 70 BCIDRO CC1(NC(=O)c2ccon2)CC[NH2+]CC1 ZINC000160572842 168062490 /nfs/dbraw/zinc/06/24/90/168062490.db2.gz JGMLROIWHAFNOM-UHFFFAOYSA-N 1 0 209.249 0.547 20 70 BCIDRO CCN(C)C(=O)C[NH2+][C@@H]1CS[C@H](C)C1 ZINC000217354181 411378370 /nfs/dbraw/zinc/37/83/70/411378370.db2.gz PZBQAJHJCVEGAG-BDAKNGLRSA-N 1 0 216.350 0.948 20 70 BCIDRO CN(CCC1CCOCC1)C(=O)C(C)(C)[NH3+] ZINC000161402238 411438557 /nfs/dbraw/zinc/43/85/57/411438557.db2.gz BDGWUGMLQPJKAH-UHFFFAOYSA-N 1 0 228.336 0.999 20 70 BCIDRO [NH3+]C[C@H]1CN(C[C@@H]2CCCCO2)CCO1 ZINC000217737949 411529932 /nfs/dbraw/zinc/52/99/32/411529932.db2.gz FDRYTLVDMZNRCX-QWRGUYRKSA-N 1 0 214.309 0.215 20 70 BCIDRO CCOC(=O)[C@@H](C)CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000160802262 170245025 /nfs/dbraw/zinc/24/50/25/170245025.db2.gz IXJQXHAPGLXDCV-UWVGGRQHSA-N 1 0 242.319 0.301 20 70 BCIDRO CCOC(=O)[C@@H]1CC[C@H](NC(=O)C[NH+](C)C)C1 ZINC000160584933 170259517 /nfs/dbraw/zinc/25/95/17/170259517.db2.gz DHAJQLKFDQXYMJ-ZJUUUORDSA-N 1 0 242.319 0.396 20 70 BCIDRO CCOC(=O)[C@H](C)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000160801902 170264113 /nfs/dbraw/zinc/26/41/13/170264113.db2.gz DNEZDMCGLLZRQR-BDAKNGLRSA-N 1 0 228.292 0.054 20 70 BCIDRO CCOCCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160687945 170359056 /nfs/dbraw/zinc/35/90/56/170359056.db2.gz KWKYNRCPLKJRBI-PHIMTYICSA-N 1 0 226.320 0.766 20 70 BCIDRO CCC[C@H](O)C[NH2+]C[C@@H](O)COC(C)C ZINC000217916551 411577344 /nfs/dbraw/zinc/57/73/44/411577344.db2.gz WENKGFPCGYKIAS-WDEREUQCSA-N 1 0 219.325 0.523 20 70 BCIDRO CCC[C@H](O)C[NH2+]C[C@H](O)COC(C)C ZINC000217916699 411577533 /nfs/dbraw/zinc/57/75/33/411577533.db2.gz WENKGFPCGYKIAS-QWRGUYRKSA-N 1 0 219.325 0.523 20 70 BCIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCOCCOC ZINC000161348025 173367693 /nfs/dbraw/zinc/36/76/93/173367693.db2.gz AIOMNRSJNVVVPW-NSHDSACASA-N 1 0 244.335 0.250 20 70 BCIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cncnc1C ZINC000161263711 173369102 /nfs/dbraw/zinc/36/91/02/173369102.db2.gz IFOACKNWTGYMQH-JTQLQIEISA-N 1 0 234.303 0.609 20 70 BCIDRO CCOC(=O)C[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC000159558032 323036735 /nfs/dbraw/zinc/03/67/35/323036735.db2.gz LZMVSKCDAUWJJH-NXEZZACHSA-N 1 0 244.335 0.785 20 70 BCIDRO CC[C@@H](C)[C@@H](O)CNC(=O)CC[NH2+]C(C)C ZINC000159817819 323049336 /nfs/dbraw/zinc/04/93/36/323049336.db2.gz DPEYZPUUKCUSOQ-MNOVXSKESA-N 1 0 230.352 0.898 20 70 BCIDRO C[C@@H]1C[N@H+](CC2(O)CCOCC2)CCS1 ZINC000159844117 323050642 /nfs/dbraw/zinc/05/06/42/323050642.db2.gz KHAWPENZOKLUAY-SNVBAGLBSA-N 1 0 231.361 0.965 20 70 BCIDRO CCOC(=O)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC000160833173 323136457 /nfs/dbraw/zinc/13/64/57/323136457.db2.gz JTXAYQOQZZYQAF-JTQLQIEISA-N 1 0 244.335 0.786 20 70 BCIDRO CC[N@H+](CC(=O)N[C@H](CO)CC(C)C)C1CC1 ZINC000160843898 323136589 /nfs/dbraw/zinc/13/65/89/323136589.db2.gz AVFKHEWGJFGIOJ-NSHDSACASA-N 1 0 242.363 0.994 20 70 BCIDRO CC[C@H](C(=O)N[C@@H](CO)CC(C)C)[NH+](C)C ZINC000160887056 323137623 /nfs/dbraw/zinc/13/76/23/323137623.db2.gz IPFNOAPAWPXEJJ-GHMZBOCLSA-N 1 0 230.352 0.850 20 70 BCIDRO C[NH+](C)CCCNC(=O)[C@H]1CCCCO1 ZINC000160972532 323141066 /nfs/dbraw/zinc/14/10/66/323141066.db2.gz MTFUHSFFHNTJFR-SNVBAGLBSA-N 1 0 214.309 0.623 20 70 BCIDRO Cc1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)n(C)n1 ZINC000161316498 487490948 /nfs/dbraw/zinc/49/09/48/487490948.db2.gz RNKSNXDMTLXMGZ-VHSXEESVSA-N 1 0 236.319 0.728 20 70 BCIDRO Cc1cc(=O)[nH]cc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161461623 487498784 /nfs/dbraw/zinc/49/87/84/487498784.db2.gz LCOVAJIASIEHPU-VHSXEESVSA-N 1 0 249.314 0.683 20 70 BCIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC000160988051 491132863 /nfs/dbraw/zinc/13/28/63/491132863.db2.gz XNWJEIABCDMLIJ-BBBLOLIVSA-N 1 0 212.293 0.409 20 70 BCIDRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H]1CCOC1 ZINC000161501975 535641400 /nfs/dbraw/zinc/64/14/00/535641400.db2.gz DTVWRISCLPDHDQ-NXEZZACHSA-N 1 0 235.349 0.436 20 70 BCIDRO COC(=O)[C@H]1CCCCN1C(=O)C[NH+](C)C ZINC000218032296 536767287 /nfs/dbraw/zinc/76/72/87/536767287.db2.gz ZOKDLBCSZJCBHS-SECBINFHSA-N 1 0 228.292 0.102 20 70 BCIDRO C[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCOC2)C1 ZINC000159423276 566450521 /nfs/dbraw/zinc/45/05/21/566450521.db2.gz XUJAUOLDRHSZOW-NXEZZACHSA-N 1 0 227.308 0.169 20 70 BCIDRO CCC[N@H+](CCO)CCCCS(C)(=O)=O ZINC000161442387 538915565 /nfs/dbraw/zinc/91/55/65/538915565.db2.gz YKODTBDGTLPKPD-UHFFFAOYSA-N 1 0 237.365 0.516 20 70 BCIDRO CC(C)C[C@@H](CNC(N)=[NH2+])N1CCOCC1 ZINC000161468822 349456614 /nfs/dbraw/zinc/45/66/14/349456614.db2.gz GCIQXTXCYNEHDE-JTQLQIEISA-N 1 0 228.340 0.216 20 70 BCIDRO CCC(CC)(C[NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000161160752 168322054 /nfs/dbraw/zinc/32/20/54/168322054.db2.gz NMQPNIIHYQFBHG-JTQLQIEISA-N 1 0 227.352 0.572 20 70 BCIDRO COCCN(C)CC[NH2+][C@@H](C)C1CCOCC1 ZINC000159430948 136214272 /nfs/dbraw/zinc/21/42/72/136214272.db2.gz POAIHPXGYVVXLV-LBPRGKRZSA-N 1 0 244.379 0.969 20 70 BCIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccon2)C1 ZINC000161164052 398167658 /nfs/dbraw/zinc/16/76/58/398167658.db2.gz MJQPXDXWLCPSDX-HTQZYQBOSA-N 1 0 209.249 0.674 20 70 BCIDRO CCC([NH3+])(CC)CNC(=O)CCOCCOC ZINC000160536729 168416228 /nfs/dbraw/zinc/41/62/28/168416228.db2.gz GLMNMWDDQFUZEN-UHFFFAOYSA-N 1 0 246.351 0.673 20 70 BCIDRO CCOC[C@H](O)C[NH2+][C@@H]1CCCSC1 ZINC000161271312 136273811 /nfs/dbraw/zinc/27/38/11/136273811.db2.gz AJEAVUNBJPWJSV-NXEZZACHSA-N 1 0 219.350 0.869 20 70 BCIDRO CSCCN(C)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000160014421 343202979 /nfs/dbraw/zinc/20/29/79/343202979.db2.gz DUZDLFSVFHISNE-RKDXNWHRSA-N 1 0 216.350 0.935 20 70 BCIDRO C[C@@H](O)CN(C)[C@@H](C)C(=O)Nc1ncccn1 ZINC000159405236 345431969 /nfs/dbraw/zinc/43/19/69/345431969.db2.gz ORXPJGRJGYIWJW-BDAKNGLRSA-N 1 0 238.291 0.116 20 70 BCIDRO C[C@H]([NH3+])C(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000159502881 345440416 /nfs/dbraw/zinc/44/04/16/345440416.db2.gz HVVBUWFOXAJGTR-ZETCQYMHSA-N 1 0 231.259 0.757 20 70 BCIDRO CCc1ncc(C(=O)NCCC[NH3+])s1 ZINC000160081213 345481885 /nfs/dbraw/zinc/48/18/85/345481885.db2.gz URCROQNULHDMNM-UHFFFAOYSA-N 1 0 213.306 0.784 20 70 BCIDRO CC[NH+]1CCC(NC(=O)c2cc[nH]c(=O)c2)CC1 ZINC000159584011 346426000 /nfs/dbraw/zinc/42/60/00/346426000.db2.gz DXYIENQORWOWGT-UHFFFAOYSA-N 1 0 249.314 0.589 20 70 BCIDRO CC[C@@H](C(=O)N[C@H]1CCC[C@@H]1O)[NH+](C)C ZINC000161120594 346476183 /nfs/dbraw/zinc/47/61/83/346476183.db2.gz IFKWQXAPGUWZKC-GUBZILKMSA-N 1 0 214.309 0.356 20 70 BCIDRO CC(C)CNC(=[NH2+])NCc1ncn(C)n1 ZINC000218733959 347377834 /nfs/dbraw/zinc/37/78/34/347377834.db2.gz LDGJDNHYOMUGAD-UHFFFAOYSA-N 1 0 210.285 0.085 20 70 BCIDRO CCC[N@@H+]1CCCN(C(=O)[C@H]2CCOC2)CC1 ZINC000160376826 347824539 /nfs/dbraw/zinc/82/45/39/347824539.db2.gz BKHQJLPFSPZCRU-LBPRGKRZSA-N 1 0 240.347 0.967 20 70 BCIDRO O=C(Cc1cccnc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160399773 347985214 /nfs/dbraw/zinc/98/52/14/347985214.db2.gz ZDKQBWNHXJOLFK-BETUJISGSA-N 1 0 245.326 0.977 20 70 BCIDRO O=C(NCC1CC[NH+](CCO)CC1)C1CCC1 ZINC000160686946 349302988 /nfs/dbraw/zinc/30/29/88/349302988.db2.gz IREBLDXZOPDDNM-UHFFFAOYSA-N 1 0 240.347 0.607 20 70 BCIDRO [NH3+]CC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000161019492 349363038 /nfs/dbraw/zinc/36/30/38/349363038.db2.gz HEXIETGMHLLYPG-HZGVNTEJSA-N 1 0 226.226 0.896 20 70 BCIDRO C[C@H](C(N)=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000217370307 363126557 /nfs/dbraw/zinc/12/65/57/363126557.db2.gz ZOJRUCLUPCZLBD-NXEZZACHSA-N 1 0 211.309 0.030 20 70 BCIDRO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1)C(N)=O ZINC000159653841 538108604 /nfs/dbraw/zinc/10/86/04/538108604.db2.gz SGKHSQGYJUVNLD-ZCFIWIBFSA-N 1 0 214.215 0.928 20 70 BCIDRO CCn1ccnc1CN(CCOC)CCOC ZINC000160708709 357185041 /nfs/dbraw/zinc/18/50/41/357185041.db2.gz ABUCKOOQQTUYIE-UHFFFAOYSA-N 1 0 241.335 0.998 20 70 BCIDRO CCCS(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000218060059 134251597 /nfs/dbraw/zinc/25/15/97/134251597.db2.gz FZWXPSWBHXFUIQ-QWRGUYRKSA-N 1 0 246.376 0.943 20 70 BCIDRO CC[N@H+](CCNC(=O)CCC(C)=O)C1CC1 ZINC000217915723 134250858 /nfs/dbraw/zinc/25/08/58/134250858.db2.gz BPPXWINVEZTVBP-UHFFFAOYSA-N 1 0 226.320 0.956 20 70 BCIDRO Cc1noc(CN2CC[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000218609818 134256499 /nfs/dbraw/zinc/25/64/99/134256499.db2.gz UYYRFRXREPVRIA-CBAPKCEASA-N 1 0 210.281 0.547 20 70 BCIDRO CN(CC[NH+]1CCCC1)Cc1cnn(C)c1 ZINC000161057770 200699404 /nfs/dbraw/zinc/69/94/04/200699404.db2.gz SSRJMMNTADQCNW-UHFFFAOYSA-N 1 0 222.336 0.948 20 70 BCIDRO COC(=O)CC[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC000159385972 361232306 /nfs/dbraw/zinc/23/23/06/361232306.db2.gz ZVZJUUWCVXCTMY-ZJUUUORDSA-N 1 0 215.293 0.785 20 70 BCIDRO COC(=O)CC[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000159385871 361232832 /nfs/dbraw/zinc/23/28/32/361232832.db2.gz ZVZJUUWCVXCTMY-UWVGGRQHSA-N 1 0 215.293 0.785 20 70 BCIDRO COCCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159785515 361289685 /nfs/dbraw/zinc/28/96/85/361289685.db2.gz URZUSGORDRAWHS-AOOOYVTPSA-N 1 0 212.293 0.376 20 70 BCIDRO C[C@@H](O)CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000159564180 361255486 /nfs/dbraw/zinc/25/54/86/361255486.db2.gz OGUROWWFYZHMRN-KOLCDFICSA-N 1 0 214.309 0.406 20 70 BCIDRO CN(C)C(=O)CN(C)CC[NH+]1CCCC1 ZINC000161258870 541356859 /nfs/dbraw/zinc/35/68/59/541356859.db2.gz FSWLRHKOQPLPBB-UHFFFAOYSA-N 1 0 213.325 0.102 20 70 BCIDRO [NH3+]CCC(=O)NC[C@@H](O)c1ccsc1 ZINC000161499119 181367942 /nfs/dbraw/zinc/36/79/42/181367942.db2.gz ZGVDPAWGTQBIDF-MRVPVSSYSA-N 1 0 214.290 0.247 20 70 BCIDRO [NH3+]CCCNC(=O)c1cc2c(s1)CCOC2 ZINC000160128061 181382274 /nfs/dbraw/zinc/38/22/74/181382274.db2.gz CFIXWLSOTUVRNT-UHFFFAOYSA-N 1 0 240.328 0.899 20 70 BCIDRO CSC[C@](C)(O)C[NH2+]Cc1cncnc1 ZINC000217849430 372018964 /nfs/dbraw/zinc/01/89/64/372018964.db2.gz GYXZZOGJAGSTBW-SNVBAGLBSA-N 1 0 227.333 0.680 20 70 BCIDRO O=C(NCC1=CC[NH2+]CC1)c1ccc[nH]1 ZINC000160513308 182135540 /nfs/dbraw/zinc/13/55/40/182135540.db2.gz OZYWARHBWNFDPD-UHFFFAOYSA-N 1 0 205.261 0.664 20 70 BCIDRO O=C(NCC1=CC[NH2+]CC1)c1ccon1 ZINC000160512620 182135828 /nfs/dbraw/zinc/13/58/28/182135828.db2.gz ZBYBASYIOHBSDH-UHFFFAOYSA-N 1 0 207.233 0.324 20 70 BCIDRO CCCSCC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000160595522 169336020 /nfs/dbraw/zinc/33/60/20/169336020.db2.gz AKCLEXHRNVMZPL-SECBINFHSA-N 1 0 216.350 0.950 20 70 BCIDRO C[N@H+](Cc1ccc(CO)o1)[C@H]1CCOC1 ZINC000161168063 384866949 /nfs/dbraw/zinc/86/69/49/384866949.db2.gz MSOSWTKHZQUJQT-VIFPVBQESA-N 1 0 211.261 0.993 20 70 BCIDRO CCO[C@H](C)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000161343376 384978903 /nfs/dbraw/zinc/97/89/03/384978903.db2.gz NHSGDOOBGKWKLF-ZJUUUORDSA-N 1 0 214.309 0.622 20 70 BCIDRO CCOCCO[C@@H](C)C(=O)N1CCC[NH2+]CC1 ZINC000160855545 386358925 /nfs/dbraw/zinc/35/89/25/386358925.db2.gz HTBZNDMOZLXBOY-NSHDSACASA-N 1 0 244.335 0.250 20 70 BCIDRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)C1CC1 ZINC000161236722 386738261 /nfs/dbraw/zinc/73/82/61/386738261.db2.gz AZMABYUJIUARNJ-JTQLQIEISA-N 1 0 234.365 0.784 20 70 BCIDRO [NH3+]CCC(=O)NCc1ccccc1OCCO ZINC000161249205 387168276 /nfs/dbraw/zinc/16/82/76/387168276.db2.gz HVPIFIXVRZEYLG-UHFFFAOYSA-N 1 0 238.287 0.023 20 70 BCIDRO [NH3+]C[C@@H]1CN(C(=O)c2ccsc2)CCO1 ZINC000159511011 388018089 /nfs/dbraw/zinc/01/80/89/388018089.db2.gz ZSRDJXPVGJBZDL-SECBINFHSA-N 1 0 226.301 0.548 20 70 BCIDRO CC[C@H]([NH3+])C(=O)N[C@H](CCO)C(C)C ZINC000159600187 388022804 /nfs/dbraw/zinc/02/28/04/388022804.db2.gz BGZSUJIFDZUBGZ-DTWKUNHWSA-N 1 0 202.298 0.247 20 70 BCIDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc[nH]1 ZINC000160536457 388073164 /nfs/dbraw/zinc/07/31/64/388073164.db2.gz XQGJNTAUWVMURG-IUCAKERBSA-N 1 0 207.277 0.885 20 70 BCIDRO O=C(C[NH2+][C@H]1CCSC1)NCC(F)(F)F ZINC000160529440 388073573 /nfs/dbraw/zinc/07/35/73/388073573.db2.gz NTOZUNXKPLXFDI-LURJTMIESA-N 1 0 242.266 0.760 20 70 BCIDRO CCC[C@H]([NH3+])C(=O)NCC[C@H](O)C(C)C ZINC000160897962 388099039 /nfs/dbraw/zinc/09/90/39/388099039.db2.gz BKCZWLNGWILIAE-UWVGGRQHSA-N 1 0 216.325 0.637 20 70 BCIDRO CSCCCC(=O)NCC(C)(C)[NH3+] ZINC000160119579 388046528 /nfs/dbraw/zinc/04/65/28/388046528.db2.gz URSYGENYSRRWQA-UHFFFAOYSA-N 1 0 204.339 0.983 20 70 BCIDRO CC[C@@H](CCO)[NH2+]Cc1cn(C)nc1C ZINC000160154920 388047747 /nfs/dbraw/zinc/04/77/47/388047747.db2.gz QAKSAFRWQUGXDV-NSHDSACASA-N 1 0 211.309 0.979 20 70 BCIDRO CN(CC(=O)NCCC[NH3+])Cc1ccccc1 ZINC000160173257 388050524 /nfs/dbraw/zinc/05/05/24/388050524.db2.gz AFKDKXZWCMEKRM-UHFFFAOYSA-N 1 0 235.331 0.583 20 70 BCIDRO CSCC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000159962167 134795377 /nfs/dbraw/zinc/79/53/77/134795377.db2.gz IGDIRQWPDXDRTN-SNVBAGLBSA-N 1 0 216.350 0.855 20 70 BCIDRO CC[C@@H](CCO)[NH2+][C@H]1CCCNC(=O)C1 ZINC000217801823 411195677 /nfs/dbraw/zinc/19/56/77/411195677.db2.gz KRYPNADGEKJRGJ-UWVGGRQHSA-N 1 0 214.309 0.406 20 70 BCIDRO CCN(C)C(=O)C[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000217354015 411378880 /nfs/dbraw/zinc/37/88/80/411378880.db2.gz PZBQAJHJCVEGAG-IUCAKERBSA-N 1 0 216.350 0.948 20 70 BCIDRO CC[C@H](CCO)[NH2+]Cc1ncnn1CC ZINC000217800091 411547971 /nfs/dbraw/zinc/54/79/71/411547971.db2.gz HMFBMRMGZJFAKB-SECBINFHSA-N 1 0 212.297 0.549 20 70 BCIDRO CCOC(=O)[C@@H](C)CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000160802027 170245638 /nfs/dbraw/zinc/24/56/38/170245638.db2.gz IXJQXHAPGLXDCV-VHSXEESVSA-N 1 0 242.319 0.301 20 70 BCIDRO CCC[C@@H](O)C[NH2+]C[C@@H](O)COC(C)C ZINC000217916512 411577263 /nfs/dbraw/zinc/57/72/63/411577263.db2.gz WENKGFPCGYKIAS-GHMZBOCLSA-N 1 0 219.325 0.523 20 70 BCIDRO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccnn1C ZINC000160903921 171372601 /nfs/dbraw/zinc/37/26/01/171372601.db2.gz ZVZVOULXRMBRKP-IONNQARKSA-N 1 0 210.281 0.732 20 70 BCIDRO C[NH2+]C[C@@H]1CCCN1C(=O)/C=C/c1ccnn1C ZINC000161341425 173367924 /nfs/dbraw/zinc/36/79/24/173367924.db2.gz VIPZFXIFTDBTKX-FYJFLYSWSA-N 1 0 248.330 0.644 20 70 BCIDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1cc[nH]n1 ZINC000161233438 173369027 /nfs/dbraw/zinc/36/90/27/173369027.db2.gz IFOQSNZRVGMOTC-JTQLQIEISA-N 1 0 222.292 0.163 20 70 BCIDRO C[C@H](O)C[C@H](C)CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000160570499 176999413 /nfs/dbraw/zinc/99/94/13/176999413.db2.gz PYEJAIWKARGOHI-LPEHRKFASA-N 1 0 230.352 0.883 20 70 BCIDRO C[C@H](Oc1cccnc1)C(=O)NCC(C)(C)[NH3+] ZINC000160073495 177025378 /nfs/dbraw/zinc/02/53/78/177025378.db2.gz RINPAMKSEPEMDJ-VIFPVBQESA-N 1 0 237.303 0.702 20 70 BCIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccnn1C ZINC000159644216 323041802 /nfs/dbraw/zinc/04/18/02/323041802.db2.gz PKMQMUVHPQIHJO-UWVGGRQHSA-N 1 0 236.319 0.506 20 70 BCIDRO CC[C@H](C)[C@@H](O)CNC(=O)[C@H]([NH3+])CCSC ZINC000159820153 323049420 /nfs/dbraw/zinc/04/94/20/323049420.db2.gz ZJCKRIDUGOEVPG-AEJSXWLSSA-N 1 0 248.392 0.590 20 70 BCIDRO CSCCN(C)C(=O)CC[C@H](C)[NH3+] ZINC000160001777 323057457 /nfs/dbraw/zinc/05/74/57/323057457.db2.gz VAAJFIXPXQAVMF-QMMMGPOBSA-N 1 0 204.339 0.935 20 70 BCIDRO CSCCN(C)C(=O)CC[C@@H](C)[NH3+] ZINC000160001907 323057518 /nfs/dbraw/zinc/05/75/18/323057518.db2.gz VAAJFIXPXQAVMF-MRVPVSSYSA-N 1 0 204.339 0.935 20 70 BCIDRO COCC[NH2+]CC(=O)N(C)CCSC ZINC000160014648 323075323 /nfs/dbraw/zinc/07/53/23/323075323.db2.gz NWSWCDATBKSQQH-UHFFFAOYSA-N 1 0 220.338 0.044 20 70 BCIDRO CC[C@H]([NH3+])C(=O)N(C)CCC1CCOCC1 ZINC000161403345 323075954 /nfs/dbraw/zinc/07/59/54/323075954.db2.gz RBRJHVKELAMZLQ-NSHDSACASA-N 1 0 228.336 0.999 20 70 BCIDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(CO)o1 ZINC000160800113 323135845 /nfs/dbraw/zinc/13/58/45/323135845.db2.gz RUROXUKLWLMXJH-SSDOTTSWSA-N 1 0 212.249 0.125 20 70 BCIDRO CCOC(=O)[C@@H](C)CNC(=O)[C@H]([NH3+])C(C)C ZINC000160802602 323136073 /nfs/dbraw/zinc/13/60/73/323136073.db2.gz NXQXIYPTGYAXRZ-DTWKUNHWSA-N 1 0 230.308 0.285 20 70 BCIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cnccn2)C1 ZINC000161235377 487486314 /nfs/dbraw/zinc/48/63/14/487486314.db2.gz PRWFLCFYEZBFGR-DTWKUNHWSA-N 1 0 220.276 0.476 20 70 BCIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCn2cccn2)C1 ZINC000161436993 487497503 /nfs/dbraw/zinc/49/75/03/487497503.db2.gz MHYPHLCIPPLHJG-QWRGUYRKSA-N 1 0 236.319 0.659 20 70 BCIDRO C[NH2+][C@H]1CCN(C(=O)[C@H](C)OCC2CC2)C1 ZINC000160619212 488149606 /nfs/dbraw/zinc/14/96/06/488149606.db2.gz WTIZQIUUINTSER-ONGXEEELSA-N 1 0 226.320 0.622 20 70 BCIDRO NC(=O)c1ccc(CCN2CC[NH2+]CC2)cc1 ZINC000216804076 592083108 /nfs/dbraw/zinc/08/31/08/592083108.db2.gz FYFMHVXFLJHKTB-UHFFFAOYSA-N 1 0 233.315 0.233 20 70 BCIDRO CC[C@@H](CCO)[NH2+]CCS(=O)(=O)CC ZINC000217815203 592149505 /nfs/dbraw/zinc/14/95/05/592149505.db2.gz IMOSWTJKXBDGIQ-VIFPVBQESA-N 1 0 223.338 0.172 20 70 BCIDRO CCC[C@@H](O)C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000217862365 592149981 /nfs/dbraw/zinc/14/99/81/592149981.db2.gz VEOYLGXYXLVVCA-NXEZZACHSA-N 1 0 214.309 0.406 20 70 BCIDRO C[C@@H](C[NH2+]CCS(C)(=O)=O)N(C)C1CC1 ZINC000218564076 592164182 /nfs/dbraw/zinc/16/41/82/592164182.db2.gz UIKKWLIXCVTWAX-VIFPVBQESA-N 1 0 234.365 0.103 20 70 BCIDRO C[C@H](CO)CSc1nc(N)cc(N)[nH+]1 ZINC000160821066 538912997 /nfs/dbraw/zinc/91/29/97/538912997.db2.gz MMBNBNJXSZJBMK-RXMQYKEDSA-N 1 0 214.294 0.362 20 70 BCIDRO CCC([NH3+])(CC)CNC(=O)[C@H](C)OC ZINC000160942558 168417555 /nfs/dbraw/zinc/41/75/55/168417555.db2.gz XSVYSFFLURJAQX-QMMMGPOBSA-N 1 0 202.298 0.655 20 70 BCIDRO CSCCN(C)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000160014552 343203146 /nfs/dbraw/zinc/20/31/46/343203146.db2.gz DUZDLFSVFHISNE-DTWKUNHWSA-N 1 0 216.350 0.935 20 70 BCIDRO CC(C)OC(=O)CCCNC(=O)C[NH+](C)C ZINC000159376344 345428948 /nfs/dbraw/zinc/42/89/48/345428948.db2.gz KAMPXYPLBLAPKB-UHFFFAOYSA-N 1 0 230.308 0.396 20 70 BCIDRO C[NH+](C)CC(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000159392085 345429890 /nfs/dbraw/zinc/42/98/90/345429890.db2.gz AMJMYGJKMJBYRP-QWRGUYRKSA-N 1 0 226.320 0.622 20 70 BCIDRO CC(C)[NH+]1CCN(C(=O)N[C@@H]2CCOC2)CC1 ZINC000159460664 345437426 /nfs/dbraw/zinc/43/74/26/345437426.db2.gz GZFWKTJPHPKYNS-LLVKDONJSA-N 1 0 241.335 0.511 20 70 BCIDRO NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159658868 345454773 /nfs/dbraw/zinc/45/47/73/345454773.db2.gz SBIZREHVSTXMTN-IUCAKERBSA-N 1 0 225.292 0.446 20 70 BCIDRO CC1(C)[C@H](NC(=O)C2([NH3+])CC2)[C@@H]2CCO[C@@H]21 ZINC000159539450 345441610 /nfs/dbraw/zinc/44/16/10/345441610.db2.gz ICRRUAFBOTXJBB-YIZRAAEISA-N 1 0 224.304 0.407 20 70 BCIDRO CCCC[C@@H](COC)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000159654200 345457976 /nfs/dbraw/zinc/45/79/76/345457976.db2.gz MBWZQFJILJISNT-WDEREUQCSA-N 1 0 244.335 0.296 20 70 BCIDRO NC(=O)[C@H]1CCCN1Cc1cnc2ccccn12 ZINC000159845589 345562956 /nfs/dbraw/zinc/56/29/56/345562956.db2.gz JUMRIQBFLQBERP-LLVKDONJSA-N 1 0 244.298 0.784 20 70 BCIDRO Cc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)n(C)n1 ZINC000217913443 345744387 /nfs/dbraw/zinc/74/43/87/345744387.db2.gz GDNRCYCUZRFTMF-KOLCDFICSA-N 1 0 234.303 0.162 20 70 BCIDRO CC[N@H+](CCCO)Cc1cnc(N)s1 ZINC000161300810 346167914 /nfs/dbraw/zinc/16/79/14/346167914.db2.gz XIGMGPVHTKDNLY-UHFFFAOYSA-N 1 0 215.322 0.930 20 70 BCIDRO CCC[C@@H](O)CNC(=O)[C@H](CC)[NH+](C)C ZINC000160421763 346453178 /nfs/dbraw/zinc/45/31/78/346453178.db2.gz OWYDQPQDRFVCQZ-ZJUUUORDSA-N 1 0 216.325 0.604 20 70 BCIDRO CCC[N@@H+]1CCCN(C(=O)COC)CC1 ZINC000160360440 347638129 /nfs/dbraw/zinc/63/81/29/347638129.db2.gz OFXTXZGZOBNWGF-UHFFFAOYSA-N 1 0 214.309 0.577 20 70 BCIDRO C[C@@H]([NH3+])C(=O)NCc1cccc(-c2nc[nH]n2)c1 ZINC000160837485 349324187 /nfs/dbraw/zinc/32/41/87/349324187.db2.gz ZUXXKYIYOQGMNP-MRVPVSSYSA-N 1 0 245.286 0.435 20 70 BCIDRO CCOCCOCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161484536 490664305 /nfs/dbraw/zinc/66/43/05/490664305.db2.gz SPJJRVIAIOCBBX-GHMZBOCLSA-N 1 0 244.335 0.426 20 70 BCIDRO Cc1ccc(CC(=O)NCCC[NH3+])cn1 ZINC000160124456 191117763 /nfs/dbraw/zinc/11/77/63/191117763.db2.gz XBOCWJALIABVLO-UHFFFAOYSA-N 1 0 207.277 0.398 20 70 BCIDRO Cc1c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cnn1C ZINC000159773450 350998453 /nfs/dbraw/zinc/99/84/53/350998453.db2.gz CUUUDPHLACZLTI-PHIMTYICSA-N 1 0 248.330 0.695 20 70 BCIDRO NC(=O)[C@H]1CC[N@H+](Cc2cnc(N)s2)C1 ZINC000218310133 363129660 /nfs/dbraw/zinc/12/96/60/363129660.db2.gz IXKVOYHYKUWUTB-LURJTMIESA-N 1 0 226.305 0.033 20 70 BCIDRO Cc1nn(C)cc1C[NH2+][C@@H](C)[C@H](C)CO ZINC000160153658 187870940 /nfs/dbraw/zinc/87/09/40/187870940.db2.gz PQROCBTWNQNALV-BDAKNGLRSA-N 1 0 211.309 0.835 20 70 BCIDRO NC(=[NH2+])NCCOc1ncccc1C(F)(F)F ZINC000160393368 181189713 /nfs/dbraw/zinc/18/97/13/181189713.db2.gz XIWLVRGMFSPQSP-UHFFFAOYSA-N 1 0 248.208 0.962 20 70 BCIDRO C[C@@H](C(=O)N[C@H]1c2ccccc2C[C@H]1O)[NH+](C)C ZINC000159895469 538880217 /nfs/dbraw/zinc/88/02/17/538880217.db2.gz QSTYBKZGFSQQGR-BIMULSAOSA-N 1 0 248.326 0.711 20 70 BCIDRO Cc1nccn1CC[N@@H+](C)C(C)(C)CO ZINC000160387668 538884213 /nfs/dbraw/zinc/88/42/13/538884213.db2.gz IYFIMZXTTFBBCP-UHFFFAOYSA-N 1 0 211.309 0.894 20 70 BCIDRO CCN(CC[NH2+][C@@H](C)[C@@H](C)O)C1CC1 ZINC000218329495 357923971 /nfs/dbraw/zinc/92/39/71/357923971.db2.gz LVFMEGDWZMWUJQ-VHSXEESVSA-N 1 0 200.326 0.830 20 70 BCIDRO CCC[C@H](O)C[NH2+]C[C@@H](O)COCC ZINC000217877415 357911807 /nfs/dbraw/zinc/91/18/07/357911807.db2.gz RIUKEFHHNCSFGL-VHSXEESVSA-N 1 0 205.298 0.134 20 70 BCIDRO CCC[C@@H](O)CNC(=O)CC[NH2+]C1CC1 ZINC000217964092 357917567 /nfs/dbraw/zinc/91/75/67/357917567.db2.gz ARMUQYLUKQPJLY-SNVBAGLBSA-N 1 0 214.309 0.406 20 70 BCIDRO O=C1NCCCC[C@H]1[N@@H+]1CCC[C@@H](O)C1 ZINC000217786780 134249761 /nfs/dbraw/zinc/24/97/61/134249761.db2.gz VDHDEFBVMMDBLY-NXEZZACHSA-N 1 0 212.293 0.112 20 70 BCIDRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)CN(C)C ZINC000218770111 134260018 /nfs/dbraw/zinc/26/00/18/134260018.db2.gz CLJNJFTYRZOXQU-GARJFASQSA-N 1 0 202.342 0.933 20 70 BCIDRO Cn1cnnc1CN1CC[NH+](C2CC2)CC1 ZINC000160861219 358976911 /nfs/dbraw/zinc/97/69/11/358976911.db2.gz REHNXOAOCMTSNN-UHFFFAOYSA-N 1 0 221.308 0.095 20 70 BCIDRO COCCC(=O)NCC1([NH3+])CCCCC1 ZINC000159494142 361240517 /nfs/dbraw/zinc/24/05/17/361240517.db2.gz KUNNFPJIDQWNDH-UHFFFAOYSA-N 1 0 214.309 0.801 20 70 BCIDRO CCSCCN1CCO[C@@H](C[NH3+])C1 ZINC000159515323 361245260 /nfs/dbraw/zinc/24/52/60/361245260.db2.gz ZSGSRNOASJUUTM-VIFPVBQESA-N 1 0 204.339 0.399 20 70 BCIDRO C[C@H](O)CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000159564046 361255537 /nfs/dbraw/zinc/25/55/37/361255537.db2.gz OGUROWWFYZHMRN-ONGXEEELSA-N 1 0 214.309 0.406 20 70 BCIDRO CN(C)C(=O)CC[N@@H+]1CCC[C@](C)(O)C1 ZINC000160998715 361335461 /nfs/dbraw/zinc/33/54/61/361335461.db2.gz LDOVEGGQYITQCR-NSHDSACASA-N 1 0 214.309 0.312 20 70 BCIDRO [NH3+]C1(CNC(=O)c2cnns2)CCCCC1 ZINC000159625002 181330576 /nfs/dbraw/zinc/33/05/76/181330576.db2.gz XOQPJXQMDXTHLL-UHFFFAOYSA-N 1 0 240.332 0.930 20 70 BCIDRO O=C(NCC1CC[NH+](CCO)CC1)C1CC1 ZINC000160580305 182147301 /nfs/dbraw/zinc/14/73/01/182147301.db2.gz BKIVGCPVVNOPHH-UHFFFAOYSA-N 1 0 226.320 0.217 20 70 BCIDRO O=C(NCC[C@H](O)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000160853047 182200329 /nfs/dbraw/zinc/20/03/29/182200329.db2.gz QECSAXJVGCQFJI-OLZOCXBDSA-N 1 0 248.326 0.836 20 70 BCIDRO CCCOCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160837084 169306974 /nfs/dbraw/zinc/30/69/74/169306974.db2.gz DCDQLNDTAHFWRB-VHSXEESVSA-N 1 0 214.309 0.799 20 70 BCIDRO CCOC(=O)[C@@H](CC)N1CC[NH2+][C@@H](C)C1 ZINC000159579769 535458781 /nfs/dbraw/zinc/45/87/81/535458781.db2.gz LOUMGFBAXMMCPJ-VHSXEESVSA-N 1 0 214.309 0.622 20 70 BCIDRO Cn1nnc2ccc(C(=O)NCC[NH+](C)C)cc21 ZINC000159672798 384348801 /nfs/dbraw/zinc/34/88/01/384348801.db2.gz MXYZZHULQMDTJN-UHFFFAOYSA-N 1 0 247.302 0.260 20 70 BCIDRO NC(=O)CN1CC[NH+](CCC2CCCC2)CC1 ZINC000159696678 384351574 /nfs/dbraw/zinc/35/15/74/384351574.db2.gz FSRFALGMXJRSFG-UHFFFAOYSA-N 1 0 239.363 0.670 20 70 BCIDRO CC[C@H](O)C[NH2+][C@H](C)CS(=O)(=O)CC ZINC000217327686 384478683 /nfs/dbraw/zinc/47/86/83/384478683.db2.gz YSZZCSLAEUDVKX-BDAKNGLRSA-N 1 0 223.338 0.170 20 70 BCIDRO CCOCCO[C@H](C)C(=O)N1CCC[NH2+]CC1 ZINC000160855668 386358571 /nfs/dbraw/zinc/35/85/71/386358571.db2.gz HTBZNDMOZLXBOY-LLVKDONJSA-N 1 0 244.335 0.250 20 70 BCIDRO CC(C)(C)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160673472 387112347 /nfs/dbraw/zinc/11/23/47/387112347.db2.gz DRPPCAVHAUQFEN-UHFFFAOYSA-N 1 0 242.363 0.853 20 70 BCIDRO C[C@H](C(=O)N(C)C)N1CCC[C@@H]([NH+](C)C)C1 ZINC000217146636 387252422 /nfs/dbraw/zinc/25/24/22/387252422.db2.gz FKJJRDLOUSEZJL-GHMZBOCLSA-N 1 0 227.352 0.489 20 70 BCIDRO CCC([NH3+])(CC)CNC(=O)[C@@H](C)NC(C)=O ZINC000160446735 388066639 /nfs/dbraw/zinc/06/66/39/388066639.db2.gz WOJNOXROEGPFRC-MRVPVSSYSA-N 1 0 229.324 0.145 20 70 BCIDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccon1 ZINC000160535649 388072912 /nfs/dbraw/zinc/07/29/12/388072912.db2.gz CEEITNOTOWDMFU-JGVFFNPUSA-N 1 0 209.249 0.545 20 70 BCIDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc[nH]1 ZINC000160536221 388073720 /nfs/dbraw/zinc/07/37/20/388073720.db2.gz XQGJNTAUWVMURG-DTWKUNHWSA-N 1 0 207.277 0.885 20 70 BCIDRO C[C@@H](O)C[C@@H](C)CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000160570383 388075337 /nfs/dbraw/zinc/07/53/37/388075337.db2.gz PYEJAIWKARGOHI-OPRDCNLKSA-N 1 0 230.352 0.883 20 70 BCIDRO CO[C@H](C)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000160937582 388104397 /nfs/dbraw/zinc/10/43/97/388104397.db2.gz OJQWBXYQKRYIEX-IVZWLZJFSA-N 1 0 214.309 0.607 20 70 BCIDRO C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCCO1 ZINC000160137766 388047458 /nfs/dbraw/zinc/04/74/58/388047458.db2.gz PYZZSWLNDRDQFT-UWVGGRQHSA-N 1 0 214.309 0.527 20 70 BCIDRO CC[C@H](CCO)[NH2+]Cc1cnn(C)c1C ZINC000160155591 388048535 /nfs/dbraw/zinc/04/85/35/388048535.db2.gz QFWYZQLAXBMEQK-LLVKDONJSA-N 1 0 211.309 0.979 20 70 BCIDRO Cc1c(C[NH2+][C@@H](C)[C@H](C)CO)cnn1C ZINC000160154653 388048605 /nfs/dbraw/zinc/04/86/05/388048605.db2.gz BBHMAZVJHWCFIC-BDAKNGLRSA-N 1 0 211.309 0.835 20 70 BCIDRO COCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000217724339 134250391 /nfs/dbraw/zinc/25/03/91/134250391.db2.gz MPKMBVMKKAVXCV-ZJUUUORDSA-N 1 0 212.293 0.328 20 70 BCIDRO CC(=O)CCC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000217916626 134251109 /nfs/dbraw/zinc/25/11/09/134251109.db2.gz PYDVCKOMCUNACY-VIFPVBQESA-N 1 0 226.320 0.955 20 70 BCIDRO COC(=O)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000159621528 134784247 /nfs/dbraw/zinc/78/42/47/134784247.db2.gz QYXPHKLJXACJBB-LLVKDONJSA-N 1 0 244.335 0.642 20 70 BCIDRO CC[C@H]([NH3+])C(=O)N[C@@H](C)c1cnn(C)c1 ZINC000159583025 397948326 /nfs/dbraw/zinc/94/83/26/397948326.db2.gz MIZPEEGQGPUMSR-CBAPKCEASA-N 1 0 210.281 0.335 20 70 BCIDRO CC[C@H](O)CC[NH2+][C@H]1CCCNC(=O)C1 ZINC000218776531 409670380 /nfs/dbraw/zinc/67/03/80/409670380.db2.gz GOLDVGCKTBHZDW-UWVGGRQHSA-N 1 0 214.309 0.406 20 70 BCIDRO CC(C)[C@@H](C(=O)NCCC[NH3+])N1CCCC1=O ZINC000160145189 167343201 /nfs/dbraw/zinc/34/32/01/167343201.db2.gz LPSHDRNKPSMQAO-NSHDSACASA-N 1 0 241.335 0.098 20 70 BCIDRO CCN(C)C(=O)C[NH2+][C@H]1CS[C@@H](C)C1 ZINC000217354099 411378920 /nfs/dbraw/zinc/37/89/20/411378920.db2.gz PZBQAJHJCVEGAG-DTWKUNHWSA-N 1 0 216.350 0.948 20 70 BCIDRO CC[C@@H](CCO)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000217801678 411547772 /nfs/dbraw/zinc/54/77/72/411547772.db2.gz KRYPNADGEKJRGJ-VHSXEESVSA-N 1 0 214.309 0.406 20 70 BCIDRO CCOC(=O)[C@@H](C)CNC(=O)C(C)(C)[NH3+] ZINC000160799905 170245331 /nfs/dbraw/zinc/24/53/31/170245331.db2.gz YVNVVHPXJZUEFV-ZETCQYMHSA-N 1 0 216.281 0.039 20 70 BCIDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cn[nH]c1 ZINC000217404022 171307109 /nfs/dbraw/zinc/30/71/09/171307109.db2.gz RDRXSUIVVQZDGI-VIFPVBQESA-N 1 0 224.308 0.870 20 70 BCIDRO Cn1cncc1C[NH2+]C[C@H]1CCCN1C ZINC000218140769 173034537 /nfs/dbraw/zinc/03/45/37/173034537.db2.gz SUIIPSABSFOAQF-SNVBAGLBSA-N 1 0 208.309 0.604 20 70 BCIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H]2CSCCS2)C1 ZINC000160774592 173463789 /nfs/dbraw/zinc/46/37/89/173463789.db2.gz LWEGLMDFENUNFK-IUCAKERBSA-N 1 0 246.401 0.655 20 70 BCIDRO CO[C@H](C)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000160937834 174803463 /nfs/dbraw/zinc/80/34/63/174803463.db2.gz OJQWBXYQKRYIEX-AEJSXWLSSA-N 1 0 214.309 0.607 20 70 BCIDRO C[C@@H](Oc1cccnc1)C(=O)NCC(C)(C)[NH3+] ZINC000160073635 176006072 /nfs/dbraw/zinc/00/60/72/176006072.db2.gz RINPAMKSEPEMDJ-SECBINFHSA-N 1 0 237.303 0.702 20 70 BCIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCOCC1CC1 ZINC000160526781 177182374 /nfs/dbraw/zinc/18/23/74/177182374.db2.gz KSOJZCNKFMUPQD-CMPLNLGQSA-N 1 0 240.347 0.999 20 70 BCIDRO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCn1ccnc1 ZINC000159715954 177255780 /nfs/dbraw/zinc/25/57/80/177255780.db2.gz OJTRLQYECCTDFY-MNOVXSKESA-N 1 0 209.293 0.992 20 70 BCIDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc[nH]1 ZINC000160536072 177396492 /nfs/dbraw/zinc/39/64/92/177396492.db2.gz XQGJNTAUWVMURG-RKDXNWHRSA-N 1 0 207.277 0.885 20 70 BCIDRO CO[C@@H](C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000160923020 487780259 /nfs/dbraw/zinc/78/02/59/487780259.db2.gz SXRPJWZPZXILGD-IUCAKERBSA-N 1 0 200.282 0.280 20 70 BCIDRO CC[C@](C)(O)C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000159562602 323037137 /nfs/dbraw/zinc/03/71/37/323037137.db2.gz TXBVFZJBNPLHIS-QXEWZRGKSA-N 1 0 201.310 0.896 20 70 BCIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccnn1C ZINC000159644480 323041845 /nfs/dbraw/zinc/04/18/45/323041845.db2.gz PKMQMUVHPQIHJO-VHSXEESVSA-N 1 0 236.319 0.506 20 70 BCIDRO CC[NH+](CC)CC(=O)N(CC(N)=O)CC(C)C ZINC000159661066 323042532 /nfs/dbraw/zinc/04/25/32/323042532.db2.gz IBTBNYRUFSDUFF-UHFFFAOYSA-N 1 0 243.351 0.298 20 70 BCIDRO CN(C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)C1CC1 ZINC000159661798 323043303 /nfs/dbraw/zinc/04/33/03/323043303.db2.gz PDJGCEVXEKMSFW-JQWIXIFHSA-N 1 0 240.347 0.700 20 70 BCIDRO CCC(CC)(C[NH2+]CC(=O)N(C)C)C(=O)OC ZINC000159664408 323043399 /nfs/dbraw/zinc/04/33/99/323043399.db2.gz VDHUTOXHDZCXJU-UHFFFAOYSA-N 1 0 244.335 0.644 20 70 BCIDRO CC[C@H](C)[C@@H](O)CNC(=O)CC[NH2+]C(C)C ZINC000159817921 323049257 /nfs/dbraw/zinc/04/92/57/323049257.db2.gz DPEYZPUUKCUSOQ-QWRGUYRKSA-N 1 0 230.352 0.898 20 70 BCIDRO CC[C@H](C)OCC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000160101876 323060745 /nfs/dbraw/zinc/06/07/45/323060745.db2.gz YFYVFVGRAULNOQ-QWRGUYRKSA-N 1 0 228.336 0.869 20 70 BCIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)NC(N)=O ZINC000160595927 323073422 /nfs/dbraw/zinc/07/34/22/323073422.db2.gz LHUMHLVWSPOOPM-BDAKNGLRSA-N 1 0 229.324 0.938 20 70 BCIDRO C[C@H](CNC(=O)c1nnc[nH]1)[NH+]1CCCC1 ZINC000161473032 323076002 /nfs/dbraw/zinc/07/60/02/323076002.db2.gz RNDXTJVRNZFYRJ-MRVPVSSYSA-N 1 0 223.280 0.019 20 70 BCIDRO Cc1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)no1 ZINC000161145470 487480369 /nfs/dbraw/zinc/48/03/69/487480369.db2.gz NSGDOZSXZVOHQG-DTWKUNHWSA-N 1 0 223.276 0.983 20 70 BCIDRO Cn1cc(CC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000161204546 487484963 /nfs/dbraw/zinc/48/49/63/487484963.db2.gz ZIPMSAMDZDHMIO-WDEREUQCSA-N 1 0 236.319 0.349 20 70 BCIDRO Cc1cc(=O)[nH]cc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161461876 487498906 /nfs/dbraw/zinc/49/89/06/487498906.db2.gz LCOVAJIASIEHPU-NXEZZACHSA-N 1 0 249.314 0.683 20 70 BCIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCn2cccn2)C1 ZINC000161436858 487495472 /nfs/dbraw/zinc/49/54/72/487495472.db2.gz MHYPHLCIPPLHJG-WDEREUQCSA-N 1 0 236.319 0.659 20 70 BCIDRO CCOCCOCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161484652 487500333 /nfs/dbraw/zinc/50/03/33/487500333.db2.gz SPJJRVIAIOCBBX-MNOVXSKESA-N 1 0 244.335 0.426 20 70 BCIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](C)OCC2CC2)C1 ZINC000160619469 488149058 /nfs/dbraw/zinc/14/90/58/488149058.db2.gz WTIZQIUUINTSER-GXSJLCMTSA-N 1 0 226.320 0.622 20 70 BCIDRO CCOC(=O)[C@H](C)CNC(=O)CC[NH2+]C(C)C ZINC000160800815 490563982 /nfs/dbraw/zinc/56/39/82/490563982.db2.gz VJGOVNFEPGXQIL-SNVBAGLBSA-N 1 0 244.335 0.690 20 70 BCIDRO O=C([C@H]1CCCc2n[nH]cc21)N1CC[NH2+]CC1 ZINC000159407781 491078558 /nfs/dbraw/zinc/07/85/58/491078558.db2.gz BCYGNPHACXDABU-VIFPVBQESA-N 1 0 234.303 0.261 20 70 BCIDRO O=C([C@@H]1CCCc2n[nH]cc21)N1CC[NH2+]CC1 ZINC000159407925 491078607 /nfs/dbraw/zinc/07/86/07/491078607.db2.gz BCYGNPHACXDABU-SECBINFHSA-N 1 0 234.303 0.261 20 70 BCIDRO C[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCOC2)C1 ZINC000159423118 566450653 /nfs/dbraw/zinc/45/06/53/566450653.db2.gz XUJAUOLDRHSZOW-VHSXEESVSA-N 1 0 227.308 0.169 20 70 BCIDRO C[C@H](CO)C[NH+]1CCC(OCCO)CC1 ZINC000160974940 538913781 /nfs/dbraw/zinc/91/37/81/538913781.db2.gz APPJPTIWGHSDAC-JTQLQIEISA-N 1 0 217.309 0.088 20 70 BCIDRO COCCCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161499055 488188739 /nfs/dbraw/zinc/18/87/39/488188739.db2.gz XKPSVUATJPUFGX-VHSXEESVSA-N 1 0 214.309 0.799 20 70 BCIDRO CCCCN(CCOC)C(=O)[C@@H](C)[NH3+] ZINC000159551217 398342117 /nfs/dbraw/zinc/34/21/17/398342117.db2.gz PGQQARLMTMOVKW-SECBINFHSA-N 1 0 202.298 0.609 20 70 BCIDRO CC[C@@H](O)CCNC(=O)C[NH2+]C1CC1 ZINC000159619207 343202550 /nfs/dbraw/zinc/20/25/50/343202550.db2.gz QCIPDHRLNUIMAN-SECBINFHSA-N 1 0 200.282 0.016 20 70 BCIDRO CO[C@@H](C)C(=O)NCC1CC[NH2+]CC1 ZINC000160919244 343203965 /nfs/dbraw/zinc/20/39/65/343203965.db2.gz MCWSMXYXJBSJLW-QMMMGPOBSA-N 1 0 200.282 0.137 20 70 BCIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc[nH]n1 ZINC000159695741 323044072 /nfs/dbraw/zinc/04/40/72/323044072.db2.gz MHOAMTPSXJNXAD-DTWKUNHWSA-N 1 0 222.292 0.496 20 70 BCIDRO O=C(CCn1cccn1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159648233 345453239 /nfs/dbraw/zinc/45/32/39/345453239.db2.gz FXLYQVAVOHSBAE-TXEJJXNPSA-N 1 0 248.330 0.626 20 70 BCIDRO Cn1cc(CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cn1 ZINC000159367035 345428084 /nfs/dbraw/zinc/42/80/84/345428084.db2.gz XIHLTTLQMDIORX-TXEJJXNPSA-N 1 0 248.330 0.316 20 70 BCIDRO COC(=O)CC[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000159386229 345431357 /nfs/dbraw/zinc/43/13/57/345431357.db2.gz ZVZJUUWCVXCTMY-NXEZZACHSA-N 1 0 215.293 0.785 20 70 BCIDRO C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCOC1 ZINC000159424206 345433714 /nfs/dbraw/zinc/43/37/14/345433714.db2.gz NZLLOFUYVVACHJ-VHSXEESVSA-N 1 0 229.324 0.415 20 70 BCIDRO O=C(c1cnns1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159464433 345436075 /nfs/dbraw/zinc/43/60/75/345436075.db2.gz NICYCPVTLQPNGZ-OCAPTIKFSA-N 1 0 238.316 0.505 20 70 BCIDRO C[C@@H]([NH3+])C(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000159503305 345439330 /nfs/dbraw/zinc/43/93/30/345439330.db2.gz HVVBUWFOXAJGTR-SSDOTTSWSA-N 1 0 231.259 0.757 20 70 BCIDRO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCO ZINC000159715301 345493933 /nfs/dbraw/zinc/49/39/33/345493933.db2.gz WELMHFFXLNLUSQ-JSGCOSHPSA-N 1 0 249.358 0.874 20 70 BCIDRO CC(C)[C@@H](C(=O)N1CCC[C@H](O)C1)[NH+](C)C ZINC000159823215 345559220 /nfs/dbraw/zinc/55/92/20/345559220.db2.gz WZFJGXVFYPPOBU-QWRGUYRKSA-N 1 0 228.336 0.556 20 70 BCIDRO COC(=O)CC[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000161210811 346089461 /nfs/dbraw/zinc/08/94/61/346089461.db2.gz JHTXTLRFIMOFHP-BDAKNGLRSA-N 1 0 201.266 0.252 20 70 BCIDRO C[C@@H](O)CC[N@H+](C)Cc1cnc(N)s1 ZINC000161285995 346167784 /nfs/dbraw/zinc/16/77/84/346167784.db2.gz FNYMDCWCGKARFA-SSDOTTSWSA-N 1 0 215.322 0.928 20 70 BCIDRO CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCOC1 ZINC000159456571 346421384 /nfs/dbraw/zinc/42/13/84/346421384.db2.gz AGUOBALFNBVMDU-NSHDSACASA-N 1 0 241.335 0.513 20 70 BCIDRO COCC[N@H+](C)CCNC(=O)C1CCOCC1 ZINC000161063905 346473637 /nfs/dbraw/zinc/47/36/37/346473637.db2.gz XQWHTILHEZVVAH-UHFFFAOYSA-N 1 0 244.335 0.107 20 70 BCIDRO OCCC[N@H+](CCO)Cc1cnc2ccccn12 ZINC000160331190 347265243 /nfs/dbraw/zinc/26/52/43/347265243.db2.gz ISYZTKHTROWYKR-UHFFFAOYSA-N 1 0 249.314 0.511 20 70 BCIDRO CC(C)[C@H]([NH3+])C(=O)Nc1cccn(C)c1=O ZINC000159676429 191117528 /nfs/dbraw/zinc/11/75/28/191117528.db2.gz XIZHRKQNZJRWKP-VIFPVBQESA-N 1 0 223.276 0.307 20 70 BCIDRO COC(=O)[C@H](NC(=O)[C@H](C)[NH3+])C(C)(C)C ZINC000159908013 351024921 /nfs/dbraw/zinc/02/49/21/351024921.db2.gz XHIYDNPJGWOFLW-BQBZGAKWSA-N 1 0 216.281 0.038 20 70 BCIDRO CC(=O)c1cnc(NC(=O)[C@H]2CC[NH2+]C2)s1 ZINC000159510041 188158419 /nfs/dbraw/zinc/15/84/19/188158419.db2.gz BPPIKWJGQCIKFH-ZETCQYMHSA-N 1 0 239.300 0.894 20 70 BCIDRO CC(C)([NH3+])C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000161105547 188221495 /nfs/dbraw/zinc/22/14/95/188221495.db2.gz KGZQSAVTFAMELR-YIZRAAEISA-N 1 0 226.320 0.653 20 70 BCIDRO C[C@@](CO)([NH2+]CCCO)c1ccccc1 ZINC000161222245 363498197 /nfs/dbraw/zinc/49/81/97/363498197.db2.gz LWSSZDRQPXKLEM-LBPRGKRZSA-N 1 0 209.289 0.866 20 70 BCIDRO COCCOCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000217183455 134229994 /nfs/dbraw/zinc/22/99/94/134229994.db2.gz AIJDHQCDPHCIMZ-WDEREUQCSA-N 1 0 216.325 0.319 20 70 BCIDRO CCOC[C@H](O)C[NH2+][C@@H](CC)CCO ZINC000217816429 357911492 /nfs/dbraw/zinc/91/14/92/357911492.db2.gz BERMDOCNNYYSRG-VHSXEESVSA-N 1 0 205.298 0.134 20 70 BCIDRO COC(=O)[C@H]1CC[N@H+](C[C@H](C)CO)C1 ZINC000160925591 359308571 /nfs/dbraw/zinc/30/85/71/359308571.db2.gz BJZNDVQCUKMZQD-IUCAKERBSA-N 1 0 201.266 0.110 20 70 BCIDRO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CC(C)C ZINC000159481784 361239676 /nfs/dbraw/zinc/23/96/76/361239676.db2.gz KDSGQLOAZRIMSA-RKDXNWHRSA-N 1 0 201.266 0.251 20 70 BCIDRO CSCCC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000159512824 361243764 /nfs/dbraw/zinc/24/37/64/361243764.db2.gz UXVYFPXUGFOVNX-DTWKUNHWSA-N 1 0 216.350 0.935 20 70 BCIDRO CSCCC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000159513067 361245130 /nfs/dbraw/zinc/24/51/30/361245130.db2.gz UXVYFPXUGFOVNX-IUCAKERBSA-N 1 0 216.350 0.935 20 70 BCIDRO CCCC[C@H](COC)NC(=O)C[NH2+]C ZINC000159650989 361276081 /nfs/dbraw/zinc/27/60/81/361276081.db2.gz JDTNNNSEHGPIPL-SECBINFHSA-N 1 0 202.298 0.527 20 70 BCIDRO CCOCCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000159562371 361255817 /nfs/dbraw/zinc/25/58/17/361255817.db2.gz NTFYUPACLWLXJI-NSHDSACASA-N 1 0 214.309 0.671 20 70 BCIDRO CC[N@H+](CCCO)[C@@H](C)C(=O)N(C)C ZINC000160725487 361325211 /nfs/dbraw/zinc/32/52/11/361325211.db2.gz YLHQHFNPDDRNOD-VIFPVBQESA-N 1 0 202.298 0.167 20 70 BCIDRO COC(=O)[C@@H]1CC[N@H+](CCSC)C1 ZINC000160843307 361329366 /nfs/dbraw/zinc/32/93/66/361329366.db2.gz FLMKXBJUNFIIBX-MRVPVSSYSA-N 1 0 203.307 0.844 20 70 BCIDRO CN(C(=O)C(F)F)C1CC[NH+](C)CC1 ZINC000217592252 371984349 /nfs/dbraw/zinc/98/43/49/371984349.db2.gz NQBNBYYTVBQJJV-UHFFFAOYSA-N 1 0 206.236 0.804 20 70 BCIDRO C[C@@H]1CC[N@H+](CCCS(N)(=O)=O)C[C@@H]1C ZINC000160981185 206094298 /nfs/dbraw/zinc/09/42/98/206094298.db2.gz CBZWMVOSLVJBHM-ZJUUUORDSA-N 1 0 234.365 0.643 20 70 BCIDRO C[NH+](C)CC(=O)N[C@@H](CCO)c1ccccc1 ZINC000159506516 384335828 /nfs/dbraw/zinc/33/58/28/384335828.db2.gz XMXXVHLRNGUCNW-LBPRGKRZSA-N 1 0 236.315 0.788 20 70 BCIDRO c1cn(CCN2CC[NH+](C3CC3)CC2)cn1 ZINC000159778675 384353854 /nfs/dbraw/zinc/35/38/54/384353854.db2.gz XBHGEALBNNXLRX-UHFFFAOYSA-N 1 0 220.320 0.663 20 70 BCIDRO CCC([NH3+])(CC)CNC(=O)[C@H](C)NC(C)=O ZINC000160446861 384412578 /nfs/dbraw/zinc/41/25/78/384412578.db2.gz WOJNOXROEGPFRC-QMMMGPOBSA-N 1 0 229.324 0.145 20 70 BCIDRO CC[C@](C)(O)C[N@H+](C)CCN1CCOCC1 ZINC000160892283 384445797 /nfs/dbraw/zinc/44/57/97/384445797.db2.gz UOQHWMVOPHJRNT-LBPRGKRZSA-N 1 0 230.352 0.411 20 70 BCIDRO C[C@H](CNC(=O)c1ccncc1F)[NH+](C)C ZINC000161426837 385033672 /nfs/dbraw/zinc/03/36/72/385033672.db2.gz VQJICZOQWSJQAG-MRVPVSSYSA-N 1 0 225.267 0.901 20 70 BCIDRO C[C@H]([NH3+])C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000161104835 385449212 /nfs/dbraw/zinc/44/92/12/385449212.db2.gz IBQVBHJCRMRAIH-MAUMQABQSA-N 1 0 212.293 0.263 20 70 BCIDRO CCc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)[nH]n1 ZINC000160671384 385702210 /nfs/dbraw/zinc/70/22/10/385702210.db2.gz NZPBFEJLFBWXOX-PHIMTYICSA-N 1 0 248.330 0.939 20 70 BCIDRO Cn1cccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160370458 386799042 /nfs/dbraw/zinc/79/90/42/386799042.db2.gz BSARJXUBYHQLLF-PHIMTYICSA-N 1 0 233.315 0.992 20 70 BCIDRO COCc1ccc(CN2CCC[C@H]2C(N)=O)o1 ZINC000160311147 387080624 /nfs/dbraw/zinc/08/06/24/387080624.db2.gz BZGICTNCWOBEAY-NSHDSACASA-N 1 0 238.287 0.876 20 70 BCIDRO C[N@H+](CCOCCO)C[C@@H]1CCC[C@@H]1O ZINC000159475869 388015980 /nfs/dbraw/zinc/01/59/80/388015980.db2.gz YACWBFXTFSBJKJ-QWRGUYRKSA-N 1 0 217.309 0.088 20 70 BCIDRO C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CCOC2)C1 ZINC000159471045 388017281 /nfs/dbraw/zinc/01/72/81/388017281.db2.gz BVFZSOLKGCATND-QWRGUYRKSA-N 1 0 241.335 0.511 20 70 BCIDRO CC[C@H]([NH3+])C(=O)N[C@@H](CCO)C(C)C ZINC000159600026 388022822 /nfs/dbraw/zinc/02/28/22/388022822.db2.gz BGZSUJIFDZUBGZ-IUCAKERBSA-N 1 0 202.298 0.247 20 70 BCIDRO O=C(c1csnn1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159768383 388029575 /nfs/dbraw/zinc/02/95/75/388029575.db2.gz FQACOBMJPAYMIR-OCAPTIKFSA-N 1 0 238.316 0.505 20 70 BCIDRO CCC(CC)[C@@H](O)CNC(=O)[C@H](C)[NH3+] ZINC000159758844 388029921 /nfs/dbraw/zinc/02/99/21/388029921.db2.gz XXCMAIQIBKHFJW-CBAPKCEASA-N 1 0 202.298 0.247 20 70 BCIDRO CC[N@H+](CCCO)[C@H]1CCCCNC1=O ZINC000160373581 388059443 /nfs/dbraw/zinc/05/94/43/388059443.db2.gz QBCNCXWJHYIZBC-JTQLQIEISA-N 1 0 214.309 0.359 20 70 BCIDRO COC(=O)CN1CCC([NH2+]C(C)C)CC1 ZINC000160499388 388070150 /nfs/dbraw/zinc/07/01/50/388070150.db2.gz WYEBLNUDPBCSLE-UHFFFAOYSA-N 1 0 214.309 0.622 20 70 BCIDRO C[NH2+][C@H]1CCN(C(=O)CCOCC(C)C)C1 ZINC000160525142 388073876 /nfs/dbraw/zinc/07/38/76/388073876.db2.gz NHVDZQGINIHARS-NSHDSACASA-N 1 0 228.336 0.869 20 70 BCIDRO Cc1nn(C)cc1C[NH2+]C(C)(C)[C@@H](C)O ZINC000160597744 388078233 /nfs/dbraw/zinc/07/82/33/388078233.db2.gz ZHAMLMMOCYGXGR-SECBINFHSA-N 1 0 211.309 0.978 20 70 BCIDRO C[C@@H](CC(=O)N(C)C)[NH2+]CC(C)(C)O ZINC000160633251 388080017 /nfs/dbraw/zinc/08/00/17/388080017.db2.gz HGRMPAMZFBRILL-QMMMGPOBSA-N 1 0 202.298 0.214 20 70 BCIDRO CCc1nnc(C[NH2+][C@H](CO)C(C)C)[nH]1 ZINC000160737957 388087338 /nfs/dbraw/zinc/08/73/38/388087338.db2.gz LJWLSJAHLCQEHO-MRVPVSSYSA-N 1 0 212.297 0.474 20 70 BCIDRO CCC[C@H]([NH3+])C(=O)NCC[C@@H](O)C(C)C ZINC000160898228 388099417 /nfs/dbraw/zinc/09/94/17/388099417.db2.gz BKCZWLNGWILIAE-VHSXEESVSA-N 1 0 216.325 0.637 20 70 BCIDRO CCC[C@@H]([NH3+])C(=O)NCC[C@H](O)C(C)C ZINC000160898097 388099679 /nfs/dbraw/zinc/09/96/79/388099679.db2.gz BKCZWLNGWILIAE-ZJUUUORDSA-N 1 0 216.325 0.637 20 70 BCIDRO CCC([NH3+])(CC)CNS(=O)(=O)NC(C)C ZINC000160941531 388104414 /nfs/dbraw/zinc/10/44/14/388104414.db2.gz PPDKSSCZEMAADA-UHFFFAOYSA-N 1 0 237.369 0.336 20 70 BCIDRO Cc1nn(C)cc1C[NH2+]C[C@H](O)C(C)C ZINC000160147094 388047633 /nfs/dbraw/zinc/04/76/33/388047633.db2.gz RVWVPLQEKBDLNI-NSHDSACASA-N 1 0 211.309 0.835 20 70 BCIDRO CC[C@@H](CCO)[NH2+]Cc1cnn(C)c1C ZINC000160155475 388047930 /nfs/dbraw/zinc/04/79/30/388047930.db2.gz QFWYZQLAXBMEQK-NSHDSACASA-N 1 0 211.309 0.979 20 70 BCIDRO [NH3+]CCCNC(=O)CCC1CCOCC1 ZINC000160175615 388050024 /nfs/dbraw/zinc/05/00/24/388050024.db2.gz UGVQBYQNFKXZBY-UHFFFAOYSA-N 1 0 214.309 0.658 20 70 BCIDRO CC(C)([NH3+])C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000161105305 388365045 /nfs/dbraw/zinc/36/50/45/388365045.db2.gz KGZQSAVTFAMELR-HLTSFMKQSA-N 1 0 226.320 0.653 20 70 BCIDRO CC[C@H](CCO)[NH2+]C[C@H](O)COC(C)C ZINC000217854665 388573843 /nfs/dbraw/zinc/57/38/43/388573843.db2.gz IPAVAOLYNBRFCS-MNOVXSKESA-N 1 0 219.325 0.523 20 70 BCIDRO CC(C)CC[C@@H](C)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000218367467 133522882 /nfs/dbraw/zinc/52/28/82/133522882.db2.gz MKUMHUIDSKUTFG-GMTAPVOTSA-N 1 0 228.336 0.650 20 70 BCIDRO C[NH+](C)CC(=O)N1CCc2ccc(O)cc2C1 ZINC000218194646 134251488 /nfs/dbraw/zinc/25/14/88/134251488.db2.gz REONILPBIKNLTC-UHFFFAOYSA-N 1 0 234.299 0.839 20 70 BCIDRO CC(C)OCC(=O)NC1(C)CC[NH2+]CC1 ZINC000160575807 167182754 /nfs/dbraw/zinc/18/27/54/167182754.db2.gz IANWLWZEIFDZLE-UHFFFAOYSA-N 1 0 214.309 0.670 20 70 BCIDRO CC(C)OCCC(=O)N1CC[C@@H]([NH3+])C1 ZINC000160210144 167197159 /nfs/dbraw/zinc/19/71/59/167197159.db2.gz RZDMUKOBRVGPLO-SECBINFHSA-N 1 0 200.282 0.361 20 70 BCIDRO CC(C)[C@@H]([NH3+])C(=O)Nc1cccn(C)c1=O ZINC000159676541 167418599 /nfs/dbraw/zinc/41/85/99/167418599.db2.gz XIZHRKQNZJRWKP-SECBINFHSA-N 1 0 223.276 0.307 20 70 BCIDRO C[NH2+]CCNCc1ccc2c[nH]nc2c1 ZINC000161280862 173356320 /nfs/dbraw/zinc/35/63/20/173356320.db2.gz KMVJTZHGLPIOKF-UHFFFAOYSA-N 1 0 204.277 0.872 20 70 BCIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)OC ZINC000160943094 173380195 /nfs/dbraw/zinc/38/01/95/173380195.db2.gz HMNWJLDLLUXNIU-RKDXNWHRSA-N 1 0 200.282 0.232 20 70 BCIDRO CO[C@H](C)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000160944144 174802689 /nfs/dbraw/zinc/80/26/89/174802689.db2.gz XIZDQYKMZMMYSW-ZJUUUORDSA-N 1 0 216.325 0.853 20 70 BCIDRO CO[C@H](C)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000160935368 174807182 /nfs/dbraw/zinc/80/71/82/174807182.db2.gz AOBUGPKVVFIMQS-BDAKNGLRSA-N 1 0 202.298 0.511 20 70 BCIDRO C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160271122 176002823 /nfs/dbraw/zinc/00/28/23/176002823.db2.gz IVQLYNAGERYPCL-MXWKQRLJSA-N 1 0 242.319 0.130 20 70 BCIDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccn[nH]1 ZINC000160532417 177395914 /nfs/dbraw/zinc/39/59/14/177395914.db2.gz KSMLWMZJSNGVTR-HTQZYQBOSA-N 1 0 208.265 0.280 20 70 BCIDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1csnn1 ZINC000160539815 177396737 /nfs/dbraw/zinc/39/67/37/177396737.db2.gz POKZLJZDDHLTOD-RNFRBKRXSA-N 1 0 226.305 0.408 20 70 BCIDRO COC[C@H](C)[NH2+]CCCN1CCCC1=O ZINC000159580115 323029337 /nfs/dbraw/zinc/02/93/37/323029337.db2.gz XYNKADOPOAMPCF-JTQLQIEISA-N 1 0 214.309 0.623 20 70 BCIDRO CCOC(=O)C[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC000159557772 323036708 /nfs/dbraw/zinc/03/67/08/323036708.db2.gz LZMVSKCDAUWJJH-VHSXEESVSA-N 1 0 244.335 0.785 20 70 BCIDRO COCCCCC[N@H+](C)CC(C)(CO)CO ZINC000159587986 323039435 /nfs/dbraw/zinc/03/94/35/323039435.db2.gz QDMKEXPSBQOWRJ-UHFFFAOYSA-N 1 0 233.352 0.726 20 70 BCIDRO CO[C@H](C)CCC(=O)NC1CC[NH2+]CC1 ZINC000159745361 323046728 /nfs/dbraw/zinc/04/67/28/323046728.db2.gz MCFWLHVHRZNDLD-SECBINFHSA-N 1 0 214.309 0.670 20 70 BCIDRO CC[N@H+](CC(=O)N[C@@H](CO)CC(C)C)C1CC1 ZINC000160844038 323136601 /nfs/dbraw/zinc/13/66/01/323136601.db2.gz AVFKHEWGJFGIOJ-LLVKDONJSA-N 1 0 242.363 0.994 20 70 BCIDRO C[C@@H]([NH3+])C(=O)Nc1nncn1Cc1ccccc1 ZINC000161154215 323149431 /nfs/dbraw/zinc/14/94/31/323149431.db2.gz PQCJNBQQIRCOJT-SECBINFHSA-N 1 0 245.286 0.612 20 70 BCIDRO Cn1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000161200029 487484317 /nfs/dbraw/zinc/48/43/17/487484317.db2.gz MPAVZZRPUPWIJR-ZJUUUORDSA-N 1 0 222.292 0.420 20 70 BCIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2CSCN2)C1 ZINC000161196942 487489675 /nfs/dbraw/zinc/48/96/75/487489675.db2.gz DYXBCIODODQUAN-VGMNWLOBSA-N 1 0 229.349 0.035 20 70 BCIDRO Cc1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)n(C)n1 ZINC000161316622 487491006 /nfs/dbraw/zinc/49/10/06/487491006.db2.gz RNKSNXDMTLXMGZ-UWVGGRQHSA-N 1 0 236.319 0.728 20 70 BCIDRO Cn1nccc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161501383 487501103 /nfs/dbraw/zinc/50/11/03/487501103.db2.gz QNANSLMYNOAMSL-DTWKUNHWSA-N 1 0 222.292 0.420 20 70 BCIDRO CC(=O)N[C@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000159757871 488180642 /nfs/dbraw/zinc/18/06/42/488180642.db2.gz JCXNAQNQXWNBTA-LBPRGKRZSA-N 1 0 236.319 0.484 20 70 BCIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC000160987788 490131711 /nfs/dbraw/zinc/13/17/11/490131711.db2.gz XNWJEIABCDMLIJ-OPRDCNLKSA-N 1 0 212.293 0.409 20 70 BCIDRO CCC[C@H](O)C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000217862445 592150353 /nfs/dbraw/zinc/15/03/53/592150353.db2.gz VEOYLGXYXLVVCA-ZJUUUORDSA-N 1 0 214.309 0.406 20 70 BCIDRO