smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1n[nH]nc1[C@@H]([NH3+])CC(C)C ZINC000685954643 538899323 /nfs/dbraw/zinc/89/93/23/538899323.db2.gz VBWUBKGXYRIGJM-ZETCQYMHSA-N 1 2 226.280 1.027 10 0 BDAELO CNCC(F)(F)C[NH+]1C[C@H]2CC[C@@H]2C1 ZINC000685956134 538902382 /nfs/dbraw/zinc/90/23/82/538902382.db2.gz YCUHFPXRHCLFRM-RKDXNWHRSA-N 1 2 204.264 1.183 10 0 BDAELO CNCC(F)(F)C[NH+]1C[C@@H]2CC[C@H]2C1 ZINC000685956133 538902473 /nfs/dbraw/zinc/90/24/73/538902473.db2.gz YCUHFPXRHCLFRM-IUCAKERBSA-N 1 2 204.264 1.183 10 0 BDAELO CCNCC(F)(F)C[N@H+](C)[C@H](C)CC ZINC000685956744 538903537 /nfs/dbraw/zinc/90/35/37/538903537.db2.gz INLNCNYLLICSHT-SECBINFHSA-N 1 2 208.296 1.962 10 0 BDAELO CCNCC(F)(F)C[N@@H+](C)[C@H](C)CC ZINC000685956744 538903538 /nfs/dbraw/zinc/90/35/38/538903538.db2.gz INLNCNYLLICSHT-SECBINFHSA-N 1 2 208.296 1.962 10 0 BDAELO CC[C@H](C)[N@H+](CC)CC(F)(F)CNC ZINC000685958098 538905544 /nfs/dbraw/zinc/90/55/44/538905544.db2.gz OTLARMWUTQIHRQ-VIFPVBQESA-N 1 2 208.296 1.962 10 0 BDAELO CC[C@H](C)[N@@H+](CC)CC(F)(F)CNC ZINC000685958098 538905545 /nfs/dbraw/zinc/90/55/45/538905545.db2.gz OTLARMWUTQIHRQ-VIFPVBQESA-N 1 2 208.296 1.962 10 0 BDAELO CCCC[N@H+](CC)CC(F)(F)CNC ZINC000685958402 538906018 /nfs/dbraw/zinc/90/60/18/538906018.db2.gz YHZUOOWRQBNOMM-UHFFFAOYSA-N 1 2 208.296 1.963 10 0 BDAELO CCCC[N@@H+](CC)CC(F)(F)CNC ZINC000685958402 538906020 /nfs/dbraw/zinc/90/60/20/538906020.db2.gz YHZUOOWRQBNOMM-UHFFFAOYSA-N 1 2 208.296 1.963 10 0 BDAELO CCC[N@H+](CC(F)(F)CNC)C(C)C ZINC000685958410 538906057 /nfs/dbraw/zinc/90/60/57/538906057.db2.gz YOWXGKFQHDSVPO-UHFFFAOYSA-N 1 2 208.296 1.962 10 0 BDAELO CCC[N@@H+](CC(F)(F)CNC)C(C)C ZINC000685958410 538906059 /nfs/dbraw/zinc/90/60/59/538906059.db2.gz YOWXGKFQHDSVPO-UHFFFAOYSA-N 1 2 208.296 1.962 10 0 BDAELO CC(C)n1ncnc1C[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000385185773 398138997 /nfs/dbraw/zinc/13/89/97/398138997.db2.gz NUKBQLSVPHLJRC-MNOVXSKESA-N 1 2 238.335 1.204 10 0 BDAELO CC(C)n1ncnc1C[N@H+]1CCC[C@H](O)[C@H]1C ZINC000385185773 398139002 /nfs/dbraw/zinc/13/90/02/398139002.db2.gz NUKBQLSVPHLJRC-MNOVXSKESA-N 1 2 238.335 1.204 10 0 BDAELO Cc1cc([NH3+])ccc1NCc1cnn(C)c1 ZINC000041054660 178107692 /nfs/dbraw/zinc/10/76/92/178107692.db2.gz JNQNSMGTYUEJSO-UHFFFAOYSA-N 1 2 216.288 1.923 10 0 BDAELO COC(=O)N1CCCC[C@@H]1c1ccc[nH+]c1N ZINC000616612817 349591887 /nfs/dbraw/zinc/59/18/87/349591887.db2.gz OHJKLMRATMEFMC-SNVBAGLBSA-N 1 2 235.287 1.957 10 0 BDAELO c1coc(-c2n[nH]c(Cn3cc[nH+]c3)n2)c1 ZINC000040176249 342957828 /nfs/dbraw/zinc/95/78/28/342957828.db2.gz SGAWFEQGMHVOIB-UHFFFAOYSA-N 1 2 215.216 1.310 10 0 BDAELO [NH3+][C@H](C(=O)C(F)(F)F)c1ccccc1 ZINC000020285551 342980609 /nfs/dbraw/zinc/98/06/09/342980609.db2.gz HOMCHQKWBBQBME-ZETCQYMHSA-N 1 2 203.163 1.818 10 0 BDAELO [NH3+][C@@H](C(=O)C(F)(F)F)c1ccccc1 ZINC000020285547 342980815 /nfs/dbraw/zinc/98/08/15/342980815.db2.gz HOMCHQKWBBQBME-SSDOTTSWSA-N 1 2 203.163 1.818 10 0 BDAELO COc1ccc2c(N)c(N)c[nH+]c2c1F ZINC000584882211 343084236 /nfs/dbraw/zinc/08/42/36/343084236.db2.gz USEMANOESSPHLP-UHFFFAOYSA-N 1 2 207.208 1.547 10 0 BDAELO [NH3+][C@H](c1noc(C2CC2)n1)c1cccnc1 ZINC000036764443 343323961 /nfs/dbraw/zinc/32/39/61/343323961.db2.gz HGVDADNNKOZTCU-VIFPVBQESA-N 1 2 216.244 1.390 10 0 BDAELO CC(C)n1cc[nH+]c1Cn1cc(CCCO)nn1 ZINC000641050587 362164497 /nfs/dbraw/zinc/16/44/97/362164497.db2.gz BBRSWDVFZCPJGX-UHFFFAOYSA-N 1 2 249.318 1.029 10 0 BDAELO COc1ncccc1C[NH2+]Cc1ccnc(C)n1 ZINC000054790674 136373039 /nfs/dbraw/zinc/37/30/39/136373039.db2.gz UQPUPZSBIOWUNU-UHFFFAOYSA-N 1 2 244.298 1.478 10 0 BDAELO CC(C)[C@H](C)[N@H+](C)c1ccc(N)cc1C(N)=O ZINC000041083788 187264723 /nfs/dbraw/zinc/26/47/23/187264723.db2.gz PZQFQLRKSAVBDO-VIFPVBQESA-N 1 2 235.331 1.848 10 0 BDAELO CC(C)[C@H](C)[N@@H+](C)c1ccc(N)cc1C(N)=O ZINC000041083788 187264724 /nfs/dbraw/zinc/26/47/24/187264724.db2.gz PZQFQLRKSAVBDO-VIFPVBQESA-N 1 2 235.331 1.848 10 0 BDAELO Cn1ncc([C@@H]2[NH2+]CCc3occc32)c1Cl ZINC000712427397 537788042 /nfs/dbraw/zinc/78/80/42/537788042.db2.gz QYNYHASVAABGDX-SNVBAGLBSA-N 1 2 237.690 1.902 10 0 BDAELO CCc1[nH+]ccn1-c1ccc(N)c(OC)n1 ZINC000042419567 187265818 /nfs/dbraw/zinc/26/58/18/187265818.db2.gz VZIAMSAJCAMCSC-UHFFFAOYSA-N 1 2 218.260 1.421 10 0 BDAELO [NH3+][C@@H](c1ncno1)c1ccc(Cl)c(F)c1 ZINC000205035957 343613398 /nfs/dbraw/zinc/61/33/98/343613398.db2.gz RTQWWUYAQYLMAQ-MRVPVSSYSA-N 1 2 227.626 1.910 10 0 BDAELO COc1nscc1[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000712923509 537796705 /nfs/dbraw/zinc/79/67/05/537796705.db2.gz LXUBPVWCZIYNKT-QMMMGPOBSA-N 1 2 236.300 1.110 10 0 BDAELO CCOC[C@@H]1CN([NH3+])C[C@@H]1C(F)(F)F ZINC000409428520 343803552 /nfs/dbraw/zinc/80/35/52/343803552.db2.gz GOTAWUVBJQBUSU-BQBZGAKWSA-N 1 2 212.215 1.007 10 0 BDAELO CC(C)c1nc([C@@H]([NH3+])c2ccccn2)no1 ZINC000409437587 343841162 /nfs/dbraw/zinc/84/11/62/343841162.db2.gz AGTGFANHQWNREA-VIFPVBQESA-N 1 2 218.260 1.636 10 0 BDAELO [NH2+]=C(NO)[C@@H](c1ccco1)n1cccc1 ZINC000409439452 343847601 /nfs/dbraw/zinc/84/76/01/343847601.db2.gz HOSRLCYJOVKNBZ-SECBINFHSA-N 1 2 205.217 1.627 10 0 BDAELO CCCc1nc(C[NH2+][C@@H]2CCO[C@@H]2C)no1 ZINC000393482562 343879245 /nfs/dbraw/zinc/87/92/45/343879245.db2.gz RHWLYGDPGDZKAA-RKDXNWHRSA-N 1 2 225.292 1.289 10 0 BDAELO CC(C)(C)[C@@H](O)CNc1cc[nH+]cc1F ZINC000641373692 362382153 /nfs/dbraw/zinc/38/21/53/362382153.db2.gz PFXBFSZOLNDFDX-JTQLQIEISA-N 1 2 212.268 1.462 10 0 BDAELO CCCC(=O)OC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000220583137 344334092 /nfs/dbraw/zinc/33/40/92/344334092.db2.gz LJDGHPLLYHOILL-NSHDSACASA-N 1 2 221.256 1.556 10 0 BDAELO CC(=O)Nc1ccc(OCCn2cc[nH+]c2)cc1 ZINC000029218594 344504889 /nfs/dbraw/zinc/50/48/89/344504889.db2.gz SXSVGNBGNLQMKY-UHFFFAOYSA-N 1 2 245.282 1.921 10 0 BDAELO CCc1cnc([C@@H]2[NH2+]CCc3nc[nH]c32)s1 ZINC000400387473 537853338 /nfs/dbraw/zinc/85/33/38/537853338.db2.gz IZNBQTJPIOHHES-SNVBAGLBSA-N 1 2 234.328 1.664 10 0 BDAELO CC[NH+]1CCN(c2ncc(C=O)s2)CC1 ZINC000054861351 344731258 /nfs/dbraw/zinc/73/12/58/344731258.db2.gz GZCNBGHSRWGNGW-UHFFFAOYSA-N 1 2 225.317 1.098 10 0 BDAELO CC(C)(O)c1nc([C@H]2CCCC[NH2+]2)no1 ZINC000050039650 187294559 /nfs/dbraw/zinc/29/45/59/187294559.db2.gz PPFRWCNVSGDTMV-SSDOTTSWSA-N 1 2 211.265 1.112 10 0 BDAELO OCc1cc(-n2cc[nH+]c2)ncc1Cl ZINC000166505715 344913384 /nfs/dbraw/zinc/91/33/84/344913384.db2.gz MIEBUWKMBKDZCL-UHFFFAOYSA-N 1 2 209.636 1.413 10 0 BDAELO C[C@H]1C[N@H+](C)CCN1[C@@H]1CCCCC1=O ZINC000235643640 344965522 /nfs/dbraw/zinc/96/55/22/344965522.db2.gz VHZJDUUFJDWSQH-WDEREUQCSA-N 1 2 210.321 1.134 10 0 BDAELO C[C@H]1C[N@@H+](C)CCN1[C@@H]1CCCCC1=O ZINC000235643640 344965524 /nfs/dbraw/zinc/96/55/24/344965524.db2.gz VHZJDUUFJDWSQH-WDEREUQCSA-N 1 2 210.321 1.134 10 0 BDAELO C[C@H]1C[C@H]1Nc1nc[nH+]c(N)c1Br ZINC000235596164 344950658 /nfs/dbraw/zinc/95/06/58/344950658.db2.gz IKIAKRADDYGEEX-CRCLSJGQSA-N 1 2 243.108 1.642 10 0 BDAELO C[C@H]1C[C@H]1Nc1[nH+]cnc(N)c1Br ZINC000235596164 344950660 /nfs/dbraw/zinc/95/06/60/344950660.db2.gz IKIAKRADDYGEEX-CRCLSJGQSA-N 1 2 243.108 1.642 10 0 BDAELO CCC[C@@H]([NH2+][C@H]1CCOC1)C(=O)OC(C)(C)C ZINC000154856556 345052147 /nfs/dbraw/zinc/05/21/47/345052147.db2.gz VZNVNGQUTBWFOR-WDEREUQCSA-N 1 2 243.347 1.875 10 0 BDAELO CC(C)[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000155786988 345102582 /nfs/dbraw/zinc/10/25/82/345102582.db2.gz JCCBIOBKDHBOEP-WDEREUQCSA-N 1 2 235.331 1.606 10 0 BDAELO O[C@@H]1CC[C@H]2CN(c3cc[nH+]cc3F)C[C@H]2C1 ZINC000641635751 362564578 /nfs/dbraw/zinc/56/45/78/362564578.db2.gz MNSFNSWPKLGAPI-HBNTYKKESA-N 1 2 236.290 1.818 10 0 BDAELO O[C@@H]1CC[C@H]2CN(c3cc[nH+]cc3F)C[C@@H]2C1 ZINC000641635749 362565103 /nfs/dbraw/zinc/56/51/03/362565103.db2.gz MNSFNSWPKLGAPI-GARJFASQSA-N 1 2 236.290 1.818 10 0 BDAELO Cc1cc(N[C@@H]2CCC[C@@]2(C)CO)nc[nH+]1 ZINC000301436978 187302620 /nfs/dbraw/zinc/30/26/20/187302620.db2.gz HSDOCJZCKLLKQX-PWSUYJOCSA-N 1 2 221.304 1.748 10 0 BDAELO Oc1ccc[nH+]c1N[C@H]1CC[C@H](O)CC1 ZINC000257350871 345773282 /nfs/dbraw/zinc/77/32/82/345773282.db2.gz ARMPIJPNFLWBIQ-KYZUINATSA-N 1 2 208.261 1.503 10 0 BDAELO C[C@@H]1C[C@H](C)C[N@@H+](CC(F)(F)CN)C1 ZINC000306221421 537912999 /nfs/dbraw/zinc/91/29/99/537912999.db2.gz UCVJXPMJBIYNSS-DTORHVGOSA-N 1 2 206.280 1.558 10 0 BDAELO C[C@@H]1C[C@H](C)C[N@H+](CC(F)(F)CN)C1 ZINC000306221421 537913004 /nfs/dbraw/zinc/91/30/04/537913004.db2.gz UCVJXPMJBIYNSS-DTORHVGOSA-N 1 2 206.280 1.558 10 0 BDAELO CC(C)(C)OC(=O)N1CCc2c1cc[nH+]c2N ZINC000095836952 346076239 /nfs/dbraw/zinc/07/62/39/346076239.db2.gz DCWJRPPLSJPVQT-UHFFFAOYSA-N 1 2 235.287 1.961 10 0 BDAELO CN(Cc1[nH+]ccn1C)c1nsnc1Cl ZINC000062328997 346239969 /nfs/dbraw/zinc/23/99/69/346239969.db2.gz DYPJSVRPXHLOCN-UHFFFAOYSA-N 1 2 243.723 1.561 10 0 BDAELO CC1CC[NH+](Cc2nn(C)cc2C=O)CC1 ZINC000675055028 537982781 /nfs/dbraw/zinc/98/27/81/537982781.db2.gz XWCYVSXUFYQSDH-UHFFFAOYSA-N 1 2 221.304 1.465 10 0 BDAELO C[C@H](O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000059834933 347229801 /nfs/dbraw/zinc/22/98/01/347229801.db2.gz AXEGPPCQSJEPEG-JTQLQIEISA-N 1 2 202.257 1.985 10 0 BDAELO Cc1ccccc1Oc1ccc(NN)[nH+]n1 ZINC000020849424 179313585 /nfs/dbraw/zinc/31/35/85/179313585.db2.gz HOXWNNUALTYBRH-UHFFFAOYSA-N 1 2 216.244 1.863 10 0 BDAELO CC(C)n1ccc(Cn2c[nH+]c(N)c2)n1 ZINC000725247427 538010942 /nfs/dbraw/zinc/01/09/42/538010942.db2.gz WIJUEYRVSYVPFZ-UHFFFAOYSA-N 1 2 205.265 1.291 10 0 BDAELO CC(=O)N1C[C@@H](c2[nH]cc[nH+]2)Nc2ccccc21 ZINC000616582885 349301741 /nfs/dbraw/zinc/30/17/41/349301741.db2.gz DZZZZZNZSVHIGG-NSHDSACASA-N 1 2 242.282 1.929 10 0 BDAELO Cc1nc([C@@H]2C[N@H+](CC3CCC3)CCO2)n[nH]1 ZINC000408233682 180044529 /nfs/dbraw/zinc/04/45/29/180044529.db2.gz WQVVKELWVRKHIN-NSHDSACASA-N 1 2 236.319 1.287 10 0 BDAELO Cc1nc([C@@H]2C[N@@H+](CC3CCC3)CCO2)n[nH]1 ZINC000408233682 180044532 /nfs/dbraw/zinc/04/45/32/180044532.db2.gz WQVVKELWVRKHIN-NSHDSACASA-N 1 2 236.319 1.287 10 0 BDAELO Nc1ccc(NC(=O)CCc2ccccn2)c[nH+]1 ZINC000132646828 191034392 /nfs/dbraw/zinc/03/43/92/191034392.db2.gz KDGDICZWZNCFKH-UHFFFAOYSA-N 1 2 242.282 1.630 10 0 BDAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1ccco1 ZINC000083475825 180110687 /nfs/dbraw/zinc/11/06/87/180110687.db2.gz CZLZYYNQNYFFJP-NSHDSACASA-N 1 2 232.287 1.804 10 0 BDAELO Cc1nn(C)c(N[C@H](C)Cn2cc[nH+]c2)c1N ZINC000049234797 180359804 /nfs/dbraw/zinc/35/98/04/180359804.db2.gz BIZYLSYNPQAQDW-MRVPVSSYSA-N 1 2 234.307 1.008 10 0 BDAELO CC(=O)Nc1ccccc1[C@H]1COCC[N@H+]1C ZINC000616601813 350786881 /nfs/dbraw/zinc/78/68/81/350786881.db2.gz PPBBSUUMHDSEEW-CYBMUJFWSA-N 1 2 234.299 1.648 10 0 BDAELO CC(=O)Nc1ccccc1[C@H]1COCC[N@@H+]1C ZINC000616601813 350786883 /nfs/dbraw/zinc/78/68/83/350786883.db2.gz PPBBSUUMHDSEEW-CYBMUJFWSA-N 1 2 234.299 1.648 10 0 BDAELO CCCC1N=NC(=S)N1C1C[NH+](C)C1 ZINC000306678364 350832848 /nfs/dbraw/zinc/83/28/48/350832848.db2.gz AVIVDMFZGOUUBI-UHFFFAOYSA-N 1 2 212.322 1.006 10 0 BDAELO CCOC(=O)N1CCC(c2cccc(N)[nH+]2)CC1 ZINC000616619051 350925843 /nfs/dbraw/zinc/92/58/43/350925843.db2.gz HRPMWMXNTNRBDT-UHFFFAOYSA-N 1 2 249.314 2.000 10 0 BDAELO CC(=O)N1CCC(c2ccc[nH+]c2N)CC1 ZINC000616620053 350931500 /nfs/dbraw/zinc/93/15/00/350931500.db2.gz LZWHFPPJEJLKMW-UHFFFAOYSA-N 1 2 219.288 1.390 10 0 BDAELO CC(=O)N1CCC[C@H](c2cccc(N)[nH+]2)C1 ZINC000616621572 351043489 /nfs/dbraw/zinc/04/34/89/351043489.db2.gz SQRYUZBKGAYBRL-JTQLQIEISA-N 1 2 219.288 1.390 10 0 BDAELO OCC[N@@H+]1CCN[C@@H](c2ccccc2Cl)C1 ZINC000616632636 351112042 /nfs/dbraw/zinc/11/20/42/351112042.db2.gz UFGGENVZPNEBIT-GFCCVEGCSA-N 1 2 240.734 1.279 10 0 BDAELO OCC[N@H+]1CCN[C@@H](c2ccccc2Cl)C1 ZINC000616632636 351112044 /nfs/dbraw/zinc/11/20/44/351112044.db2.gz UFGGENVZPNEBIT-GFCCVEGCSA-N 1 2 240.734 1.279 10 0 BDAELO CC(C)N1CC[NH2+][C@@H](c2cccnc2N)C1 ZINC000616632777 351113722 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172013235 /nfs/dbraw/zinc/01/32/35/172013235.db2.gz CCQZNBNJLDYVBH-JTQLQIEISA-N 1 2 247.298 1.271 10 0 BDAELO CCn1cc[nH+]c1-n1nc(C)c(N)c1C ZINC000050614493 172213671 /nfs/dbraw/zinc/21/36/71/172213671.db2.gz OHSGDEFNCOANCR-UHFFFAOYSA-N 1 2 205.265 1.288 10 0 BDAELO CN(C)C(=O)c1n[nH]c2c1C[N@H+](CC1CCC1)C2 ZINC000096066697 172393376 /nfs/dbraw/zinc/39/33/76/172393376.db2.gz BDEUAOPORKRFMQ-UHFFFAOYSA-N 1 2 248.330 1.227 10 0 BDAELO CN(C)C(=O)c1n[nH]c2c1C[N@@H+](CC1CCC1)C2 ZINC000096066697 172393378 /nfs/dbraw/zinc/39/33/78/172393378.db2.gz BDEUAOPORKRFMQ-UHFFFAOYSA-N 1 2 248.330 1.227 10 0 BDAELO C[NH+](C)CC(=O)c1ccc2[nH]ccc2c1 ZINC000089208864 172421076 /nfs/dbraw/zinc/42/10/76/172421076.db2.gz BJJPKAJRCKMDGG-UHFFFAOYSA-N 1 2 202.257 1.912 10 0 BDAELO C[N@@H+]1CCO[C@H](CNc2nc3ccccc3o2)C1 ZINC000110489831 173109193 /nfs/dbraw/zinc/10/91/93/173109193.db2.gz BNTZZTBFPMTUKR-SNVBAGLBSA-N 1 2 247.298 1.570 10 0 BDAELO C[N@H+]1CCO[C@H](CNc2nc3ccccc3o2)C1 ZINC000110489831 173109195 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CC(C)(C)[N@@H+]1CCOC[C@H]1c1ccnnc1 ZINC000616641620 351149311 /nfs/dbraw/zinc/14/93/11/351149311.db2.gz LDPSSZWXKMEYML-NSHDSACASA-N 1 2 221.304 1.648 10 0 BDAELO CC(C)(C)[N@H+]1CCOC[C@H]1c1ccnnc1 ZINC000616641620 351149313 /nfs/dbraw/zinc/14/93/13/351149313.db2.gz LDPSSZWXKMEYML-NSHDSACASA-N 1 2 221.304 1.648 10 0 BDAELO CC(C)[N@@H+]1CCO[C@@H](c2cncnc2)C1 ZINC000616644402 351163355 /nfs/dbraw/zinc/16/33/55/351163355.db2.gz CCPDWJQYJYTFAU-LLVKDONJSA-N 1 2 207.277 1.258 10 0 BDAELO CC(C)[N@H+]1CCO[C@@H](c2cncnc2)C1 ZINC000616644402 351163357 /nfs/dbraw/zinc/16/33/57/351163357.db2.gz CCPDWJQYJYTFAU-LLVKDONJSA-N 1 2 207.277 1.258 10 0 BDAELO CC(C)(C)[N@@H+]1CCO[C@H](c2conn2)C1 ZINC000616648073 351175585 /nfs/dbraw/zinc/17/55/85/351175585.db2.gz NUXBKEWFTLOEIY-VIFPVBQESA-N 1 2 211.265 1.241 10 0 BDAELO CC(C)(C)[N@H+]1CCO[C@H](c2conn2)C1 ZINC000616648073 351175588 /nfs/dbraw/zinc/17/55/88/351175588.db2.gz NUXBKEWFTLOEIY-VIFPVBQESA-N 1 2 211.265 1.241 10 0 BDAELO CC(C)(C)[N@@H+]1CCOC[C@@H]1c1cnoc1 ZINC000616637547 351134030 /nfs/dbraw/zinc/13/40/30/351134030.db2.gz NNBPLKAKTMYQJC-SNVBAGLBSA-N 1 2 210.277 1.846 10 0 BDAELO CC(C)(C)[N@H+]1CCOC[C@@H]1c1cnoc1 ZINC000616637547 351134034 /nfs/dbraw/zinc/13/40/34/351134034.db2.gz NNBPLKAKTMYQJC-SNVBAGLBSA-N 1 2 210.277 1.846 10 0 BDAELO CC(C)n1nnnc1C[NH2+][C@@H](C)c1ccccn1 ZINC000181788370 535169606 /nfs/dbraw/zinc/16/96/06/535169606.db2.gz JSDZMNQELJLPIT-JTQLQIEISA-N 1 2 246.318 1.500 10 0 BDAELO COC(=O)C[NH2+]CCCOCc1ccccc1 ZINC000307345347 352093784 /nfs/dbraw/zinc/09/37/84/352093784.db2.gz AQFZTYJCSVJWPX-UHFFFAOYSA-N 1 2 237.299 1.356 10 0 BDAELO CC(C)(C)C(=O)NCc1cccc(N)[nH+]1 ZINC000725270325 538102104 /nfs/dbraw/zinc/10/21/04/538102104.db2.gz GMLDDLRHLCYOKI-UHFFFAOYSA-N 1 2 207.277 1.326 10 0 BDAELO CCC[C@@H](C)C(=O)NCc1cccc(N)[nH+]1 ZINC000725270537 538102445 /nfs/dbraw/zinc/10/24/45/538102445.db2.gz LUEOCDALDVJNGK-SECBINFHSA-N 1 2 221.304 1.716 10 0 BDAELO Cc1nnsc1[C@@H]1[NH2+]CC[C@@H](C)S1 ZINC000307458116 352609502 /nfs/dbraw/zinc/60/95/02/352609502.db2.gz ABYWHWGCWZUKEV-SVGQVSJJSA-N 1 2 215.347 1.960 10 0 BDAELO COc1nc(-n2cc[nH+]c2)c(C=O)s1 ZINC000307640036 352726665 /nfs/dbraw/zinc/72/66/65/352726665.db2.gz GHTOPGFJHIPGFP-UHFFFAOYSA-N 1 2 209.230 1.150 10 0 BDAELO CC(C)(C)[C@H]1CCCC[C@]1([NH3+])c1nn[nH]n1 ZINC000040397081 187944973 /nfs/dbraw/zinc/94/49/73/187944973.db2.gz RPEGJXPMLUJXFA-LDYMZIIASA-N 1 2 223.324 1.590 10 0 BDAELO C[C@]1(C[NH2+]N2CCOCC2)CCCS1 ZINC000306679119 353033874 /nfs/dbraw/zinc/03/38/74/353033874.db2.gz BXXGRQFWSIWWSE-SNVBAGLBSA-N 1 2 216.350 1.109 10 0 BDAELO CCn1cnc([C@@H]([NH3+])c2cscn2)c1 ZINC000307706753 353099351 /nfs/dbraw/zinc/09/93/51/353099351.db2.gz YESOZWPNBZPYIN-SECBINFHSA-N 1 2 208.290 1.408 10 0 BDAELO COc1cnc(C[NH+]2CCCC2)nc1Cl ZINC000307737768 353122011 /nfs/dbraw/zinc/12/20/11/353122011.db2.gz VGWKNWUNBHYJFL-UHFFFAOYSA-N 1 2 227.695 1.734 10 0 BDAELO Cc1[nH]ncc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000134548329 538112899 /nfs/dbraw/zinc/11/28/99/538112899.db2.gz MUYXIUVXCXNVQV-XRNSZHNASA-N 1 2 223.320 1.936 10 0 BDAELO C[C@H](CC1CCC1)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000638997093 353243201 /nfs/dbraw/zinc/24/32/01/353243201.db2.gz QADBJFJRBLOUOM-PSASIEDQSA-N 1 2 246.301 1.679 10 0 BDAELO CC(C)COCCNc1nc[nH+]c(N)c1Cl ZINC000232754251 353768220 /nfs/dbraw/zinc/76/82/20/353768220.db2.gz UYQXFOOLPJAELW-UHFFFAOYSA-N 1 2 244.726 1.797 10 0 BDAELO CC(C)COCCNc1[nH+]cnc(N)c1Cl ZINC000232754251 353768221 /nfs/dbraw/zinc/76/82/21/353768221.db2.gz UYQXFOOLPJAELW-UHFFFAOYSA-N 1 2 244.726 1.797 10 0 BDAELO Fc1cccc2c1[C@H]([NH2+]C1COC1)CO2 ZINC000308903882 181008351 /nfs/dbraw/zinc/00/83/51/181008351.db2.gz CUIQUBLIUWJKNY-SECBINFHSA-N 1 2 209.220 1.248 10 0 BDAELO CCCc1nsc(N[C@@H]2CC[N@H+](CC)C2)n1 ZINC000389380448 355992807 /nfs/dbraw/zinc/99/28/07/355992807.db2.gz HXTJIJLJPXGFAO-SECBINFHSA-N 1 2 240.376 1.419 10 0 BDAELO CCCc1nsc(N[C@@H]2CC[N@@H+](CC)C2)n1 ZINC000389380448 355992809 /nfs/dbraw/zinc/99/28/09/355992809.db2.gz HXTJIJLJPXGFAO-SECBINFHSA-N 1 2 240.376 1.419 10 0 BDAELO NC(=O)Nc1cccc(NCc2c[nH+]c[nH]2)c1 ZINC000054764901 181262840 /nfs/dbraw/zinc/26/28/40/181262840.db2.gz XBPLJWWKMHSXNZ-UHFFFAOYSA-N 1 2 231.259 1.512 10 0 BDAELO NC(=O)Nc1cccc(NCc2c[nH]c[nH+]2)c1 ZINC000054764901 181262842 /nfs/dbraw/zinc/26/28/42/181262842.db2.gz XBPLJWWKMHSXNZ-UHFFFAOYSA-N 1 2 231.259 1.512 10 0 BDAELO Cc1cc(C)cc([C@@H]2CNC(=O)C[NH2+]2)c1 ZINC000675069577 538498101 /nfs/dbraw/zinc/49/81/01/538498101.db2.gz IOOKCGNVYOBADE-NSHDSACASA-N 1 2 204.273 1.064 10 0 BDAELO CC[C@H]1[NH2+]CN(C[C@@H]2CCCS2)C1=O ZINC000130002977 357131107 /nfs/dbraw/zinc/13/11/07/357131107.db2.gz MXMGWBOHLSRHFP-DTWKUNHWSA-N 1 2 214.334 1.050 10 0 BDAELO CCCCOC(=O)C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000233063915 357694079 /nfs/dbraw/zinc/69/40/79/357694079.db2.gz HZPIEMOFLIIMOP-AAEUAGOBSA-N 1 2 241.331 1.487 10 0 BDAELO CCOC(=O)CC[C@H]1CNc2cc(N)c[nH+]c2C1 ZINC000584615770 358280610 /nfs/dbraw/zinc/28/06/10/358280610.db2.gz DILMCFPPCKSJIS-SECBINFHSA-N 1 2 249.314 1.591 10 0 BDAELO Cl/C=C/CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173940603 134277165 /nfs/dbraw/zinc/27/71/65/134277165.db2.gz BLWWVCBHCOBXLC-JHSHHRBUSA-N 1 2 230.739 1.145 10 0 BDAELO C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1nncn1C ZINC000130569432 358632553 /nfs/dbraw/zinc/63/25/53/358632553.db2.gz NZUQIFAYUSJXOA-GARJFASQSA-N 1 2 249.362 1.091 10 0 BDAELO Cc1cc([C@H]([NH3+])c2cnns2)sn1 ZINC000306179889 358990481 /nfs/dbraw/zinc/99/04/81/358990481.db2.gz IUWBSBONFYWGLX-ZETCQYMHSA-N 1 2 212.303 1.351 10 0 BDAELO Cc1cc(F)ccc1NC(=O)[C@H]1COCC[NH2+]1 ZINC000088357770 359948776 /nfs/dbraw/zinc/94/87/76/359948776.db2.gz UATBCLSLYBDPNN-LLVKDONJSA-N 1 2 238.262 1.061 10 0 BDAELO CCCc1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC000088357939 359948908 /nfs/dbraw/zinc/94/89/08/359948908.db2.gz YLGOIVWANWTZCW-ZDUSSCGKSA-N 1 2 248.326 1.566 10 0 BDAELO NC(=O)[C@H]1CC[N@H+](Cc2csc(Cl)n2)C1 ZINC000306462706 360069912 /nfs/dbraw/zinc/06/99/12/360069912.db2.gz HVLBWRPORFTYRN-LURJTMIESA-N 1 2 245.735 1.104 10 0 BDAELO NC(=O)[C@H]1CC[N@@H+](Cc2csc(Cl)n2)C1 ZINC000306462706 360069915 /nfs/dbraw/zinc/06/99/15/360069915.db2.gz HVLBWRPORFTYRN-LURJTMIESA-N 1 2 245.735 1.104 10 0 BDAELO COc1ncc([C@H]([NH3+])c2cnsn2)s1 ZINC000306496362 360224181 /nfs/dbraw/zinc/22/41/81/360224181.db2.gz XMEMOIASTDEGIR-ZCFIWIBFSA-N 1 2 228.302 1.051 10 0 BDAELO COc1ncccc1C[NH+]1CC(O)(C2CC2)C1 ZINC000095010339 360329993 /nfs/dbraw/zinc/32/99/93/360329993.db2.gz QETGTYGKBXCNIB-UHFFFAOYSA-N 1 2 234.299 1.047 10 0 BDAELO Cc1nnsc1[C@@H]([NH3+])c1ccsn1 ZINC000306544010 360413577 /nfs/dbraw/zinc/41/35/77/360413577.db2.gz XHZNJFQVTHTCSV-LURJTMIESA-N 1 2 212.303 1.351 10 0 BDAELO NC(=S)C[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000058012172 181316397 /nfs/dbraw/zinc/31/63/97/181316397.db2.gz YAKAOQHCABCYHG-UHFFFAOYSA-N 1 2 226.732 1.942 10 0 BDAELO NC(=S)C[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000058012172 181316398 /nfs/dbraw/zinc/31/63/98/181316398.db2.gz YAKAOQHCABCYHG-UHFFFAOYSA-N 1 2 226.732 1.942 10 0 BDAELO [NH3+][C@H](c1ncon1)c1cc(F)ccc1F ZINC000036761920 361397497 /nfs/dbraw/zinc/39/74/97/361397497.db2.gz DISKZNXKGMSJOK-QMMMGPOBSA-N 1 2 211.171 1.396 10 0 BDAELO CSCc1nc([C@H]2CCCC[NH2+]2)no1 ZINC000070190625 361478992 /nfs/dbraw/zinc/47/89/92/361478992.db2.gz IXMOECLKMJIYKT-SSDOTTSWSA-N 1 2 213.306 1.747 10 0 BDAELO CCCc1nsc(N[C@@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000630532978 364223481 /nfs/dbraw/zinc/22/34/81/364223481.db2.gz MECAXJNZOCYIGO-RKDXNWHRSA-N 1 2 240.376 1.465 10 0 BDAELO C[C@@H]1CC[N@H+](Cc2nc(C3CC3)no2)C[C@H]1O ZINC000299910285 364819957 /nfs/dbraw/zinc/81/99/57/364819957.db2.gz ZADGTISQLBAQQN-PSASIEDQSA-N 1 2 237.303 1.150 10 0 BDAELO C[C@@H]1CC[N@@H+](Cc2nc(C3CC3)no2)C[C@H]1O ZINC000299910285 364819964 /nfs/dbraw/zinc/81/99/64/364819964.db2.gz ZADGTISQLBAQQN-PSASIEDQSA-N 1 2 237.303 1.150 10 0 BDAELO [NH3+]CC[NH2+]Cc1ccc(Br)s1 ZINC000037712563 181397461 /nfs/dbraw/zinc/39/74/61/181397461.db2.gz XEPNUTALTHKBTB-UHFFFAOYSA-N 1 2 235.150 1.559 10 0 BDAELO CC(=O)NC[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000225477127 370819868 /nfs/dbraw/zinc/81/98/68/370819868.db2.gz CXDPAYHFBSDBRL-KBPBESRZSA-N 1 2 248.326 1.194 10 0 BDAELO CC(=O)NC[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000225477127 370819874 /nfs/dbraw/zinc/81/98/74/370819874.db2.gz CXDPAYHFBSDBRL-KBPBESRZSA-N 1 2 248.326 1.194 10 0 BDAELO CCCCN1C[C@H](c2ccccc2)[NH2+]CC1=O ZINC000201722948 368353590 /nfs/dbraw/zinc/35/35/90/368353590.db2.gz PXYNFZACKHPZMP-CYBMUJFWSA-N 1 2 232.327 1.960 10 0 BDAELO Cc1nc(N[C@@H]2CCC[C@H](O)C2)cc[nH+]1 ZINC000389967687 371183773 /nfs/dbraw/zinc/18/37/73/371183773.db2.gz YENMRKNLLNFZEB-ZJUUUORDSA-N 1 2 207.277 1.500 10 0 BDAELO Nc1ccccc1-c1n[nH]c(Cn2cc[nH+]c2)n1 ZINC000040175764 181751540 /nfs/dbraw/zinc/75/15/40/181751540.db2.gz WONWYMIZYOVXFR-UHFFFAOYSA-N 1 2 240.270 1.299 10 0 BDAELO Cc1cc(C(=O)[C@H]2COCC[NH2+]2)cs1 ZINC000226433102 371667352 /nfs/dbraw/zinc/66/73/52/371667352.db2.gz QMINGAUUDTYYPZ-SECBINFHSA-N 1 2 211.286 1.228 10 0 BDAELO C[C@@H]1C[NH2+][C@@H](c2c(Cl)cnn2C)S1 ZINC000307592481 372129774 /nfs/dbraw/zinc/12/97/74/372129774.db2.gz FFORMJLOSHXOAR-SVGQVSJJSA-N 1 2 217.725 1.797 10 0 BDAELO O=C(N1CC[N@@H+]2CCCC[C@@H]2C1)C(F)(F)F ZINC000112022592 182080783 /nfs/dbraw/zinc/08/07/83/182080783.db2.gz COLDNFPMNDASKL-MRVPVSSYSA-N 1 2 236.237 1.245 10 0 BDAELO O=C(N1CC[N@H+]2CCCC[C@@H]2C1)C(F)(F)F ZINC000112022592 182080787 /nfs/dbraw/zinc/08/07/87/182080787.db2.gz COLDNFPMNDASKL-MRVPVSSYSA-N 1 2 236.237 1.245 10 0 BDAELO O=[S@@]1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000070674735 374175358 /nfs/dbraw/zinc/17/53/58/374175358.db2.gz XRDSCOASSRMAHC-HZMBPMFUSA-N 1 2 229.732 1.733 10 0 BDAELO CCOC(=O)[C@H](CCO[C@H](C)CC)[NH2+]C1CC1 ZINC000062595361 170273148 /nfs/dbraw/zinc/27/31/48/170273148.db2.gz QZSXAOVTTIICOK-PWSUYJOCSA-N 1 2 243.347 1.875 10 0 BDAELO CCCC[C@H]([NH2+][C@H]1CCO[C@H]1C)C(=O)OC ZINC000300006795 169012751 /nfs/dbraw/zinc/01/27/51/169012751.db2.gz 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231.303 1.480 10 0 BDAELO [NH3+][C@H](CCC(=O)[O-])c1[nH+]ccc2[nH]ccc21 ZINC000089220717 383950074 /nfs/dbraw/zinc/95/00/74/383950074.db2.gz XPUVVXXALRTTAD-MRVPVSSYSA-N 1 2 219.244 1.428 10 0 BDAELO CC(=O)c1ccc(-n2c[nH+]c(C)c2)nc1 ZINC000039104959 384103002 /nfs/dbraw/zinc/10/30/02/384103002.db2.gz AKVFGYABFRPYER-UHFFFAOYSA-N 1 2 201.229 1.778 10 0 BDAELO C[C@@H]1Oc2ccccc2C(=O)[C@H]1[NH+](C)C ZINC000039105372 384104298 /nfs/dbraw/zinc/10/42/98/384104298.db2.gz OLUMTVYVDWSSJK-KWQFWETISA-N 1 2 205.257 1.580 10 0 BDAELO COC[C@@H](F)[C@H]([NH3+])C(=O)c1ccccc1 ZINC000039134967 384109575 /nfs/dbraw/zinc/10/95/75/384109575.db2.gz AQPXAKIJFVZFKU-ZJUUUORDSA-N 1 2 211.236 1.181 10 0 BDAELO C[NH+](C)CC(=O)c1ccc2cc[nH]c2c1 ZINC000006737072 384166110 /nfs/dbraw/zinc/16/61/10/384166110.db2.gz FKGJEEUXEZMTRK-UHFFFAOYSA-N 1 2 202.257 1.912 10 0 BDAELO CNc1snnc1C[N@@H+]1CC[C@H](C)C1 ZINC000050814662 384234049 /nfs/dbraw/zinc/23/40/49/384234049.db2.gz MUJJQBVCZZTTJN-ZETCQYMHSA-N 1 2 212.322 1.422 10 0 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ZINC000045476705 170253333 /nfs/dbraw/zinc/25/33/33/170253333.db2.gz SYVVMERLRFOUJG-NSHDSACASA-N 1 2 223.272 1.264 10 0 BDAELO CCOC(=O)[C@@H]([NH3+])c1cc(C)cc(C)c1 ZINC000049808728 170254083 /nfs/dbraw/zinc/25/40/83/170254083.db2.gz AFBJYQFNZQHEIM-NSHDSACASA-N 1 2 207.273 1.866 10 0 BDAELO CCOC(=O)[C@@H]([NH3+])c1ccc(F)c(F)c1 ZINC000037459945 170254608 /nfs/dbraw/zinc/25/46/08/170254608.db2.gz UTEJODGDNPSEIJ-VIFPVBQESA-N 1 2 215.199 1.528 10 0 BDAELO CCOC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000033787783 170254766 /nfs/dbraw/zinc/25/47/66/170254766.db2.gz JFLGCPZSHNZKDX-VIFPVBQESA-N 1 2 213.664 1.903 10 0 BDAELO CCOC(=O)[C@@H]([NH3+])c1ccc(OCC)cc1 ZINC000037459961 170254946 /nfs/dbraw/zinc/25/49/46/170254946.db2.gz ZQPUPTSRXNKNOX-NSHDSACASA-N 1 2 223.272 1.648 10 0 BDAELO CCOC(=O)[C@@H]([NH3+])c1ccccc1OC ZINC000033403812 170255039 /nfs/dbraw/zinc/25/50/39/170255039.db2.gz KTCGUJPDEROXJN-JTQLQIEISA-N 1 2 209.245 1.258 10 0 BDAELO CCOC(=O)[C@H]([NH3+])c1ccc(F)cc1C ZINC000050579877 170276423 /nfs/dbraw/zinc/27/64/23/170276423.db2.gz MAKBKMPUKCVNIU-SNVBAGLBSA-N 1 2 211.236 1.697 10 0 BDAELO CCOC(=O)c1n[nH]c([C@@H]([NH3+])CC(C)C)n1 ZINC000085443458 170307884 /nfs/dbraw/zinc/30/78/84/170307884.db2.gz NEGRNXARMXLAPK-ZETCQYMHSA-N 1 2 226.280 1.027 10 0 BDAELO CC1(C)CC(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000662947220 412350691 /nfs/dbraw/zinc/35/06/91/412350691.db2.gz KMYGGSLPEDHKDT-QMMMGPOBSA-N 1 2 232.274 1.288 10 0 BDAELO CCc1nc([C@H]([NH3+])c2ccc(F)cc2F)no1 ZINC000036762623 172007433 /nfs/dbraw/zinc/00/74/33/172007433.db2.gz JGVRVMZSHBBONV-SNVBAGLBSA-N 1 2 239.225 1.958 10 0 BDAELO CCn1cc(Cn2cc[nH+]c2[C@@H]2CCOC2)cn1 ZINC000071745208 172178197 /nfs/dbraw/zinc/17/81/97/172178197.db2.gz WMMWYYHXJANZOG-GFCCVEGCSA-N 1 2 246.314 1.652 10 0 BDAELO CN1CC[NH2+][C@H](c2ccc(Cl)s2)C1=O ZINC000077360446 173098610 /nfs/dbraw/zinc/09/86/10/173098610.db2.gz SGFWTWFEBNSTMB-MRVPVSSYSA-N 1 2 230.720 1.504 10 0 BDAELO COc1cc(OC)cc([C@@H]([NH3+])c2ncon2)c1 ZINC000036762084 175010902 /nfs/dbraw/zinc/01/09/02/175010902.db2.gz SOBRCXCAYJXIDC-SNVBAGLBSA-N 1 2 235.243 1.135 10 0 BDAELO COc1cc2c(cc[nH+]c2CO)cc1O ZINC000015060523 175019191 /nfs/dbraw/zinc/01/91/91/175019191.db2.gz MSWVQIVIMVMWFW-UHFFFAOYSA-N 1 2 205.213 1.441 10 0 BDAELO COc1ccc(CNc2n[nH+]ccc2N)cc1 ZINC000211613941 175113475 /nfs/dbraw/zinc/11/34/75/175113475.db2.gz LQEBGZCBNXDAHC-UHFFFAOYSA-N 1 2 230.271 1.680 10 0 BDAELO COc1ccc2c(c1)C(=O)[C@@H](n1cc[nH+]c1)CO2 ZINC000027332410 175207136 /nfs/dbraw/zinc/20/71/36/175207136.db2.gz OYHQUWIMCMXLHH-NSHDSACASA-N 1 2 244.250 1.708 10 0 BDAELO COc1ccc2oc([C@H]3COCC[NH2+]3)nc2c1 ZINC000083103320 175232258 /nfs/dbraw/zinc/23/22/58/175232258.db2.gz RMKKWTMIJRMDNP-SNVBAGLBSA-N 1 2 234.255 1.497 10 0 BDAELO COc1cccc(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000104111063 175280048 /nfs/dbraw/zinc/28/00/48/175280048.db2.gz ZRYWJJILZAOJHO-SNVBAGLBSA-N 1 2 232.287 1.787 10 0 BDAELO COc1cccc(Nc2nc[nH+]c(N)c2N)c1 ZINC000040687965 175281174 /nfs/dbraw/zinc/28/11/74/175281174.db2.gz NCFBJARZSVMNLT-UHFFFAOYSA-N 1 2 231.259 1.393 10 0 BDAELO COc1cccc(Nc2[nH+]cnc(N)c2N)c1 ZINC000040687965 175281176 /nfs/dbraw/zinc/28/11/76/175281176.db2.gz NCFBJARZSVMNLT-UHFFFAOYSA-N 1 2 231.259 1.393 10 0 BDAELO C[C@@H](Nc1ccc([NH+](C)C)cc1)C(=O)NC1CC1 ZINC000035164371 175930277 /nfs/dbraw/zinc/93/02/77/175930277.db2.gz JLEOMQYFSHOIID-SNVBAGLBSA-N 1 2 247.342 1.832 10 0 BDAELO C[C@H](O)[C@@H]([NH3+])c1nc(C2CCCC2)no1 ZINC000037756503 177006431 /nfs/dbraw/zinc/00/64/31/177006431.db2.gz SJSXWAGNMFVGGH-POYBYMJQSA-N 1 2 211.265 1.108 10 0 BDAELO C[C@H](O)[C@H]([NH3+])c1nc(COc2ccccc2)no1 ZINC000054436092 177014286 /nfs/dbraw/zinc/01/42/86/177014286.db2.gz IVFYPRZBUQLGRS-KWQFWETISA-N 1 2 249.270 1.029 10 0 BDAELO C[C@H](Oc1ccc[nH+]c1N)C(=O)NC(C)(C)C ZINC000034957951 177024999 /nfs/dbraw/zinc/02/49/99/177024999.db2.gz MKYMNDAQFXOGGC-QMMMGPOBSA-N 1 2 237.303 1.346 10 0 BDAELO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1nnsc1N ZINC000050814422 177103898 /nfs/dbraw/zinc/10/38/98/177103898.db2.gz 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136273124 /nfs/dbraw/zinc/27/31/24/136273124.db2.gz DCXRUSPYSFTETR-JTQLQIEISA-N 1 2 245.286 1.470 10 0 BDAELO CC(C)(C)[C@@H]1CCCC[C@]1([NH3+])c1nn[nH]n1 ZINC000040397079 187263373 /nfs/dbraw/zinc/26/33/73/187263373.db2.gz RPEGJXPMLUJXFA-GZMMTYOYSA-N 1 2 223.324 1.590 10 0 BDAELO CC(C)(C)c1ccc([C@@H]2[NH2+]CCNC2=O)cc1 ZINC000041259429 187265090 /nfs/dbraw/zinc/26/50/90/187265090.db2.gz LMKUUAACIFCGJQ-LBPRGKRZSA-N 1 2 232.327 1.745 10 0 BDAELO COCc1cc(NN)[nH+]c(-c2cccs2)n1 ZINC000051700535 187270932 /nfs/dbraw/zinc/27/09/32/187270932.db2.gz SXOWHUYCKNFSJP-UHFFFAOYSA-N 1 2 236.300 1.637 10 0 BDAELO CC(C)(CO)c1[nH]c2cc3c(cc2[nH+]1)OCCO3 ZINC000054701366 187272324 /nfs/dbraw/zinc/27/23/24/187272324.db2.gz OTCPDRZSQHMOAN-UHFFFAOYSA-N 1 2 248.282 1.604 10 0 BDAELO COc1ccc[nH+]c1NC1CC(CO)C1 ZINC000624411096 343763786 /nfs/dbraw/zinc/76/37/86/343763786.db2.gz VBILWGQABNCDSR-UHFFFAOYSA-N 1 2 208.261 1.273 10 0 BDAELO CC(C)(C)n1c2ccc(N)cc2[nH+]c1CO ZINC000053735954 187271876 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COC(=O)[C@@H](C)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195513346 387922281 /nfs/dbraw/zinc/92/22/81/387922281.db2.gz AVGGODBHQZNKRU-SECBINFHSA-N 1 2 237.303 1.151 10 0 BDAELO Cc1n[nH]c(S[C@H]2CCC[C@H]2C[NH3+])n1 ZINC000041062605 388019895 /nfs/dbraw/zinc/01/98/95/388019895.db2.gz WQTIQRBWGXYMCH-YUMQZZPRSA-N 1 2 212.322 1.333 10 0 BDAELO CC[NH2+][C@H](C)CNc1nc([C@@H](C)OC)ns1 ZINC000387442142 388581699 /nfs/dbraw/zinc/58/16/99/388581699.db2.gz KVVIFSDGNLBBPG-HTQZYQBOSA-N 1 2 244.364 1.077 10 0 BDAELO CNc1cc(-c2ccc(OC)nc2)[nH+]c(N)n1 ZINC000223252622 388584612 /nfs/dbraw/zinc/58/46/12/388584612.db2.gz GMFXYJCQTZEXEJ-UHFFFAOYSA-N 1 2 231.259 1.171 10 0 BDAELO C[C@H]1COC[C@H](C)[NH+]1CCOCC(F)F ZINC000189377065 388631516 /nfs/dbraw/zinc/63/15/16/388631516.db2.gz OGCMQOUDSMXISP-IUCAKERBSA-N 1 2 223.263 1.377 10 0 BDAELO C[N@@H+]1CC[C@@H](c2nsc(Br)n2)C1 ZINC000575468125 388840579 /nfs/dbraw/zinc/84/05/79/388840579.db2.gz WMPDXEVGWNKSFP-RXMQYKEDSA-N 1 2 248.149 1.720 10 0 BDAELO C[N@H+]1CC[C@@H](c2nsc(Br)n2)C1 ZINC000575468125 388840582 /nfs/dbraw/zinc/84/05/82/388840582.db2.gz WMPDXEVGWNKSFP-RXMQYKEDSA-N 1 2 248.149 1.720 10 0 BDAELO CC1CCN(c2nc[nH+]c(N(C)C)c2N)CC1 ZINC000040723416 132348544 /nfs/dbraw/zinc/34/85/44/132348544.db2.gz ZPNQRKFNNBCDHG-UHFFFAOYSA-N 1 2 235.335 1.361 10 0 BDAELO CC1CCN(c2[nH+]cnc(N(C)C)c2N)CC1 ZINC000040723416 132348545 /nfs/dbraw/zinc/34/85/45/132348545.db2.gz ZPNQRKFNNBCDHG-UHFFFAOYSA-N 1 2 235.335 1.361 10 0 BDAELO Cc1c(N)cccc1[N@@H+]1CCC[C@@H](CO)C1 ZINC000062724769 132388554 /nfs/dbraw/zinc/38/85/54/132388554.db2.gz XFXIKPVDDMBASF-LLVKDONJSA-N 1 2 220.316 1.786 10 0 BDAELO Cc1c(N)cccc1[N@H+]1CCC[C@@H](CO)C1 ZINC000062724769 132388556 /nfs/dbraw/zinc/38/85/56/132388556.db2.gz XFXIKPVDDMBASF-LLVKDONJSA-N 1 2 220.316 1.786 10 0 BDAELO COC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCO[C@H]1C ZINC000134383541 134762034 /nfs/dbraw/zinc/76/20/34/134762034.db2.gz SABJTDJAXHWLDK-AXFHLTTASA-N 1 2 229.320 1.341 10 0 BDAELO 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CCC[C@@H]1C[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657383688 411489566 /nfs/dbraw/zinc/48/95/66/411489566.db2.gz IZKQIFDHSMBCGG-NXEZZACHSA-N 1 2 237.351 1.706 10 0 BDAELO CC[N@@H+]1C[C@H]([NH2+]C[C@@H]2CCSC2)[C@@H](C)C1 ZINC000336761635 170035790 /nfs/dbraw/zinc/03/57/90/170035790.db2.gz MWAUFLFAXRKJJG-SRVKXCTJSA-N 1 2 228.405 1.669 10 0 BDAELO CC[N@H+]1C[C@H](NCc2snnc2C)[C@@H](C)C1 ZINC000309678425 170036661 /nfs/dbraw/zinc/03/66/61/170036661.db2.gz YSJNCSVZDDLPOO-WPRPVWTQSA-N 1 2 240.376 1.276 10 0 BDAELO CC[N@@H+]1C[C@H](NCc2snnc2C)[C@@H](C)C1 ZINC000309678425 170036662 /nfs/dbraw/zinc/03/66/62/170036662.db2.gz YSJNCSVZDDLPOO-WPRPVWTQSA-N 1 2 240.376 1.276 10 0 BDAELO CC[NH2+][C@@](C)(C(N)=O)c1c(F)cccc1F ZINC000037447630 170154727 /nfs/dbraw/zinc/15/47/27/170154727.db2.gz ASGKBVZISOAZQI-LLVKDONJSA-N 1 2 228.242 1.275 10 0 BDAELO CCOC(=O)C[NH2+]CCc1cccc(F)c1 ZINC000035140515 170225174 /nfs/dbraw/zinc/22/51/74/170225174.db2.gz FJFYOTLNFZDVCO-UHFFFAOYSA-N 1 2 225.263 1.521 10 0 BDAELO CCOC(=O)CNc1ccc2[nH+]cccc2c1N ZINC000037563468 170227811 /nfs/dbraw/zinc/22/78/11/170227811.db2.gz GEAOALBSRXDSET-UHFFFAOYSA-N 1 2 245.282 1.792 10 0 BDAELO CCOC(=O)[C@@H]([NH3+])c1ccc(OC)c(F)c1 ZINC000076134560 170255042 /nfs/dbraw/zinc/25/50/42/170255042.db2.gz IJNXURUYPARBDD-JTQLQIEISA-N 1 2 227.235 1.397 10 0 BDAELO CCOC(=O)[C@H]([NH3+])c1ccc(C)cc1C ZINC000033581001 170276899 /nfs/dbraw/zinc/27/68/99/170276899.db2.gz RSAKLRLLPKFQTE-LLVKDONJSA-N 1 2 207.273 1.866 10 0 BDAELO CCOC(=O)[C@](C)([NH3+])c1cccc(O)c1 ZINC000037459900 170283525 /nfs/dbraw/zinc/28/35/25/170283525.db2.gz UZWUPAOYZQAVFH-LLVKDONJSA-N 1 2 209.245 1.129 10 0 BDAELO CCOC(=O)[C@](C)([NH3+])c1ccccc1F ZINC000037459910 170284004 /nfs/dbraw/zinc/28/40/04/170284004.db2.gz AWTVLFOLCDRVIU-LLVKDONJSA-N 1 2 211.236 1.563 10 0 BDAELO Cc1nnc(C[N@H+]2CCC[C@H](O)[C@H]2C)s1 ZINC000660692753 411617803 /nfs/dbraw/zinc/61/78/03/411617803.db2.gz ROBBQIWSCMSCDG-APPZFPTMSA-N 1 2 227.333 1.192 10 0 BDAELO Cc1nnc(C[N@@H+]2CCC[C@H](O)[C@H]2C)s1 ZINC000660692753 411617804 /nfs/dbraw/zinc/61/78/04/411617804.db2.gz ROBBQIWSCMSCDG-APPZFPTMSA-N 1 2 227.333 1.192 10 0 BDAELO CC1CN(c2nc(N)[nH+]cc2Br)C1 ZINC000575521897 411887494 /nfs/dbraw/zinc/88/74/94/411887494.db2.gz RIUKOPXKOINBKJ-UHFFFAOYSA-N 1 2 243.108 1.277 10 0 BDAELO COc1cc2nc(C)[nH+]c(N)c2c(OC)c1 ZINC000527435249 411912530 /nfs/dbraw/zinc/91/25/30/411912530.db2.gz PEONOLDCBGBXHC-UHFFFAOYSA-N 1 2 219.244 1.538 10 0 BDAELO CC[C@H](C)C[N@@H+]1CCO[C@@H](c2noc(C)n2)C1 ZINC000363626079 171281780 /nfs/dbraw/zinc/28/17/80/171281780.db2.gz HDRLYPJEYIIFSS-GXSJLCMTSA-N 1 2 239.319 1.797 10 0 BDAELO CC[C@H](C)C[N@H+]1CCO[C@@H](c2noc(C)n2)C1 ZINC000363626079 171281782 /nfs/dbraw/zinc/28/17/82/171281782.db2.gz HDRLYPJEYIIFSS-GXSJLCMTSA-N 1 2 239.319 1.797 10 0 BDAELO CC(C)(F)CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000662663188 412262439 /nfs/dbraw/zinc/26/24/39/412262439.db2.gz MCRZGPPVCLSLDM-SSDOTTSWSA-N 1 2 238.253 1.238 10 0 BDAELO CCc1nc([C@@H]([NH3+])c2cccnc2)no1 ZINC000036763062 172004711 /nfs/dbraw/zinc/00/47/11/172004711.db2.gz JORPAVOGAARPLT-VIFPVBQESA-N 1 2 204.233 1.075 10 0 BDAELO CCc1[nH+]cc(-c2ccnc(N)n2)n1C ZINC000039100893 172015216 /nfs/dbraw/zinc/01/52/16/172015216.db2.gz ZXVIBHPNBKNBPR-UHFFFAOYSA-N 1 2 203.249 1.022 10 0 BDAELO CCc1nnc(C[NH+]2CCCCC2)n1C ZINC000336342838 172047849 /nfs/dbraw/zinc/04/78/49/172047849.db2.gz OIZWRDOYIMAYQS-UHFFFAOYSA-N 1 2 208.309 1.363 10 0 BDAELO CCc1noc([C@](C)([NH3+])c2ccccc2)n1 ZINC000052879388 172092210 /nfs/dbraw/zinc/09/22/10/172092210.db2.gz AOKJHEZWOVLEBF-GFCCVEGCSA-N 1 2 217.272 1.854 10 0 BDAELO CCn1cc(NCc2c[nH+]c[nH]2)ccc1=O ZINC000054765043 172185842 /nfs/dbraw/zinc/18/58/42/172185842.db2.gz QVPJYMAZFRUBOW-UHFFFAOYSA-N 1 2 218.260 1.203 10 0 BDAELO CCn1cc(NCc2c[nH]c[nH+]2)ccc1=O ZINC000054765043 172185844 /nfs/dbraw/zinc/18/58/44/172185844.db2.gz QVPJYMAZFRUBOW-UHFFFAOYSA-N 1 2 218.260 1.203 10 0 BDAELO CCn1cc([C@H]2C[N@H+](CCCF)CCO2)cn1 ZINC000190792461 172198606 /nfs/dbraw/zinc/19/86/06/172198606.db2.gz LJGRJHXYMCHLKM-GFCCVEGCSA-N 1 2 241.310 1.636 10 0 BDAELO CCn1cc([C@H]2C[N@@H+](CCCF)CCO2)cn1 ZINC000190792461 172198611 /nfs/dbraw/zinc/19/86/11/172198611.db2.gz LJGRJHXYMCHLKM-GFCCVEGCSA-N 1 2 241.310 1.636 10 0 BDAELO CCn1ccnc1C[NH2+]Cc1ccnc(C)n1 ZINC000051923955 172224891 /nfs/dbraw/zinc/22/48/91/172224891.db2.gz ZEUCQDGTNFUEFX-UHFFFAOYSA-N 1 2 231.303 1.291 10 0 BDAELO CCn1ccnc1[C@@H]([NH3+])c1occc1C ZINC000041048461 172228886 /nfs/dbraw/zinc/22/88/86/172228886.db2.gz BXXYACRRXLZNAB-VIFPVBQESA-N 1 2 205.261 1.853 10 0 BDAELO CNC(=O)[C@@H](C)Nc1ccc([NH+]2CCCC2)cc1 ZINC000058551668 173295519 /nfs/dbraw/zinc/29/55/19/173295519.db2.gz IDLKSPDHJKKIJV-LLVKDONJSA-N 1 2 247.342 1.833 10 0 BDAELO CNC(=O)[C@@H]1CCCN1c1ccc([NH3+])cc1C ZINC000058945859 173299159 /nfs/dbraw/zinc/29/91/59/173299159.db2.gz PUQZZRXTMDQLJA-LBPRGKRZSA-N 1 2 233.315 1.292 10 0 BDAELO C[NH2+]CC(=O)OCCc1c(C)[nH]c2ccccc21 ZINC000077402148 173334830 /nfs/dbraw/zinc/33/48/30/173334830.db2.gz WIMNFQODGWVEMQ-UHFFFAOYSA-N 1 2 246.310 1.781 10 0 BDAELO COC(=O)[C@](C)([NH3+])c1ccc(OC)c(F)c1 ZINC000037459719 173833209 /nfs/dbraw/zinc/83/32/09/173833209.db2.gz YZEVYMZVSBQWQE-LLVKDONJSA-N 1 2 227.235 1.181 10 0 BDAELO COC1CC[NH+](CC(=O)c2ccc(O)cc2)CC1 ZINC000035053548 174029222 /nfs/dbraw/zinc/02/92/22/174029222.db2.gz QEEZOHLVBHNIAL-UHFFFAOYSA-N 1 2 249.310 1.686 10 0 BDAELO COc1cc(OC2CC2)cc(N(C)C)[nH+]1 ZINC000095730215 175012395 /nfs/dbraw/zinc/01/23/95/175012395.db2.gz BMLVYOKDGAXXMP-UHFFFAOYSA-N 1 2 208.261 1.697 10 0 BDAELO COc1ccc(C(=O)C[NH+]2CCCC2)cc1OC ZINC000010495463 175054317 /nfs/dbraw/zinc/05/43/17/175054317.db2.gz JUOUOYAGXCRTOC-UHFFFAOYSA-N 1 2 249.310 1.982 10 0 BDAELO COc1ccc(F)c([C@@H]2COCC[NH2+]2)c1 ZINC000076136551 175126929 /nfs/dbraw/zinc/12/69/29/175126929.db2.gz URJWHINRQFLYMH-NSHDSACASA-N 1 2 211.236 1.495 10 0 BDAELO COc1cccc([C@H](O)Cn2cc[nH+]c2)c1 ZINC000041231077 175294871 /nfs/dbraw/zinc/29/48/71/175294871.db2.gz ZNGYXSIGEPUIMZ-GFCCVEGCSA-N 1 2 218.256 1.625 10 0 BDAELO COc1cccc([C@H]([NH3+])c2ncon2)c1 ZINC000036762056 175294960 /nfs/dbraw/zinc/29/49/60/175294960.db2.gz MCHPPWKZZQJQEP-VIFPVBQESA-N 1 2 205.217 1.126 10 0 BDAELO COc1ccccc1-c1cc(N)nc(N)[nH+]1 ZINC000044263031 175308884 /nfs/dbraw/zinc/30/88/84/175308884.db2.gz KRDYLUIPDUGPLC-UHFFFAOYSA-N 1 2 216.244 1.317 10 0 BDAELO C[C@@H]1CCC[C@]2(CSC(NCC(N)=O)=[NH+]2)C1 ZINC000053098664 176153074 /nfs/dbraw/zinc/15/30/74/176153074.db2.gz TWNSPPGSOQVZJG-LDYMZIIASA-N 1 2 241.360 1.113 10 0 BDAELO C[C@@H]1C[NH+](CN2CCCCC2=O)C[C@@H](C)O1 ZINC000033380917 176295273 /nfs/dbraw/zinc/29/52/73/176295273.db2.gz LADXOBIJTKLILR-GHMZBOCLSA-N 1 2 226.320 1.066 10 0 BDAELO C[C@H]([C@H]1COc2ccccc2O1)[NH+]1CCOCC1 ZINC000031273170 177031868 /nfs/dbraw/zinc/03/18/68/177031868.db2.gz HTGYYXDALADZAT-BXUZGUMPSA-N 1 2 249.310 1.547 10 0 BDAELO C[C@H]1CCC[N@@H+]1c1ccc(N)cc1C(N)=O ZINC000041046053 177111557 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ZINC000307581778 352659938 /nfs/dbraw/zinc/65/99/38/352659938.db2.gz SEQRJCNUZVTHNM-UHFFFAOYSA-N 1 2 209.318 1.675 10 0 BDAELO Cc1nc([C@H]([NH3+])c2ccns2)cs1 ZINC000307643636 352737186 /nfs/dbraw/zinc/73/71/86/352737186.db2.gz MBCDFJHRZMQFOS-QMMMGPOBSA-N 1 2 211.315 1.956 10 0 BDAELO Cc1cc([C@H](O)c2cn[nH]c2)c[nH+]c1C ZINC000309095045 538110394 /nfs/dbraw/zinc/11/03/94/538110394.db2.gz GHSFCMJABCXUFQ-NSHDSACASA-N 1 2 203.245 1.503 10 0 BDAELO Cc1ncccc1NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000336034290 134058943 /nfs/dbraw/zinc/05/89/43/134058943.db2.gz AYRAXQBFAUKGDF-SECBINFHSA-N 1 2 241.241 1.326 10 0 BDAELO NC(=O)C[NH2+]Cc1c(Cl)cccc1Cl ZINC000019393316 181235345 /nfs/dbraw/zinc/23/53/45/181235345.db2.gz VUMYOYIFGBAYHR-UHFFFAOYSA-N 1 2 233.098 1.568 10 0 BDAELO CC(C)(C)OC(=O)N1CCc2[nH]c[nH+]c2CC1 ZINC000146183076 356485300 /nfs/dbraw/zinc/48/53/00/356485300.db2.gz VCKUUCDWYPKSHX-UHFFFAOYSA-N 1 2 237.303 1.745 10 0 BDAELO NC(=O)c1c(Cl)cccc1-n1cc[nH+]c1 ZINC000104293100 181286039 /nfs/dbraw/zinc/28/60/39/181286039.db2.gz CKTZGAYXZNTAEO-UHFFFAOYSA-N 1 2 221.647 1.625 10 0 BDAELO C[NH2+][C@@H](Cc1ccc(F)cc1)c1ncn[nH]1 ZINC000083746578 538521487 /nfs/dbraw/zinc/52/14/87/538521487.db2.gz DPQAIBKSNKKGAZ-JTQLQIEISA-N 1 2 220.251 1.447 10 0 BDAELO Cc1ccc(Cn2cc(Cl)c(N)n2)c[nH+]1 ZINC000405709704 538600927 /nfs/dbraw/zinc/60/09/27/538600927.db2.gz BDWWZXXCIZQVNC-UHFFFAOYSA-N 1 2 222.679 1.701 10 0 BDAELO Cc1c[nH+]ccc1Cn1cncc1C=O ZINC000129898879 357030386 /nfs/dbraw/zinc/03/03/86/357030386.db2.gz UVDGGNZIYMCJLC-UHFFFAOYSA-N 1 2 201.229 1.447 10 0 BDAELO NC(=O)c1cc([NH2+]CC2CCC2)ccc1N ZINC000041670466 181291437 /nfs/dbraw/zinc/29/14/37/181291437.db2.gz IFMITHMJOHAZTD-UHFFFAOYSA-N 1 2 219.288 1.580 10 0 BDAELO CCC(F)(F)C[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000639938080 357939082 /nfs/dbraw/zinc/93/90/82/357939082.db2.gz MBZOUGNNJQABIE-RKDXNWHRSA-N 1 2 207.264 1.877 10 0 BDAELO CCC(F)(F)C[N@H+]1CC[C@@H](O)C[C@H]1C ZINC000639938080 357939084 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/nfs/dbraw/zinc/34/35/52/359343552.db2.gz JSNQFRYGPYKLIZ-UHFFFAOYSA-N 1 2 205.248 1.631 10 0 BDAELO OC1CCC([N@H+]2CCC(F)(F)C2)CC1 ZINC000306221861 359343557 /nfs/dbraw/zinc/34/35/57/359343557.db2.gz JSNQFRYGPYKLIZ-UHFFFAOYSA-N 1 2 205.248 1.631 10 0 BDAELO Cc1nc(Cl)c(NC2C[NH+](C)C2)nc1C ZINC000306449205 360016323 /nfs/dbraw/zinc/01/63/23/360016323.db2.gz ACATXQWBTYATAW-UHFFFAOYSA-N 1 2 226.711 1.473 10 0 BDAELO COc1ncc([C@@H]([NH3+])c2cnsn2)s1 ZINC000306496360 360224785 /nfs/dbraw/zinc/22/47/85/360224785.db2.gz XMEMOIASTDEGIR-LURJTMIESA-N 1 2 228.302 1.051 10 0 BDAELO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1C[C@@H]1C ZINC000171050593 361235007 /nfs/dbraw/zinc/23/50/07/361235007.db2.gz BHZNPXYKPRXFQF-JOYOIKCWSA-N 1 2 243.310 1.869 10 0 BDAELO O=[S@]1CC[NH2+][C@@H](c2cccs2)C1 ZINC000070627532 361679772 /nfs/dbraw/zinc/67/97/72/361679772.db2.gz QEMFEBZNPLUWOX-JMCQJSRRSA-N 1 2 201.316 1.141 10 0 BDAELO Nc1ccc(S[C@@H]2CCC[C@H]2O)c[nH+]1 ZINC000037690575 364529768 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/nfs/dbraw/zinc/88/57/10/371885710.db2.gz SRWXTDBQUIVNNQ-LURJTMIESA-N 1 2 215.684 1.134 10 0 BDAELO CCC1(O)C[NH+]([C@@H]2CCCCCC2=O)C1 ZINC000306681138 372054457 /nfs/dbraw/zinc/05/44/57/372054457.db2.gz NANUPJTZAVEYBP-SNVBAGLBSA-N 1 2 211.305 1.345 10 0 BDAELO O[C@@H]1CC[N@H+](Cc2coc(Br)c2)C1 ZINC000306291892 372007540 /nfs/dbraw/zinc/00/75/40/372007540.db2.gz ULCIJNQDKLNPLF-MRVPVSSYSA-N 1 2 246.104 1.609 10 0 BDAELO O[C@@H]1CC[N@@H+](Cc2coc(Br)c2)C1 ZINC000306291892 372007547 /nfs/dbraw/zinc/00/75/47/372007547.db2.gz ULCIJNQDKLNPLF-MRVPVSSYSA-N 1 2 246.104 1.609 10 0 BDAELO Clc1nccnc1NCc1c[nH+]c[nH]1 ZINC000229312924 372141823 /nfs/dbraw/zinc/14/18/23/372141823.db2.gz CXGIKZXDDVBZIZ-UHFFFAOYSA-N 1 2 209.640 1.465 10 0 BDAELO Clc1nccnc1NCc1c[nH]c[nH+]1 ZINC000229312924 372141827 /nfs/dbraw/zinc/14/18/27/372141827.db2.gz CXGIKZXDDVBZIZ-UHFFFAOYSA-N 1 2 209.640 1.465 10 0 BDAELO FC(F)c1nc([C@@H]2CCCC[NH2+]2)no1 ZINC000040557868 373497369 /nfs/dbraw/zinc/49/73/69/373497369.db2.gz NYVDMOKZRWQNFJ-YFKPBYRVSA-N 1 2 203.192 1.822 10 0 BDAELO Nc1[nH+]cccc1[C@@H](O)c1ccsc1 ZINC000069843267 373874470 /nfs/dbraw/zinc/87/44/70/373874470.db2.gz SBZKBWCBEQPGIS-VIFPVBQESA-N 1 2 206.270 1.807 10 0 BDAELO OC[C@H]1CCCN1c1[nH]c2ccccc2[nH+]1 ZINC000042434750 183152426 /nfs/dbraw/zinc/15/24/26/183152426.db2.gz XSKOKGDMCGZHRR-SECBINFHSA-N 1 2 217.272 1.524 10 0 BDAELO O=c1cc(C[NH+]2CCCCC2)nc(Cl)[nH]1 ZINC000073637714 183257088 /nfs/dbraw/zinc/25/70/88/183257088.db2.gz CMZJHDRBKSLUPD-UHFFFAOYSA-N 1 2 227.695 1.822 10 0 BDAELO CCCNC(=O)CN(C)c1ccc([NH3+])cc1C ZINC000042517418 169219647 /nfs/dbraw/zinc/21/96/47/169219647.db2.gz MTZHAHICNXTGGB-UHFFFAOYSA-N 1 2 235.331 1.540 10 0 BDAELO CCC[C@@H](C(=O)OCC)[NH+]1CC(O)(C2CC2)C1 ZINC000216714117 169347564 /nfs/dbraw/zinc/34/75/64/169347564.db2.gz JPCLWIFGPJTABJ-NSHDSACASA-N 1 2 241.331 1.175 10 0 BDAELO COC(=O)[C@H]([NH3+])c1cnn(-c2ccccc2)c1 ZINC000037514746 383983308 /nfs/dbraw/zinc/98/33/08/383983308.db2.gz RUZLNZYDZNLLCY-LLVKDONJSA-N 1 2 231.255 1.045 10 0 BDAELO COC(=O)c1ccc2[nH+]ccn2c1Cl ZINC000089202314 383943092 /nfs/dbraw/zinc/94/30/92/383943092.db2.gz RJQQOVLBSVRPLJ-UHFFFAOYSA-N 1 2 210.620 1.774 10 0 BDAELO CC[C@H]1C[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000234139370 383959832 /nfs/dbraw/zinc/95/98/32/383959832.db2.gz HVYCMWYUFNWIGN-NTSWFWBYSA-N 1 2 212.684 1.923 10 0 BDAELO CC[C@H]1C[C@H]1Nc1[nH+]cnc(N)c1Cl ZINC000234139370 383959836 /nfs/dbraw/zinc/95/98/36/383959836.db2.gz HVYCMWYUFNWIGN-NTSWFWBYSA-N 1 2 212.684 1.923 10 0 BDAELO COC(=O)[C@H]([NH3+])c1c(C)cc(C)cc1C ZINC000037459761 383976704 /nfs/dbraw/zinc/97/67/04/383976704.db2.gz DJDAFKBODCDJLO-LLVKDONJSA-N 1 2 207.273 1.785 10 0 BDAELO c1c[nH]c(C[NH2+][C@H]2COc3ccccc32)n1 ZINC000069626699 384052249 /nfs/dbraw/zinc/05/22/49/384052249.db2.gz SSANSEZGFVEWGI-JTQLQIEISA-N 1 2 215.256 1.633 10 0 BDAELO Cc1nc(N2CC(=O)N[C@H]3CCCC[C@H]32)cc[nH+]1 ZINC000268191371 384054464 /nfs/dbraw/zinc/05/44/64/384054464.db2.gz KTDNCCCKOAIJGB-WDEREUQCSA-N 1 2 246.314 1.032 10 0 BDAELO O=C(C1CCCC1)N1CCn2cc[nH+]c2C1 ZINC000074784986 384144481 /nfs/dbraw/zinc/14/44/81/384144481.db2.gz ZCKHQTAHHKGZAS-UHFFFAOYSA-N 1 2 219.288 1.416 10 0 BDAELO C[NH2+][C@H](Cc1c[nH]c2ccccc12)C(=O)OC ZINC000014593896 384271219 /nfs/dbraw/zinc/27/12/19/384271219.db2.gz RZRWZNRJBFLXSC-GFCCVEGCSA-N 1 2 232.283 1.471 10 0 biogenic,in-vitro BDAELO COC(=O)[C@H]1C[C@@H](c2ccccc2OC)CC[NH2+]1 ZINC000079026294 384480333 /nfs/dbraw/zinc/48/03/33/384480333.db2.gz FSCVLNFCDAEEKD-CMPLNLGQSA-N 1 2 249.310 1.704 10 0 BDAELO C[C@H]1CC[C@@H](C(=O)Nc2ccc[nH+]c2N(C)C)O1 ZINC000150753813 384552074 /nfs/dbraw/zinc/55/20/74/384552074.db2.gz JZDHCKGOXXZCHM-ONGXEEELSA-N 1 2 249.314 1.654 10 0 BDAELO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(Cc2ccon2)C1 ZINC000643855783 384540323 /nfs/dbraw/zinc/54/03/23/384540323.db2.gz KHISVCZRAJJODY-MNOVXSKESA-N 1 2 248.286 1.360 10 0 BDAELO O=C(C[N@H+]1CCC[C@H](O)C1)c1ccccc1 ZINC000050152706 384597949 /nfs/dbraw/zinc/59/79/49/384597949.db2.gz DLNQVIAPXAOLMY-LBPRGKRZSA-N 1 2 219.284 1.326 10 0 BDAELO O=C(C[N@@H+]1CCC[C@H](O)C1)c1ccccc1 ZINC000050152706 384597954 /nfs/dbraw/zinc/59/79/54/384597954.db2.gz DLNQVIAPXAOLMY-LBPRGKRZSA-N 1 2 219.284 1.326 10 0 BDAELO C[NH2+]Cc1noc(C(F)(F)Br)n1 ZINC000156784156 384875713 /nfs/dbraw/zinc/87/57/13/384875713.db2.gz DRSDGFCBKPMHGG-UHFFFAOYSA-N 1 2 242.023 1.233 10 0 BDAELO Cc1ccc([C@H](C)[NH2+]Cc2nnc(C)[nH]2)o1 ZINC000129816730 385190662 /nfs/dbraw/zinc/19/06/62/385190662.db2.gz HPQUJZSRUQLNFG-QMMMGPOBSA-N 1 2 220.276 1.865 10 0 BDAELO c1nc2n(n1)C[C@@H](Nc1cccc[nH+]1)CC2 ZINC000108948273 385247487 /nfs/dbraw/zinc/24/74/87/385247487.db2.gz ZZRUGNVCHVKLEV-VIFPVBQESA-N 1 2 215.260 1.100 10 0 BDAELO Nc1cn2ccc(C(F)(F)F)cc2[nH+]1 ZINC000096029081 385315743 /nfs/dbraw/zinc/31/57/43/385315743.db2.gz GXZDCLTURLCLNU-UHFFFAOYSA-N 1 2 201.151 1.935 10 0 BDAELO COC(=O)[C@H]([NH3+])[C@@H](C)Oc1ccc(F)cc1 ZINC000169726790 385418373 /nfs/dbraw/zinc/41/83/73/385418373.db2.gz SMFUZPGUYKRTRK-GMSGAONNSA-N 1 2 227.235 1.093 10 0 BDAELO 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135063537 /nfs/dbraw/zinc/06/35/37/135063537.db2.gz QEUHFEPXICRKPW-QWRGUYRKSA-N 1 2 228.336 1.012 10 0 BDAELO O=C(c1ccccc1)N1CCn2cc[nH+]c2C1 ZINC000074784996 135390683 /nfs/dbraw/zinc/39/06/83/135390683.db2.gz BKNZAESNKAYANK-UHFFFAOYSA-N 1 2 227.267 1.539 10 0 BDAELO C[NH2+]CC1=N[C@H](c2ccccc2)N(C(C)C)O1 ZINC000584613883 398078022 /nfs/dbraw/zinc/07/80/22/398078022.db2.gz LRDFSKXGDASNPK-ZDUSSCGKSA-N 1 2 233.315 1.959 10 0 BDAELO CN1N(C[NH+](C)C)[C@@]1(C)Cc1ccccc1 ZINC000584616407 398078498 /nfs/dbraw/zinc/07/84/98/398078498.db2.gz FORRYZAGTZGYDN-JEYLPNPQSA-N 1 2 219.332 1.627 10 0 BDAELO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)c1ccccc1 ZINC000074774565 487574091 /nfs/dbraw/zinc/57/40/91/487574091.db2.gz VNLJRSYAMCPNFZ-CYBMUJFWSA-N 1 2 248.326 1.089 10 0 BDAELO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)c1ccccc1 ZINC000074774565 487574096 /nfs/dbraw/zinc/57/40/96/487574096.db2.gz VNLJRSYAMCPNFZ-CYBMUJFWSA-N 1 2 248.326 1.089 10 0 BDAELO CC1CCC(CO)([NH2+]Cc2ccn[nH]2)CC1 ZINC000053113755 168157055 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/nfs/dbraw/zinc/90/99/96/411909996.db2.gz IHIJBONZYUUNKJ-SNVBAGLBSA-N 1 2 235.287 1.610 10 0 BDAELO NC(=O)N1CCCC[C@H](c2ccc(N)[nH+]c2)C1 ZINC000616601952 411974174 /nfs/dbraw/zinc/97/41/74/411974174.db2.gz MMNNNCKAZCPUMU-JTQLQIEISA-N 1 2 234.303 1.312 10 0 BDAELO CCn1ccnc1[C@@H]([NH2+]C)c1ccco1 ZINC000041048700 172229853 /nfs/dbraw/zinc/22/98/53/172229853.db2.gz BREAZRAETBXBGX-JTQLQIEISA-N 1 2 205.261 1.805 10 0 BDAELO CN(C)C(=O)CCSc1ccc(N)[nH+]c1 ZINC000037898067 172361182 /nfs/dbraw/zinc/36/11/82/172361182.db2.gz AXANMQJQAUIYGP-UHFFFAOYSA-N 1 2 225.317 1.234 10 0 BDAELO CN(C)C(=O)Oc1ccc2[nH+]ccn2c1 ZINC000089201361 172382256 /nfs/dbraw/zinc/38/22/56/172382256.db2.gz KQKXEQFTUNPJQO-UHFFFAOYSA-N 1 2 205.217 1.395 10 0 BDAELO CNC(=O)C[C@@H](C)Nc1ccc[nH+]c1C ZINC000134337063 173281649 /nfs/dbraw/zinc/28/16/49/173281649.db2.gz ZFIRVKYOPIPWJQ-MRVPVSSYSA-N 1 2 207.277 1.327 10 0 BDAELO CNC(=O)[C@H](C)[NH2+]c1cc2ccccc2c(=O)[nH]1 ZINC000042571447 173304182 /nfs/dbraw/zinc/30/41/82/173304182.db2.gz LSKWMISWRCFLLH-QMMMGPOBSA-N 1 2 245.282 1.075 10 0 BDAELO C[NH2+]CC(=O)OCCc1ccc2nc(C)oc2c1 ZINC000077421133 173335204 /nfs/dbraw/zinc/33/52/04/173335204.db2.gz URNQBPBKHSYMFD-UHFFFAOYSA-N 1 2 248.282 1.441 10 0 BDAELO C[NH2+]CC(=O)OCCc1cccc(C)c1 ZINC000077300325 173335497 /nfs/dbraw/zinc/33/54/97/173335497.db2.gz QCJMNGGHARLPMH-UHFFFAOYSA-N 1 2 207.273 1.300 10 0 BDAELO COC(=O)[C@@H](CC(C)C)[NH2+]C[C@@H]1CCC=CO1 ZINC000050268305 173698555 /nfs/dbraw/zinc/69/85/55/173698555.db2.gz MATRUQDXKBZBHN-NWDGAFQWSA-N 1 2 241.331 1.856 10 0 BDAELO COC(=O)[C@@H]([NH3+])[C@H](C)Oc1ccccc1Cl ZINC000169726736 173706817 /nfs/dbraw/zinc/70/68/17/173706817.db2.gz XGCQEASCQUKHDJ-XVKPBYJWSA-N 1 2 243.690 1.608 10 0 BDAELO COC(=O)c1csc(NCc2[nH]cc[nH+]2)n1 ZINC000083365577 173913554 /nfs/dbraw/zinc/91/35/54/173913554.db2.gz SHTJIEYTRAMLAN-UHFFFAOYSA-N 1 2 238.272 1.265 10 0 BDAELO COc1cc(NCc2ccccc2)nc(N)[nH+]1 ZINC000027732750 175003457 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FHLRYBHELIIVFJ-UHFFFAOYSA-N 1 2 241.254 1.406 10 0 BDAELO COc1ccccc1C(=O)CN1CC[NH+](C)CC1 ZINC000034981386 175316848 /nfs/dbraw/zinc/31/68/48/175316848.db2.gz QEVZWIPMDFTIHH-UHFFFAOYSA-N 1 2 248.326 1.125 10 0 BDAELO C[C@@H]1CC[S@](=O)CC[N@@H+]1C/C=C/Cl ZINC000306264119 176237971 /nfs/dbraw/zinc/23/79/71/176237971.db2.gz ZTPYUPWFJVOYMZ-DKRROZRQSA-N 1 2 221.753 1.582 10 0 BDAELO C[C@@H]1CC[S@](=O)CC[N@H+]1C/C=C/Cl ZINC000306264119 176237973 /nfs/dbraw/zinc/23/79/73/176237973.db2.gz ZTPYUPWFJVOYMZ-DKRROZRQSA-N 1 2 221.753 1.582 10 0 BDAELO C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccccn1 ZINC000133176700 176346897 /nfs/dbraw/zinc/34/68/97/176346897.db2.gz INKWKJWHLYGEQE-GHMZBOCLSA-N 1 2 206.289 1.691 10 0 BDAELO C[C@H](O)[C@@H]([NH3+])c1nc(-c2ccc(F)cc2)no1 ZINC000035660363 177006676 /nfs/dbraw/zinc/00/66/76/177006676.db2.gz SXRJVBPZOKUWTP-IMTBSYHQSA-N 1 2 237.234 1.256 10 0 BDAELO C[C@H](O)c1[nH+]c2cc(N)ccc2n1[C@@H](C)CO ZINC000063221105 177018795 /nfs/dbraw/zinc/01/87/95/177018795.db2.gz QSBSNVDJJZXHKL-YUMQZZPRSA-N 1 2 235.287 1.225 10 0 BDAELO C[C@H](Oc1nccnc1C(N)=[NH2+])c1ccccc1 ZINC000054380489 177025230 /nfs/dbraw/zinc/02/52/30/177025230.db2.gz PJMHQPZIMOSWKX-VIFPVBQESA-N 1 2 242.282 1.901 10 0 BDAELO C[C@H](c1cccc(N)c1)[NH+]1CCS(=O)CC1 ZINC000049691321 177036795 /nfs/dbraw/zinc/03/67/95/177036795.db2.gz HNUULGDPKDNRHE-SNVBAGLBSA-N 1 2 238.356 1.394 10 0 BDAELO C[C@H]1C[C@H]1Nc1cc(N2CCCC2)nc[nH+]1 ZINC000277339818 177386422 /nfs/dbraw/zinc/38/64/22/177386422.db2.gz FRRAJOIYJOWYBC-VHSXEESVSA-N 1 2 218.304 1.897 10 0 BDAELO C[C@H]1C[C@H]1Nc1cc(N2CCCC2)[nH+]cn1 ZINC000277339818 177386424 /nfs/dbraw/zinc/38/64/24/177386424.db2.gz FRRAJOIYJOWYBC-VHSXEESVSA-N 1 2 218.304 1.897 10 0 BDAELO C[C@H]1NC(=O)CC[C@@H]1Nc1cccc[nH+]1 ZINC000281667030 177393504 /nfs/dbraw/zinc/39/35/04/177393504.db2.gz PHIGSIYEDBEOJV-BDAKNGLRSA-N 1 2 205.261 1.161 10 0 BDAELO C[C@@H]([NH2+]CC(=O)OC(C)(C)C)[C@H]1CCCO1 ZINC000037408624 324568696 /nfs/dbraw/zinc/56/86/96/324568696.db2.gz FLVYIVRFDFJFPQ-NXEZZACHSA-N 1 2 229.320 1.485 10 0 BDAELO OCC[N@H+](CC(F)F)C[C@@H]1CCC[C@@H](O)C1 ZINC000381580484 487513803 /nfs/dbraw/zinc/51/38/03/487513803.db2.gz AIDKGECJBYKKJK-NXEZZACHSA-N 1 2 237.290 1.097 10 0 BDAELO OCC[N@@H+](CC(F)F)C[C@@H]1CCC[C@@H](O)C1 ZINC000381580484 487513806 /nfs/dbraw/zinc/51/38/06/487513806.db2.gz AIDKGECJBYKKJK-NXEZZACHSA-N 1 2 237.290 1.097 10 0 BDAELO CCc1noc([C@H](C)[N@@H+]2CC[C@@H](C)[C@H](O)C2)n1 ZINC000408089478 535899146 /nfs/dbraw/zinc/89/91/46/535899146.db2.gz JGJVFOPEOJNCTC-KXUCPTDWSA-N 1 2 239.319 1.396 10 0 BDAELO CCc1noc([C@H](C)[N@H+]2CC[C@@H](C)[C@H](O)C2)n1 ZINC000408089478 535899147 /nfs/dbraw/zinc/89/91/47/535899147.db2.gz JGJVFOPEOJNCTC-KXUCPTDWSA-N 1 2 239.319 1.396 10 0 BDAELO CCn1c(C)nnc1C[NH2+][C@@H](C)c1cccnc1 ZINC000181634448 535976327 /nfs/dbraw/zinc/97/63/27/535976327.db2.gz WZNAZMRCZDQKQR-JTQLQIEISA-N 1 2 245.330 1.852 10 0 BDAELO CCOC(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]12 ZINC000238797072 537824753 /nfs/dbraw/zinc/82/47/53/537824753.db2.gz SCGXCPLXQZRYME-GARJFASQSA-N 1 2 211.305 1.718 10 0 BDAELO Cc1cnc(C[NH2+]Cc2ccccn2)o1 ZINC000235957272 537908385 /nfs/dbraw/zinc/90/83/85/537908385.db2.gz HCLZOFDHMQPJHI-UHFFFAOYSA-N 1 2 203.245 1.668 10 0 BDAELO Cc1cc(N)nn1Cc1ccc[nH+]c1C ZINC000308979872 538109791 /nfs/dbraw/zinc/10/97/91/538109791.db2.gz DLNDBOKLHCRZTL-UHFFFAOYSA-N 1 2 202.261 1.525 10 0 BDAELO Cc1cccc(CCn2cc(N)cn2)[nH+]1 ZINC000399669570 583198000 /nfs/dbraw/zinc/19/80/00/583198000.db2.gz LAINQVFKQJARGF-UHFFFAOYSA-N 1 2 202.261 1.411 10 0 BDAELO CCNc1[nH+]c(CCOC)nc2[nH]ccc21 ZINC000757565884 586290424 /nfs/dbraw/zinc/29/04/24/586290424.db2.gz IVLWMCDKFXHHJU-UHFFFAOYSA-N 1 2 220.276 1.530 10 0 BDAELO C[C@@H]1C[NH2+][C@H](c2cccc(C(=O)[O-])c2)[C@H]([NH3+])C1 ZINC000757218793 586441547 /nfs/dbraw/zinc/44/15/47/586441547.db2.gz XAUGEXKELCIEMS-XXILOJSOSA-N 1 2 234.299 1.383 10 0 BDAELO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]CC(F)F ZINC000235458548 632745689 /nfs/dbraw/zinc/74/56/89/632745689.db2.gz NAZNPXDHDQWLEZ-SSDOTTSWSA-N 1 2 238.278 1.754 10 0 BDAELO CC(C)c1nc(C[NH2+]C(C)(C)CO)no1 ZINC000067486187 636139569 /nfs/dbraw/zinc/13/95/69/636139569.db2.gz ZCINYVYSPUKDKN-UHFFFAOYSA-N 1 2 213.281 1.054 10 0 BDAELO CNc1cc(N[C@H](C)c2ncc(C)o2)nc[nH+]1 ZINC000231761352 641196459 /nfs/dbraw/zinc/19/64/59/641196459.db2.gz ZMTXLESUFRMDTC-MRVPVSSYSA-N 1 2 233.275 1.988 10 0 BDAELO CNc1cc(N[C@H](C)c2ncc(C)o2)[nH+]cn1 ZINC000231761352 641196465 /nfs/dbraw/zinc/19/64/65/641196465.db2.gz ZMTXLESUFRMDTC-MRVPVSSYSA-N 1 2 233.275 1.988 10 0 BDAELO CCC[C@@H]([NH2+]C(C)(C)CO)C(=O)OCC ZINC000216260751 641710194 /nfs/dbraw/zinc/71/01/94/641710194.db2.gz CDBSNBKDMFIOIS-SECBINFHSA-N 1 2 217.309 1.079 10 0 BDAELO CCOCC(=O)N[C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000070257116 643004780 /nfs/dbraw/zinc/00/47/80/643004780.db2.gz XTDRGWNBHRJGRJ-MNOVXSKESA-N 1 2 237.303 1.129 10 0 BDAELO CC[NH2+][C@](C)(C[C@@H](C)n1cc[nH+]c1)C(=O)[O-] ZINC000082800136 643382949 /nfs/dbraw/zinc/38/29/49/643382949.db2.gz FPLBTOIXEWJZAQ-MWLCHTKSSA-N 1 2 225.292 1.287 10 0 BDAELO CC[NH2+][C@]1(C(=O)[O-])CC[C@@H](n2cc[nH+]c2)C1 ZINC000086626577 644156633 /nfs/dbraw/zinc/15/66/33/644156633.db2.gz JBGVVWPLZWUYCR-MWLCHTKSSA-N 1 2 223.276 1.041 10 0 BDAELO c1ncc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)cn1 ZINC000245512711 644528487 /nfs/dbraw/zinc/52/84/87/644528487.db2.gz ARBMBQRVCYSIRI-OLZOCXBDSA-N 1 2 233.315 1.620 10 0 BDAELO c1ncc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)cn1 ZINC000245512711 644528490 /nfs/dbraw/zinc/52/84/90/644528490.db2.gz ARBMBQRVCYSIRI-OLZOCXBDSA-N 1 2 233.315 1.620 10 0 BDAELO C[C@@H]1CCC(=O)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000725643622 711668510 /nfs/dbraw/zinc/66/85/10/711668510.db2.gz ARAISQUTDRUAMK-PWSUYJOCSA-N 1 2 211.305 1.609 10 0 BDAELO C[C@@H]1CCC(=O)C[N@H+]1CC[C@@H]1CCCO1 ZINC000725643622 711668511 /nfs/dbraw/zinc/66/85/11/711668511.db2.gz ARAISQUTDRUAMK-PWSUYJOCSA-N 1 2 211.305 1.609 10 0 BDAELO C[C@H]([NH2+]Cc1ccns1)c1cn(C)nn1 ZINC000715838361 712535522 /nfs/dbraw/zinc/53/55/22/712535522.db2.gz QOYQEAGCOASEKE-ZETCQYMHSA-N 1 2 223.305 1.122 10 0 BDAELO Cc1cnc(C[NH2+]Cc2cn(C)nn2)c(C)c1 ZINC000724035174 711557183 /nfs/dbraw/zinc/55/71/83/711557183.db2.gz VUVSUWBYHLJWGL-UHFFFAOYSA-N 1 2 231.303 1.117 10 0 BDAELO Cc1cc(=O)[nH]c(C[NH2+][C@H](C)c2cccnc2)n1 ZINC000700467028 711993396 /nfs/dbraw/zinc/99/33/96/711993396.db2.gz LXGXHNDJZGJHSF-SNVBAGLBSA-N 1 2 244.298 1.736 10 0 BDAELO c1cn(C2CC2)c(C[NH2+]Cc2ccccn2)n1 ZINC000711752330 712325242 /nfs/dbraw/zinc/32/52/42/712325242.db2.gz PTCQQUHYDLFNHN-UHFFFAOYSA-N 1 2 228.299 1.903 10 0 BDAELO Cc1cc(C[NH2+][C@@H](C)c2cn(C)nn2)sn1 ZINC000715849499 712536066 /nfs/dbraw/zinc/53/60/66/712536066.db2.gz GKGDIKUNFXRLBO-QMMMGPOBSA-N 1 2 237.332 1.431 10 0 BDAELO C[C@H]([NH2+][C@H]1CCc2cccnc21)c1cn(C)nn1 ZINC000720598080 712855500 /nfs/dbraw/zinc/85/55/00/712855500.db2.gz YTJDCSQMJXGHPA-ONGXEEELSA-N 1 2 243.314 1.548 10 0 BDAELO C[C@H]([NH2+][C@@H]1CCCc2n[nH]cc21)c1cn(C)nn1 ZINC000720601132 712857461 /nfs/dbraw/zinc/85/74/61/712857461.db2.gz HEUAYDDUJKRAPN-WCBMZHEXSA-N 1 2 246.318 1.266 10 0 BDAELO C[N@@H+]1CCC[C@@H]1C[NH2+]CCC(C)(C)C(=O)[O-] ZINC000395608752 972812306 /nfs/dbraw/zinc/81/23/06/972812306.db2.gz HQXJMZVTNSEOAX-SNVBAGLBSA-N 1 2 228.336 1.171 10 0 BDAELO C[N@H+]1CCC[C@@H]1C[NH2+]CCC(C)(C)C(=O)[O-] ZINC000395608752 972812317 /nfs/dbraw/zinc/81/23/17/972812317.db2.gz HQXJMZVTNSEOAX-SNVBAGLBSA-N 1 2 228.336 1.171 10 0 BDAELO [NH3+]CC(F)(F)CN1CCC2(CC2)CC1 ZINC000685956836 538901346 /nfs/dbraw/zinc/90/13/46/538901346.db2.gz HAFVLXVTVPELCS-UHFFFAOYSA-N 1 2 204.264 1.456 10 0 BDAELO CNCC(F)(F)C[N@H+](C)C[C@H]1C[C@H]1C ZINC000685956458 538903251 /nfs/dbraw/zinc/90/32/51/538903251.db2.gz BJPULZABSMGPAE-RKDXNWHRSA-N 1 2 206.280 1.429 10 0 BDAELO CNCC(F)(F)C[N@@H+](C)C[C@H]1C[C@H]1C ZINC000685956458 538903253 /nfs/dbraw/zinc/90/32/53/538903253.db2.gz BJPULZABSMGPAE-RKDXNWHRSA-N 1 2 206.280 1.429 10 0 BDAELO CCNCC(F)(F)C[N@H+](C)CC(C)C ZINC000685957208 538904060 /nfs/dbraw/zinc/90/40/60/538904060.db2.gz VHZDMIFUBTXQHE-UHFFFAOYSA-N 1 2 208.296 1.819 10 0 BDAELO CCNCC(F)(F)C[N@@H+](C)CC(C)C ZINC000685957208 538904062 /nfs/dbraw/zinc/90/40/62/538904062.db2.gz VHZDMIFUBTXQHE-UHFFFAOYSA-N 1 2 208.296 1.819 10 0 BDAELO CNCC(F)(F)C[N@H+](C)[C@H](C)C1CC1 ZINC000685957695 538904983 /nfs/dbraw/zinc/90/49/83/538904983.db2.gz YDEYDDSVRFOJST-MRVPVSSYSA-N 1 2 206.280 1.571 10 0 BDAELO CNCC(F)(F)C[N@@H+](C)[C@H](C)C1CC1 ZINC000685957695 538904984 /nfs/dbraw/zinc/90/49/84/538904984.db2.gz YDEYDDSVRFOJST-MRVPVSSYSA-N 1 2 206.280 1.571 10 0 BDAELO CNCC(F)(F)C[N@@H+]1CCC(C)(C)C1 ZINC000685957704 538905008 /nfs/dbraw/zinc/90/50/08/538905008.db2.gz YLOKYKCGGGRJIZ-UHFFFAOYSA-N 1 2 206.280 1.573 10 0 BDAELO CNCC(F)(F)C[N@H+]1CCC(C)(C)C1 ZINC000685957704 538905009 /nfs/dbraw/zinc/90/50/09/538905009.db2.gz YLOKYKCGGGRJIZ-UHFFFAOYSA-N 1 2 206.280 1.573 10 0 BDAELO CNCC(F)(F)C[N@H+](C)[C@@H](C)C(C)C ZINC000685957609 538905128 /nfs/dbraw/zinc/90/51/28/538905128.db2.gz 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1.352 10 0 BDAELO CCC[NH2+][C@@](C)(COC1CCC1)C(=O)OCC ZINC000050521466 169284523 /nfs/dbraw/zinc/28/45/23/169284523.db2.gz GXQIDCARDRTZRJ-ZDUSSCGKSA-N 1 2 243.347 1.877 10 0 BDAELO CCC[NH2+][C@H](c1cccnc1)c1ncccn1 ZINC000037762119 169291024 /nfs/dbraw/zinc/29/10/24/169291024.db2.gz KWUZXEDKSSJMIV-GFCCVEGCSA-N 1 2 228.299 1.961 10 0 BDAELO CCCNc1[nH+]cnc2c1cnn2CC ZINC000039100988 169296980 /nfs/dbraw/zinc/29/69/80/169296980.db2.gz BBVBLCCRJCXDJP-UHFFFAOYSA-N 1 2 205.265 1.668 10 0 BDAELO CCC[C@@H](C)CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000195456919 169356102 /nfs/dbraw/zinc/35/61/02/169356102.db2.gz MMLUGNPJFFDRHV-VXGBXAGGSA-N 1 2 242.363 1.260 10 0 BDAELO CCC[C@@H](C)CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000195456919 169356103 /nfs/dbraw/zinc/35/61/03/169356103.db2.gz MMLUGNPJFFDRHV-VXGBXAGGSA-N 1 2 242.363 1.260 10 0 BDAELO CC(C)OCC[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000182678388 134346756 /nfs/dbraw/zinc/34/67/56/134346756.db2.gz GKNIKKNODROSNY-LLVKDONJSA-N 1 2 238.335 1.757 10 0 BDAELO CC(C)OCC[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000182678388 134346757 /nfs/dbraw/zinc/34/67/57/134346757.db2.gz GKNIKKNODROSNY-LLVKDONJSA-N 1 2 238.335 1.757 10 0 BDAELO CCc1ccc(C(=O)C[NH+]2CCC(O)CC2)cc1 ZINC000050132222 383930030 /nfs/dbraw/zinc/93/00/30/383930030.db2.gz GXSFOFYSIICQPB-UHFFFAOYSA-N 1 2 247.338 1.888 10 0 BDAELO CC(C)=CC[NH+]1CCN(C(=O)CF)CC1 ZINC000039055659 384101382 /nfs/dbraw/zinc/10/13/82/384101382.db2.gz FXFZVGONUOFJJX-UHFFFAOYSA-N 1 2 214.284 1.066 10 0 BDAELO CC(C)n1nnnc1C[N@H+](C)C1CCC1 ZINC000173917919 384288473 /nfs/dbraw/zinc/28/84/73/384288473.db2.gz MMXUKYCTKVISQQ-UHFFFAOYSA-N 1 2 209.297 1.238 10 0 BDAELO CC(C)n1nnnc1C[N@@H+](C)C1CCC1 ZINC000173917919 384288479 /nfs/dbraw/zinc/28/84/79/384288479.db2.gz MMXUKYCTKVISQQ-UHFFFAOYSA-N 1 2 209.297 1.238 10 0 BDAELO COC(=O)[C@H]1CC[C@H](c2cccc(O)c2)C[NH2+]1 ZINC000079026607 384480456 /nfs/dbraw/zinc/48/04/56/384480456.db2.gz ADHTYWZYGFDAGS-CMPLNLGQSA-N 1 2 235.283 1.401 10 0 BDAELO NNc1[nH+]c(-c2ccccn2)nc2c1CCC2 ZINC000051152074 384660006 /nfs/dbraw/zinc/66/00/06/384660006.db2.gz SZSKZFXZKKASQU-UHFFFAOYSA-N 1 2 227.271 1.313 10 0 BDAELO [NH3+]Cc1nc(-c2cccc(Cl)c2)n[nH]1 ZINC000061843829 384788674 /nfs/dbraw/zinc/78/86/74/384788674.db2.gz OYUVQJXQWWNMOO-UHFFFAOYSA-N 1 2 208.652 1.584 10 0 BDAELO Cc1cnn(CC[NH2+][C@@H]2CCCc3[nH]ncc32)c1 ZINC000368609610 384961019 /nfs/dbraw/zinc/96/10/19/384961019.db2.gz ZIWOPLDHXHQZKX-GFCCVEGCSA-N 1 2 245.330 1.582 10 0 BDAELO COC(=O)C[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000105923695 384892072 /nfs/dbraw/zinc/89/20/72/384892072.db2.gz BLBUPBLNLMFQSK-NSHDSACASA-N 1 2 237.303 1.001 10 0 BDAELO COC(=O)C[N@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000105923695 384892082 /nfs/dbraw/zinc/89/20/82/384892082.db2.gz BLBUPBLNLMFQSK-NSHDSACASA-N 1 2 237.303 1.001 10 0 BDAELO CC(C)(C)OC(=O)CN1CCn2cc[nH+]c2C1 ZINC000312959471 384941917 /nfs/dbraw/zinc/94/19/17/384941917.db2.gz UABOUEIMPLXOSE-UHFFFAOYSA-N 1 2 237.303 1.040 10 0 BDAELO Cc1nc(N2CC[C@]3(O)CCCC[C@@H]3C2)cc[nH+]1 ZINC000128328256 385025895 /nfs/dbraw/zinc/02/58/95/385025895.db2.gz RFGFRQCMHPFNPA-TZMCWYRMSA-N 1 2 247.342 1.916 10 0 BDAELO Nc1ccc(SC2CCOCC2)c[nH+]1 ZINC000062053821 385029811 /nfs/dbraw/zinc/02/98/11/385029811.db2.gz OUTYIGRFDCTKMP-UHFFFAOYSA-N 1 2 210.302 1.935 10 0 BDAELO Clc1cccc2c1OC[C@@H]2[NH2+]C1COC1 ZINC000308881526 385236042 /nfs/dbraw/zinc/23/60/42/385236042.db2.gz QGISJZIDHDIQME-JTQLQIEISA-N 1 2 225.675 1.762 10 0 BDAELO O=C(C[N@H+]1CCC[C@H](O)C1)c1ccc(F)cc1 ZINC000050152715 385310250 /nfs/dbraw/zinc/31/02/50/385310250.db2.gz WTBBRDOYFSDSEE-LBPRGKRZSA-N 1 2 237.274 1.465 10 0 BDAELO O=C(C[N@@H+]1CCC[C@H](O)C1)c1ccc(F)cc1 ZINC000050152715 385310258 /nfs/dbraw/zinc/31/02/58/385310258.db2.gz WTBBRDOYFSDSEE-LBPRGKRZSA-N 1 2 237.274 1.465 10 0 BDAELO C/C(=C\c1c[nH+]c2ccccn12)[N+](=O)[O-] ZINC000034328828 385280198 /nfs/dbraw/zinc/28/01/98/385280198.db2.gz WMOQYBCFEIDJHU-SOFGYWHQSA-N 1 2 203.201 1.972 10 0 BDAELO COC(=O)[C@@H]([NH3+])[C@@H](C)Oc1cccc(Cl)c1 ZINC000169726779 385418921 /nfs/dbraw/zinc/41/89/21/385418921.db2.gz GOSFVTKSSLGKOA-XCBNKYQSSA-N 1 2 243.690 1.608 10 0 BDAELO COC(=O)[C@@H]([NH3+])[C@H](C)Oc1cccc(F)c1 ZINC000169726772 385418965 /nfs/dbraw/zinc/41/89/65/385418965.db2.gz HSSWJODBLPYXDM-XVKPBYJWSA-N 1 2 227.235 1.093 10 0 BDAELO C[C@@H]1C[C@@H]1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000171926269 385533960 /nfs/dbraw/zinc/53/39/60/385533960.db2.gz ZBHUQEVSNJRSCI-SCZZXKLOSA-N 1 2 215.256 1.473 10 0 BDAELO CC(C)(C)OC(=O)N[C@H]1CCc2[nH+]ccn2C1 ZINC000095932364 385733373 /nfs/dbraw/zinc/73/33/73/385733373.db2.gz MCQKSYOEVWDBKH-VIFPVBQESA-N 1 2 237.303 1.723 10 0 BDAELO Cc1nsc(N2CCC[C@H]2Cn2cc[nH+]c2)n1 ZINC000271410049 385826794 /nfs/dbraw/zinc/82/67/94/385826794.db2.gz SVNIGKXNIPXHRC-JTQLQIEISA-N 1 2 249.343 1.712 10 0 BDAELO C[C@@H]1CCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000230171951 134486218 /nfs/dbraw/zinc/48/62/18/134486218.db2.gz NYWVSGLVIJYKQL-NXEZZACHSA-N 1 2 221.304 1.505 10 0 BDAELO Cn1c[nH+]c2c1CCN(C(=O)c1ccccc1)C2 ZINC000366653827 386150084 /nfs/dbraw/zinc/15/00/84/386150084.db2.gz AVYOVCXZRZTKEQ-UHFFFAOYSA-N 1 2 241.294 1.619 10 0 BDAELO C[C@@H]1OCC[C@@H]1Nc1cc(N2CCCC2)nc[nH+]1 ZINC000277712666 386461805 /nfs/dbraw/zinc/46/18/05/386461805.db2.gz HEPAYMFDTZWEEN-QWRGUYRKSA-N 1 2 248.330 1.666 10 0 BDAELO C[C@@H]1OCC[C@@H]1Nc1cc(N2CCCC2)[nH+]cn1 ZINC000277712666 386461807 /nfs/dbraw/zinc/46/18/07/386461807.db2.gz HEPAYMFDTZWEEN-QWRGUYRKSA-N 1 2 248.330 1.666 10 0 BDAELO Cc1cnn([C@H]2CCC[N@@H+]([C@H]3CCOC3=O)C2)c1 ZINC000247440031 386718174 /nfs/dbraw/zinc/71/81/74/386718174.db2.gz ZTADWVCSWAASNS-RYUDHWBXSA-N 1 2 249.314 1.144 10 0 BDAELO Cc1cnn([C@H]2CCC[N@H+]([C@H]3CCOC3=O)C2)c1 ZINC000247440031 386718180 /nfs/dbraw/zinc/71/81/80/386718180.db2.gz ZTADWVCSWAASNS-RYUDHWBXSA-N 1 2 249.314 1.144 10 0 BDAELO COC(=O)[C@@]12CCC[C@@H]1CN(c1cccc[nH+]1)C2 ZINC000302142113 386907079 /nfs/dbraw/zinc/90/70/79/386907079.db2.gz FTDZQCNMPWXXIW-BXUZGUMPSA-N 1 2 246.310 1.861 10 0 BDAELO C[C@H]1CCC[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000230171903 387239649 /nfs/dbraw/zinc/23/96/49/387239649.db2.gz QXQLLBMIEPQJND-UWVGGRQHSA-N 1 2 221.304 1.804 10 0 BDAELO Cn1ncc(C[NH2+][C@@H]2COc3ccccc32)n1 ZINC000286894353 387347851 /nfs/dbraw/zinc/34/78/51/387347851.db2.gz DFVUQPVWAPOHMG-LLVKDONJSA-N 1 2 230.271 1.038 10 0 BDAELO CCOC(=O)Cc1cc([NH3+])cc(C)c1N ZINC000575726983 387463794 /nfs/dbraw/zinc/46/37/94/387463794.db2.gz RTYRIGMDKQXHOY-UHFFFAOYSA-N 1 2 208.261 1.265 10 0 BDAELO COC(=O)C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000127992855 387732385 /nfs/dbraw/zinc/73/23/85/387732385.db2.gz GBZTYBWBMMTWOH-QWRGUYRKSA-N 1 2 237.303 1.129 10 0 BDAELO Cn1c2ccccc2[nH+]c1N1CCC[C@@H]1CO ZINC000079048860 387938092 /nfs/dbraw/zinc/93/80/92/387938092.db2.gz UQYMHPKWOFDEPV-SNVBAGLBSA-N 1 2 231.299 1.534 10 0 BDAELO COc1ccc[nH+]c1NC[C@H](O)C(C)(C)C ZINC000324419704 388118280 /nfs/dbraw/zinc/11/82/80/388118280.db2.gz MZMMSNZVNLEBHU-JTQLQIEISA-N 1 2 224.304 1.909 10 0 BDAELO C[C@@H]([NH2+]Cc1cnn[nH]1)c1ccc(F)c(F)c1 ZINC000296379937 388422644 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/nfs/dbraw/zinc/32/39/29/134323929.db2.gz LOIBIGJEQPQIJQ-NSHDSACASA-N 1 2 247.302 1.015 10 0 BDAELO Cc1nnc([C@@H]2C[N@@H+](Cc3cc[nH]c3)CCO2)[nH]1 ZINC000180113672 134323930 /nfs/dbraw/zinc/32/39/30/134323930.db2.gz LOIBIGJEQPQIJQ-NSHDSACASA-N 1 2 247.302 1.015 10 0 BDAELO OCC[C@H]1CC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000227571361 134383175 /nfs/dbraw/zinc/38/31/75/134383175.db2.gz LEGRJHRVYJBJLT-SECBINFHSA-N 1 2 237.303 1.151 10 0 BDAELO OCC[C@H]1CC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000227571361 134383176 /nfs/dbraw/zinc/38/31/76/134383176.db2.gz LEGRJHRVYJBJLT-SECBINFHSA-N 1 2 237.303 1.151 10 0 BDAELO C[C@@H]1CC(C(=O)NCc2c[nH+]c[nH]2)C[C@@H](C)O1 ZINC000408077069 134387172 /nfs/dbraw/zinc/38/71/72/134387172.db2.gz RSQCVOIUASUKLY-RKDXNWHRSA-N 1 2 237.303 1.230 10 0 BDAELO C[C@@H]1CC(C(=O)NCc2c[nH]c[nH+]2)C[C@@H](C)O1 ZINC000408077069 134387174 /nfs/dbraw/zinc/38/71/74/134387174.db2.gz RSQCVOIUASUKLY-RKDXNWHRSA-N 1 2 237.303 1.230 10 0 BDAELO C[C@@H]([NH2+]Cc1cnc[nH]1)c1cncc(F)c1 ZINC000227772749 134394188 /nfs/dbraw/zinc/39/41/88/134394188.db2.gz OGNLRHKDYJCHEZ-MRVPVSSYSA-N 1 2 220.251 1.795 10 0 BDAELO OC1(C2CC2)C[NH+](Cc2cccnc2)C1 ZINC000084377187 135215423 /nfs/dbraw/zinc/21/54/23/135215423.db2.gz DIWQEPGAHHPWRG-UHFFFAOYSA-N 1 2 204.273 1.038 10 0 BDAELO Cn1c2ccccc2[nH+]c1N[C@@H]1CCCNC1=O ZINC000079046631 135267829 /nfs/dbraw/zinc/26/78/29/135267829.db2.gz HXVFOXKXRJXKFB-SNVBAGLBSA-N 1 2 244.298 1.264 10 0 BDAELO Cc1cc(N[C@H]2CCCC[C@H]2CO)nc[nH+]1 ZINC000231143529 135582059 /nfs/dbraw/zinc/58/20/59/135582059.db2.gz HSOSXHLBXDHNOF-QWRGUYRKSA-N 1 2 221.304 1.748 10 0 BDAELO CC1C[NH+](Cc2cc(Br)no2)C1 ZINC000575597010 398010779 /nfs/dbraw/zinc/01/07/79/398010779.db2.gz VRJPUVHXEXVSHO-UHFFFAOYSA-N 1 2 231.093 1.889 10 0 BDAELO CC(C)[NH2+]Cc1noc([C@@H]2CCCCO2)n1 ZINC000051861155 167123329 /nfs/dbraw/zinc/12/33/29/167123329.db2.gz AEGBRDYKLGRCAU-VIFPVBQESA-N 1 2 225.292 1.809 10 0 BDAELO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](CF)C1 ZINC000107257028 322912829 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/nfs/dbraw/zinc/61/80/20/364618020.db2.gz ZJHNMHULNHYLBJ-ONGXEEELSA-N 1 2 237.303 1.119 10 0 BDAELO C[C@H]1C[N@H+](Cc2nc(C3CC3)no2)CCS1 ZINC000171692253 365227272 /nfs/dbraw/zinc/22/72/72/365227272.db2.gz AZFIACWNPOVZKY-QMMMGPOBSA-N 1 2 239.344 1.884 10 0 BDAELO C[C@H]1C[N@@H+](Cc2nc(C3CC3)no2)CCS1 ZINC000171692253 365227277 /nfs/dbraw/zinc/22/72/77/365227277.db2.gz AZFIACWNPOVZKY-QMMMGPOBSA-N 1 2 239.344 1.884 10 0 BDAELO CC(C)c1noc(C[N@@H+]2CCC[C@H](O)[C@@H]2C)n1 ZINC000385112230 367793698 /nfs/dbraw/zinc/79/36/98/367793698.db2.gz DDWQNIOSWGQKJW-UWVGGRQHSA-N 1 2 239.319 1.538 10 0 BDAELO CC(C)c1noc(C[N@H+]2CCC[C@H](O)[C@@H]2C)n1 ZINC000385112230 367793706 /nfs/dbraw/zinc/79/37/06/367793706.db2.gz DDWQNIOSWGQKJW-UWVGGRQHSA-N 1 2 239.319 1.538 10 0 BDAELO CN(C)[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000214987586 368137340 /nfs/dbraw/zinc/13/73/40/368137340.db2.gz QKUFEXCOGIWELR-NXEZZACHSA-N 1 2 216.350 1.107 10 0 BDAELO COc1cc(N2CCCOCC2)ccc1[NH3+] ZINC000082523718 368691010 /nfs/dbraw/zinc/69/10/10/368691010.db2.gz RDSRUOPCEVRLRF-UHFFFAOYSA-N 1 2 222.288 1.504 10 0 BDAELO C1CCN(C(N2CCCC2)[NH+]2CCCC2)C1 ZINC000616582408 369096618 /nfs/dbraw/zinc/09/66/18/369096618.db2.gz FSZMPXCVFVGYBH-UHFFFAOYSA-N 1 2 222.356 1.721 10 0 BDAELO Cn1ccnc1C(=O)[C@@H]([NH3+])c1cccs1 ZINC000226797790 371746649 /nfs/dbraw/zinc/74/66/49/371746649.db2.gz XYEWIZMXIDJOIH-QMMMGPOBSA-N 1 2 221.285 1.364 10 0 BDAELO Cn1c[nH+]cc1[C@H](NN)c1cccs1 ZINC000229795073 372194905 /nfs/dbraw/zinc/19/49/05/372194905.db2.gz QPQVPGOPKPCIBP-VIFPVBQESA-N 1 2 208.290 1.034 10 0 BDAELO O=C(NCCCF)[C@@H]1CCCn2cc[nH+]c21 ZINC000161539182 182167830 /nfs/dbraw/zinc/16/78/30/182167830.db2.gz LMUCRJOTOBPXPS-SECBINFHSA-N 1 2 225.267 1.236 10 0 BDAELO Nc1cc[nH+]cc1C(=O)CC(F)(F)F ZINC000069844612 373877235 /nfs/dbraw/zinc/87/72/35/373877235.db2.gz RHWXORYSOCOIHM-UHFFFAOYSA-N 1 2 204.151 1.799 10 0 BDAELO O=[S@]1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC000070674703 374175133 /nfs/dbraw/zinc/17/51/33/374175133.db2.gz 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CXBQTZGBJYBWIF-VIFPVBQESA-N 1 2 242.344 1.287 10 0 BDAELO Nc1[nH+]cnc(NC[C@@H]2[C@H]3COC[C@H]32)c1Cl ZINC000309614197 385742919 /nfs/dbraw/zinc/74/29/19/385742919.db2.gz NKVGSNVACRGGIG-POBXSPIYSA-N 1 2 240.694 1.017 10 0 BDAELO Nc1nc[nH+]c(NC[C@@H]2[C@H]3COC[C@H]32)c1Cl ZINC000309614197 385742926 /nfs/dbraw/zinc/74/29/26/385742926.db2.gz NKVGSNVACRGGIG-POBXSPIYSA-N 1 2 240.694 1.017 10 0 BDAELO CCC[C@@H]1C[C@@H]1Nc1[nH+]cnc2c1cnn2C ZINC000231662200 385811513 /nfs/dbraw/zinc/81/15/13/385811513.db2.gz JHLWURLIUYNACS-SCZZXKLOSA-N 1 2 231.303 1.964 10 0 BDAELO Nc1cc(CSc2nc[nH]n2)cc[nH+]1 ZINC000052755945 386084575 /nfs/dbraw/zinc/08/45/75/386084575.db2.gz NXAPPUSXLIHEGG-UHFFFAOYSA-N 1 2 207.262 1.074 10 0 BDAELO CC(C)c1nc(C[N@H+](C)CC2CC(O)C2)no1 ZINC000091490277 386300949 /nfs/dbraw/zinc/30/09/49/386300949.db2.gz WHKSYYAGFFZMFX-UHFFFAOYSA-N 1 2 239.319 1.396 10 0 BDAELO CC(C)c1nc(C[N@@H+](C)CC2CC(O)C2)no1 ZINC000091490277 386300956 /nfs/dbraw/zinc/30/09/56/386300956.db2.gz WHKSYYAGFFZMFX-UHFFFAOYSA-N 1 2 239.319 1.396 10 0 BDAELO Cc1nc(N[C@H](C)c2cccs2)nc(N)[nH+]1 ZINC000201432871 386374111 /nfs/dbraw/zinc/37/41/11/386374111.db2.gz CEMPBHRTPIPZJN-ZCFIWIBFSA-N 1 2 235.316 1.997 10 0 BDAELO Cc1nc(N)nc(N[C@H](C)c2cccs2)[nH+]1 ZINC000201432871 386374116 /nfs/dbraw/zinc/37/41/16/386374116.db2.gz CEMPBHRTPIPZJN-ZCFIWIBFSA-N 1 2 235.316 1.997 10 0 BDAELO COC(=O)[C@@H]1[NH2+]C[C@@]12CCCC(C)(C)C2 ZINC000521400102 386439910 /nfs/dbraw/zinc/43/99/10/386439910.db2.gz AVEGYLKBCJBJJA-CABZTGNLSA-N 1 2 211.305 1.718 10 0 BDAELO Cc1cc(N)ccc1[NH2+]CC[S@](C)=O ZINC000229160790 386675671 /nfs/dbraw/zinc/67/56/71/386675671.db2.gz VCSLXTIWAZSBPU-AWEZNQCLSA-N 1 2 212.318 1.368 10 0 BDAELO Cc1ncc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)[nH]1 ZINC000264861836 387055146 /nfs/dbraw/zinc/05/51/46/387055146.db2.gz PMEFTMVSVDLKGS-LLVKDONJSA-N 1 2 248.330 1.028 10 0 BDAELO CCn1cc[nH+]c1CSC[C@H](C)CO ZINC000084211587 387441353 /nfs/dbraw/zinc/44/13/53/387441353.db2.gz AFAGYGYRNUSZAZ-SECBINFHSA-N 1 2 214.334 1.765 10 0 BDAELO COC(=O)C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000127993315 387732997 /nfs/dbraw/zinc/73/29/97/387732997.db2.gz GBZTYBWBMMTWOH-WDEREUQCSA-N 1 2 237.303 1.129 10 0 BDAELO c1cc(C2CC[NH+](Cc3cncnc3)CC2)[nH]n1 ZINC000128179991 387739478 /nfs/dbraw/zinc/73/94/78/387739478.db2.gz HNAVKIJZOCONFI-UHFFFAOYSA-N 1 2 243.314 1.579 10 0 BDAELO Cc1cc(C)c([C@H]2[NH2+]CCNC2=O)c(C)c1 ZINC000041231630 177876160 /nfs/dbraw/zinc/87/61/60/177876160.db2.gz FNXMNRABNJPXPY-GFCCVEGCSA-N 1 2 218.300 1.372 10 0 BDAELO CC(C)c1nc([C@H]2CCC[N@@H+]2CCCO)no1 ZINC000195438997 387917045 /nfs/dbraw/zinc/91/70/45/387917045.db2.gz GBOWHECPPQCFOW-SNVBAGLBSA-N 1 2 239.319 1.712 10 0 BDAELO CC(C)c1nc([C@H]2CCC[N@H+]2CCCO)no1 ZINC000195438997 387917053 /nfs/dbraw/zinc/91/70/53/387917053.db2.gz GBOWHECPPQCFOW-SNVBAGLBSA-N 1 2 239.319 1.712 10 0 BDAELO CCCCS(=O)(=O)Cc1[nH+]ccn1CC ZINC000195519819 387921671 /nfs/dbraw/zinc/92/16/71/387921671.db2.gz XDVZWFHHQVZISQ-UHFFFAOYSA-N 1 2 230.333 1.618 10 0 BDAELO COCCC[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000195521789 387922160 /nfs/dbraw/zinc/92/21/60/387922160.db2.gz RWCCKUNKWYIMGD-SNVBAGLBSA-N 1 2 242.344 1.553 10 0 BDAELO COCCC[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000195521789 387922162 /nfs/dbraw/zinc/92/21/62/387922162.db2.gz RWCCKUNKWYIMGD-SNVBAGLBSA-N 1 2 242.344 1.553 10 0 BDAELO Cc1n[nH]c(S[C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000041062604 388019848 /nfs/dbraw/zinc/01/98/48/388019848.db2.gz WQTIQRBWGXYMCH-JGVFFNPUSA-N 1 2 212.322 1.333 10 0 BDAELO C[C@@H](CO)[NH2+][C@H](Cc1ccccc1)C(F)F ZINC000271282486 389020149 /nfs/dbraw/zinc/02/01/49/389020149.db2.gz QLDGNDXQVYNLNT-GXSJLCMTSA-N 1 2 229.270 1.833 10 0 BDAELO CCO[C@@H]1CCCN(c2ccc(CO)c[nH+]2)C1 ZINC000042424484 132351690 /nfs/dbraw/zinc/35/16/90/132351690.db2.gz PNMGSKCMJIQBLO-GFCCVEGCSA-N 1 2 236.315 1.579 10 0 BDAELO C[C@@H]1CN(c2cccc(CO)[nH+]2)CC(C)(C)O1 ZINC000051042374 132359734 /nfs/dbraw/zinc/35/97/34/132359734.db2.gz ATTHZBDSXVSCID-SNVBAGLBSA-N 1 2 236.315 1.578 10 0 BDAELO Cc1cc([N@@H+]2CCC[C@@H](C(N)=O)C2)ccc1N ZINC000057454350 132365788 /nfs/dbraw/zinc/36/57/88/132365788.db2.gz GVQDCFONIHQLRR-SNVBAGLBSA-N 1 2 233.315 1.279 10 0 BDAELO Cc1cc([N@H+]2CCC[C@@H](C(N)=O)C2)ccc1N ZINC000057454350 132365789 /nfs/dbraw/zinc/36/57/89/132365789.db2.gz GVQDCFONIHQLRR-SNVBAGLBSA-N 1 2 233.315 1.279 10 0 BDAELO O=C1C[NH2+]CCN1c1ccc(Cl)cc1Cl ZINC000071559521 132394457 /nfs/dbraw/zinc/39/44/57/132394457.db2.gz QJHFPUMOOVTKDS-UHFFFAOYSA-N 1 2 245.109 1.930 10 0 BDAELO C[C@H](O)C[N@H+]1CCN(CC(C)(C)C)C[C@@H]1C ZINC000219776054 134290988 /nfs/dbraw/zinc/29/09/88/134290988.db2.gz JTBCLQSGEZURCS-RYUDHWBXSA-N 1 2 228.380 1.419 10 0 BDAELO CCN(CC)C(=O)C[NH2+][C@H](C)c1ncc(C)o1 ZINC000220921897 134315310 /nfs/dbraw/zinc/31/53/10/134315310.db2.gz CWIMCSMTNVHDIO-SNVBAGLBSA-N 1 2 239.319 1.502 10 0 BDAELO C[C@@H]1C[C@@H](C(=O)NCc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000408077276 134386515 /nfs/dbraw/zinc/38/65/15/134386515.db2.gz VOUUKMHFNMNWJM-ILWJIGKKSA-N 1 2 237.303 1.230 10 0 BDAELO O=C(c1cccc(F)c1)N1CCn2cc[nH+]c2C1 ZINC000074785009 134948981 /nfs/dbraw/zinc/94/89/81/134948981.db2.gz ZOSDPQMYLIHOMC-UHFFFAOYSA-N 1 2 245.257 1.678 10 0 BDAELO CCS(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000257873365 135131501 /nfs/dbraw/zinc/13/15/01/135131501.db2.gz IPFPUMZVPMYVQF-UHFFFAOYSA-N 1 2 216.306 1.399 10 0 BDAELO C[C@H]1COC[C@H](C)[NH+]1Cc1cnc(N)s1 ZINC000261530996 135159363 /nfs/dbraw/zinc/15/93/63/135159363.db2.gz DVXFTYVQVSGHJW-YUMQZZPRSA-N 1 2 227.333 1.335 10 0 BDAELO Cc1noc(C)c1C[NH+]1CC(O)(C2CC2)C1 ZINC000084377080 135213662 /nfs/dbraw/zinc/21/36/62/135213662.db2.gz RBUAWJKUUILPEP-UHFFFAOYSA-N 1 2 222.288 1.248 10 0 BDAELO O=S1(=O)CCC[C@H](C[N@H+]2CCC[C@H]2CF)C1 ZINC000335367571 136082074 /nfs/dbraw/zinc/08/20/74/136082074.db2.gz FIQUBLOGLXLBLZ-MNOVXSKESA-N 1 2 249.351 1.245 10 0 BDAELO O=S1(=O)CCC[C@H](C[N@@H+]2CCC[C@H]2CF)C1 ZINC000335367571 136082075 /nfs/dbraw/zinc/08/20/75/136082075.db2.gz FIQUBLOGLXLBLZ-MNOVXSKESA-N 1 2 249.351 1.245 10 0 BDAELO CCN1CC[C@@H]([NH2+]Cc2cn(C(C)C)nn2)C1 ZINC000389521297 397960258 /nfs/dbraw/zinc/96/02/58/397960258.db2.gz GXXAJFRFNNNIBA-LLVKDONJSA-N 1 2 237.351 1.043 10 0 BDAELO Cc1nnsc1[C@@H]1[NH2+][C@H](C)CS1 ZINC000307027867 397974052 /nfs/dbraw/zinc/97/40/52/397974052.db2.gz MGLSBQORROIABI-CLZZGJSISA-N 1 2 201.320 1.570 10 0 BDAELO CC(C)[N@@H+]1CC[C@](C(=O)[O-])([NH+]2CCCC2)C1 ZINC000045660143 167027204 /nfs/dbraw/zinc/02/72/04/167027204.db2.gz GQTNARVBAUBRSG-LBPRGKRZSA-N 1 2 226.320 1.020 10 0 BDAELO CC(C)[N@H+]1CC[C@](C(=O)[O-])([NH+]2CCCC2)C1 ZINC000045660143 167027207 /nfs/dbraw/zinc/02/72/07/167027207.db2.gz GQTNARVBAUBRSG-LBPRGKRZSA-N 1 2 226.320 1.020 10 0 BDAELO CC(C)[NH2+]Cc1noc([C@H]2CCCO2)n1 ZINC000051861113 167122502 /nfs/dbraw/zinc/12/25/02/167122502.db2.gz BUYBTCZSWYVOLT-MRVPVSSYSA-N 1 2 211.265 1.419 10 0 BDAELO C[C@@H]1CC[S@@](=O)CC[N@@H+]1C/C=C/Cl ZINC000306264125 176238286 /nfs/dbraw/zinc/23/82/86/176238286.db2.gz ZTPYUPWFJVOYMZ-SMIMLKGBSA-N 1 2 221.753 1.582 10 0 BDAELO C[C@@H]1CC[S@@](=O)CC[N@H+]1C/C=C/Cl ZINC000306264125 176238287 /nfs/dbraw/zinc/23/82/87/176238287.db2.gz ZTPYUPWFJVOYMZ-SMIMLKGBSA-N 1 2 221.753 1.582 10 0 BDAELO CC(C)NS(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000095088628 167124124 /nfs/dbraw/zinc/12/41/24/167124124.db2.gz YFAUTRGOIOWONC-UHFFFAOYSA-N 1 2 245.348 1.292 10 0 BDAELO CC(C)Nc1nc(NCCO)[nH+]c2ccccc21 ZINC000095566364 167150420 /nfs/dbraw/zinc/15/04/20/167150420.db2.gz RDWKAUWVGUQKOM-UHFFFAOYSA-N 1 2 246.314 1.854 10 0 BDAELO c1[nH]c([C@H]2COCCN2Cc2ccccc2)c[nH+]1 ZINC000616640495 411408413 /nfs/dbraw/zinc/40/84/13/411408413.db2.gz UWXZONRITJEYGY-CQSZACIVSA-N 1 2 243.310 1.983 10 0 BDAELO c1[nH]cc([C@H]2COCCN2Cc2ccccc2)[nH+]1 ZINC000616640495 411408416 /nfs/dbraw/zinc/40/84/16/411408416.db2.gz UWXZONRITJEYGY-CQSZACIVSA-N 1 2 243.310 1.983 10 0 BDAELO CCNc1cc(C[N@@H+]2CCOC[C@@H]2C)ccn1 ZINC000052720627 170171977 /nfs/dbraw/zinc/17/19/77/170171977.db2.gz IEQSUPQPWQIJTN-NSHDSACASA-N 1 2 235.331 1.734 10 0 BDAELO CCNc1cc(C[N@H+]2CCOC[C@@H]2C)ccn1 ZINC000052720627 170171978 /nfs/dbraw/zinc/17/19/78/170171978.db2.gz IEQSUPQPWQIJTN-NSHDSACASA-N 1 2 235.331 1.734 10 0 BDAELO CCNc1ccc(C[NH+]2CCOCC2)cn1 ZINC000050792210 170173858 /nfs/dbraw/zinc/17/38/58/170173858.db2.gz AJLJYUOESDLLDT-UHFFFAOYSA-N 1 2 221.304 1.346 10 0 BDAELO CCOC(=O)[C@H](C)[NH2+]CCc1ccco1 ZINC000043637847 170267542 /nfs/dbraw/zinc/26/75/42/170267542.db2.gz WESKBROUUXBRAD-VIFPVBQESA-N 1 2 211.261 1.363 10 0 BDAELO CCOC(=O)[C@H]([NH3+])c1ccc(CC)s1 ZINC000033768053 170276552 /nfs/dbraw/zinc/27/65/52/170276552.db2.gz SCHZTKLBKPKDBS-SECBINFHSA-N 1 2 213.302 1.873 10 0 BDAELO CCOC(=O)[C@H]([NH3+])c1cccc(C)c1C ZINC000033367993 170276648 /nfs/dbraw/zinc/27/66/48/170276648.db2.gz NBOOJFMSVAYJOY-LLVKDONJSA-N 1 2 207.273 1.866 10 0 BDAELO CCOC(=O)[C@](C)([NH3+])c1ccc(OC)c(F)c1 ZINC000037514838 170284335 /nfs/dbraw/zinc/28/43/35/170284335.db2.gz PETQHIZZICMKSX-GFCCVEGCSA-N 1 2 241.262 1.571 10 0 BDAELO CCOC(=O)[C@]1([NH3+])CCSc2ccccc21 ZINC000037459904 170286184 /nfs/dbraw/zinc/28/61/84/170286184.db2.gz VGLZTTBDCFGHCS-LBPRGKRZSA-N 1 2 237.324 1.900 10 0 BDAELO CCOC1CC[NH+](Cc2nnsc2N)CC1 ZINC000050814601 170332790 /nfs/dbraw/zinc/33/27/90/170332790.db2.gz IUKAVDWUIVAIRD-UHFFFAOYSA-N 1 2 242.348 1.121 10 0 BDAELO CC(=O)N1CCCC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616628436 411854448 /nfs/dbraw/zinc/85/44/48/411854448.db2.gz NCNACLHXCNKYQN-LBPRGKRZSA-N 1 2 233.315 1.780 10 0 BDAELO CCOC(=O)N1CCC[C@@H](c2ccc(N)[nH+]c2)C1 ZINC000616617467 411863260 /nfs/dbraw/zinc/86/32/60/411863260.db2.gz YXLHGQHCMUZDKE-LLVKDONJSA-N 1 2 249.314 2.000 10 0 BDAELO CC(C)N1CCO[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616644787 411872144 /nfs/dbraw/zinc/87/21/44/411872144.db2.gz JBCHAKCEMBPWJU-LLVKDONJSA-N 1 2 221.304 1.446 10 0 BDAELO CCc1nc([C@H]([NH3+])c2cccnc2)no1 ZINC000036763059 172007318 /nfs/dbraw/zinc/00/73/18/172007318.db2.gz JORPAVOGAARPLT-SECBINFHSA-N 1 2 204.233 1.075 10 0 BDAELO CCc1nc2n(n1)C[C@H](Nc1cccc[nH+]1)CC2 ZINC000108948823 172014802 /nfs/dbraw/zinc/01/48/02/172014802.db2.gz AVLYKMCQXONAFM-SNVBAGLBSA-N 1 2 243.314 1.662 10 0 BDAELO CCn1nccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000156564934 172269583 /nfs/dbraw/zinc/26/95/83/172269583.db2.gz VRUASZLWXGWGRF-GHMZBOCLSA-N 1 2 223.320 1.512 10 0 BDAELO CN(C(=O)CSc1ccc(N)[nH+]c1)C1CC1 ZINC000049305722 172313402 /nfs/dbraw/zinc/31/34/02/172313402.db2.gz YEVMSNMGWUMRKS-UHFFFAOYSA-N 1 2 237.328 1.377 10 0 BDAELO C[NH2+]CC(=O)O[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000040951446 173335526 /nfs/dbraw/zinc/33/55/26/173335526.db2.gz JQVSWHCJRZRSOB-ZJUUUORDSA-N 1 2 213.321 1.964 10 0 BDAELO C[NH2+]Cc1noc([C@H]2[C@@H]3CCCC[C@@H]32)n1 ZINC000249847625 173399359 /nfs/dbraw/zinc/39/93/59/173399359.db2.gz FVDGPDPUIRQLAC-MBTKJCJQSA-N 1 2 207.277 1.693 10 0 BDAELO COCCOc1ccc(N)c2c[nH+]ccc12 ZINC000035333092 174368494 /nfs/dbraw/zinc/36/84/94/174368494.db2.gz CCTYLDUTECGCFQ-UHFFFAOYSA-N 1 2 218.256 1.842 10 0 BDAELO COCCc1nc([C@@H]2CCCC[NH2+]2)no1 ZINC000053732235 174425382 /nfs/dbraw/zinc/42/53/82/174425382.db2.gz RPDMMRVKBYIJBF-QMMMGPOBSA-N 1 2 211.265 1.073 10 0 BDAELO COc1cc(OC)cc([C@H]([NH3+])c2ncon2)c1 ZINC000036762083 175011036 /nfs/dbraw/zinc/01/10/36/175011036.db2.gz SOBRCXCAYJXIDC-JTQLQIEISA-N 1 2 235.243 1.135 10 0 BDAELO COc1ccc(-c2nc(N)cc(C)[nH+]2)cc1O ZINC000050866291 175038974 /nfs/dbraw/zinc/03/89/74/175038974.db2.gz ITKCKVZJULOAJK-UHFFFAOYSA-N 1 2 231.255 1.748 10 0 BDAELO COc1ccc(NCc2[nH]cc[nH+]2)cc1O ZINC000049715380 175153314 /nfs/dbraw/zinc/15/33/14/175153314.db2.gz RDGGGLBSPVYVCT-UHFFFAOYSA-N 1 2 219.244 1.736 10 0 BDAELO COc1ccccc1[C@@H]([NH3+])c1ncon1 ZINC000036761942 175347273 /nfs/dbraw/zinc/34/72/73/175347273.db2.gz GLQPXWJZMFNIMP-SECBINFHSA-N 1 2 205.217 1.126 10 0 BDAELO CCOc1nnc(C[NH2+][C@@H](C)COC)s1 ZINC000309052517 487631852 /nfs/dbraw/zinc/63/18/52/487631852.db2.gz RSBIYONZKXGXNO-ZETCQYMHSA-N 1 2 231.321 1.061 10 0 BDAELO C[C@@H](O)[C@H]([NH3+])c1nc(C2CCCCC2)no1 ZINC000022150286 175995782 /nfs/dbraw/zinc/99/57/82/175995782.db2.gz YGQURLUNRDTQRY-APPZFPTMSA-N 1 2 225.292 1.498 10 0 BDAELO C[C@@H]1CCOCCN1c1nc[nH+]c(N)c1Cl ZINC000302858158 176190074 /nfs/dbraw/zinc/19/00/74/176190074.db2.gz SWRNQMQUSHTMDY-SSDOTTSWSA-N 1 2 242.710 1.327 10 0 BDAELO C[C@@H]1C[N@H+](C[C@@H]2CNc3ccccc3O2)CCO1 ZINC000020072089 176298276 /nfs/dbraw/zinc/29/82/76/176298276.db2.gz JKLRPUQQJCBTBV-NEPJUHHUSA-N 1 2 248.326 1.580 10 0 BDAELO C[C@@H]1C[N@@H+](C[C@@H]2CNc3ccccc3O2)CCO1 ZINC000020072089 176298277 /nfs/dbraw/zinc/29/82/77/176298277.db2.gz JKLRPUQQJCBTBV-NEPJUHHUSA-N 1 2 248.326 1.580 10 0 BDAELO C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccc(CO)o1 ZINC000093607152 176346864 /nfs/dbraw/zinc/34/68/64/176346864.db2.gz HHPPHCSPRIQMJS-NXEZZACHSA-N 1 2 225.288 1.381 10 0 BDAELO C[C@H]([NH2+]Cc1cnccn1)c1ccco1 ZINC000054765800 176882067 /nfs/dbraw/zinc/88/20/67/176882067.db2.gz NAICHTDPCUEZSJ-VIFPVBQESA-N 1 2 203.245 1.920 10 0 BDAELO C[C@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H](C)O1 ZINC000041363424 177244046 /nfs/dbraw/zinc/24/40/46/177244046.db2.gz FGLQGOJMFFNADA-RYUDHWBXSA-N 1 2 240.347 1.108 10 0 BDAELO C[C@@H]1C[N@@H+](CN2CCCCC2=O)C[C@H](C)O1 ZINC000012341194 177256689 /nfs/dbraw/zinc/25/66/89/177256689.db2.gz LADXOBIJTKLILR-PHIMTYICSA-N 1 2 226.320 1.066 10 0 BDAELO C[C@@H]1C[N@H+](CN2CCCCC2=O)C[C@H](C)O1 ZINC000012341194 177256691 /nfs/dbraw/zinc/25/66/91/177256691.db2.gz LADXOBIJTKLILR-PHIMTYICSA-N 1 2 226.320 1.066 10 0 BDAELO C[C@H]1COCCN1Cc1[nH]c2ccc(N)cc2[nH+]1 ZINC000035773422 177293791 /nfs/dbraw/zinc/29/37/91/177293791.db2.gz ZMDYUFSZHGPKFH-VIFPVBQESA-N 1 2 246.314 1.366 10 0 BDAELO C[C@H]1C[C@H]1Nc1cc(C(N)=S)cc[nH+]1 ZINC000052292519 177386335 /nfs/dbraw/zinc/38/63/35/177386335.db2.gz PSVDWJQIIGKYQP-POYBYMJQSA-N 1 2 207.302 1.536 10 0 BDAELO COC(=O)[C@H]1[NH2+]C[C@]12CCCC(C)(C)C2 ZINC000521400101 262778629 /nfs/dbraw/zinc/77/86/29/262778629.db2.gz AVEGYLKBCJBJJA-BXKDBHETSA-N 1 2 211.305 1.718 10 0 BDAELO OCC[N@H+](CC(F)F)C[C@@H]1CCC[C@H](O)C1 ZINC000381580493 487513796 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/nfs/dbraw/zinc/93/89/64/523938964.db2.gz IZDORJYDRDJQAE-JTQLQIEISA-N 1 2 211.236 1.601 10 0 BDAELO Cc1ccc([C@@H](N)c2noc(C[NH3+])n2)cc1F ZINC000095533053 525767692 /nfs/dbraw/zinc/76/76/92/525767692.db2.gz OYSQDSNFEKIKGU-SNVBAGLBSA-N 1 2 236.250 1.024 10 0 BDAELO CC(C)n1nnnc1C[NH2+][C@H](C)c1ccccn1 ZINC000181788388 535170601 /nfs/dbraw/zinc/17/06/01/535170601.db2.gz JSDZMNQELJLPIT-SNVBAGLBSA-N 1 2 246.318 1.500 10 0 BDAELO CC[C@H](C)[C@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000183521510 535929661 /nfs/dbraw/zinc/92/96/61/535929661.db2.gz IRXOJYQQCSFXJH-SDDRHHMPSA-N 1 2 242.363 1.115 10 0 BDAELO CC[C@H](C)[C@H](C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000183521510 535929657 /nfs/dbraw/zinc/92/96/57/535929657.db2.gz IRXOJYQQCSFXJH-SDDRHHMPSA-N 1 2 242.363 1.115 10 0 BDAELO Cc1c[nH+]ccc1CCn1ccc(N)n1 ZINC000397534862 583101211 /nfs/dbraw/zinc/10/12/11/583101211.db2.gz OKQNXLJSYVJSDG-UHFFFAOYSA-N 1 2 202.261 1.242 10 0 BDAELO C[C@H](O)c1cccc(NC[C@H](O)C(C)(C)C)[nH+]1 ZINC000892501699 582898900 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539006613 /nfs/dbraw/zinc/00/66/13/539006613.db2.gz RGPXDKLKJMOLEA-CMPLNLGQSA-N 1 2 222.336 1.148 10 0 BDAELO c1csc([C@@H]2[NH2+]CCc3occc32)n1 ZINC000710002662 539027729 /nfs/dbraw/zinc/02/77/29/539027729.db2.gz MOLQZQSSQPDSQI-SECBINFHSA-N 1 2 206.270 1.971 10 0 BDAELO CC(C)[N@@H+]1CC[C@@H](NC(=O)C(F)(F)F)C1 ZINC000165187025 342880788 /nfs/dbraw/zinc/88/07/88/342880788.db2.gz NPVZXBAJIVOKIP-SSDOTTSWSA-N 1 2 224.226 1.148 10 0 BDAELO CCCc1noc(C[NH2+][C@H](C)COC)n1 ZINC000309031865 342882136 /nfs/dbraw/zinc/88/21/36/342882136.db2.gz FGTPUPSVLMETMC-MRVPVSSYSA-N 1 2 213.281 1.147 10 0 BDAELO COC(COc1ccc(-n2cc[nH+]c2)cc1)OC ZINC000015042035 342891110 /nfs/dbraw/zinc/89/11/10/342891110.db2.gz OKYWTEIGXFRPQB-UHFFFAOYSA-N 1 2 248.282 1.870 10 0 BDAELO CCc1cc(N[C@H]2CCC[C@H](O)C2)nc[nH+]1 ZINC000309952664 343108382 /nfs/dbraw/zinc/10/83/82/343108382.db2.gz GXCYULDYISEMNJ-QWRGUYRKSA-N 1 2 221.304 1.754 10 0 BDAELO COc1c(N)[nH+]cnc1N1CCS[C@@H](C)C1 ZINC000123872783 343166393 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227.314 1.656 10 0 BDAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(CO)o2)o1 ZINC000231531636 538106614 /nfs/dbraw/zinc/10/66/14/538106614.db2.gz AJBBQIHQPVNQGL-SECBINFHSA-N 1 2 236.271 1.919 10 0 BDAELO CC(=O)SC1CN(C2=[NH+]CCS2)C1 ZINC000036438989 188112605 /nfs/dbraw/zinc/11/26/05/188112605.db2.gz FOCHWRRZRMBNMV-UHFFFAOYSA-N 1 2 216.331 1.053 10 0 BDAELO Cc1ccc(C(=O)NCC[NH2+]CC(F)F)cc1 ZINC000037902908 188114458 /nfs/dbraw/zinc/11/44/58/188114458.db2.gz CNESZKPINKHWEH-UHFFFAOYSA-N 1 2 242.269 1.580 10 0 BDAELO CNc1nc[nH+]c(Nc2ccc(F)cc2)c1N ZINC000040706984 188118223 /nfs/dbraw/zinc/11/82/23/188118223.db2.gz JWCOJVDHKXGNAU-UHFFFAOYSA-N 1 2 233.250 1.983 10 0 BDAELO CNc1[nH+]cnc(Nc2ccc(F)cc2)c1N ZINC000040706984 188118224 /nfs/dbraw/zinc/11/82/24/188118224.db2.gz JWCOJVDHKXGNAU-UHFFFAOYSA-N 1 2 233.250 1.983 10 0 BDAELO C[NH+](C)c1ccc(N2CC[C@@H](CO)C2)cc1 ZINC000049474418 188124115 /nfs/dbraw/zinc/12/41/15/188124115.db2.gz NSWWLFVEXMDNLM-LLVKDONJSA-N 1 2 220.316 1.571 10 0 BDAELO CN(C)c1ccc([N@@H+]2CC[C@@H](CO)C2)cc1 ZINC000049474418 188124117 /nfs/dbraw/zinc/12/41/17/188124117.db2.gz NSWWLFVEXMDNLM-LLVKDONJSA-N 1 2 220.316 1.571 10 0 BDAELO CN(C)c1ccc([N@H+]2CC[C@@H](CO)C2)cc1 ZINC000049474418 188124118 /nfs/dbraw/zinc/12/41/18/188124118.db2.gz NSWWLFVEXMDNLM-LLVKDONJSA-N 1 2 220.316 1.571 10 0 BDAELO CCO[C@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC000079839224 538111189 /nfs/dbraw/zinc/11/11/89/538111189.db2.gz IZKWLXODFALTDT-BDAKNGLRSA-N 1 2 215.293 1.095 10 0 BDAELO CC(=O)Nc1ccc(C2=CS[C@H]([NH3+])O2)cc1 ZINC000096328106 188188226 /nfs/dbraw/zinc/18/82/26/188188226.db2.gz KXLVVVLDWQJMAQ-LLVKDONJSA-N 1 2 236.296 1.949 10 0 BDAELO COc1ccc[nH+]c1N1CCC(=O)CC1 ZINC000160180910 353376837 /nfs/dbraw/zinc/37/68/37/353376837.db2.gz XQQNGEFLJYEYLN-UHFFFAOYSA-N 1 2 206.245 1.260 10 0 BDAELO c1[nH]nnc1C[NH2+][C@H]1CCc2ccccc21 ZINC000398355311 363224909 /nfs/dbraw/zinc/22/49/09/363224909.db2.gz VDHYEHQOIFLRRV-LBPRGKRZSA-N 1 2 214.272 1.582 10 0 BDAELO c1n[nH]nc1C[NH2+][C@H]1CCc2ccccc21 ZINC000398355311 363224913 /nfs/dbraw/zinc/22/49/13/363224913.db2.gz VDHYEHQOIFLRRV-LBPRGKRZSA-N 1 2 214.272 1.582 10 0 BDAELO COC(=O)[C@H]([NH2+][C@H](C)[C@@H]1CCCO1)C1CC1 ZINC000230631969 363314509 /nfs/dbraw/zinc/31/45/09/363314509.db2.gz ZRQCPIKMECYVQW-DVVUODLYSA-N 1 2 227.304 1.095 10 0 BDAELO CCC(F)(F)C[N@@H+]1C[C@@H](OC)C[C@H]1CO ZINC000639635651 356549537 /nfs/dbraw/zinc/54/95/37/356549537.db2.gz JTGYUBTWJRVSGQ-IUCAKERBSA-N 1 2 223.263 1.113 10 0 BDAELO CCC(F)(F)C[N@H+]1C[C@@H](OC)C[C@H]1CO ZINC000639635651 356549541 /nfs/dbraw/zinc/54/95/41/356549541.db2.gz JTGYUBTWJRVSGQ-IUCAKERBSA-N 1 2 223.263 1.113 10 0 BDAELO CC[C@H](C)[C@H]1CS(=O)(=O)[C@@H](C)CC[NH2+]1 ZINC000226419220 356983637 /nfs/dbraw/zinc/98/36/37/356983637.db2.gz LRRDIYFVRPCUBB-LPEHRKFASA-N 1 2 219.350 1.198 10 0 BDAELO C[C@@H]1CC[NH2+]C[C@@H]1Nc1nc(C2CC2)ns1 ZINC000389749850 357025270 /nfs/dbraw/zinc/02/52/70/357025270.db2.gz JTMBPXALGRLTNZ-APPZFPTMSA-N 1 2 238.360 1.247 10 0 BDAELO CCn1cc[nH+]c1CN=c1cc(C)o[nH]1 ZINC000389897704 357062959 /nfs/dbraw/zinc/06/29/59/357062959.db2.gz BAEAHFHLMNWXMX-UHFFFAOYSA-N 1 2 206.249 1.233 10 0 BDAELO CC[C@@H]1[NH2+]CN(C[C@H]2CCCS2)C1=O ZINC000130003599 357137595 /nfs/dbraw/zinc/13/75/95/357137595.db2.gz MXMGWBOHLSRHFP-BDAKNGLRSA-N 1 2 214.334 1.050 10 0 BDAELO CCn1cc[nH+]c1CSc1nccnc1N ZINC000234190601 357776249 /nfs/dbraw/zinc/77/62/49/357776249.db2.gz NZIJNGSZULLVIA-UHFFFAOYSA-N 1 2 235.316 1.568 10 0 BDAELO CCN1C=C/C(=C\C(N)=O)c2ccc(C)[nH+]c21 ZINC000584590815 358249054 /nfs/dbraw/zinc/24/90/54/358249054.db2.gz WRAVVXIOGFJUOB-CSKARUKUSA-N 1 2 229.283 1.612 10 0 BDAELO c1nnnn1Cc1c[nH]c(C2CCCCC2)[nH+]1 ZINC000584615698 358280539 /nfs/dbraw/zinc/28/05/39/358280539.db2.gz HURGFXHGEUAXNJ-UHFFFAOYSA-N 1 2 232.291 1.492 10 0 BDAELO O=C1CC[N@@H+]2CCc3cc4c(cc3[C@H]2C1)OCO4 ZINC000584625315 358294008 /nfs/dbraw/zinc/29/40/08/358294008.db2.gz KCSBGSDPSVFYAF-GFCCVEGCSA-N 1 2 245.278 1.677 10 0 BDAELO O=C1CC[N@H+]2CCc3cc4c(cc3[C@H]2C1)OCO4 ZINC000584625315 358294012 /nfs/dbraw/zinc/29/40/12/358294012.db2.gz KCSBGSDPSVFYAF-GFCCVEGCSA-N 1 2 245.278 1.677 10 0 BDAELO Cl/C=C/CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173940616 134277180 /nfs/dbraw/zinc/27/71/80/134277180.db2.gz BLWWVCBHCOBXLC-VEPLAOFISA-N 1 2 230.739 1.145 10 0 BDAELO Cc1cc(N2CCC[C@@H]2CCCO)nc[nH+]1 ZINC000052761576 358792087 /nfs/dbraw/zinc/79/20/87/358792087.db2.gz LFZZSMJAIRLZEV-LLVKDONJSA-N 1 2 221.304 1.526 10 0 BDAELO COC[C@H](C)[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000247201201 359200474 /nfs/dbraw/zinc/20/04/74/359200474.db2.gz CAPQRFPIWWYKPS-VHSXEESVSA-N 1 2 242.344 1.551 10 0 BDAELO COC[C@H](C)[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000247201201 359200478 /nfs/dbraw/zinc/20/04/78/359200478.db2.gz CAPQRFPIWWYKPS-VHSXEESVSA-N 1 2 242.344 1.551 10 0 BDAELO CSC1([C@@H](O)c2ccc[nH+]c2N)CC1 ZINC000306537115 360403007 /nfs/dbraw/zinc/40/30/07/360403007.db2.gz LCQVYQYZCTZMIJ-QMMMGPOBSA-N 1 2 210.302 1.593 10 0 BDAELO Cc1[nH+]cccc1C[C@@H]1CSC[C@@H]1O ZINC000306554904 360427838 /nfs/dbraw/zinc/42/78/38/360427838.db2.gz CJJRULOYEXFENV-MNOVXSKESA-N 1 2 209.314 1.656 10 0 BDAELO CCC[C@H]1[NH2+]CN([C@H]2CCSC2)C1=O ZINC000231468276 360433047 /nfs/dbraw/zinc/43/30/47/360433047.db2.gz FLAOPHPGXGJSFE-DTWKUNHWSA-N 1 2 214.334 1.050 10 0 BDAELO COc1cc([C@@H]([NH3+])c2ccns2)sn1 ZINC000306596161 360517253 /nfs/dbraw/zinc/51/72/53/360517253.db2.gz YPECGEGMZZRWBA-QMMMGPOBSA-N 1 2 227.314 1.656 10 0 BDAELO COc1[nH+]ccc(N)c1OC(F)(F)F ZINC000238427228 361032229 /nfs/dbraw/zinc/03/22/29/361032229.db2.gz IHWQEYYFLGTJPQ-UHFFFAOYSA-N 1 2 208.139 1.571 10 0 BDAELO Cc1c[nH+]c(N)c(C(=O)c2ccco2)c1 ZINC000069942922 361173839 /nfs/dbraw/zinc/17/38/39/361173839.db2.gz YGRBJIXANKKFKK-UHFFFAOYSA-N 1 2 202.213 1.796 10 0 BDAELO CCn1nc(C)cc1-c1ccc(N)[nH+]c1 ZINC000629745379 361681064 /nfs/dbraw/zinc/68/10/64/361681064.db2.gz XUGBQSPSOWGRMZ-UHFFFAOYSA-N 1 2 202.261 1.686 10 0 BDAELO CC(C)c1nsc(N[C@@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000630532390 364222308 /nfs/dbraw/zinc/22/23/08/364222308.db2.gz IGCDFUWZBGAUOD-RKDXNWHRSA-N 1 2 240.376 1.636 10 0 BDAELO C[C@H]1CC[C@H](Nc2nc(C3CC3)ns2)C[NH2+]1 ZINC000630533998 364226951 /nfs/dbraw/zinc/22/69/51/364226951.db2.gz SLXNGCOIIOPQOG-CBAPKCEASA-N 1 2 238.360 1.390 10 0 BDAELO [NH3+]CC[NH2+]Cc1cccc(Br)c1 ZINC000037712264 181396029 /nfs/dbraw/zinc/39/60/29/181396029.db2.gz MCLIOCNDCZNPOH-UHFFFAOYSA-N 1 2 229.121 1.497 10 0 BDAELO COCCC[N@H+](C)Cc1nnc(C(C)C)n1C ZINC000195113977 367339439 /nfs/dbraw/zinc/33/94/39/367339439.db2.gz DACQFLCKWSLJBG-UHFFFAOYSA-N 1 2 240.351 1.407 10 0 BDAELO COCCC[N@@H+](C)Cc1nnc(C(C)C)n1C ZINC000195113977 367339443 /nfs/dbraw/zinc/33/94/43/367339443.db2.gz DACQFLCKWSLJBG-UHFFFAOYSA-N 1 2 240.351 1.407 10 0 BDAELO Cn1cc[nH+]c1[C@@H](NO)c1cccs1 ZINC000132127796 371755678 /nfs/dbraw/zinc/75/56/78/371755678.db2.gz IHBVSSNWNAUJQH-QMMMGPOBSA-N 1 2 209.274 1.550 10 0 BDAELO CN(C)n1c(N)[nH+]c2c1cccc2Cl ZINC000163148838 371939590 /nfs/dbraw/zinc/93/95/90/371939590.db2.gz WJIUXFJZJQOFDR-UHFFFAOYSA-N 1 2 210.668 1.470 10 0 BDAELO C[N@@H+]1CCO[C@H]([C@@H](O)c2ccsc2)C1 ZINC000217832596 372017502 /nfs/dbraw/zinc/01/75/02/372017502.db2.gz FPXSIVGGAIOIGR-UWVGGRQHSA-N 1 2 213.302 1.112 10 0 BDAELO C[N@H+]1CCO[C@H]([C@@H](O)c2ccsc2)C1 ZINC000217832596 372017506 /nfs/dbraw/zinc/01/75/06/372017506.db2.gz FPXSIVGGAIOIGR-UWVGGRQHSA-N 1 2 213.302 1.112 10 0 BDAELO Cc1c[nH+]cc(C[C@H]2CSC[C@H]2O)c1 ZINC000228632810 372060224 /nfs/dbraw/zinc/06/02/24/372060224.db2.gz CDXURKGJNOKMRN-WDEREUQCSA-N 1 2 209.314 1.656 10 0 BDAELO C[C@@H]1CC[S@](=O)C[C@@H](c2ccco2)[NH2+]1 ZINC000228748852 372075861 /nfs/dbraw/zinc/07/58/61/372075861.db2.gz HGTOEDAPEROTGC-ITMYJUKJSA-N 1 2 213.302 1.451 10 0 BDAELO O=C(C1CCCCC1)N1CCn2cc[nH+]c2C1 ZINC000074784971 181870501 /nfs/dbraw/zinc/87/05/01/181870501.db2.gz JEYCQINVFLJDKK-UHFFFAOYSA-N 1 2 233.315 1.806 10 0 BDAELO C[C@H]1C[NH2+][C@@H](c2c(Cl)cnn2C)S1 ZINC000307592484 372130375 /nfs/dbraw/zinc/13/03/75/372130375.db2.gz FFORMJLOSHXOAR-YLWLKBPMSA-N 1 2 217.725 1.797 10 0 BDAELO Nc1[nH+]cccc1[C@@H](O)c1cccs1 ZINC000069843337 373874641 /nfs/dbraw/zinc/87/46/41/373874641.db2.gz QHYVVVPBIRWLIM-SECBINFHSA-N 1 2 206.270 1.807 10 0 BDAELO CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000174012757 374129048 /nfs/dbraw/zinc/12/90/48/374129048.db2.gz AZEKAKVZKCIKJC-JTQLQIEISA-N 1 2 244.298 1.862 10 0 BDAELO O=[S@@]1CC[NH2+][C@@H](c2ccc(Cl)s2)C1 ZINC000070674606 374174953 /nfs/dbraw/zinc/17/49/53/374174953.db2.gz CKOHANYGRAVKQD-UANNBLPKSA-N 1 2 235.761 1.795 10 0 BDAELO CCCCOC(=O)C[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC000104411723 168883851 /nfs/dbraw/zinc/88/38/51/168883851.db2.gz PFWLYYDPLGWNEM-GFCCVEGCSA-N 1 2 241.331 1.631 10 0 BDAELO CCCCOC(=O)C[N@H+]1CCC[C@@H](C(C)=O)C1 ZINC000104411723 168883853 /nfs/dbraw/zinc/88/38/53/168883853.db2.gz PFWLYYDPLGWNEM-GFCCVEGCSA-N 1 2 241.331 1.631 10 0 BDAELO O=c1[nH]c([NH2+]Cc2cn[nH]c2)cc2ccccc21 ZINC000038006558 182972637 /nfs/dbraw/zinc/97/26/37/182972637.db2.gz UQGJUWYIKWSVRS-UHFFFAOYSA-N 1 2 240.266 1.863 10 0 BDAELO O=C1NC(=S)SC1=Cc1c[nH]c[nH+]1 ZINC000035029758 183024304 /nfs/dbraw/zinc/02/43/04/183024304.db2.gz IIVVOGXJLNLYNA-KTAJNNJTSA-N 1 2 211.271 1.739 10 0 BDAELO OC[C@@H]1CCCN1c1cc(NCC2CC2)[nH+]cn1 ZINC000264926849 183120830 /nfs/dbraw/zinc/12/08/30/183120830.db2.gz NUBJGNGYQDMYJM-NSHDSACASA-N 1 2 248.330 1.260 10 0 BDAELO OC[C@@H]1CCCN1c1cc(NCC2CC2)nc[nH+]1 ZINC000264926849 183120831 /nfs/dbraw/zinc/12/08/31/183120831.db2.gz NUBJGNGYQDMYJM-NSHDSACASA-N 1 2 248.330 1.260 10 0 BDAELO OCc1cccc(NCc2c[nH+]c[nH]2)c1 ZINC000054764640 183167298 /nfs/dbraw/zinc/16/72/98/183167298.db2.gz QBJGMVRSMKBZDX-UHFFFAOYSA-N 1 2 203.245 1.514 10 0 BDAELO OCc1cccc(NCc2c[nH]c[nH+]2)c1 ZINC000054764640 183167300 /nfs/dbraw/zinc/16/73/00/183167300.db2.gz QBJGMVRSMKBZDX-UHFFFAOYSA-N 1 2 203.245 1.514 10 0 BDAELO Nc1ccc(N2CCn3c(Cl)cnc3C2)[nH+]c1 ZINC000409434932 383842265 /nfs/dbraw/zinc/84/22/65/383842265.db2.gz RJEFMZBTQGHUFC-UHFFFAOYSA-N 1 2 249.705 1.534 10 0 BDAELO Cc1nc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)no1 ZINC000116314449 384128634 /nfs/dbraw/zinc/12/86/34/384128634.db2.gz PWZGAGNHFLJCOL-JTQLQIEISA-N 1 2 247.302 1.101 10 0 BDAELO Cc1nc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)no1 ZINC000116314449 384128636 /nfs/dbraw/zinc/12/86/36/384128636.db2.gz PWZGAGNHFLJCOL-JTQLQIEISA-N 1 2 247.302 1.101 10 0 BDAELO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(c2cnccn2)C1 ZINC000643745024 384151243 /nfs/dbraw/zinc/15/12/43/384151243.db2.gz LOYXXRQSENJXTO-ZJUUUORDSA-N 1 2 245.286 1.166 10 0 BDAELO Cc1csc([C@@H]([NH3+])c2cscn2)n1 ZINC000126574487 384280137 /nfs/dbraw/zinc/28/01/37/384280137.db2.gz RBPWGXXMKAUVMP-ZETCQYMHSA-N 1 2 211.315 1.956 10 0 BDAELO COC(=O)[C@@H]1CC[N@H+](Cc2ccon2)C[C@H]1C ZINC000249047577 384469264 /nfs/dbraw/zinc/46/92/64/384469264.db2.gz HOVSWVXWINBYRD-MWLCHTKSSA-N 1 2 238.287 1.306 10 0 BDAELO COC(=O)[C@@H]1CC[N@@H+](Cc2ccon2)C[C@H]1C ZINC000249047577 384469269 /nfs/dbraw/zinc/46/92/69/384469269.db2.gz HOVSWVXWINBYRD-MWLCHTKSSA-N 1 2 238.287 1.306 10 0 BDAELO COC(=O)[C@H]1CC[C@@H](c2cccc(F)c2)C[NH2+]1 ZINC000079026669 384478590 /nfs/dbraw/zinc/47/85/90/384478590.db2.gz NIJBPXNAHVAXOQ-ZYHUDNBSSA-N 1 2 237.274 1.834 10 0 BDAELO COC(=O)[C@@H]1C[C@H](c2ccc(O)cc2)CC[NH2+]1 ZINC000079026303 384479845 /nfs/dbraw/zinc/47/98/45/384479845.db2.gz VPGZUBRMCOSCBK-PWSUYJOCSA-N 1 2 235.283 1.401 10 0 BDAELO C[C@H](NC[C@@H]1C[N@H+](C)CCO1)c1cscn1 ZINC000161578909 384505339 /nfs/dbraw/zinc/50/53/39/384505339.db2.gz HHSQWKWIDJMUMG-VHSXEESVSA-N 1 2 241.360 1.124 10 0 BDAELO C[C@H](NC[C@@H]1C[N@@H+](C)CCO1)c1cscn1 ZINC000161578909 384505341 /nfs/dbraw/zinc/50/53/41/384505341.db2.gz HHSQWKWIDJMUMG-VHSXEESVSA-N 1 2 241.360 1.124 10 0 BDAELO CCOCC[N@@H+]1CCN(CCSC)C[C@@H]1C ZINC000171630645 384616541 /nfs/dbraw/zinc/61/65/41/384616541.db2.gz QTNMPDCNNAADPL-LBPRGKRZSA-N 1 2 246.420 1.392 10 0 BDAELO CCOCC[N@H+]1CCN(CCSC)C[C@@H]1C ZINC000171630645 384616546 /nfs/dbraw/zinc/61/65/46/384616546.db2.gz QTNMPDCNNAADPL-LBPRGKRZSA-N 1 2 246.420 1.392 10 0 BDAELO FC(F)CNc1cc(NCC(F)F)[nH+]cn1 ZINC000126039676 384726117 /nfs/dbraw/zinc/72/61/17/384726117.db2.gz KKIQCIVTEHPITE-UHFFFAOYSA-N 1 2 238.188 1.831 10 0 BDAELO O=C1NCC[NH2+][C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000051924893 384704665 /nfs/dbraw/zinc/70/46/65/384704665.db2.gz PYBLTGJGVAFJCT-SECBINFHSA-N 1 2 245.109 1.754 10 0 BDAELO Nc1cc[nH+]c(-c2ccnc(Cl)n2)c1 ZINC000072204410 384818549 /nfs/dbraw/zinc/81/85/49/384818549.db2.gz OOGHSHZJOCQTKN-UHFFFAOYSA-N 1 2 206.636 1.774 10 0 BDAELO Cc1cc[nH+]c(N[C@@H]2C[C@H]2CO)c1Cl ZINC000306266309 384837774 /nfs/dbraw/zinc/83/77/74/384837774.db2.gz FZIJCAKXTDPWMX-JGVFFNPUSA-N 1 2 212.680 1.836 10 0 BDAELO Cn1ncnc1CNc1ccc2ccccc2[nH+]1 ZINC000301466570 384877615 /nfs/dbraw/zinc/87/76/15/384877615.db2.gz XNAJQCIXMGZGOQ-UHFFFAOYSA-N 1 2 239.282 1.975 10 0 BDAELO [NH3+]Cc1nnc(COc2ccc(F)cc2F)[nH]1 ZINC000072236536 384840569 /nfs/dbraw/zinc/84/05/69/384840569.db2.gz GLUPKHJVGREHIT-UHFFFAOYSA-N 1 2 240.213 1.121 10 0 BDAELO c1ccc2nnc([C@H]3COCC[NH2+]3)cc2c1 ZINC000259266353 384917275 /nfs/dbraw/zinc/91/72/75/384917275.db2.gz AYBUMVVHWUSJFL-GFCCVEGCSA-N 1 2 215.256 1.291 10 0 BDAELO CC[C@@H](C)[C@H](Nc1cc(C)[nH+]cn1)C(N)=O ZINC000301855757 384935719 /nfs/dbraw/zinc/93/57/19/384935719.db2.gz RASSCRDHVCOLSE-XCBNKYQSSA-N 1 2 222.292 1.097 10 0 BDAELO CCOC(=O)[C@]1(C)CN(C)c2[nH+]cccc2O1 ZINC000085353814 384938707 /nfs/dbraw/zinc/93/87/07/384938707.db2.gz DJUXPCHOFVCFNM-LBPRGKRZSA-N 1 2 236.271 1.232 10 0 BDAELO Cn1cc([C@@H]2CC[N@H+](Cc3csnn3)C2)cn1 ZINC000128518818 385046371 /nfs/dbraw/zinc/04/63/71/385046371.db2.gz HSYYOKTVHCCLJX-SECBINFHSA-N 1 2 249.343 1.261 10 0 BDAELO Cn1cc([C@@H]2CC[N@@H+](Cc3csnn3)C2)cn1 ZINC000128518818 385046376 /nfs/dbraw/zinc/04/63/76/385046376.db2.gz HSYYOKTVHCCLJX-SECBINFHSA-N 1 2 249.343 1.261 10 0 BDAELO CNc1snnc1C[N@@H+]1CCC[C@@H]1C ZINC000050791669 385214094 /nfs/dbraw/zinc/21/40/94/385214094.db2.gz OHSVOWSLVSEQNO-ZETCQYMHSA-N 1 2 212.322 1.564 10 0 BDAELO CNc1snnc1C[N@H+]1CCC[C@@H]1C ZINC000050791669 385214099 /nfs/dbraw/zinc/21/40/99/385214099.db2.gz OHSVOWSLVSEQNO-ZETCQYMHSA-N 1 2 212.322 1.564 10 0 BDAELO FCCC[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000131011097 385302432 /nfs/dbraw/zinc/30/24/32/385302432.db2.gz JLCUMGGRFBWAKN-VIFPVBQESA-N 1 2 230.308 1.876 10 0 BDAELO FCCC[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000131011097 385302435 /nfs/dbraw/zinc/30/24/35/385302435.db2.gz JLCUMGGRFBWAKN-VIFPVBQESA-N 1 2 230.308 1.876 10 0 BDAELO C/C(=C\c1ccc2[nH+]ccn2c1)[N+](=O)[O-] ZINC000034169375 385272224 /nfs/dbraw/zinc/27/22/24/385272224.db2.gz IGUKSQJRFIRUAT-SOFGYWHQSA-N 1 2 203.201 1.972 10 0 BDAELO C[C@@H]1C[C@@H]([NH2+]Cc2cscn2)CN1C ZINC000156201183 385441358 /nfs/dbraw/zinc/44/13/58/385441358.db2.gz CBFLILFDMREALB-RKDXNWHRSA-N 1 2 211.334 1.325 10 0 BDAELO C[C@H]1C[C@H]([NH2+]Cc2cscn2)CN1C ZINC000156201068 385442116 /nfs/dbraw/zinc/44/21/16/385442116.db2.gz CBFLILFDMREALB-IUCAKERBSA-N 1 2 211.334 1.325 10 0 BDAELO Cc1cnn([C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)c1 ZINC000179543998 385472042 /nfs/dbraw/zinc/47/20/42/385472042.db2.gz WSPNINBIQXEMPW-CYBMUJFWSA-N 1 2 245.330 1.752 10 0 BDAELO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)c1 ZINC000179543998 385472045 /nfs/dbraw/zinc/47/20/45/385472045.db2.gz WSPNINBIQXEMPW-CYBMUJFWSA-N 1 2 245.330 1.752 10 0 BDAELO CC(C)(O)C[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000171439557 385484525 /nfs/dbraw/zinc/48/45/25/385484525.db2.gz CXBQTZGBJYBWIF-SECBINFHSA-N 1 2 242.344 1.287 10 0 BDAELO CC(C)(O)C[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000171439557 385484528 /nfs/dbraw/zinc/48/45/28/385484528.db2.gz CXBQTZGBJYBWIF-SECBINFHSA-N 1 2 242.344 1.287 10 0 BDAELO C[C@H]([NH3+])CCNc1nnc(C(F)F)s1 ZINC000336690208 385718490 /nfs/dbraw/zinc/71/84/90/385718490.db2.gz OLHKVFNIRXZFNM-BYPYZUCNSA-N 1 2 222.264 1.047 10 0 BDAELO C[C@@H]1C[C@@H]1Nc1cc(C(N)=S)cc[nH+]1 ZINC000052292512 385722278 /nfs/dbraw/zinc/72/22/78/385722278.db2.gz PSVDWJQIIGKYQP-SVRRBLITSA-N 1 2 207.302 1.536 10 0 BDAELO C[C@@H]([NH2+]Cc1nnsc1Cl)[C@@H]1CCCO1 ZINC000309139303 385983639 /nfs/dbraw/zinc/98/36/39/385983639.db2.gz SRDDBCFMOXMLFX-SVRRBLITSA-N 1 2 247.751 1.849 10 0 BDAELO COC(=O)[C@@H]1[NH2+]CC12CCC(F)(F)CC2 ZINC000521400165 386444335 /nfs/dbraw/zinc/44/43/35/386444335.db2.gz CWCBDYBOJBBXMB-ZETCQYMHSA-N 1 2 219.231 1.327 10 0 BDAELO Cc1ccnc(N2CCC[C@H]2Cn2cc[nH+]c2)n1 ZINC000267405848 386540026 /nfs/dbraw/zinc/54/00/26/386540026.db2.gz QRJXNYUHZYUBFO-LBPRGKRZSA-N 1 2 243.314 1.651 10 0 BDAELO c1cn(C[C@@H]2CCCN2c2ncccn2)c[nH+]1 ZINC000301538367 386852883 /nfs/dbraw/zinc/85/28/83/386852883.db2.gz JKHQLPQYUJRJFY-NSHDSACASA-N 1 2 229.287 1.342 10 0 BDAELO CSc1ccc(N(C)Cc2[nH+]ccn2C)nn1 ZINC000301916440 386891506 /nfs/dbraw/zinc/89/15/06/386891506.db2.gz JDNQJTIAZFATHH-UHFFFAOYSA-N 1 2 249.343 1.568 10 0 BDAELO CC1=NN(Cc2ccccc2)C(=O)C1C[NH3+] ZINC000575575676 387005358 /nfs/dbraw/zinc/00/53/58/387005358.db2.gz DFJXCZCXXBERBZ-UHFFFAOYSA-N 1 2 217.272 1.404 10 0 BDAELO Cc1[nH]n(Cc2ccccc2)c(=O)c1C[NH3+] ZINC000575575676 387005364 /nfs/dbraw/zinc/00/53/64/387005364.db2.gz DFJXCZCXXBERBZ-UHFFFAOYSA-N 1 2 217.272 1.404 10 0 BDAELO CCn1cc[nH+]c1CSC[C@@H](C)CO ZINC000084211586 387441720 /nfs/dbraw/zinc/44/17/20/387441720.db2.gz AFAGYGYRNUSZAZ-VIFPVBQESA-N 1 2 214.334 1.765 10 0 BDAELO c1cnn(C[C@@H]2C[N@H+](Cc3ccco3)CCO2)c1 ZINC000122151286 387487695 /nfs/dbraw/zinc/48/76/95/387487695.db2.gz QPZIQGALRRTCFX-ZDUSSCGKSA-N 1 2 247.298 1.377 10 0 BDAELO c1cnn(C[C@@H]2C[N@@H+](Cc3ccco3)CCO2)c1 ZINC000122151286 387487699 /nfs/dbraw/zinc/48/76/99/387487699.db2.gz QPZIQGALRRTCFX-ZDUSSCGKSA-N 1 2 247.298 1.377 10 0 BDAELO Cn1c2ccccc2[nH+]c1N1CC[C@H](CCO)C1 ZINC000127232046 387708201 /nfs/dbraw/zinc/70/82/01/387708201.db2.gz OAVCJATYZBHSGO-LLVKDONJSA-N 1 2 245.326 1.782 10 0 BDAELO C[N@@H+]1CCO[C@@H](CNC(=O)CC2CCCC2)C1 ZINC000194633626 387888383 /nfs/dbraw/zinc/88/83/83/387888383.db2.gz LDQDOXNZJXNBPG-LBPRGKRZSA-N 1 2 240.347 1.014 10 0 BDAELO C[N@H+]1CCO[C@@H](CNC(=O)CC2CCCC2)C1 ZINC000194633626 387888389 /nfs/dbraw/zinc/88/83/89/387888389.db2.gz LDQDOXNZJXNBPG-LBPRGKRZSA-N 1 2 240.347 1.014 10 0 BDAELO CCC[C@H]([NH2+][C@H](C)[C@H]1CCCO1)C(=O)OCC ZINC000245571067 387962474 /nfs/dbraw/zinc/96/24/74/387962474.db2.gz XIZZAHGFWBLPPV-GRYCIOLGSA-N 1 2 243.347 1.875 10 0 BDAELO CC(C)c1nc(NC[C@H](C)[S@](C)=O)cc[nH+]1 ZINC000160267112 388055045 /nfs/dbraw/zinc/05/50/45/388055045.db2.gz IOYGCWRLUSHIOR-XXFAHNHDSA-N 1 2 241.360 1.779 10 0 BDAELO CCn1c(C)nnc1C[N@H+](C)CCCOC ZINC000195113995 388097202 /nfs/dbraw/zinc/09/72/02/388097202.db2.gz VSPCHASVZQYXKR-UHFFFAOYSA-N 1 2 226.324 1.075 10 0 BDAELO CCn1c(C)nnc1C[N@@H+](C)CCCOC ZINC000195113995 388097205 /nfs/dbraw/zinc/09/72/05/388097205.db2.gz VSPCHASVZQYXKR-UHFFFAOYSA-N 1 2 226.324 1.075 10 0 BDAELO CO[C@@H](C)C[N@@H+]1CCC[C@@H]1c1noc(C)n1 ZINC000371694005 388361175 /nfs/dbraw/zinc/36/11/75/388361175.db2.gz AFOCGJBNZZBXFE-WCBMZHEXSA-N 1 2 225.292 1.550 10 0 BDAELO CO[C@@H](C)C[N@H+]1CCC[C@@H]1c1noc(C)n1 ZINC000371694005 388361176 /nfs/dbraw/zinc/36/11/76/388361176.db2.gz AFOCGJBNZZBXFE-WCBMZHEXSA-N 1 2 225.292 1.550 10 0 BDAELO CC1(C)C[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000232974560 388397725 /nfs/dbraw/zinc/39/77/25/388397725.db2.gz AKARSGCJLWTFGR-RXMQYKEDSA-N 1 2 212.684 1.923 10 0 BDAELO CC1(C)C[C@H]1Nc1[nH+]cnc(N)c1Cl ZINC000232974560 388397727 /nfs/dbraw/zinc/39/77/27/388397727.db2.gz AKARSGCJLWTFGR-RXMQYKEDSA-N 1 2 212.684 1.923 10 0 BDAELO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1nccn1C(F)F ZINC000295062613 388407848 /nfs/dbraw/zinc/40/78/48/388407848.db2.gz QKSQPFGYQQRISS-BDAKNGLRSA-N 1 2 245.273 1.623 10 0 BDAELO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1nccn1C(F)F ZINC000295062613 388407850 /nfs/dbraw/zinc/40/78/50/388407850.db2.gz QKSQPFGYQQRISS-BDAKNGLRSA-N 1 2 245.273 1.623 10 0 BDAELO [NH3+]N1CCC(C(=O)OCc2ccccc2)CC1 ZINC000095630484 388510126 /nfs/dbraw/zinc/51/01/26/388510126.db2.gz HYDGIVOHVKDSDR-UHFFFAOYSA-N 1 2 234.299 1.316 10 0 BDAELO CC(C)OC(=O)NCCCCn1cc[nH+]c1 ZINC000127218296 388719121 /nfs/dbraw/zinc/71/91/21/388719121.db2.gz IEVVCLZHOIOBML-UHFFFAOYSA-N 1 2 225.292 1.798 10 0 BDAELO C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)C(F)F ZINC000271249265 389019653 /nfs/dbraw/zinc/01/96/53/389019653.db2.gz KAEFXYVTBYWULC-MWLCHTKSSA-N 1 2 229.270 1.833 10 0 BDAELO C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)C(F)F ZINC000271249267 389019997 /nfs/dbraw/zinc/01/99/97/389019997.db2.gz KAEFXYVTBYWULC-ONGXEEELSA-N 1 2 229.270 1.833 10 0 BDAELO CN(C)C(=O)CN1CCCc2cc([NH3+])ccc21 ZINC000019875189 132328898 /nfs/dbraw/zinc/32/88/98/132328898.db2.gz LITSETORHBZOIW-UHFFFAOYSA-N 1 2 233.315 1.110 10 0 BDAELO C[C@H]1C[C@H](C)C[NH+](c2ccc(N)c(C(N)=O)c2)C1 ZINC000058479154 132368420 /nfs/dbraw/zinc/36/84/20/132368420.db2.gz JIEPULHOEIFNAC-UWVGGRQHSA-N 1 2 247.342 1.850 10 0 BDAELO Cc1cccc(C)c1N1CC[NH2+]CC1=O ZINC000071509067 132392589 /nfs/dbraw/zinc/39/25/89/132392589.db2.gz ZXFHUXDIUFEMPC-UHFFFAOYSA-N 1 2 204.273 1.240 10 0 BDAELO CC(C)[C@@H](C)CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000170781731 134253883 /nfs/dbraw/zinc/25/38/83/134253883.db2.gz OMDRNJAXMNGZFZ-NWDGAFQWSA-N 1 2 242.363 1.115 10 0 BDAELO CC(C)[C@@H](C)CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000170781731 134253884 /nfs/dbraw/zinc/25/38/84/134253884.db2.gz OMDRNJAXMNGZFZ-NWDGAFQWSA-N 1 2 242.363 1.115 10 0 BDAELO CC(C)OCC[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000182678409 134346673 /nfs/dbraw/zinc/34/66/73/134346673.db2.gz GKNIKKNODROSNY-NSHDSACASA-N 1 2 238.335 1.757 10 0 BDAELO CC(C)OCC[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000182678409 134346674 /nfs/dbraw/zinc/34/66/74/134346674.db2.gz GKNIKKNODROSNY-NSHDSACASA-N 1 2 238.335 1.757 10 0 BDAELO CC(C)c1nc([C@H]2CCC[N@H+]2C[C@H](C)O)no1 ZINC000248637354 135017509 /nfs/dbraw/zinc/01/75/09/135017509.db2.gz ADKGBMDQKNNQHZ-VHSXEESVSA-N 1 2 239.319 1.711 10 0 BDAELO CC(C)c1nc([C@H]2CCC[N@@H+]2C[C@H](C)O)no1 ZINC000248637354 135017511 /nfs/dbraw/zinc/01/75/11/135017511.db2.gz ADKGBMDQKNNQHZ-VHSXEESVSA-N 1 2 239.319 1.711 10 0 BDAELO Cc1nnsc1[C@@H]([NH3+])c1cncs1 ZINC000575519040 397976078 /nfs/dbraw/zinc/97/60/78/397976078.db2.gz YNOQOSNRDACXPO-LURJTMIESA-N 1 2 212.303 1.351 10 0 BDAELO C[C@@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)[C@H](C)C1 ZINC000662848633 409952284 /nfs/dbraw/zinc/95/22/84/409952284.db2.gz DGAKMMDTPYTIBU-OPRDCNLKSA-N 1 2 246.301 1.631 10 0 BDAELO C[NH+](C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000616644240 411411359 /nfs/dbraw/zinc/41/13/59/411411359.db2.gz LYNOEJWWRBRXRE-SECBINFHSA-N 1 2 230.308 1.141 10 0 BDAELO Cc1c[nH]c(CN[C@@H](C)c2ncc(C)o2)[nH+]1 ZINC000657459134 411517442 /nfs/dbraw/zinc/51/74/42/411517442.db2.gz UQCDNPYXVPKTFR-VIFPVBQESA-N 1 2 220.276 1.865 10 0 BDAELO CC[N@@H+]1C[C@@H](C)[C@@H](NCc2snnc2C)C1 ZINC000309678421 170030676 /nfs/dbraw/zinc/03/06/76/170030676.db2.gz YSJNCSVZDDLPOO-SCZZXKLOSA-N 1 2 240.376 1.276 10 0 BDAELO CC[N@H+]1C[C@@H](C)[C@@H](NCc2snnc2C)C1 ZINC000309678421 170030677 /nfs/dbraw/zinc/03/06/77/170030677.db2.gz YSJNCSVZDDLPOO-SCZZXKLOSA-N 1 2 240.376 1.276 10 0 BDAELO CC[NH2+][C@@H](C(N)=O)c1c(F)cccc1F ZINC000037869598 170138168 /nfs/dbraw/zinc/13/81/68/170138168.db2.gz JMIGKJBZVDRVDB-SECBINFHSA-N 1 2 214.215 1.101 10 0 BDAELO CC[NH2+][C@](C)(C[N@H+](C)CC1CCCC1)C(=O)[O-] ZINC000104358274 170170688 /nfs/dbraw/zinc/17/06/88/170170688.db2.gz MPGGLHVVEUBVHD-CYBMUJFWSA-N 1 2 242.363 1.561 10 0 BDAELO CC[NH2+][C@](C)(C[N@@H+](C)CC1CCCC1)C(=O)[O-] ZINC000104358274 170170689 /nfs/dbraw/zinc/17/06/89/170170689.db2.gz MPGGLHVVEUBVHD-CYBMUJFWSA-N 1 2 242.363 1.561 10 0 BDAELO CCOC(=O)C[N@H+](CC)Cc1ccccc1N ZINC000035364559 170216481 /nfs/dbraw/zinc/21/64/81/170216481.db2.gz FVRFUMVHABGBRN-UHFFFAOYSA-N 1 2 236.315 1.654 10 0 BDAELO CCOC(=O)C[N@@H+](CC)Cc1ccccc1N ZINC000035364559 170216482 /nfs/dbraw/zinc/21/64/82/170216482.db2.gz FVRFUMVHABGBRN-UHFFFAOYSA-N 1 2 236.315 1.654 10 0 BDAELO CCOC(=O)[C@@H]([NH3+])c1cc(C)sc1C ZINC000049687678 170253623 /nfs/dbraw/zinc/25/36/23/170253623.db2.gz JGGPHKUUVJIEPC-VIFPVBQESA-N 1 2 213.302 1.928 10 0 BDAELO CCOC(=O)[C@@]1([NH2+]C)CCc2ccccc2C1 ZINC000037515817 170263384 /nfs/dbraw/zinc/26/33/84/170263384.db2.gz CRKUHWCOJHFABC-CQSZACIVSA-N 1 2 233.311 1.697 10 0 BDAELO CCOC(=O)[C@H]([NH3+])Cc1ccc(Cl)o1 ZINC000044343453 170275382 /nfs/dbraw/zinc/27/53/82/170275382.db2.gz UBRBVVOIUFZOGZ-SSDOTTSWSA-N 1 2 217.652 1.366 10 0 BDAELO CCOC(=O)[C@]1([NH2+]CCOC)CCC[C@H](C)C1 ZINC000053257296 170286934 /nfs/dbraw/zinc/28/69/34/170286934.db2.gz YRNAYRUFICNDAQ-AAEUAGOBSA-N 1 2 243.347 1.734 10 0 BDAELO CCOCCCNc1cc(C(N)=S)cc[nH+]1 ZINC000019486492 170382936 /nfs/dbraw/zinc/38/29/36/170382936.db2.gz CKOFJMRAUDXLAU-UHFFFAOYSA-N 1 2 239.344 1.554 10 0 BDAELO Cc1nnc(C[N@H+]2C[C@H](O)CC[C@@H]2C)s1 ZINC000660833190 411651758 /nfs/dbraw/zinc/65/17/58/411651758.db2.gz QFHNLICBJFNLOB-IONNQARKSA-N 1 2 227.333 1.192 10 0 BDAELO Cc1nnc(C[N@@H+]2C[C@H](O)CC[C@@H]2C)s1 ZINC000660833190 411651764 /nfs/dbraw/zinc/65/17/64/411651764.db2.gz QFHNLICBJFNLOB-IONNQARKSA-N 1 2 227.333 1.192 10 0 BDAELO CC(=O)N1CCC[C@H](c2cc[nH+]c(N)c2)CC1 ZINC000616627697 411856097 /nfs/dbraw/zinc/85/60/97/411856097.db2.gz JPJUVNYMQVDCOF-NSHDSACASA-N 1 2 233.315 1.780 10 0 BDAELO CC(C)N1CCO[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616646558 411872110 /nfs/dbraw/zinc/87/21/10/411872110.db2.gz JBCHAKCEMBPWJU-NSHDSACASA-N 1 2 221.304 1.446 10 0 BDAELO CC[C@H](C)C[N@@H+]1CCO[C@H](c2noc(C)n2)C1 ZINC000363626082 171281908 /nfs/dbraw/zinc/28/19/08/171281908.db2.gz HDRLYPJEYIIFSS-ONGXEEELSA-N 1 2 239.319 1.797 10 0 BDAELO CC[C@H](C)C[N@H+]1CCO[C@H](c2noc(C)n2)C1 ZINC000363626082 171281909 /nfs/dbraw/zinc/28/19/09/171281909.db2.gz HDRLYPJEYIIFSS-ONGXEEELSA-N 1 2 239.319 1.797 10 0 BDAELO CC[C@H](C)N(CCOC)c1cc(CO)cc[nH+]1 ZINC000042589835 171315685 /nfs/dbraw/zinc/31/56/85/171315685.db2.gz QHLROCLITALLMI-NSHDSACASA-N 1 2 238.331 1.825 10 0 BDAELO CC(C)[C@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000662914513 412344052 /nfs/dbraw/zinc/34/40/52/412344052.db2.gz BDYOAEVIQRNERI-ZJUUUORDSA-N 1 2 246.301 1.534 10 0 BDAELO 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1 2 236.250 1.065 10 0 BDAELO CNC(=O)[C@H](C)Nc1ccc([NH+]2CCCC2)cc1 ZINC000058551667 173304154 /nfs/dbraw/zinc/30/41/54/173304154.db2.gz IDLKSPDHJKKIJV-NSHDSACASA-N 1 2 247.342 1.833 10 0 BDAELO CNC1=[NH+][C@]2(CCCCO2)CCS1 ZINC000169316182 173322303 /nfs/dbraw/zinc/32/23/03/173322303.db2.gz IMHIJADHLVCZRL-VIFPVBQESA-N 1 2 200.307 1.596 10 0 BDAELO CNC1=[NH+][C@@]2(CCCCO2)CCS1 ZINC000169316181 173322368 /nfs/dbraw/zinc/32/23/68/173322368.db2.gz IMHIJADHLVCZRL-SECBINFHSA-N 1 2 200.307 1.596 10 0 BDAELO C[NH2+]CC(=O)OCCc1cccc(Cl)c1 ZINC000077341885 173335211 /nfs/dbraw/zinc/33/52/11/173335211.db2.gz VXPWPOXWPZSHTN-UHFFFAOYSA-N 1 2 227.691 1.645 10 0 BDAELO C[NH2+]CC(=O)O[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000040951455 173335614 /nfs/dbraw/zinc/33/56/14/173335614.db2.gz JQVSWHCJRZRSOB-VHSXEESVSA-N 1 2 213.321 1.964 10 0 BDAELO C[NH2+]Cc1noc(CCc2ccccc2C)n1 ZINC000051986477 173399608 /nfs/dbraw/zinc/39/96/08/173399608.db2.gz ASUIPGRAFOJVLS-UHFFFAOYSA-N 1 2 231.299 1.883 10 0 BDAELO 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C[C@H]1COCC[N@@H+]1C[C@@H]1CNc2ccccc2O1 ZINC000035776854 177292423 /nfs/dbraw/zinc/29/24/23/177292423.db2.gz MTIGHHMKYVKODO-RYUDHWBXSA-N 1 2 248.326 1.580 10 0 BDAELO C[C@H]1COCC[N@H+]1C[C@@H]1CNc2ccccc2O1 ZINC000035776854 177292424 /nfs/dbraw/zinc/29/24/24/177292424.db2.gz MTIGHHMKYVKODO-RYUDHWBXSA-N 1 2 248.326 1.580 10 0 BDAELO C[C@H]1COC[C@H](C)[NH+]1Cc1cccc(C(N)=O)c1 ZINC000077370137 177300530 /nfs/dbraw/zinc/30/05/30/177300530.db2.gz PRVBJNJUAUCDDX-QWRGUYRKSA-N 1 2 248.326 1.395 10 0 BDAELO Cc1c(N)[nH+]ccc1I ZINC000200261331 177610011 /nfs/dbraw/zinc/61/00/11/177610011.db2.gz JLFQOFYCRYVKQT-UHFFFAOYSA-N 1 2 234.040 1.577 10 0 BDAELO CC[C@](C)(O)C[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000682028336 487882870 /nfs/dbraw/zinc/88/28/70/487882870.db2.gz FXZMMCONBAZFCJ-BDAKNGLRSA-N 1 2 241.253 1.411 10 0 BDAELO CC[C@](C)(O)C[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000682028336 487882875 /nfs/dbraw/zinc/88/28/75/487882875.db2.gz FXZMMCONBAZFCJ-BDAKNGLRSA-N 1 2 241.253 1.411 10 0 BDAELO 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C[N@@H+](CC(F)F)C[C@@H]1CCC[C@@H](O)C1 ZINC000379658906 488146642 /nfs/dbraw/zinc/14/66/42/488146642.db2.gz OAGLIFOVQFLKLT-RKDXNWHRSA-N 1 2 207.264 1.734 10 0 BDAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCC(C)C)C2 ZINC000220580863 490616895 /nfs/dbraw/zinc/61/68/95/490616895.db2.gz LZEGKHMZXQSERV-NSHDSACASA-N 1 2 249.358 1.985 10 0 BDAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCC(C)C)CC2 ZINC000220580863 490616899 /nfs/dbraw/zinc/61/68/99/490616899.db2.gz LZEGKHMZXQSERV-NSHDSACASA-N 1 2 249.358 1.985 10 0 BDAELO FC1(F)C[NH2+][C@@]2(CCCOCC2)OC1 ZINC000757140502 582520773 /nfs/dbraw/zinc/52/07/73/582520773.db2.gz BGCCAQKBLPMWBT-VIFPVBQESA-N 1 2 207.220 1.138 10 0 BDAELO Cc1cn(Cc2ccc[nH+]c2C)nc1N ZINC000380130370 582685876 /nfs/dbraw/zinc/68/58/76/582685876.db2.gz WOGCTTOOTYVNDF-UHFFFAOYSA-N 1 2 202.261 1.356 10 0 BDAELO COC(=O)[C@@](C)(c1ccc(F)cc1)[NH+](C)C ZINC000095532523 523821818 /nfs/dbraw/zinc/82/18/18/523821818.db2.gz YAOUJGFLPPMLBZ-GFCCVEGCSA-N 1 2 225.263 1.776 10 0 BDAELO COC(=O)[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000095532745 523937963 /nfs/dbraw/zinc/93/79/63/523937963.db2.gz POVJYSVJMHZKOF-NSHDSACASA-N 1 2 207.273 1.771 10 0 BDAELO CC(C)(C)OC(=O)[C@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000725240358 537972512 /nfs/dbraw/zinc/97/25/12/537972512.db2.gz WLDJFTJAOMVWOD-GFCCVEGCSA-N 1 2 249.310 1.963 10 0 BDAELO C[C@H]1CC[C@H](C)[N@H+](CC(F)(F)CN)C1 ZINC000307313812 566278195 /nfs/dbraw/zinc/27/81/95/566278195.db2.gz UNTHDXOZIILFOX-IUCAKERBSA-N 1 2 206.280 1.701 10 0 BDAELO C[C@H]1CC[C@H](C)[N@@H+](CC(F)(F)CN)C1 ZINC000307313812 566278206 /nfs/dbraw/zinc/27/82/06/566278206.db2.gz UNTHDXOZIILFOX-IUCAKERBSA-N 1 2 206.280 1.701 10 0 BDAELO C[C@@H]1CC[C@H](C)C[N@H+]1CC(F)(F)CN ZINC000307313810 566278537 /nfs/dbraw/zinc/27/85/37/566278537.db2.gz UNTHDXOZIILFOX-DTWKUNHWSA-N 1 2 206.280 1.701 10 0 BDAELO C[C@@H]1CC[C@H](C)C[N@@H+]1CC(F)(F)CN ZINC000307313810 566278539 /nfs/dbraw/zinc/27/85/39/566278539.db2.gz UNTHDXOZIILFOX-DTWKUNHWSA-N 1 2 206.280 1.701 10 0 BDAELO Cn1cc([C@H]2[NH2+]CCc3sccc32)nn1 ZINC000397156847 583097487 /nfs/dbraw/zinc/09/74/87/583097487.db2.gz OWOFWIXIXWHAKR-JTQLQIEISA-N 1 2 220.301 1.112 10 0 BDAELO Fc1ccccc1[C@@H]1CCO[C@]2(CCOC2)[NH2+]1 ZINC000757141498 582521957 /nfs/dbraw/zinc/52/19/57/582521957.db2.gz AEYPGWGEWJMYFB-STQMWFEESA-N 1 2 237.274 1.993 10 0 BDAELO OCCCc1nc2[nH]ccc2c(NC2CC2)[nH+]1 ZINC000757565002 586461174 /nfs/dbraw/zinc/46/11/74/586461174.db2.gz HSLFDQFCQVDVKP-UHFFFAOYSA-N 1 2 232.287 1.457 10 0 BDAELO C[C@H](O)c1ccc(N2CC[C@H](CCO)C2)[nH+]c1 ZINC000123677810 589765889 /nfs/dbraw/zinc/76/58/89/589765889.db2.gz WUXQLJWOWNMVOS-WDEREUQCSA-N 1 2 236.315 1.344 10 0 BDAELO Cc1cnn([C@H]2[C@H](O)C[C@@H]2Nc2cccc[nH+]2)c1 ZINC000886079096 592144548 /nfs/dbraw/zinc/14/45/48/592144548.db2.gz IDRLCHKVQIOACY-DMDPSCGWSA-N 1 2 244.298 1.373 10 0 BDAELO COCC[NH2+]Cc1nc([C@@H]2CC2(C)C)no1 ZINC000225472539 635408155 /nfs/dbraw/zinc/40/81/55/635408155.db2.gz IOGXIWRSCKSOKS-QMMMGPOBSA-N 1 2 225.292 1.319 10 0 BDAELO CC[C@H](C)c1noc(C[NH2+]CCOC)n1 ZINC000082583320 643515016 /nfs/dbraw/zinc/51/50/16/643515016.db2.gz WLWIGWUVWDVACX-QMMMGPOBSA-N 1 2 213.281 1.319 10 0 BDAELO CCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000082647209 643518755 /nfs/dbraw/zinc/51/87/55/643518755.db2.gz RQNXEQZSENWHRO-ONGXEEELSA-N 1 2 227.304 1.239 10 0 BDAELO CCOC(=O)[C@H](C)[N@H+]1CCC[C@H](C(C)=O)C1 ZINC000082647209 643518759 /nfs/dbraw/zinc/51/87/59/643518759.db2.gz RQNXEQZSENWHRO-ONGXEEELSA-N 1 2 227.304 1.239 10 0 BDAELO C[NH2+][C@@]1(C(=O)[O-])CCC[C@@H](n2cc[nH+]c2)C1 ZINC000086604632 644155127 /nfs/dbraw/zinc/15/51/27/644155127.db2.gz ZZNAEDTVMJWHCX-KOLCDFICSA-N 1 2 223.276 1.041 10 0 BDAELO C[C@H]1C[C@H](O)C[N@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000706176248 712141696 /nfs/dbraw/zinc/14/16/96/712141696.db2.gz WVUWHBJBKWJKKS-WPRPVWTQSA-N 1 2 243.738 1.276 10 0 BDAELO C[C@H]1C[C@H](O)C[N@@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000706176248 712141697 /nfs/dbraw/zinc/14/16/97/712141697.db2.gz WVUWHBJBKWJKKS-WPRPVWTQSA-N 1 2 243.738 1.276 10 0 BDAELO CC(C)(O)C[N@@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000712796488 712449393 /nfs/dbraw/zinc/44/93/93/712449393.db2.gz NNCDOHKPIZDBOQ-VIFPVBQESA-N 1 2 241.253 1.411 10 0 BDAELO CC(C)(O)C[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000712796488 712449394 /nfs/dbraw/zinc/44/93/94/712449394.db2.gz NNCDOHKPIZDBOQ-VIFPVBQESA-N 1 2 241.253 1.411 10 0 BDAELO C[C@H]([NH2+][C@@H](C)c1cccc(O)c1)c1cn(C)nn1 ZINC000715935011 712544299 /nfs/dbraw/zinc/54/42/99/712544299.db2.gz LOLJLHBRMCBPCL-UWVGGRQHSA-N 1 2 246.314 1.933 10 0 BDAELO CCCC[C@H]([NH3+])c1n[nH]nc1C(=O)OCC ZINC000685953499 538897915 /nfs/dbraw/zinc/89/79/15/538897915.db2.gz KUMVKSKWDDEQHI-ZETCQYMHSA-N 1 2 226.280 1.171 10 0 BDAELO [NH3+]c1ccc2c(c1)C[C@@H](O)[C@@H](C1CC1)N2 ZINC000685963680 538910465 /nfs/dbraw/zinc/91/04/65/538910465.db2.gz VMHLORZEQZTTJI-VXGBXAGGSA-N 1 2 204.273 1.376 10 0 BDAELO CCOC(=O)C(F)(F)C[NH2+]C1(C)CC1 ZINC000685957019 538903323 /nfs/dbraw/zinc/90/33/23/538903323.db2.gz KGAMXDTYFAKJIE-UHFFFAOYSA-N 1 2 207.220 1.327 10 0 BDAELO CNc1cc(S[C@@H](C)[C@@H](C)O)cc[nH+]1 ZINC000234524894 343975794 /nfs/dbraw/zinc/97/57/94/343975794.db2.gz XHRWGKCWMFMJHL-SFYZADRCSA-N 1 2 212.318 1.985 10 0 BDAELO CNCC(F)(F)C[N@H+](C)[C@H](C)C(C)C ZINC000685957608 538905043 /nfs/dbraw/zinc/90/50/43/538905043.db2.gz CTYNLJOKCJMKEY-SECBINFHSA-N 1 2 208.296 1.817 10 0 BDAELO CNCC(F)(F)C[N@@H+](C)[C@H](C)C(C)C ZINC000685957608 538905044 /nfs/dbraw/zinc/90/50/44/538905044.db2.gz CTYNLJOKCJMKEY-SECBINFHSA-N 1 2 208.296 1.817 10 0 BDAELO CC[N@H+](C[C@H]1C[C@H]1C)CC(F)(F)CN ZINC000685957518 538905140 /nfs/dbraw/zinc/90/51/40/538905140.db2.gz ZWPKZZAQMFGUDC-RKDXNWHRSA-N 1 2 206.280 1.558 10 0 BDAELO CC[N@@H+](C[C@H]1C[C@H]1C)CC(F)(F)CN ZINC000685957518 538905141 /nfs/dbraw/zinc/90/51/41/538905141.db2.gz ZWPKZZAQMFGUDC-RKDXNWHRSA-N 1 2 206.280 1.558 10 0 BDAELO CC[C@@H](C)C[N@H+](C)CC(F)(F)CNC ZINC000685957866 538905516 /nfs/dbraw/zinc/90/55/16/538905516.db2.gz JNBROPXXIYEWIZ-SECBINFHSA-N 1 2 208.296 1.819 10 0 BDAELO CC[C@@H](C)C[N@@H+](C)CC(F)(F)CNC ZINC000685957866 538905517 /nfs/dbraw/zinc/90/55/17/538905517.db2.gz JNBROPXXIYEWIZ-SECBINFHSA-N 1 2 208.296 1.819 10 0 BDAELO CC(C)[C@@H]1Nc2ccc([NH3+])cc2C[C@H]1O ZINC000685963173 538910151 /nfs/dbraw/zinc/91/01/51/538910151.db2.gz IIMAPZMOSMRTSF-NEPJUHHUSA-N 1 2 206.289 1.622 10 0 BDAELO [NH3+]c1ccc2c(c1)C[C@H](O)[C@H](C1CCC1)N2 ZINC000685963854 538910699 /nfs/dbraw/zinc/91/06/99/538910699.db2.gz YNMKLAJGNGWOJD-STQMWFEESA-N 1 2 218.300 1.766 10 0 BDAELO Nc1cn(Cc2ccc(F)c(F)c2)c[nH+]1 ZINC000685964257 538911237 /nfs/dbraw/zinc/91/12/37/538911237.db2.gz YRENADXBHRIVDI-UHFFFAOYSA-N 1 2 209.199 1.792 10 0 BDAELO Cc1c(C[NH2+]CC(C)(F)F)cnn1C ZINC000378716754 346814280 /nfs/dbraw/zinc/81/42/80/346814280.db2.gz NHCGDXAVQBRPIL-UHFFFAOYSA-N 1 2 203.236 1.473 10 0 BDAELO Cc1cc(C[NH2+]Cc2nnc[nH]2)ccc1F ZINC000050545594 178028816 /nfs/dbraw/zinc/02/88/16/178028816.db2.gz WQCFQLJPURZNDV-UHFFFAOYSA-N 1 2 220.251 1.542 10 0 BDAELO Cc1cc(N)cnc1Sc1nc(N)cc(N)[nH+]1 ZINC000052813831 178108518 /nfs/dbraw/zinc/10/85/18/178108518.db2.gz FJVHCBGZRHATDZ-UHFFFAOYSA-N 1 2 248.315 1.078 10 0 BDAELO Cc1nc(C[NH2+][C@H]2CCC[C@]2(C)CO)no1 ZINC000309619434 136219282 /nfs/dbraw/zinc/21/92/82/136219282.db2.gz CUKWQCYJWUCKLR-GXSJLCMTSA-N 1 2 225.292 1.019 10 0 BDAELO Cc1ccc(-c2nc(C[NH+](C)C)no2)cc1O ZINC000091747862 178334793 /nfs/dbraw/zinc/33/47/93/178334793.db2.gz LKTDLWPUJOZOMG-UHFFFAOYSA-N 1 2 233.271 1.812 10 0 BDAELO Cc1ccc(-c2[nH+]cn(N)c2N)c(C)c1 ZINC000052838205 178339272 /nfs/dbraw/zinc/33/92/72/178339272.db2.gz JZIJXRBETDRGLG-UHFFFAOYSA-N 1 2 202.261 1.463 10 0 BDAELO c1cn(Cc2ccccc2)c(Cc2nn[nH]n2)[nH+]1 ZINC000059955493 342877814 /nfs/dbraw/zinc/87/78/14/342877814.db2.gz VOGBTXMCCXLDKL-UHFFFAOYSA-N 1 2 240.270 1.035 10 0 BDAELO CSC(C)(C)CN1C(=O)[C@H](C)[NH2+][C@@H]1C ZINC000229154676 398342141 /nfs/dbraw/zinc/34/21/41/398342141.db2.gz MPWBDDBJANWJSX-YUMQZZPRSA-N 1 2 216.350 1.294 10 0 BDAELO CC(C)(C)c1cc(=O)n(-c2cc(N)cc[nH+]2)[nH]1 ZINC000584880322 343080675 /nfs/dbraw/zinc/08/06/75/343080675.db2.gz PTRIDOBBALIUNB-UHFFFAOYSA-N 1 2 232.287 1.803 10 0 BDAELO Cc1[nH]n(-c2cc(N)cc[nH+]2)c(=O)c1C1CC1 ZINC000584882532 343085121 /nfs/dbraw/zinc/08/51/21/343085121.db2.gz NFFYMDWWAOLVIC-NSHDSACASA-N 1 2 230.271 1.413 10 0 BDAELO CC(C)c1noc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)n1 ZINC000299906874 349795888 /nfs/dbraw/zinc/79/58/88/349795888.db2.gz QDYLPHFYVKBWFS-NXEZZACHSA-N 1 2 239.319 1.396 10 0 BDAELO CC(C)c1noc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)n1 ZINC000299906874 349795889 /nfs/dbraw/zinc/79/58/89/349795889.db2.gz QDYLPHFYVKBWFS-NXEZZACHSA-N 1 2 239.319 1.396 10 0 BDAELO O[C@H](CC1CCCC1)CN1CCn2cc[nH+]c2C1 ZINC000232144430 136372353 /nfs/dbraw/zinc/37/23/53/136372353.db2.gz YMNVFQQPXGCMKX-CYBMUJFWSA-N 1 2 249.358 1.640 10 0 BDAELO COc1c(C[NH2+][C@H](C)c2ncc[nH]2)c(C)nn1C ZINC000138966447 136373156 /nfs/dbraw/zinc/37/31/56/136373156.db2.gz HNGBYQVWOMTFHA-SECBINFHSA-N 1 2 249.318 1.311 10 0 BDAELO COc1c(CN[C@H](C)c2[nH]cc[nH+]2)c(C)nn1C ZINC000138966447 136373157 /nfs/dbraw/zinc/37/31/57/136373157.db2.gz HNGBYQVWOMTFHA-SECBINFHSA-N 1 2 249.318 1.311 10 0 BDAELO CC(=O)N1CCC[C@@H](c2ccc[nH+]c2N)CC1 ZINC000616629162 343528025 /nfs/dbraw/zinc/52/80/25/343528025.db2.gz SPDGCNLWHUXNCP-LLVKDONJSA-N 1 2 233.315 1.780 10 0 BDAELO [NH2+]=C1Nc2ccccc2[C@]1(O)c1ccccc1 ZINC000197106922 343641937 /nfs/dbraw/zinc/64/19/37/343641937.db2.gz DYRLRFXNPWUDTO-CQSZACIVSA-N 1 2 224.263 1.925 10 0 BDAELO [NH3+][C@@H](c1noc(C2CC2)n1)c1cccnc1 ZINC000036764445 343779566 /nfs/dbraw/zinc/77/95/66/343779566.db2.gz HGVDADNNKOZTCU-SECBINFHSA-N 1 2 216.244 1.390 10 0 BDAELO O=C([O-])c1[nH+]c([C@H]2CC[NH2+]C2)n2ccccc12 ZINC000222429690 343793032 /nfs/dbraw/zinc/79/30/32/343793032.db2.gz TYBRLCDOWLXACF-QMMMGPOBSA-N 1 2 231.255 1.109 10 0 BDAELO CCc1nc([C@@H]([NH2+]C)c2ccncc2)no1 ZINC000409440377 343851834 /nfs/dbraw/zinc/85/18/34/343851834.db2.gz KOWHUXGKHUNQQD-JTQLQIEISA-N 1 2 218.260 1.336 10 0 BDAELO C[C@@H]1N(O)C(C)(C)C(c2ccccc2)=[N+]1O ZINC000145671615 344376009 /nfs/dbraw/zinc/37/60/09/344376009.db2.gz QAMNYWJFIZNCJF-VIFPVBQESA-N 1 2 221.280 1.707 10 0 BDAELO CNC(=O)c1ccc(OCCn2cc[nH+]c2)cc1 ZINC000029218994 344504780 /nfs/dbraw/zinc/50/47/80/344504780.db2.gz WGGQBMMRSYCRTL-UHFFFAOYSA-N 1 2 245.282 1.322 10 0 BDAELO OCC[C@@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000641397691 362392511 /nfs/dbraw/zinc/39/25/11/362392511.db2.gz YZGORSUHLOCBRE-VIFPVBQESA-N 1 2 210.252 1.429 10 0 BDAELO Nc1ncc(Cl)cc1C1(F)C[NH2+]C1 ZINC000158136189 344550354 /nfs/dbraw/zinc/55/03/54/344550354.db2.gz WXKUHNKVQOUVID-UHFFFAOYSA-N 1 2 201.632 1.085 10 0 BDAELO C[NH+](C)Cc1nc2c(s1)[C@@H](O)CCC2 ZINC000050330883 344674304 /nfs/dbraw/zinc/67/43/04/344674304.db2.gz LSWHZRHVVGRMHQ-QMMMGPOBSA-N 1 2 212.318 1.574 10 0 BDAELO CC(=O)N1CCC(c2cc[nH+]c(N)c2)CC1 ZINC000220883922 344621877 /nfs/dbraw/zinc/62/18/77/344621877.db2.gz VUJDGEGFSHCXMP-UHFFFAOYSA-N 1 2 219.288 1.390 10 0 BDAELO CSC1CCC([N@@H+]2CCC(=O)C2)CC1 ZINC000235245948 344856581 /nfs/dbraw/zinc/85/65/81/344856581.db2.gz SVTJQCDHVRKJPE-UHFFFAOYSA-N 1 2 213.346 1.935 10 0 BDAELO CSC1CCC([N@H+]2CCC(=O)C2)CC1 ZINC000235245948 344856584 /nfs/dbraw/zinc/85/65/84/344856584.db2.gz SVTJQCDHVRKJPE-UHFFFAOYSA-N 1 2 213.346 1.935 10 0 BDAELO CCOC(=O)[C@H](C)c1c[nH+]c(N)c(OC)c1 ZINC000146063887 345045697 /nfs/dbraw/zinc/04/56/97/345045697.db2.gz DWKDEXXOWRUSAV-SSDOTTSWSA-N 1 2 224.260 1.339 10 0 BDAELO COc1cc(N)c(OC(F)(F)F)c[nH+]1 ZINC000238375245 345033427 /nfs/dbraw/zinc/03/34/27/345033427.db2.gz JMBIYOQTUAVMAE-UHFFFAOYSA-N 1 2 208.139 1.571 10 0 BDAELO COC[C@H](C)[N@@H+]1CCO[C@H](c2ccc(C)o2)C1 ZINC000158631237 345358075 /nfs/dbraw/zinc/35/80/75/345358075.db2.gz VVRKYLHQSAGZLL-GWCFXTLKSA-N 1 2 239.315 1.996 10 0 BDAELO COC[C@H](C)[N@H+]1CCO[C@H](c2ccc(C)o2)C1 ZINC000158631237 345358077 /nfs/dbraw/zinc/35/80/77/345358077.db2.gz VVRKYLHQSAGZLL-GWCFXTLKSA-N 1 2 239.315 1.996 10 0 BDAELO Cn1ncc(Br)c1[C@@H]([NH3+])C(F)F ZINC000236084658 346190837 /nfs/dbraw/zinc/19/08/37/346190837.db2.gz TULULVQDMYTNFA-SCSAIBSYSA-N 1 2 240.051 1.448 10 0 BDAELO Cc1cccc(C(=O)C[N@@H+]2CCCOCC2)c1 ZINC000061919990 179003998 /nfs/dbraw/zinc/00/39/98/179003998.db2.gz IWSLYBVTUVGDOD-UHFFFAOYSA-N 1 2 233.311 1.900 10 0 BDAELO Cc1cccc(C(=O)C[N@H+]2CCCOCC2)c1 ZINC000061919990 179004000 /nfs/dbraw/zinc/00/40/00/179004000.db2.gz IWSLYBVTUVGDOD-UHFFFAOYSA-N 1 2 233.311 1.900 10 0 BDAELO NC(=[NH2+])c1ccc(Br)cc1O ZINC000034584475 347090062 /nfs/dbraw/zinc/09/00/62/347090062.db2.gz IQVIYLNKRHFMHH-UHFFFAOYSA-N 1 2 215.050 1.439 10 0 BDAELO Cc1cccc(C[NH2+]Cc2nnc[nH]2)c1C ZINC000043314240 179096593 /nfs/dbraw/zinc/09/65/93/179096593.db2.gz KGJOZZSQIUDAEA-UHFFFAOYSA-N 1 2 216.288 1.711 10 0 BDAELO NC(=[NH2+])c1ncc(Br)cc1F ZINC000585681372 346654301 /nfs/dbraw/zinc/65/43/01/346654301.db2.gz ZCODVKKSBCPXQC-UHFFFAOYSA-N 1 2 218.029 1.267 10 0 BDAELO Cc1[nH+]c(-c2ccccc2C)c(N)n1N ZINC000052838492 179237917 /nfs/dbraw/zinc/23/79/17/179237917.db2.gz 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/nfs/dbraw/zinc/38/76/92/132387692.db2.gz CVXCPZJKVIPROG-UHFFFAOYSA-N 1 2 232.262 1.625 10 0 BDAELO OCCC[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000062996322 132388733 /nfs/dbraw/zinc/38/87/33/132388733.db2.gz ICVZEPHSMMQSBW-UHFFFAOYSA-N 1 2 236.315 1.318 10 0 BDAELO CC(C)[C@@H](C)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000174759098 134283059 /nfs/dbraw/zinc/28/30/59/134283059.db2.gz SCWKCSIUBHKYLR-JTQLQIEISA-N 1 2 223.320 1.751 10 0 BDAELO Cc1cnc([C@H](C)[NH2+]CC(=O)N2CCCC2)o1 ZINC000220900896 134315084 /nfs/dbraw/zinc/31/50/84/134315084.db2.gz GYERYGLEDAUOOV-JTQLQIEISA-N 1 2 237.303 1.256 10 0 BDAELO C[C@@H]1COC[C@@H](C)[NH+]1CC(=O)N1CCCCC1 ZINC000077365838 135063036 /nfs/dbraw/zinc/06/30/36/135063036.db2.gz HKJVNOYDTULVFW-VXGBXAGGSA-N 1 2 240.347 1.108 10 0 BDAELO O=C(N[C@H]1CC=CCC1)[C@H]1CCCn2cc[nH+]c21 ZINC000081784671 135389681 /nfs/dbraw/zinc/38/96/81/135389681.db2.gz ZSKDZKXCFSSCET-RYUDHWBXSA-N 1 2 245.326 1.985 10 0 BDAELO CCn1cc[nH+]c1CSC[C@@H](C)C(=O)OC ZINC000078820120 135396051 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10 0 BDAELO CCNc1[nH+]cnc2c1cnn2-c1ccccn1 ZINC000041529093 170177969 /nfs/dbraw/zinc/17/79/69/170177969.db2.gz MNXAEILZJPCCFH-UHFFFAOYSA-N 1 2 240.270 1.642 10 0 BDAELO CCOC(=O)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116404590 170220525 /nfs/dbraw/zinc/22/05/25/170220525.db2.gz KETXDMFEHWMRHI-JTQLQIEISA-N 1 2 223.272 1.980 10 0 BDAELO CCOC(=O)C[N@H+]1CCC[C@H]1c1ccco1 ZINC000116404590 170220526 /nfs/dbraw/zinc/22/05/26/170220526.db2.gz KETXDMFEHWMRHI-JTQLQIEISA-N 1 2 223.272 1.980 10 0 BDAELO CCOC(=O)C[NH2+]CCc1ccc(OC)cc1 ZINC000020044732 170225275 /nfs/dbraw/zinc/22/52/75/170225275.db2.gz VAQOWYGNWHDRHQ-UHFFFAOYSA-N 1 2 237.299 1.390 10 0 BDAELO CCOC(=O)[C@@H](CCOC1CCCCC1)[NH2+]C ZINC000062545905 170251988 /nfs/dbraw/zinc/25/19/88/170251988.db2.gz RZOSLTLEOYWSQY-GFCCVEGCSA-N 1 2 243.347 1.877 10 0 BDAELO CCOC(=O)[C@@H]([NH3+])COC1CCCCC1 ZINC000045505351 170254253 /nfs/dbraw/zinc/25/42/53/170254253.db2.gz JAWTYZDKMSPLHF-JTQLQIEISA-N 1 2 215.293 1.226 10 0 BDAELO CCOC(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000037459954 170254551 /nfs/dbraw/zinc/25/45/51/170254551.db2.gz PTCMFTWQYMITEE-VIFPVBQESA-N 1 2 215.199 1.528 10 0 BDAELO CCOC(=O)[C@@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000035242663 170254794 /nfs/dbraw/zinc/25/47/94/170254794.db2.gz VCARWZYZRXALKY-NSHDSACASA-N 1 2 239.271 1.267 10 0 BDAELO CCOC(=O)[C@H](CCO[C@@H](C)CC)[NH2+]C1CC1 ZINC000062595363 170273027 /nfs/dbraw/zinc/27/30/27/170273027.db2.gz QZSXAOVTTIICOK-JQWIXIFHSA-N 1 2 243.347 1.875 10 0 BDAELO CCOC(=O)[C@H]([NH3+])COc1ccc(C)cc1 ZINC000045476703 170275813 /nfs/dbraw/zinc/27/58/13/170275813.db2.gz SYVVMERLRFOUJG-LLVKDONJSA-N 1 2 223.272 1.264 10 0 BDAELO CCOC(=O)[C@H]([NH3+])c1ccc(OC)c(Cl)c1 ZINC000035145766 170276126 /nfs/dbraw/zinc/27/61/26/170276126.db2.gz POYAPQOXBUGYPU-SNVBAGLBSA-N 1 2 243.690 1.912 10 0 BDAELO CCOC(=O)[C@H]([NH3+])c1ccc(F)c(F)c1 ZINC000037459944 170276446 /nfs/dbraw/zinc/27/64/46/170276446.db2.gz UTEJODGDNPSEIJ-SECBINFHSA-N 1 2 215.199 1.528 10 0 BDAELO CCOC(=O)[C@](C)([NH3+])c1c(F)cccc1F ZINC000037459883 170283818 /nfs/dbraw/zinc/28/38/18/170283818.db2.gz LJQFRUMVVJEQPG-LLVKDONJSA-N 1 2 229.226 1.702 10 0 BDAELO CCOC(=O)[C@]1([NH2+]C2CCCC2)CCSC1 ZINC000037970455 170286494 /nfs/dbraw/zinc/28/64/94/170286494.db2.gz RYINSDUTHHXTLG-LBPRGKRZSA-N 1 2 243.372 1.957 10 0 BDAELO CCOC(=O)c1[nH+]c(C)n([C@@H]2C[C@H]2C)c1N ZINC000052299085 170306758 /nfs/dbraw/zinc/30/67/58/170306758.db2.gz VLWBNUYYSBEUNF-HTRCEHHLSA-N 1 2 223.276 1.531 10 0 BDAELO Cc1nnc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)s1 ZINC000660833188 411650269 /nfs/dbraw/zinc/65/02/69/411650269.db2.gz QFHNLICBJFNLOB-CBAPKCEASA-N 1 2 227.333 1.192 10 0 BDAELO Cc1nnc(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)s1 ZINC000660833188 411650273 /nfs/dbraw/zinc/65/02/73/411650273.db2.gz QFHNLICBJFNLOB-CBAPKCEASA-N 1 2 227.333 1.192 10 0 BDAELO CCOc1cc([NH2+]CCCC(N)=O)ccc1N ZINC000104253582 170526059 /nfs/dbraw/zinc/52/60/59/170526059.db2.gz KGNUADPHNXIQDH-UHFFFAOYSA-N 1 2 237.303 1.345 10 0 BDAELO CC[N@@H+]1CCOC[C@H]1c1ccnc(N)c1 ZINC000616641603 411857905 /nfs/dbraw/zinc/85/79/05/411857905.db2.gz KNAOYRXGOBZETC-JTQLQIEISA-N 1 2 207.277 1.057 10 0 BDAELO CC[N@H+]1CCOC[C@H]1c1ccnc(N)c1 ZINC000616641603 411857907 /nfs/dbraw/zinc/85/79/07/411857907.db2.gz KNAOYRXGOBZETC-JTQLQIEISA-N 1 2 207.277 1.057 10 0 BDAELO COC(=O)N1CCC(c2ccc(N)[nH+]c2)CC1 ZINC000616619016 411910004 /nfs/dbraw/zinc/91/00/04/411910004.db2.gz FIGSPBXUNHJWDR-UHFFFAOYSA-N 1 2 235.287 1.610 10 0 BDAELO COc1ccc(-c2cc[nH+]c(N)c2C=O)cc1 ZINC000575601684 411917721 /nfs/dbraw/zinc/91/77/21/411917721.db2.gz GQVVVYQWNFSTFE-UHFFFAOYSA-N 1 2 228.251 2.152 10 0 BDAELO CC[C@@]1(C(F)(F)F)NCCc2[nH+]c[nH]c21 ZINC000065382204 171197286 /nfs/dbraw/zinc/19/72/86/171197286.db2.gz DLVITGZRXXJDQF-MRVPVSSYSA-N 1 2 219.210 1.723 10 0 BDAELO CC[C@H](C)Nc1cc[nH+]c(C(N)=S)c1 ZINC000061811812 171350537 /nfs/dbraw/zinc/35/05/37/171350537.db2.gz OTRRXMZJLNBQEJ-ZETCQYMHSA-N 1 2 209.318 1.926 10 0 BDAELO CCn1cc[nH+]c1[C@H](C)S(=O)(=O)NC1CC1 ZINC000095091271 172228881 /nfs/dbraw/zinc/22/88/81/172228881.db2.gz GUEKYXHJHBOCGM-QMMMGPOBSA-N 1 2 243.332 1.046 10 0 BDAELO C[N@H+](CC1CC1)c1ccc(N)c(C(N)=O)c1 ZINC000041670621 172652921 /nfs/dbraw/zinc/65/29/21/172652921.db2.gz DCCUNTLCVBDXFK-UHFFFAOYSA-N 1 2 219.288 1.214 10 0 BDAELO C[N@@H+](CC1CC1)c1ccc(N)c(C(N)=O)c1 ZINC000041670621 172652924 /nfs/dbraw/zinc/65/29/24/172652924.db2.gz DCCUNTLCVBDXFK-UHFFFAOYSA-N 1 2 219.288 1.214 10 0 BDAELO CNC(=O)C[C@H](C)Nc1ccc[nH+]c1C ZINC000134337047 173283345 /nfs/dbraw/zinc/28/33/45/173283345.db2.gz ZFIRVKYOPIPWJQ-QMMMGPOBSA-N 1 2 207.277 1.327 10 0 BDAELO CNC(=O)[C@@H](C)Nc1cn[nH+]c2ccccc12 ZINC000104120905 173295816 /nfs/dbraw/zinc/29/58/16/173295816.db2.gz HKPBUXSQXLERBL-MRVPVSSYSA-N 1 2 230.271 1.176 10 0 BDAELO CNC(=O)[C@H]1CCCN1c1ccc([NH3+])cc1C ZINC000058945858 173307787 /nfs/dbraw/zinc/30/77/87/173307787.db2.gz PUQZZRXTMDQLJA-GFCCVEGCSA-N 1 2 233.315 1.292 10 0 BDAELO C[NH2+]CC(=O)OCCc1ccc(Cl)s1 ZINC000077367792 173334687 /nfs/dbraw/zinc/33/46/87/173334687.db2.gz UAZKNIUTZMDXGX-UHFFFAOYSA-N 1 2 233.720 1.707 10 0 BDAELO C[NH2+]CC(=O)OCc1ccc(OC)c(C)c1 ZINC000077335249 173334756 /nfs/dbraw/zinc/33/47/56/173334756.db2.gz QBMLHPVSNCABHS-UHFFFAOYSA-N 1 2 223.272 1.266 10 0 BDAELO C[NH2+]CC(=O)OCCc1ccc2c(c1)CCCC2 ZINC000077417892 173335304 /nfs/dbraw/zinc/33/53/04/173335304.db2.gz FBNHEOWZRZIAOZ-UHFFFAOYSA-N 1 2 247.338 1.871 10 0 BDAELO C[NH2+]Cc1noc([C@H]2COc3ccccc3C2)n1 ZINC000110540968 173399326 /nfs/dbraw/zinc/39/93/26/173399326.db2.gz WBKRKFDKBKAJOS-SNVBAGLBSA-N 1 2 245.282 1.508 10 0 BDAELO COc1ccc(-c2cc(O)c[n+](C)c2)cc1 ZINC000005377861 175032014 /nfs/dbraw/zinc/03/20/14/175032014.db2.gz LIHZSGUMVIMGNV-UHFFFAOYSA-O 1 2 216.260 1.892 10 0 BDAELO COc1cccc(C(=O)C[N@@H+]2CCC[C@H](O)C2)c1 ZINC000050152778 175242408 /nfs/dbraw/zinc/24/24/08/175242408.db2.gz VTKLZUVAFPBYNW-LBPRGKRZSA-N 1 2 249.310 1.335 10 0 BDAELO COc1cccc(C(=O)C[N@H+]2CCC[C@H](O)C2)c1 ZINC000050152778 175242409 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CCNc1[nH+]cnc(Nc2cccc(C)n2)c1N ZINC000040685294 170178449 /nfs/dbraw/zinc/17/84/49/170178449.db2.gz DWNLBTVWWGPFFM-UHFFFAOYSA-N 1 2 244.302 1.938 10 0 BDAELO CCOC(=O)[C@@H](CCOC(C)(C)C)[NH2+]C1CC1 ZINC000062542947 170250832 /nfs/dbraw/zinc/25/08/32/170250832.db2.gz XLTPTFMDVZKCTI-LLVKDONJSA-N 1 2 243.347 1.875 10 0 BDAELO CCOC(=O)[C@@H]([NH3+])c1c[nH]c2ncccc12 ZINC000072201452 170253252 /nfs/dbraw/zinc/25/32/52/170253252.db2.gz FOGSCAFNLYZDCM-VIFPVBQESA-N 1 2 219.244 1.126 10 0 BDAELO CCOC(=O)[C@@H]([NH3+])c1ccc(F)cc1C ZINC000050579880 170254933 /nfs/dbraw/zinc/25/49/33/170254933.db2.gz MAKBKMPUKCVNIU-JTQLQIEISA-N 1 2 211.236 1.697 10 0 BDAELO CCOC(=O)[C@@](C)([NH3+])c1cc(C)ccc1OC ZINC000034715922 170261045 /nfs/dbraw/zinc/26/10/45/170261045.db2.gz XOCBKGZYDCCKBF-ZDUSSCGKSA-N 1 2 237.299 1.741 10 0 BDAELO CCOC(=O)[C@H](C)[NH2+]CCc1cccnc1 ZINC000043637793 170267747 /nfs/dbraw/zinc/26/77/47/170267747.db2.gz NZOHJSLOXVFITH-JTQLQIEISA-N 1 2 222.288 1.165 10 0 BDAELO CCOC(=O)[C@H](CCn1cccn1)[NH2+]C(C)C ZINC000062535633 170273106 /nfs/dbraw/zinc/27/31/06/170273106.db2.gz OZLWSJYXSZKSTP-NSHDSACASA-N 1 2 239.319 1.203 10 0 BDAELO CCOC(=O)[C@](C)([NH3+])c1ccc(F)cc1 ZINC000037459837 170284196 /nfs/dbraw/zinc/28/41/96/170284196.db2.gz PIKWGBWAPHXPNL-LLVKDONJSA-N 1 2 211.236 1.563 10 0 BDAELO CCOC(=O)[C@]1([NH3+])CCc2ccccc21 ZINC000037459890 170285839 /nfs/dbraw/zinc/28/58/39/170285839.db2.gz UBJMPCLTXLHGKE-LBPRGKRZSA-N 1 2 205.257 1.350 10 0 BDAELO CCOC(=O)[C@]1([NH2+]CCOC)CCC[C@@H](C)C1 ZINC000053257298 170286439 /nfs/dbraw/zinc/28/64/39/170286439.db2.gz YRNAYRUFICNDAQ-YPMHNXCESA-N 1 2 243.347 1.734 10 0 BDAELO CCOC(=O)c1cc2[nH]c[nH+]c2cc1N ZINC000045800810 170294832 /nfs/dbraw/zinc/29/48/32/170294832.db2.gz ACQRNOQGBGDKLR-UHFFFAOYSA-N 1 2 205.217 1.322 10 0 BDAELO CCOC(=O)c1ccc(Cn2cc[nH+]c2)o1 ZINC000040176239 170296002 /nfs/dbraw/zinc/29/60/02/170296002.db2.gz LJMCEXBHDFSGFU-UHFFFAOYSA-N 1 2 220.228 1.701 10 0 BDAELO Cc1nnc(C[N@H+]2CCC[C@H](O)[C@@H]2C)s1 ZINC000660692754 411618072 /nfs/dbraw/zinc/61/80/72/411618072.db2.gz ROBBQIWSCMSCDG-CBAPKCEASA-N 1 2 227.333 1.192 10 0 BDAELO Cc1nnc(C[N@@H+]2CCC[C@H](O)[C@@H]2C)s1 ZINC000660692754 411618073 /nfs/dbraw/zinc/61/80/73/411618073.db2.gz ROBBQIWSCMSCDG-CBAPKCEASA-N 1 2 227.333 1.192 10 0 BDAELO Cc1nnc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)s1 ZINC000660759199 411622363 /nfs/dbraw/zinc/62/23/63/411622363.db2.gz YJKKXYSOVIFXIW-CBAPKCEASA-N 1 2 227.333 1.049 10 0 BDAELO Cc1nnc(C[N@H+]2C[C@@H](C)C[C@H](O)C2)s1 ZINC000660759199 411622365 /nfs/dbraw/zinc/62/23/65/411622365.db2.gz YJKKXYSOVIFXIW-CBAPKCEASA-N 1 2 227.333 1.049 10 0 BDAELO CC(=O)N1CCC[C@H](c2ccc(N)[nH+]c2)C1 ZINC000616620078 411856053 /nfs/dbraw/zinc/85/60/53/411856053.db2.gz FCDKKHRFWPMUNS-NSHDSACASA-N 1 2 219.288 1.390 10 0 BDAELO COC(=O)N1CCC(c2cc[nH+]c(N)c2)CC1 ZINC000616618984 411909744 /nfs/dbraw/zinc/90/97/44/411909744.db2.gz BNGTVHLFOCUEHX-UHFFFAOYSA-N 1 2 235.287 1.610 10 0 BDAELO COC(=O)N1CCC[C@@H](c2ccc(N)[nH+]c2)CC1 ZINC000616631522 411909829 /nfs/dbraw/zinc/90/98/29/411909829.db2.gz ZATMFJJLVOOHEO-SNVBAGLBSA-N 1 2 249.314 2.000 10 0 BDAELO NC(=O)N1CCC[C@@H](c2cc[nH+]c(N)c2)CC1 ZINC000616627229 411976751 /nfs/dbraw/zinc/97/67/51/411976751.db2.gz GVHSKPDRIXEDDO-SECBINFHSA-N 1 2 234.303 1.312 10 0 BDAELO CC[C@@H]1C[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000233918810 171142138 /nfs/dbraw/zinc/14/21/38/171142138.db2.gz HVYCMWYUFNWIGN-PHDIDXHHSA-N 1 2 212.684 1.923 10 0 BDAELO CC[C@@H]1C[C@H]1Nc1[nH+]cnc(N)c1Cl ZINC000233918810 171142140 /nfs/dbraw/zinc/14/21/40/171142140.db2.gz HVYCMWYUFNWIGN-PHDIDXHHSA-N 1 2 212.684 1.923 10 0 BDAELO CCc1nc([C@@]2(NC)CC[N@H+](C)C2)sc1C ZINC000061991821 172005034 /nfs/dbraw/zinc/00/50/34/172005034.db2.gz VQRYBWUGPLHHER-GFCCVEGCSA-N 1 2 239.388 1.764 10 0 BDAELO CCc1[nH+]c2ccccc2n1[C@H]1COCC[C@@H]1O ZINC000062807828 172014321 /nfs/dbraw/zinc/01/43/21/172014321.db2.gz ALFWKSOBSKCCIH-STQMWFEESA-N 1 2 246.310 1.921 10 0 BDAELO CCc1nc2n(n1)C[C@@H](Nc1cccc[nH+]1)CC2 ZINC000108948825 172015473 /nfs/dbraw/zinc/01/54/73/172015473.db2.gz AVLYKMCQXONAFM-JTQLQIEISA-N 1 2 243.314 1.662 10 0 BDAELO CCn1cc(NCc2[nH]c[nH+]c2C)cn1 ZINC000054794595 172185921 /nfs/dbraw/zinc/18/59/21/172185921.db2.gz SMPDZYQZYJLVOW-UHFFFAOYSA-N 1 2 205.265 1.547 10 0 BDAELO C[N@@H+]1CCc2[nH]n(-c3ccccc3)c(=O)c2C1 ZINC000018191020 173003183 /nfs/dbraw/zinc/00/31/83/173003183.db2.gz CBMPQRPSDDZANJ-LLVKDONJSA-N 1 2 229.283 1.341 10 0 BDAELO C[N@H+]1CCc2[nH]n(-c3ccccc3)c(=O)c2C1 ZINC000018191020 173003185 /nfs/dbraw/zinc/00/31/85/173003185.db2.gz CBMPQRPSDDZANJ-LLVKDONJSA-N 1 2 229.283 1.341 10 0 BDAELO C[N@@H+]1CCC[C@H](CNc2cc[nH+]c(C(=O)[O-])c2)C1 ZINC000044539402 173043024 /nfs/dbraw/zinc/04/30/24/173043024.db2.gz LGAFURYELDUWJW-SNVBAGLBSA-N 1 2 249.314 1.534 10 0 BDAELO C[N@H+]1CCC[C@H](CNc2cc[nH+]c(C(=O)[O-])c2)C1 ZINC000044539402 173043028 /nfs/dbraw/zinc/04/30/28/173043028.db2.gz LGAFURYELDUWJW-SNVBAGLBSA-N 1 2 249.314 1.534 10 0 BDAELO CN1CC[NH+](CC[C@@H](O)c2cccs2)CC1 ZINC000041149389 173082707 /nfs/dbraw/zinc/08/27/07/173082707.db2.gz COAKBDUCYHQISG-LLVKDONJSA-N 1 2 240.372 1.419 10 0 BDAELO C[N@@H+]1CCc2sc(C(C)(C)O)nc2C1 ZINC000075845980 173176246 /nfs/dbraw/zinc/17/62/46/173176246.db2.gz GBCPTCZHQZNDAB-UHFFFAOYSA-N 1 2 212.318 1.358 10 0 BDAELO C[N@H+]1CCc2sc(C(C)(C)O)nc2C1 ZINC000075845980 173176250 /nfs/dbraw/zinc/17/62/50/173176250.db2.gz GBCPTCZHQZNDAB-UHFFFAOYSA-N 1 2 212.318 1.358 10 0 BDAELO CNC(=O)CCNc1ccc([NH+]2CCCC2)cc1 ZINC000062996046 173262525 /nfs/dbraw/zinc/26/25/25/173262525.db2.gz DZOKVAWKIKEISJ-UHFFFAOYSA-N 1 2 247.342 1.835 10 0 BDAELO CNC(=O)CC[NH2+]c1ccc(N2CCCC2)cc1 ZINC000062996046 173262527 /nfs/dbraw/zinc/26/25/27/173262527.db2.gz DZOKVAWKIKEISJ-UHFFFAOYSA-N 1 2 247.342 1.835 10 0 BDAELO CNC(=O)[C@H](C)Nc1ccc([NH3+])cc1C ZINC000042561133 173304159 /nfs/dbraw/zinc/30/41/59/173304159.db2.gz HGEHNXFFOJLHOK-QMMMGPOBSA-N 1 2 207.277 1.124 10 0 BDAELO CNC(=O)c1c(C)[nH+]ccc1OC1CC1 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ZINC000685957598 538905089 /nfs/dbraw/zinc/90/50/89/538905089.db2.gz CIWLYUFFBXYFJD-QMMMGPOBSA-N 1 2 204.264 1.468 10 0 BDAELO Nc1cn([C@@H]2CCOC3(CCC3)C2)c[nH+]1 ZINC000685964167 538910930 /nfs/dbraw/zinc/91/09/30/538910930.db2.gz DKARBSVLTCZBDY-SECBINFHSA-N 1 2 207.277 1.740 10 0 BDAELO Cc1cc(Cc2ccccn2)[nH+]c(N)c1C(N)=O ZINC000095081067 178058978 /nfs/dbraw/zinc/05/89/78/178058978.db2.gz ZSJFJOKXURBRIM-UHFFFAOYSA-N 1 2 242.282 1.057 10 0 BDAELO Cc1cc(Cl)nc(C[NH2+]C2COC2)c1 ZINC000287045273 178071499 /nfs/dbraw/zinc/07/14/99/178071499.db2.gz MMUZPMVOWMMXGY-UHFFFAOYSA-N 1 2 212.680 1.532 10 0 BDAELO Cc1cc(F)ccc1NCC[NH+]1CCOCC1 ZINC000020054564 178089542 /nfs/dbraw/zinc/08/95/42/178089542.db2.gz JECBWGWWTFQMMK-UHFFFAOYSA-N 1 2 238.306 1.878 10 0 BDAELO Cc1cc([NH3+])ccc1N1CCC[C@H]1C(N)=O ZINC000057381086 178105548 /nfs/dbraw/zinc/10/55/48/178105548.db2.gz YDABXJYKOFNIJG-NSHDSACASA-N 1 2 219.288 1.031 10 0 BDAELO Cc1cc(N)ccc1NC(=O)CCn1cc[nH+]c1 ZINC000022222419 178106172 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/nfs/dbraw/zinc/36/80/64/136368064.db2.gz UZXRCVYIBWOUTC-LLVKDONJSA-N 1 2 226.324 1.073 10 0 BDAELO CCC[C@@H](C)C(=O)N=S1(=O)CC[NH2+]CC1 ZINC000712141533 537783932 /nfs/dbraw/zinc/78/39/32/537783932.db2.gz KSBBYUKIYVBRHL-SECBINFHSA-N 1 2 232.349 1.020 10 0 BDAELO [NH3+][C@H](c1ncno1)c1ccc(Cl)c(F)c1 ZINC000205035935 343613156 /nfs/dbraw/zinc/61/31/56/343613156.db2.gz RTQWWUYAQYLMAQ-QMMMGPOBSA-N 1 2 227.626 1.910 10 0 BDAELO c1cc2c(o1)[C@@H](c1cnsc1)[NH2+]CC2 ZINC000712925094 537796239 /nfs/dbraw/zinc/79/62/39/537796239.db2.gz RBWULTHYTLJLKU-SECBINFHSA-N 1 2 206.270 1.971 10 0 BDAELO COc1nscc1[C@@H]1[NH2+]CCc2occc21 ZINC000712929354 537796743 /nfs/dbraw/zinc/79/67/43/537796743.db2.gz CXNNXFUAZWEORZ-SNVBAGLBSA-N 1 2 236.296 1.980 10 0 BDAELO C[NH2+][C@@H](c1nc(C)no1)c1cccnc1 ZINC000409441323 343859114 /nfs/dbraw/zinc/85/91/14/343859114.db2.gz OSQKURRIVUQSDG-SECBINFHSA-N 1 2 204.233 1.082 10 0 BDAELO [NH3+][C@H](c1noc(C2CC2)n1)c1ccccn1 ZINC000409441637 343860015 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C=Cn1cc(C[N@H+]2CCC[C@@]2(C)C(=O)OC)cn1 ZINC000194758842 188175040 /nfs/dbraw/zinc/17/50/40/188175040.db2.gz IPDKVSCZNXTTON-ZDUSSCGKSA-N 1 2 249.314 1.511 10 0 BDAELO C=Cn1cc(C[N@@H+]2CCC[C@@]2(C)C(=O)OC)cn1 ZINC000194758842 188175042 /nfs/dbraw/zinc/17/50/42/188175042.db2.gz IPDKVSCZNXTTON-ZDUSSCGKSA-N 1 2 249.314 1.511 10 0 BDAELO Cc1csc(C[NH2+]Cc2ccncn2)n1 ZINC000054789730 188178470 /nfs/dbraw/zinc/17/84/70/188178470.db2.gz SHTYXZIRAFJXIS-UHFFFAOYSA-N 1 2 220.301 1.531 10 0 BDAELO CCc1[nH+]ccn1-c1ncnc(Cl)c1N ZINC000062364797 188184222 /nfs/dbraw/zinc/18/42/22/188184222.db2.gz APSKFQNPJSUNOT-UHFFFAOYSA-N 1 2 223.667 1.460 10 0 BDAELO C[C@@H]1C[C@H](C(F)F)N2NC(C(F)F)=NC2=[NH+]1 ZINC000720978721 538115618 /nfs/dbraw/zinc/11/56/18/538115618.db2.gz ULLXKHNWQIHXHU-QWWZWVQMSA-N 1 2 238.188 1.252 10 0 BDAELO CC(C)(C)n1cc(C[NH2+]Cc2ccccn2)nn1 ZINC000232510658 538117857 /nfs/dbraw/zinc/11/78/57/538117857.db2.gz FDRYVVBSWFHAHQ-UHFFFAOYSA-N 1 2 245.330 1.718 10 0 BDAELO Cc1cc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)n(C)n1 ZINC000334596995 354230718 /nfs/dbraw/zinc/23/07/18/354230718.db2.gz MXXXMSJZWLBQIG-KBPBESRZSA-N 1 2 249.358 1.872 10 0 BDAELO Cc1cc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)n(C)n1 ZINC000334596995 354230719 /nfs/dbraw/zinc/23/07/19/354230719.db2.gz MXXXMSJZWLBQIG-KBPBESRZSA-N 1 2 249.358 1.872 10 0 BDAELO NC(=[NH2+])Nc1nnc(-c2ccco2)s1 ZINC000028008174 181191152 /nfs/dbraw/zinc/19/11/52/181191152.db2.gz IPDNTUMADPBKPT-UHFFFAOYSA-N 1 2 209.234 1.103 10 0 BDAELO CCCc1nsc(N[C@H]2CC[N@H+](CC)C2)n1 ZINC000389380454 355993533 /nfs/dbraw/zinc/99/35/33/355993533.db2.gz HXTJIJLJPXGFAO-VIFPVBQESA-N 1 2 240.376 1.419 10 0 BDAELO CCCc1nsc(N[C@H]2CC[N@@H+](CC)C2)n1 ZINC000389380454 355993535 /nfs/dbraw/zinc/99/35/35/355993535.db2.gz HXTJIJLJPXGFAO-VIFPVBQESA-N 1 2 240.376 1.419 10 0 BDAELO NC(=O)Cc1ccccc1NCc1[nH]cc[nH+]1 ZINC000049715344 181247047 /nfs/dbraw/zinc/24/70/47/181247047.db2.gz XYXAWGDPDHVLBU-UHFFFAOYSA-N 1 2 230.271 1.050 10 0 BDAELO NC(=O)[C@@H]([NH2+]C1CC1)c1c(F)cccc1Cl ZINC000037870509 181265069 /nfs/dbraw/zinc/26/50/69/181265069.db2.gz HWJJJZWEPMTMHH-JTQLQIEISA-N 1 2 242.681 1.758 10 0 BDAELO C[C@@H]1CC[NH2+]C[C@H]1Nc1nc(C2CC2)ns1 ZINC000389749855 357025186 /nfs/dbraw/zinc/02/51/86/357025186.db2.gz JTMBPXALGRLTNZ-VXNVDRBHSA-N 1 2 238.360 1.247 10 0 BDAELO CCCc1nsc(N[C@@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000389754040 357026651 /nfs/dbraw/zinc/02/66/51/357026651.db2.gz NVHOHWBZDOPVNX-DTWKUNHWSA-N 1 2 240.376 1.322 10 0 BDAELO Cc1ccc(C(=O)[C@@H]2COCC[NH2+]2)s1 ZINC000226430040 357053983 /nfs/dbraw/zinc/05/39/83/357053983.db2.gz LDCNXEXVDGOTBK-QMMMGPOBSA-N 1 2 211.286 1.228 10 0 BDAELO CC(C)C[N@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000121769997 357150941 /nfs/dbraw/zinc/15/09/41/357150941.db2.gz NNBHFMXWTDHWOM-SNVBAGLBSA-N 1 2 208.309 1.988 10 0 BDAELO CCc1nnc(C[N@@H+]2CC[C@@H](O)C[C@H]2C)s1 ZINC000639938401 357943284 /nfs/dbraw/zinc/94/32/84/357943284.db2.gz WGYBOASGHDCCCC-RKDXNWHRSA-N 1 2 241.360 1.446 10 0 BDAELO CCc1nnc(C[N@H+]2CC[C@@H](O)C[C@H]2C)s1 ZINC000639938401 357943290 /nfs/dbraw/zinc/94/32/90/357943290.db2.gz WGYBOASGHDCCCC-RKDXNWHRSA-N 1 2 241.360 1.446 10 0 BDAELO C[C@@H]1COC[C@@H](C)[NH+]1C[C@H](O)C(F)(F)F ZINC000035529656 357989770 /nfs/dbraw/zinc/98/97/70/357989770.db2.gz QIPOCGLARRJCHF-PRJMDXOYSA-N 1 2 227.226 1.019 10 0 BDAELO CCC1(O)CN(Cc2c[nH+]cn2C(C)C)C1 ZINC000085192826 134248640 /nfs/dbraw/zinc/24/86/40/134248640.db2.gz CTZJYBMJQALNFW-UHFFFAOYSA-N 1 2 223.320 1.421 10 0 BDAELO CCC[C@H](C)CN1CC[NH+](C[C@H](O)CC)CC1 ZINC000180163714 366387728 /nfs/dbraw/zinc/38/77/28/366387728.db2.gz JCCRYSWUFLEAMT-UONOGXRCSA-N 1 2 242.407 1.811 10 0 BDAELO CCOC(=O)[C@](C)([NH3+])c1cnc(C)s1 ZINC000584639198 358324461 /nfs/dbraw/zinc/32/44/61/358324461.db2.gz AASDKZHHNBWSPV-SECBINFHSA-N 1 2 214.290 1.189 10 0 BDAELO C[C@H](CNC(=O)CC(C)(C)C)[NH+]1CCOCC1 ZINC000046269818 358573732 /nfs/dbraw/zinc/57/37/32/358573732.db2.gz CLURNBAZNWDIJD-LLVKDONJSA-N 1 2 242.363 1.260 10 0 BDAELO C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1nncn1C ZINC000130568821 358632332 /nfs/dbraw/zinc/63/23/32/358632332.db2.gz NZUQIFAYUSJXOA-VWYCJHECSA-N 1 2 249.362 1.091 10 0 BDAELO Cc1c(N)c[nH+]c(N2CCC2)c1Br ZINC000306171126 358980210 /nfs/dbraw/zinc/98/02/10/358980210.db2.gz RMQSGFJBIIKIQP-UHFFFAOYSA-N 1 2 242.120 1.945 10 0 BDAELO Cn1cc(C[NH2+][C@@H]2COc3ccccc32)nn1 ZINC000070528356 359058131 /nfs/dbraw/zinc/05/81/31/359058131.db2.gz GWLGYFAOWQCNQN-LLVKDONJSA-N 1 2 230.271 1.038 10 0 BDAELO CC(C)(C)CNC(=O)N1CCn2cc[nH+]c2C1 ZINC000074902462 359133712 /nfs/dbraw/zinc/13/37/12/359133712.db2.gz RCJWHKFHSGCOOK-UHFFFAOYSA-N 1 2 236.319 1.454 10 0 BDAELO CCOC(=O)[C@H](CC)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000246657199 359154549 /nfs/dbraw/zinc/15/45/49/359154549.db2.gz KDXUIQCJIOUQCS-OUAUKWLOSA-N 1 2 229.320 1.485 10 0 BDAELO Cc1cnc([C@@H]([NH3+])c2ccsn2)cn1 ZINC000306211863 359305294 /nfs/dbraw/zinc/30/52/94/359305294.db2.gz VAKWCXKIKMPZDE-VIFPVBQESA-N 1 2 206.274 1.290 10 0 BDAELO CCOC(=O)C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000094368082 360305205 /nfs/dbraw/zinc/30/52/05/360305205.db2.gz XMUJRMWSAZLCDO-LLVKDONJSA-N 1 2 241.331 1.631 10 0 BDAELO COc1cc([C@H]([NH3+])c2cscn2)sn1 ZINC000306547814 360417418 /nfs/dbraw/zinc/41/74/18/360417418.db2.gz XHYKEKVDVLHRII-MRVPVSSYSA-N 1 2 227.314 1.656 10 0 BDAELO c1csc([C@H]2[NH2+]CCc3nc[nH]c32)n1 ZINC000306584661 360484822 /nfs/dbraw/zinc/48/48/22/360484822.db2.gz RXGQRGNLOMCFQQ-QMMMGPOBSA-N 1 2 206.274 1.101 10 0 BDAELO NC(=O)c1cnc2ccccc2c1-n1cc[nH+]c1 ZINC000104290757 181308471 /nfs/dbraw/zinc/30/84/71/181308471.db2.gz GXENLTLIZJBISV-UHFFFAOYSA-N 1 2 238.250 1.519 10 0 BDAELO Cc1nc([C@H](O)Cn2cc[nH+]c2)cs1 ZINC000306628076 361298970 /nfs/dbraw/zinc/29/89/70/361298970.db2.gz JFMRZRUALHOUKM-SECBINFHSA-N 1 2 209.274 1.382 10 0 BDAELO CSCc1nc([C@@H]2CCCC[NH2+]2)no1 ZINC000070190623 361478704 /nfs/dbraw/zinc/47/87/04/361478704.db2.gz IXMOECLKMJIYKT-ZETCQYMHSA-N 1 2 213.306 1.747 10 0 BDAELO COC(=O)[C@@](C)([NH3+])c1ccc(F)cc1Cl ZINC000070602640 361589089 /nfs/dbraw/zinc/58/90/89/361589089.db2.gz OQAPDGBQHCVZPU-JTQLQIEISA-N 1 2 231.654 1.826 10 0 BDAELO CCCc1nsc(N[C@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000630532977 364223088 /nfs/dbraw/zinc/22/30/88/364223088.db2.gz MECAXJNZOCYIGO-IUCAKERBSA-N 1 2 240.376 1.465 10 0 BDAELO C[C@@H]1CC[C@H](Nc2nc(C3CC3)ns2)C[NH2+]1 ZINC000630533996 364226617 /nfs/dbraw/zinc/22/66/17/364226617.db2.gz SLXNGCOIIOPQOG-APPZFPTMSA-N 1 2 238.360 1.390 10 0 BDAELO C[C@@H]1OCC[C@H]1[NH2+]CC(=O)OC(C)(C)C ZINC000134401499 364402345 /nfs/dbraw/zinc/40/23/45/364402345.db2.gz QUTJPVXJSVTSHD-DTWKUNHWSA-N 1 2 215.293 1.095 10 0 BDAELO CC[C@@]1(C)[NH2+]CN(CC(F)(F)F)C1=O ZINC000140206430 364433840 /nfs/dbraw/zinc/43/38/40/364433840.db2.gz CQNIZAHKZKPDDC-SSDOTTSWSA-N 1 2 210.199 1.107 10 0 BDAELO CC[N@H+](Cc1nnc(C(C)C)n1C)C1CC1 ZINC000195063702 367335678 /nfs/dbraw/zinc/33/56/78/367335678.db2.gz IRAKPERRZSHYRZ-UHFFFAOYSA-N 1 2 222.336 1.923 10 0 BDAELO CC[N@@H+](Cc1nnc(C(C)C)n1C)C1CC1 ZINC000195063702 367335681 /nfs/dbraw/zinc/33/56/81/367335681.db2.gz IRAKPERRZSHYRZ-UHFFFAOYSA-N 1 2 222.336 1.923 10 0 BDAELO CCOC(=O)CSCc1[nH+]ccn1CC ZINC000195516761 367366720 /nfs/dbraw/zinc/36/67/20/367366720.db2.gz WGBQRQCSQVMQKF-UHFFFAOYSA-N 1 2 228.317 1.699 10 0 BDAELO COc1ccc(Cc2cc(N)nc(C)[nH+]2)cc1 ZINC000076059364 367997466 /nfs/dbraw/zinc/99/74/66/367997466.db2.gz XVWOXBXOTKPIMZ-UHFFFAOYSA-N 1 2 229.283 1.967 10 0 BDAELO C[C@@H](C(=O)NC(C)(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000016333480 367950732 /nfs/dbraw/zinc/95/07/32/367950732.db2.gz GISJHTYVGWNIBU-MXWKQRLJSA-N 1 2 242.363 1.399 10 0 BDAELO CC1(C)CC2(CC(C)(C)[NH+]1O)OC[C@@H](CO)O2 ZINC000096031868 368338485 /nfs/dbraw/zinc/33/84/85/368338485.db2.gz QZSJOMHHDUGALT-SECBINFHSA-N 1 2 245.319 1.133 10 0 BDAELO NC(=O)N1C[C@@H](c2c[nH+]c[nH]2)Nc2ccccc21 ZINC000616693465 369115814 /nfs/dbraw/zinc/11/58/14/369115814.db2.gz TXOVYABFJCXQKG-JTQLQIEISA-N 1 2 243.270 1.462 10 0 BDAELO NC(=O)N1C[C@@H](c2c[nH]c[nH+]2)Nc2ccccc21 ZINC000616693465 369115818 /nfs/dbraw/zinc/11/58/18/369115818.db2.gz TXOVYABFJCXQKG-JTQLQIEISA-N 1 2 243.270 1.462 10 0 BDAELO CC(=O)N1C[C@H](c2[nH]cc[nH+]2)Nc2ccccc21 ZINC000616690178 369112333 /nfs/dbraw/zinc/11/23/33/369112333.db2.gz DZZZZZNZSVHIGG-LLVKDONJSA-N 1 2 242.282 1.929 10 0 BDAELO C[C@@H]1C[S@](=O)C[C@@H](c2ccsc2)[NH2+]1 ZINC000228659452 372064622 /nfs/dbraw/zinc/06/46/22/372064622.db2.gz OPIGPQVDJMRKLX-CERSQZSQSA-N 1 2 215.343 1.530 10 0 BDAELO C[C@H]1CC[C@H](C(=O)Cc2[nH+]ccn2C)O1 ZINC000229199117 372126439 /nfs/dbraw/zinc/12/64/39/372126439.db2.gz XBKJEEBESGKPGZ-WCBMZHEXSA-N 1 2 208.261 1.099 10 0 BDAELO C[C@H]1CN(C(=O)C(F)(F)F)C[C@H](C)[NH+]1C ZINC000141947116 373071791 /nfs/dbraw/zinc/07/17/91/373071791.db2.gz DMHPBBIMNOOUBI-BQBZGAKWSA-N 1 2 224.226 1.100 10 0 BDAELO COC(=O)[C@@H]([NH3+])Cc1c(F)cccc1F ZINC000069554719 373456039 /nfs/dbraw/zinc/45/60/39/373456039.db2.gz DBACYKHISMHRPA-VIFPVBQESA-N 1 2 215.199 1.008 10 0 BDAELO OCc1ccc(N2CCSCC2)[nH+]c1 ZINC000040865059 373850060 /nfs/dbraw/zinc/85/00/60/373850060.db2.gz HPAVARRAIRAKHP-UHFFFAOYSA-N 1 2 210.302 1.127 10 0 BDAELO O=[S@@]1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC000070674710 374174805 /nfs/dbraw/zinc/17/48/05/374174805.db2.gz SBFMFGYZIJOMIE-YGRLFVJLSA-N 1 2 229.732 1.733 10 0 BDAELO c1cc2c(ccnc2[C@@H]2COCC[NH2+]2)[nH]1 ZINC000089220679 183363294 /nfs/dbraw/zinc/36/32/94/183363294.db2.gz RVLYCYXZROMQAL-JTQLQIEISA-N 1 2 203.245 1.224 10 0 BDAELO c1cc2c(s1)CC[NH2+][C@H]2c1nncn1C1CC1 ZINC000054498458 183373637 /nfs/dbraw/zinc/37/36/37/183373637.db2.gz LBURTOIRGUGOGD-LLVKDONJSA-N 1 2 246.339 1.910 10 0 BDAELO CCC[C@@H](C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000046269727 169351421 /nfs/dbraw/zinc/35/14/21/169351421.db2.gz HPYWRJXBFOACIM-VXGBXAGGSA-N 1 2 242.363 1.260 10 0 BDAELO CCCn1ccnc1[C@H]([NH3+])c1cccnc1OC ZINC000061446633 169623646 /nfs/dbraw/zinc/62/36/46/169623646.db2.gz ARYGURUTKOZWRH-LLVKDONJSA-N 1 2 246.314 1.745 10 0 BDAELO CC(=O)N1CCN(c2cccc3[nH+]c[nH]c32)CC1 ZINC000089195149 383942134 /nfs/dbraw/zinc/94/21/34/383942134.db2.gz KLMCOFDIQIYILR-UHFFFAOYSA-N 1 2 244.298 1.231 10 0 BDAELO Cc1nc(N2CC(=O)N[C@@H]3CCCC[C@H]32)cc[nH+]1 ZINC000268191369 384054159 /nfs/dbraw/zinc/05/41/59/384054159.db2.gz KTDNCCCKOAIJGB-GHMZBOCLSA-N 1 2 246.314 1.032 10 0 BDAELO CC(C)[C@@H]1[NH+]=C(NC(C)(C)C)N(C)C1=O ZINC000039109141 384106504 /nfs/dbraw/zinc/10/65/04/384106504.db2.gz QVELQKKKGXJIDY-QMMMGPOBSA-N 1 2 211.309 1.227 10 0 BDAELO Cc1csc(NC[C@H]2C[N@H+](C)CCO2)n1 ZINC000078209313 384434831 /nfs/dbraw/zinc/43/48/31/384434831.db2.gz TYYZSBYAQLYASH-VIFPVBQESA-N 1 2 227.333 1.194 10 0 BDAELO Cc1csc(NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000078209313 384434836 /nfs/dbraw/zinc/43/48/36/384434836.db2.gz TYYZSBYAQLYASH-VIFPVBQESA-N 1 2 227.333 1.194 10 0 BDAELO COC(=O)[C@@H]1CC[C@H](c2ccccc2O)C[NH2+]1 ZINC000079026619 384480727 /nfs/dbraw/zinc/48/07/27/384480727.db2.gz BLSDEXPXLZWODT-ONGXEEELSA-N 1 2 235.283 1.401 10 0 BDAELO C[C@H]1C[C@H](O)C[N@H+](Cc2nccn2C(F)F)C1 ZINC000334746510 384565116 /nfs/dbraw/zinc/56/51/16/384565116.db2.gz QYTYDIWFFSESGJ-IUCAKERBSA-N 1 2 245.273 1.481 10 0 BDAELO C[C@H]1C[C@H](O)C[N@@H+](Cc2nccn2C(F)F)C1 ZINC000334746510 384565120 /nfs/dbraw/zinc/56/51/20/384565120.db2.gz QYTYDIWFFSESGJ-IUCAKERBSA-N 1 2 245.273 1.481 10 0 BDAELO C[C@@H]1C[C@@H]1Nc1cc[nH+]c(C(N)=S)c1 ZINC000061813321 384790242 /nfs/dbraw/zinc/79/02/42/384790242.db2.gz PZLAKWZTMIXWHO-SVRRBLITSA-N 1 2 207.302 1.536 10 0 BDAELO CCCc1nnc(NCCn2cc[nH+]c2)s1 ZINC000302158162 384975176 /nfs/dbraw/zinc/97/51/76/384975176.db2.gz XBLQLFPNVLTGMK-UHFFFAOYSA-N 1 2 237.332 1.799 10 0 BDAELO Cc1cnc(NC[C@H](C)[NH+]2CCOCC2)s1 ZINC000302129710 384961545 /nfs/dbraw/zinc/96/15/45/384961545.db2.gz XSGCPMAHHXFYIW-VIFPVBQESA-N 1 2 241.360 1.584 10 0 BDAELO COC[C@@H](C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000154825228 385359455 /nfs/dbraw/zinc/35/94/55/385359455.db2.gz BOUNTQUGIJBYQK-LLVKDONJSA-N 1 2 239.319 1.014 10 0 BDAELO COC(=O)[C@H]([NH3+])COc1ccccc1Cl ZINC000169726701 385418219 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/nfs/dbraw/zinc/54/44/73/386544473.db2.gz DKUIZROCWBRNEK-NXEZZACHSA-N 1 2 239.319 1.367 10 0 BDAELO Cc1cc([C@@H]([NH3+])c2nccn2C)sn1 ZINC000306680457 386646319 /nfs/dbraw/zinc/64/63/19/386646319.db2.gz KWASMKNPKBZZCG-MRVPVSSYSA-N 1 2 208.290 1.233 10 0 BDAELO CC[C@H](O)C[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000247594156 386727060 /nfs/dbraw/zinc/72/70/60/386727060.db2.gz RUCAQZWXMRQWCF-VHSXEESVSA-N 1 2 242.344 1.287 10 0 BDAELO CC[C@H](O)C[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000247594156 386727069 /nfs/dbraw/zinc/72/70/69/386727069.db2.gz RUCAQZWXMRQWCF-VHSXEESVSA-N 1 2 242.344 1.287 10 0 BDAELO CCCn1ncnc1C[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000394989821 386788006 /nfs/dbraw/zinc/78/80/06/386788006.db2.gz DPANYRQWAODIBQ-MNOVXSKESA-N 1 2 238.335 1.033 10 0 BDAELO CCCn1ncnc1C[N@H+]1CCC[C@H](O)[C@H]1C ZINC000394989821 386788011 /nfs/dbraw/zinc/78/80/11/386788011.db2.gz DPANYRQWAODIBQ-MNOVXSKESA-N 1 2 238.335 1.033 10 0 BDAELO COC(=O)[C@]12CCC[C@@H]1CN(c1cccc[nH+]1)C2 ZINC000302142116 386906555 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135215876 /nfs/dbraw/zinc/21/58/76/135215876.db2.gz KOUKLVWHRBFBDK-UHFFFAOYSA-N 1 2 239.237 1.022 10 0 BDAELO O=C(C[NH+]1CCC(CCO)CC1)C(F)(F)F ZINC000409422762 398084677 /nfs/dbraw/zinc/08/46/77/398084677.db2.gz IMQKWIGWJOGPQL-UHFFFAOYSA-N 1 2 239.237 1.212 10 0 BDAELO C[N@@H+]1CCC(=O)[C@@H](Cc2cccc(F)c2)C1 ZINC000261509080 398121766 /nfs/dbraw/zinc/12/17/66/398121766.db2.gz ZQTOBQXGQCIVSA-NSHDSACASA-N 1 2 221.275 1.889 10 0 BDAELO C[N@H+]1CCC(=O)[C@@H](Cc2cccc(F)c2)C1 ZINC000261509080 398121767 /nfs/dbraw/zinc/12/17/67/398121767.db2.gz ZQTOBQXGQCIVSA-NSHDSACASA-N 1 2 221.275 1.889 10 0 BDAELO C/C=C\C[S@@](=O)Cc1[nH+]ccn1CC ZINC000255302993 322922637 /nfs/dbraw/zinc/92/26/37/322922637.db2.gz BSGQQXUUIXZWAQ-PKXJPQMGSA-N 1 2 212.318 1.728 10 0 BDAELO Brc1csc([C@H]2CNCC[NH2+]2)c1 ZINC000071561439 166105650 /nfs/dbraw/zinc/10/56/50/166105650.db2.gz DUPLMHPJEIKRRM-SSDOTTSWSA-N 1 2 247.161 1.745 10 0 BDAELO CC(C)Oc1ccc([C@]2(C)[NH2+]CCNC2=O)cc1 ZINC000051925304 167302079 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177006799 /nfs/dbraw/zinc/00/67/99/177006799.db2.gz XDQCMMFBOAKRLM-CAHLUQPWSA-N 1 2 225.273 1.179 10 0 BDAELO C[C@H](O)[C@H]([NH3+])c1nc(-c2cccs2)no1 ZINC000021506540 177013339 /nfs/dbraw/zinc/01/33/39/177013339.db2.gz XDQCMMFBOAKRLM-FSPLSTOPSA-N 1 2 225.273 1.179 10 0 BDAELO C[C@H]1C[C@H](C)C[NH+](Cc2nnsc2N)C1 ZINC000050791955 177358642 /nfs/dbraw/zinc/35/86/42/177358642.db2.gz GMTJRBQGRNECLV-YUMQZZPRSA-N 1 2 226.349 1.598 10 0 BDAELO CCCc1nc(C[N@@H+]2C[C@H](O)CC[C@H]2C)no1 ZINC000399470212 262784265 /nfs/dbraw/zinc/78/42/65/262784265.db2.gz MIOOPGQALXGHPY-NXEZZACHSA-N 1 2 239.319 1.367 10 0 BDAELO CCc1nnc(NCc2[nH+]ccn2CC)s1 ZINC000230323895 323204618 /nfs/dbraw/zinc/20/46/18/323204618.db2.gz VVSJOIBBCVNACS-UHFFFAOYSA-N 1 2 237.332 1.929 10 0 BDAELO C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2COC2)o1 ZINC000087194772 325627866 /nfs/dbraw/zinc/62/78/66/325627866.db2.gz MCYDSPLMFGNYOC-KWQFWETISA-N 1 2 207.273 1.891 10 0 BDAELO OC[C@H]1COCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000159246870 488013972 /nfs/dbraw/zinc/01/39/72/488013972.db2.gz WEVPNHMYLYGSIL-LBPRGKRZSA-N 1 2 241.718 1.533 10 0 BDAELO OC[C@H]1COCC[N@H+]1Cc1cccc(Cl)c1 ZINC000159246870 488013974 /nfs/dbraw/zinc/01/39/74/488013974.db2.gz WEVPNHMYLYGSIL-LBPRGKRZSA-N 1 2 241.718 1.533 10 0 BDAELO OC[C@H]1COCC[N@@H+]1C/C=C/c1ccccc1 ZINC000168784605 487540491 /nfs/dbraw/zinc/54/04/91/487540491.db2.gz QULQZDFEUOAWRH-GBXSZLQWSA-N 1 2 233.311 1.393 10 0 BDAELO OC[C@H]1COCC[N@H+]1C/C=C/c1ccccc1 ZINC000168784605 487540495 /nfs/dbraw/zinc/54/04/95/487540495.db2.gz QULQZDFEUOAWRH-GBXSZLQWSA-N 1 2 233.311 1.393 10 0 BDAELO C[N@H+](CC(F)F)C[C@H]1CCC[C@@H](O)C1 ZINC000379658904 488146473 /nfs/dbraw/zinc/14/64/73/488146473.db2.gz OAGLIFOVQFLKLT-DTWKUNHWSA-N 1 2 207.264 1.734 10 0 BDAELO C[N@@H+](CC(F)F)C[C@H]1CCC[C@@H](O)C1 ZINC000379658904 488146478 /nfs/dbraw/zinc/14/64/78/488146478.db2.gz OAGLIFOVQFLKLT-DTWKUNHWSA-N 1 2 207.264 1.734 10 0 BDAELO CCCCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000220579823 490616762 /nfs/dbraw/zinc/61/67/62/490616762.db2.gz SHLLTRUKHIPWAT-JTQLQIEISA-N 1 2 235.331 1.739 10 0 BDAELO CCCCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000220579823 490616765 /nfs/dbraw/zinc/61/67/65/490616765.db2.gz SHLLTRUKHIPWAT-JTQLQIEISA-N 1 2 235.331 1.739 10 0 BDAELO CCOc1ccc([C@H](C(=O)OC)[NH+](C)C)cc1 ZINC000095532731 521249979 /nfs/dbraw/zinc/24/99/79/521249979.db2.gz LKKWOTDETOUAFM-GFCCVEGCSA-N 1 2 237.299 1.861 10 0 BDAELO COC(=O)[C@@H](c1ccc(C)c(F)c1)[NH+](C)C ZINC000095532709 523652345 /nfs/dbraw/zinc/65/23/45/523652345.db2.gz SMJKFCNHUVNZKL-LLVKDONJSA-N 1 2 225.263 1.910 10 0 BDAELO CC(C)[C@@H]1NC2(C[NH2+]C2)OCC12CCC2 ZINC000757145224 582526898 /nfs/dbraw/zinc/52/68/98/582526898.db2.gz OLHFLFRGDQPSGS-JTQLQIEISA-N 1 2 210.321 1.101 10 0 BDAELO C[C@@H]1CC[NH2+][C@@H](c2ccc(C(=O)[O-])cc2)[C@H]1[NH3+] ZINC000757216082 582560473 /nfs/dbraw/zinc/56/04/73/582560473.db2.gz PDLASTOLOPUGLY-ZHAHWJHGSA-N 1 2 234.299 1.383 10 0 BDAELO C[C@@H]1C[NH2+][C@@H](c2cccc(C(=O)[O-])c2)[C@H]([NH3+])C1 ZINC000757218783 586441640 /nfs/dbraw/zinc/44/16/40/586441640.db2.gz XAUGEXKELCIEMS-AXTRIDKLSA-N 1 2 234.299 1.383 10 0 BDAELO C[C@@H]1CC[NH2+][C@@H](c2cccc(C(=O)[O-])c2)[C@H]1[NH3+] ZINC000757219994 586442277 /nfs/dbraw/zinc/44/22/77/586442277.db2.gz ZNIPGERIBYLYKG-ZHAHWJHGSA-N 1 2 234.299 1.383 10 0 BDAELO OCCc1nc2[nH]ccc2c(NC2CC2)[nH+]1 ZINC000757564308 586461372 /nfs/dbraw/zinc/46/13/72/586461372.db2.gz DFTSJZIQPYZXJS-UHFFFAOYSA-N 1 2 218.260 1.067 10 0 BDAELO Nc1ccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)c[nH+]1 ZINC000308373260 631312495 /nfs/dbraw/zinc/31/24/95/631312495.db2.gz HBUJIJCIQOUEDT-JGPRNRPPSA-N 1 2 231.299 1.326 10 0 BDAELO C[NH2+][C@](C)(CCn1cc(Cl)cn1)C(=O)OC ZINC000045436983 631837829 /nfs/dbraw/zinc/83/78/29/631837829.db2.gz JNIGEVLSVFHNER-SNVBAGLBSA-N 1 2 245.710 1.078 10 0 BDAELO Cc1cc(N[C@@H](C)[C@@H](C)O)nc(C2CC2)[nH+]1 ZINC000309976897 632688938 /nfs/dbraw/zinc/68/89/38/632688938.db2.gz UBMVPAWKXCPESY-DTWKUNHWSA-N 1 2 221.304 1.844 10 0 BDAELO CCCC[C@H]([NH2+]C(C)(C)CO)C(=O)OC ZINC000233003159 642645421 /nfs/dbraw/zinc/64/54/21/642645421.db2.gz WGWWZBVMTNGXAK-VIFPVBQESA-N 1 2 217.309 1.079 10 0 BDAELO COC(=O)[C@H]([NH3+])Cc1sccc1Cl ZINC000238800686 642840266 /nfs/dbraw/zinc/84/02/66/642840266.db2.gz OSFNSBOYKGSXCK-ZCFIWIBFSA-N 1 2 219.693 1.444 10 0 BDAELO CC[C@H](C)[C@@H]([NH2+]C1CC(OC)C1)C(=O)OC ZINC000234016432 643234032 /nfs/dbraw/zinc/23/40/32/643234032.db2.gz PUFQYPNLUGMHOD-IDWGSYCQSA-N 1 2 229.320 1.341 10 0 BDAELO CC(=O)[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000082644921 643361893 /nfs/dbraw/zinc/36/18/93/643361893.db2.gz CIZHDXGHASNSNV-LLVKDONJSA-N 1 2 219.288 1.590 10 0 BDAELO CNc1cc(N[C@@H]2CCO[C@H]2C)nc[nH+]1 ZINC000134606791 711528861 /nfs/dbraw/zinc/52/88/61/711528861.db2.gz BXYDQLLVPPRORK-JGVFFNPUSA-N 1 2 208.265 1.108 10 0 BDAELO CNc1cc(N[C@@H]2CCO[C@H]2C)[nH+]cn1 ZINC000134606791 711528864 /nfs/dbraw/zinc/52/88/64/711528864.db2.gz BXYDQLLVPPRORK-JGVFFNPUSA-N 1 2 208.265 1.108 10 0 BDAELO C[C@H](C(N)=O)[N@H+](C)Cc1ccnc(Cl)c1 ZINC000711128388 712285967 /nfs/dbraw/zinc/28/59/67/712285967.db2.gz DKRNDZWALHAASY-SSDOTTSWSA-N 1 2 227.695 1.041 10 0 BDAELO C[C@H](C(N)=O)[N@@H+](C)Cc1ccnc(Cl)c1 ZINC000711128388 712285969 /nfs/dbraw/zinc/28/59/69/712285969.db2.gz DKRNDZWALHAASY-SSDOTTSWSA-N 1 2 227.695 1.041 10 0 BDAELO CC(C)(C)C[N@H+](CCn1cc[nH+]c1)CC(=O)[O-] ZINC000692146747 954692310 /nfs/dbraw/zinc/69/23/10/954692310.db2.gz VLSHUMKPMMXBLW-UHFFFAOYSA-N 1 2 239.319 1.316 10 0 BDAELO CC(C)(C)C[N@@H+](CCn1cc[nH+]c1)CC(=O)[O-] ZINC000692146747 954692318 /nfs/dbraw/zinc/69/23/18/954692318.db2.gz VLSHUMKPMMXBLW-UHFFFAOYSA-N 1 2 239.319 1.316 10 0 BDAELO C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCC(=O)[O-] ZINC000720890037 978075306 /nfs/dbraw/zinc/07/53/06/978075306.db2.gz RVKSXNYHKHUFPE-GHMZBOCLSA-N 1 2 226.320 1.020 10 0 BDAELO C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCC(=O)[O-] ZINC000720890037 978075312 /nfs/dbraw/zinc/07/53/12/978075312.db2.gz RVKSXNYHKHUFPE-GHMZBOCLSA-N 1 2 226.320 1.020 10 0 BDAELO C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC(=O)[O-] ZINC000720890037 978075319 /nfs/dbraw/zinc/07/53/19/978075319.db2.gz RVKSXNYHKHUFPE-GHMZBOCLSA-N 1 2 226.320 1.020 10 0 BDAELO C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCCC(=O)[O-] ZINC000720890037 978075327 /nfs/dbraw/zinc/07/53/27/978075327.db2.gz RVKSXNYHKHUFPE-GHMZBOCLSA-N 1 2 226.320 1.020 10 0 BDAELO CNCC(F)(F)C[N@@H+]1CCCC[C@@H]1C ZINC000685956467 538902736 /nfs/dbraw/zinc/90/27/36/538902736.db2.gz BLMLWGZYQSKVAK-VIFPVBQESA-N 1 2 206.280 1.716 10 0 BDAELO CNCC(F)(F)C[N@H+]1CCCC[C@@H]1C ZINC000685956467 538902737 /nfs/dbraw/zinc/90/27/37/538902737.db2.gz BLMLWGZYQSKVAK-VIFPVBQESA-N 1 2 206.280 1.716 10 0 BDAELO CC[C@H](C)C[N@H+](C)CC(F)(F)CNC ZINC000685957867 538905276 /nfs/dbraw/zinc/90/52/76/538905276.db2.gz JNBROPXXIYEWIZ-VIFPVBQESA-N 1 2 208.296 1.819 10 0 BDAELO CC[C@H](C)C[N@@H+](C)CC(F)(F)CNC ZINC000685957867 538905278 /nfs/dbraw/zinc/90/52/78/538905278.db2.gz JNBROPXXIYEWIZ-VIFPVBQESA-N 1 2 208.296 1.819 10 0 BDAELO CC(C)[C@H]1Nc2ccc([NH3+])cc2C[C@H]1O ZINC000685963176 538910269 /nfs/dbraw/zinc/91/02/69/538910269.db2.gz IIMAPZMOSMRTSF-VXGBXAGGSA-N 1 2 206.289 1.622 10 0 BDAELO CCC[C@H]1Nc2ccc([NH3+])cc2C[C@@H]1O ZINC000685963833 538910799 /nfs/dbraw/zinc/91/07/99/538910799.db2.gz XXPDWLCOVBIKPF-NEPJUHHUSA-N 1 2 206.289 1.766 10 0 BDAELO Cc1cc([NH3+])ccc1NCC(=O)NC(C)C ZINC000036781433 178105899 /nfs/dbraw/zinc/10/58/99/178105899.db2.gz KFYGZVRFEDBGOK-UHFFFAOYSA-N 1 2 221.304 1.514 10 0 BDAELO Cc1cc([NH3+])ccc1N[C@@H](C)c1nncn1C ZINC000050417177 178106948 /nfs/dbraw/zinc/10/69/48/178106948.db2.gz JZKKOZVTPNDWHN-VIFPVBQESA-N 1 2 231.303 1.879 10 0 BDAELO Cc1cc([NH3+])ccc1N[C@@H](C)C(=O)N(C)C ZINC000042561785 178107328 /nfs/dbraw/zinc/10/73/28/178107328.db2.gz NDBBOJLQMDLVLL-VIFPVBQESA-N 1 2 221.304 1.466 10 0 BDAELO Cc1cc(NC(=O)c2cccnc2N)cc[nH+]1 ZINC000082698007 178151167 /nfs/dbraw/zinc/15/11/67/178151167.db2.gz PQBZDTIAUASMKF-UHFFFAOYSA-N 1 2 228.255 1.620 10 0 BDAELO Cc1cc(NCC[C@@H]2CCCO2)nc[nH+]1 ZINC000040727406 178163343 /nfs/dbraw/zinc/16/33/43/178163343.db2.gz WKISZTINHNEKPQ-JTQLQIEISA-N 1 2 207.277 1.766 10 0 BDAELO COC[C@@H](C)[NH2+][C@H](C)c1nc(C(C)C)no1 ZINC000381484856 398259152 /nfs/dbraw/zinc/25/91/52/398259152.db2.gz UWDQAHBHOBGIFR-RKDXNWHRSA-N 1 2 227.308 1.879 10 0 BDAELO CCC(CC)N(CCO)c1cc(CO)cc[nH+]1 ZINC000042513021 168374364 /nfs/dbraw/zinc/37/43/64/168374364.db2.gz IEUDWXHSLWPYKH-UHFFFAOYSA-N 1 2 238.331 1.561 10 0 BDAELO Cc1ccc(C(=O)C[N@@H+]2CCC[C@@H](O)C2)cc1C ZINC000050152688 178373806 /nfs/dbraw/zinc/37/38/06/178373806.db2.gz CBRHVGBMNMCCMW-CQSZACIVSA-N 1 2 247.338 1.943 10 0 BDAELO Cc1ccc(C(=O)C[N@H+]2CCC[C@@H](O)C2)cc1C ZINC000050152688 178373808 /nfs/dbraw/zinc/37/38/08/178373808.db2.gz CBRHVGBMNMCCMW-CQSZACIVSA-N 1 2 247.338 1.943 10 0 BDAELO CCOC(=O)N1CC[C@@H](c2ccc[nH+]c2N)C1 ZINC000616613108 349600588 /nfs/dbraw/zinc/60/05/88/349600588.db2.gz LWUBJVXTBUAZEM-SECBINFHSA-N 1 2 235.287 1.610 10 0 BDAELO CC(C)(C)O[NH2+]C1CCC2(CC1)OCCO2 ZINC000134480289 342857699 /nfs/dbraw/zinc/85/76/99/342857699.db2.gz KNVKYOMTEZEFBK-UHFFFAOYSA-N 1 2 229.320 1.992 10 0 BDAELO COC[C@@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000103519690 398321788 /nfs/dbraw/zinc/32/17/88/398321788.db2.gz XZSHVVQBOMQXIC-MRVPVSSYSA-N 1 2 208.261 1.611 10 0 BDAELO Clc1nsnc1N1CC[NH+](C2CC2)CC1 ZINC000042491487 362003726 /nfs/dbraw/zinc/00/37/26/362003726.db2.gz PGZGOXSVRLSPEZ-UHFFFAOYSA-N 1 2 244.751 1.476 10 0 BDAELO CCCc1cc(=O)n(-c2cc(N)cc[nH+]2)[nH]1 ZINC000584880239 343080635 /nfs/dbraw/zinc/08/06/35/343080635.db2.gz IMHCYDKAYBLUNT-UHFFFAOYSA-N 1 2 218.260 1.557 10 0 BDAELO Cc1noc([C@@H]2CCN(c3cc[nH+]c(C)n3)C2)n1 ZINC000408032866 136273209 /nfs/dbraw/zinc/27/32/09/136273209.db2.gz DCXRUSPYSFTETR-SNVBAGLBSA-N 1 2 245.286 1.470 10 0 BDAELO O=C1c2ccccc2C[C@@H]1CC[NH+]1CCOCC1 ZINC000093121891 343150754 /nfs/dbraw/zinc/15/07/54/343150754.db2.gz YJDDQMBHUVDPDR-ZDUSSCGKSA-N 1 2 245.322 1.764 10 0 BDAELO CC1CC[NH+](c2ccc(N)c(C(N)=O)c2)CC1 ZINC000034416817 343270366 /nfs/dbraw/zinc/27/03/66/343270366.db2.gz KAAJPGPDKJDBDD-UHFFFAOYSA-N 1 2 233.315 1.604 10 0 BDAELO Cn1cc(-c2ccccc2)[nH+]c1CCO ZINC000038974206 343380861 /nfs/dbraw/zinc/38/08/61/343380861.db2.gz ORTOIUYGGQSINR-UHFFFAOYSA-N 1 2 202.257 1.622 10 0 BDAELO CCCNC(=O)[C@H](C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000247983497 136373342 /nfs/dbraw/zinc/37/33/42/136373342.db2.gz HWYWKDXIPGOTCT-DCAQKATOSA-N 1 2 228.336 1.010 10 0 BDAELO c1cc2c(s1)[C@@H](c1csnn1)[NH2+]CC2 ZINC000712526796 537789713 /nfs/dbraw/zinc/78/97/13/537789713.db2.gz YAWLRCUHTCXECL-MRVPVSSYSA-N 1 2 223.326 1.835 10 0 BDAELO C[C@H]1CC[N@H+](Cc2nc(C3CC3)no2)C[C@H]1O ZINC000299910286 349868943 /nfs/dbraw/zinc/86/89/43/349868943.db2.gz ZADGTISQLBAQQN-WCBMZHEXSA-N 1 2 237.303 1.150 10 0 BDAELO C[C@H]1CC[N@@H+](Cc2nc(C3CC3)no2)C[C@H]1O ZINC000299910286 349868948 /nfs/dbraw/zinc/86/89/48/349868948.db2.gz ZADGTISQLBAQQN-WCBMZHEXSA-N 1 2 237.303 1.150 10 0 BDAELO [NH3+][C@@H](c1nc(C2CC2)no1)c1cccnc1 ZINC000409442020 343856900 /nfs/dbraw/zinc/85/69/00/343856900.db2.gz SIBAEIHCQJTKGR-SECBINFHSA-N 1 2 216.244 1.390 10 0 BDAELO COC(=[NH2+])c1cc(-c2ccncc2)nn1C ZINC000409444070 343867128 /nfs/dbraw/zinc/86/71/28/343867128.db2.gz ZOOCUMATXXCTOX-UHFFFAOYSA-N 1 2 216.244 1.454 10 0 BDAELO COC(=O)N1CCC[C@@H](c2ccc[nH+]c2N)C1 ZINC000616618299 344565165 /nfs/dbraw/zinc/56/51/65/344565165.db2.gz NVTJCHAGHTYXLO-SECBINFHSA-N 1 2 235.287 1.610 10 0 BDAELO O=C(C[N@@H+]1CCCSCC1)c1ccco1 ZINC000050157662 344650550 /nfs/dbraw/zinc/65/05/50/344650550.db2.gz IWQIDCFOKFGFEP-UHFFFAOYSA-N 1 2 225.313 1.901 10 0 BDAELO O=C(C[N@H+]1CCCSCC1)c1ccco1 ZINC000050157662 344650552 /nfs/dbraw/zinc/65/05/52/344650552.db2.gz IWQIDCFOKFGFEP-UHFFFAOYSA-N 1 2 225.313 1.901 10 0 BDAELO O=c1ccc(-c2ccc(-c3[nH]cc[nH+]3)cc2)n[nH]1 ZINC000029569665 344673547 /nfs/dbraw/zinc/67/35/47/344673547.db2.gz ZUOGTJVNQLGUKO-UHFFFAOYSA-N 1 2 238.250 1.827 10 0 BDAELO CC[C@@H]1CC[N@H+](Cc2nnsc2N)C1 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[NH3+]CC[N@H+]1CC[C@@H](c2ccccc2C(=O)[O-])C1 ZINC000616614623 350836299 /nfs/dbraw/zinc/83/62/99/350836299.db2.gz SMMYPOCBKODGED-SNVBAGLBSA-N 1 2 234.299 1.133 10 0 BDAELO COC(=O)N1CCC[C@H](c2ccc[nH+]c2N)C1 ZINC000616617312 350865218 /nfs/dbraw/zinc/86/52/18/350865218.db2.gz NVTJCHAGHTYXLO-VIFPVBQESA-N 1 2 235.287 1.610 10 0 BDAELO Clc1nccc(C[NH+]2CCSCC2)n1 ZINC000306735787 350905630 /nfs/dbraw/zinc/90/56/30/350905630.db2.gz WQNAEZNMWCJWQK-UHFFFAOYSA-N 1 2 229.736 1.679 10 0 BDAELO COC(=O)N1CC[NH2+][C@H](c2ccccc2F)C1 ZINC000616632545 351112311 /nfs/dbraw/zinc/11/23/11/351112311.db2.gz QQFIHIDYPVGOLA-NSHDSACASA-N 1 2 238.262 1.538 10 0 BDAELO CC(C)(C)N1CC[NH2+][C@@H](c2cncnc2)C1 ZINC000616632663 351112466 /nfs/dbraw/zinc/11/24/66/351112466.db2.gz WHVOEWIVDUVZDY-LLVKDONJSA-N 1 2 220.320 1.221 10 0 BDAELO CC(=O)N1CCCCC[C@H]1c1c[nH+]c[nH]1 ZINC000616623927 351090360 /nfs/dbraw/zinc/09/03/60/351090360.db2.gz ORIUBIZXESZZQZ-NSHDSACASA-N 1 2 207.277 1.873 10 0 BDAELO 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/nfs/dbraw/zinc/11/86/24/188118624.db2.gz AHAZKVZWHYCRME-UHFFFAOYSA-N 1 2 233.250 1.983 10 0 BDAELO CC(C)[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000103478964 188150292 /nfs/dbraw/zinc/15/02/92/188150292.db2.gz PWSSPCLGBFKWPL-VIFPVBQESA-N 1 2 212.318 1.925 10 0 BDAELO CC(C)[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000103478964 188150294 /nfs/dbraw/zinc/15/02/94/188150294.db2.gz PWSSPCLGBFKWPL-VIFPVBQESA-N 1 2 212.318 1.925 10 0 BDAELO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000134548288 538112862 /nfs/dbraw/zinc/11/28/62/538112862.db2.gz MUYXIUVXCXNVQV-PEXQALLHSA-N 1 2 223.320 1.936 10 0 BDAELO c1[nH]nnc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000398355310 363224310 /nfs/dbraw/zinc/22/43/10/363224310.db2.gz VDHYEHQOIFLRRV-GFCCVEGCSA-N 1 2 214.272 1.582 10 0 BDAELO c1n[nH]nc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000398355310 363224316 /nfs/dbraw/zinc/22/43/16/363224316.db2.gz VDHYEHQOIFLRRV-GFCCVEGCSA-N 1 2 214.272 1.582 10 0 BDAELO Cc1cc(C[NH2+]C2CS(=O)(=O)C2)ccc1F ZINC000309873159 538117704 /nfs/dbraw/zinc/11/77/04/538117704.db2.gz RNFAZERBFQAROX-UHFFFAOYSA-N 1 2 243.303 1.021 10 0 BDAELO NC(=[NH2+])c1ccc(O)c(Br)c1 ZINC000084296371 181195046 /nfs/dbraw/zinc/19/50/46/181195046.db2.gz RGNNKKVUNLXQTL-UHFFFAOYSA-N 1 2 215.050 1.439 10 0 BDAELO CCC(F)(F)C[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000639665573 356580435 /nfs/dbraw/zinc/58/04/35/356580435.db2.gz ZMHTYWDUULJNDB-BDAKNGLRSA-N 1 2 207.264 1.877 10 0 BDAELO CCC(F)(F)C[N@H+]1CCC[C@H](O)[C@H]1C ZINC000639665573 356580436 /nfs/dbraw/zinc/58/04/36/356580436.db2.gz ZMHTYWDUULJNDB-BDAKNGLRSA-N 1 2 207.264 1.877 10 0 BDAELO COC(=O)C(F)(F)[C@H]([NH3+])c1ccccc1 ZINC000095684016 538609527 /nfs/dbraw/zinc/60/95/27/538609527.db2.gz QAFOHUDVDDXSIF-MRVPVSSYSA-N 1 2 215.199 1.495 10 0 BDAELO CCC(C)(C)NC(=O)C[NH+]1[C@H](C)COC[C@H]1C ZINC000077366510 535356296 /nfs/dbraw/zinc/35/62/96/535356296.db2.gz AYJWXSVCAPZIHE-GHMZBOCLSA-N 1 2 242.363 1.400 10 0 BDAELO CCOC(=O)C(F)(F)C[NH+](CC)CC ZINC000259990000 538834847 /nfs/dbraw/zinc/83/48/47/538834847.db2.gz ICCQNTJUBRYZTM-UHFFFAOYSA-N 1 2 209.236 1.527 10 0 BDAELO Cc1cnc([C@H](C)[NH2+]C[C@H](O)C(F)(F)F)o1 ZINC000231221217 357599707 /nfs/dbraw/zinc/59/97/07/357599707.db2.gz QAQLRXNTTLTUIL-BQBZGAKWSA-N 1 2 238.209 1.557 10 0 BDAELO C[C@H]1C[N@H+](CC(=O)OC(C)(C)C)CCS1 ZINC000171686532 134259867 /nfs/dbraw/zinc/25/98/67/134259867.db2.gz VALGCYGMHKXAMP-VIFPVBQESA-N 1 2 231.361 1.765 10 0 BDAELO C[C@H]1C[N@@H+](CC(=O)OC(C)(C)C)CCS1 ZINC000171686532 134259868 /nfs/dbraw/zinc/25/98/68/134259868.db2.gz VALGCYGMHKXAMP-VIFPVBQESA-N 1 2 231.361 1.765 10 0 BDAELO CC(=O)[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000584624559 358292304 /nfs/dbraw/zinc/29/23/04/358292304.db2.gz WHSKPVLWZZAFMP-LBPRGKRZSA-N 1 2 232.327 1.786 10 0 BDAELO COC(=O)[C@H]1CCC[C@@H](Cc2ccccc2)[NH2+]1 ZINC000584655661 358308367 /nfs/dbraw/zinc/30/83/67/358308367.db2.gz RZPANVHZHBREOJ-QWHCGFSZSA-N 1 2 233.311 1.913 10 0 BDAELO Cc1cccc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000074773190 359128349 /nfs/dbraw/zinc/12/83/49/359128349.db2.gz KQCHTIUAZACJNF-CYBMUJFWSA-N 1 2 248.326 1.055 10 0 BDAELO Cc1cccc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000074773190 359128351 /nfs/dbraw/zinc/12/83/51/359128351.db2.gz KQCHTIUAZACJNF-CYBMUJFWSA-N 1 2 248.326 1.055 10 0 BDAELO COC(=O)C[N@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC000090876752 360091515 /nfs/dbraw/zinc/09/15/15/360091515.db2.gz IZLRPANFAAPDOF-NSHDSACASA-N 1 2 235.283 1.095 10 0 BDAELO COC(=O)C[N@@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC000090876752 360091519 /nfs/dbraw/zinc/09/15/19/360091519.db2.gz IZLRPANFAAPDOF-NSHDSACASA-N 1 2 235.283 1.095 10 0 BDAELO Cc1ccc([C@H]2CN(Cc3c[nH+]c[nH]3)CCO2)o1 ZINC000093864826 360284152 /nfs/dbraw/zinc/28/41/52/360284152.db2.gz BAIDGRLVFGUPTP-CYBMUJFWSA-N 1 2 247.298 1.885 10 0 BDAELO Cc1ccc([C@H]2CN(Cc3c[nH]c[nH+]3)CCO2)o1 ZINC000093864826 360284156 /nfs/dbraw/zinc/28/41/56/360284156.db2.gz BAIDGRLVFGUPTP-CYBMUJFWSA-N 1 2 247.298 1.885 10 0 BDAELO NC(=O)c1ccc(NCc2c[nH+]c[nH]2)cc1 ZINC000054763144 181300476 /nfs/dbraw/zinc/30/04/76/181300476.db2.gz LSHHXBUMNSIVSE-UHFFFAOYSA-N 1 2 216.244 1.121 10 0 BDAELO NC(=O)c1ccc(NCc2c[nH]c[nH+]2)cc1 ZINC000054763144 181300478 /nfs/dbraw/zinc/30/04/78/181300478.db2.gz LSHHXBUMNSIVSE-UHFFFAOYSA-N 1 2 216.244 1.121 10 0 BDAELO Cc1cc[nH+]c(C)c1-n1cnnc1Cl ZINC000306568071 360446030 /nfs/dbraw/zinc/44/60/30/360446030.db2.gz UDYODLFXPZEPFE-UHFFFAOYSA-N 1 2 208.652 1.933 10 0 BDAELO C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1ncon1 ZINC000306586638 360486333 /nfs/dbraw/zinc/48/63/33/360486333.db2.gz RKVSSDIYGMHGSM-BIIVOSGPSA-N 1 2 213.306 1.472 10 0 BDAELO Nc1[nH+]cnc(N2CCC2)c1Br ZINC000306611769 360852566 /nfs/dbraw/zinc/85/25/66/360852566.db2.gz MBVOWEAYCXRFHW-UHFFFAOYSA-N 1 2 229.081 1.031 10 0 BDAELO Nc1nc[nH+]c(N2CCC2)c1Br ZINC000306611769 360852569 /nfs/dbraw/zinc/85/25/69/360852569.db2.gz MBVOWEAYCXRFHW-UHFFFAOYSA-N 1 2 229.081 1.031 10 0 BDAELO NC(=S)Cc1c[nH+]c2ccc(Cl)cn12 ZINC000031935558 181317768 /nfs/dbraw/zinc/31/77/68/181317768.db2.gz LCPCZKRGRWETCW-UHFFFAOYSA-N 1 2 225.704 1.816 10 0 BDAELO NC(=S)c1cc[nH+]c(NC2CCC2)c1 ZINC000052211770 181321635 /nfs/dbraw/zinc/32/16/35/181321635.db2.gz RSYRZFWNYHYEKC-UHFFFAOYSA-N 1 2 207.302 1.680 10 0 BDAELO COC(=O)[C@@](C)([NH3+])c1ccc(F)c(F)c1 ZINC000037459635 364041792 /nfs/dbraw/zinc/04/17/92/364041792.db2.gz CCLHYXCHTSQTSE-JTQLQIEISA-N 1 2 215.199 1.312 10 0 BDAELO Cc1nc(Cl)c(F)c(N2CC[NH+](C)CC2)n1 ZINC000725273018 541340471 /nfs/dbraw/zinc/34/04/71/541340471.db2.gz PHRBUGWZOUJWSQ-UHFFFAOYSA-N 1 2 244.701 1.329 10 0 BDAELO CCc1nsc(N[C@@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000630531698 364222952 /nfs/dbraw/zinc/22/29/52/364222952.db2.gz CNLGLSUKBKHPKL-JGVFFNPUSA-N 1 2 226.349 1.075 10 0 BDAELO C[C@@H]1C[C@@H]1NC(=O)NCCCNc1cccc[nH+]1 ZINC000170806560 364287980 /nfs/dbraw/zinc/28/79/80/364287980.db2.gz OLDHUPVBTDSJDJ-MNOVXSKESA-N 1 2 248.330 1.591 10 0 BDAELO [NH3+]CC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000037712734 181396689 /nfs/dbraw/zinc/39/66/89/181396689.db2.gz UMTZHYZOGDYRIB-UHFFFAOYSA-N 1 2 242.706 1.160 10 0 BDAELO COc1cc(-c2[nH]cc(CCO)[nH+]2)ccc1N ZINC000116667149 370810642 /nfs/dbraw/zinc/81/06/42/370810642.db2.gz UULAEQAAAPOLRD-UHFFFAOYSA-N 1 2 233.271 1.202 10 0 BDAELO CC(=O)N1C[C@H](c2c[nH+]c[nH]2)Nc2ccccc21 ZINC000616690805 369113276 /nfs/dbraw/zinc/11/32/76/369113276.db2.gz HNRFZFZMTIWYML-GFCCVEGCSA-N 1 2 242.282 1.929 10 0 BDAELO CC(=O)N1C[C@H](c2c[nH]c[nH+]2)Nc2ccccc21 ZINC000616690805 369113278 /nfs/dbraw/zinc/11/32/78/369113278.db2.gz HNRFZFZMTIWYML-GFCCVEGCSA-N 1 2 242.282 1.929 10 0 BDAELO C[C@@H]1C[N@H+](C)C[C@H](c2nc(C3CCC3)no2)O1 ZINC000621785927 370539139 /nfs/dbraw/zinc/53/91/39/370539139.db2.gz NRBDINYFGJZZRM-PSASIEDQSA-N 1 2 237.303 1.729 10 0 BDAELO C[C@@H]1C[N@@H+](C)C[C@H](c2nc(C3CCC3)no2)O1 ZINC000621785927 370539142 /nfs/dbraw/zinc/53/91/42/370539142.db2.gz NRBDINYFGJZZRM-PSASIEDQSA-N 1 2 237.303 1.729 10 0 BDAELO Cn1cc[nH+]c1[C@H](NO)c1cccs1 ZINC000132127618 371755957 /nfs/dbraw/zinc/75/59/57/371755957.db2.gz IHBVSSNWNAUJQH-MRVPVSSYSA-N 1 2 209.274 1.550 10 0 BDAELO Cc1c[nH+]cc(C[C@H]2CSC[C@@H]2O)c1 ZINC000228632797 372060083 /nfs/dbraw/zinc/06/00/83/372060083.db2.gz CDXURKGJNOKMRN-QWRGUYRKSA-N 1 2 209.314 1.656 10 0 BDAELO CCC1(C[N@@H+]2CCC(=O)C2)CCOCC1 ZINC000306429173 372020626 /nfs/dbraw/zinc/02/06/26/372020626.db2.gz OHSYQXPWJDNRHU-UHFFFAOYSA-N 1 2 211.305 1.468 10 0 BDAELO CCC1(C[N@H+]2CCC(=O)C2)CCOCC1 ZINC000306429173 372020629 /nfs/dbraw/zinc/02/06/29/372020629.db2.gz OHSYQXPWJDNRHU-UHFFFAOYSA-N 1 2 211.305 1.468 10 0 BDAELO CS[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCOC1=O ZINC000306465257 372023759 /nfs/dbraw/zinc/02/37/59/372023759.db2.gz BAYHPZUZVDDMPH-XHNCKOQMSA-N 1 2 215.318 1.176 10 0 BDAELO Nc1c[nH+]ccc1NC(=O)C(F)(F)F ZINC000229558546 372164596 /nfs/dbraw/zinc/16/45/96/372164596.db2.gz FVHMZEOUWUYPNC-UHFFFAOYSA-N 1 2 205.139 1.165 10 0 BDAELO Cc1cc(N2CC[C@@H](O)C[C@H]2C)nc[nH+]1 ZINC000631432927 372362471 /nfs/dbraw/zinc/36/24/71/372362471.db2.gz BTSLHEDCJSHFPV-NXEZZACHSA-N 1 2 207.277 1.135 10 0 BDAELO Nc1ccccc1NCCn1cc[nH+]c1 ZINC000041119297 374112561 /nfs/dbraw/zinc/11/25/61/374112561.db2.gz BXMAXYGPJAMWQP-UHFFFAOYSA-N 1 2 202.261 1.577 10 0 BDAELO Nc1cc(C[C@@H]2CCCC(=O)C2)cc[nH+]1 ZINC000070737567 374185361 /nfs/dbraw/zinc/18/53/61/374185361.db2.gz MSMCLPMQEWNDEV-VIFPVBQESA-N 1 2 204.273 1.966 10 0 BDAELO OCCCC[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000171662302 183051442 /nfs/dbraw/zinc/05/14/42/183051442.db2.gz VSBNYWDIKTYJHA-JTQLQIEISA-N 1 2 242.344 1.289 10 0 BDAELO OCCCC[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000171662302 183051447 /nfs/dbraw/zinc/05/14/47/183051447.db2.gz VSBNYWDIKTYJHA-JTQLQIEISA-N 1 2 242.344 1.289 10 0 BDAELO OC[C@@H]1CCCCN1c1[nH]c2ccccc2[nH+]1 ZINC000040431682 183116929 /nfs/dbraw/zinc/11/69/29/183116929.db2.gz LPKXKJOIILDJOJ-JTQLQIEISA-N 1 2 231.299 1.914 10 0 BDAELO OCCc1cn2cc(Br)ccc2[nH+]1 ZINC000059864452 183101349 /nfs/dbraw/zinc/10/13/49/183101349.db2.gz GOLMJRBLGNEGAB-UHFFFAOYSA-N 1 2 241.088 1.632 10 0 BDAELO O[C@@H](C[NH+]1CCOCC1)c1ccc2cc[nH]c2c1 ZINC000020287155 183178049 /nfs/dbraw/zinc/17/80/49/183178049.db2.gz OMXHAXOIJPPHCC-AWEZNQCLSA-N 1 2 246.310 1.534 10 0 BDAELO CCCN(CC(=O)N(C)C)c1ccc([NH3+])cc1C ZINC000042421042 169092488 /nfs/dbraw/zinc/09/24/88/169092488.db2.gz SJAROVCOKZLJKB-UHFFFAOYSA-N 1 2 249.358 1.882 10 0 BDAELO c1sc([C@H]2COCC[NH2+]2)nc1-c1ccncc1 ZINC000076136812 183329680 /nfs/dbraw/zinc/32/96/80/183329680.db2.gz ANMQQECSFVPNNP-SNVBAGLBSA-N 1 2 247.323 1.866 10 0 BDAELO CCC[C@@H](C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000046269729 169351375 /nfs/dbraw/zinc/35/13/75/169351375.db2.gz HPYWRJXBFOACIM-NEPJUHHUSA-N 1 2 242.363 1.260 10 0 BDAELO O=C(C[N@H+]1CCC[C@H](O)C1)c1cccc(F)c1 ZINC000050152817 383939145 /nfs/dbraw/zinc/93/91/45/383939145.db2.gz VFYLVBNMYILALL-LBPRGKRZSA-N 1 2 237.274 1.465 10 0 BDAELO O=C(C[N@@H+]1CCC[C@H](O)C1)c1cccc(F)c1 ZINC000050152817 383939153 /nfs/dbraw/zinc/93/91/53/383939153.db2.gz VFYLVBNMYILALL-LBPRGKRZSA-N 1 2 237.274 1.465 10 0 BDAELO Cc1nnc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)o1 ZINC000114482158 384037401 /nfs/dbraw/zinc/03/74/01/384037401.db2.gz WGSAYIDUCKUQMU-LLVKDONJSA-N 1 2 247.302 1.828 10 0 BDAELO Cc1nnc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)o1 ZINC000114482158 384037403 /nfs/dbraw/zinc/03/74/03/384037403.db2.gz WGSAYIDUCKUQMU-LLVKDONJSA-N 1 2 247.302 1.828 10 0 BDAELO Nc1[nH+]cnc2[nH]nc(-c3ccccc3)c21 ZINC000008581881 384204342 /nfs/dbraw/zinc/20/43/42/384204342.db2.gz JPWZTNIDHIJKIS-UHFFFAOYSA-N 1 2 211.228 1.602 10 0 BDAELO Cc1c(CNc2ccc(N(C)C)[nH+]c2)cnn1C ZINC000093649586 384256996 /nfs/dbraw/zinc/25/69/96/384256996.db2.gz SKNBFNJNCCEONI-UHFFFAOYSA-N 1 2 245.330 1.802 10 0 BDAELO COC(=O)[C@H]1CC[C@H](c2ccc(OC)cc2)C[NH2+]1 ZINC000079026539 384479357 /nfs/dbraw/zinc/47/93/57/384479357.db2.gz BKOPITCLRPWJKV-WCQYABFASA-N 1 2 249.310 1.704 10 0 BDAELO COC(=O)[C@@H]1C[C@H](c2ccccc2OC)CC[NH2+]1 ZINC000079026281 384479380 /nfs/dbraw/zinc/47/93/80/384479380.db2.gz FSCVLNFCDAEEKD-PWSUYJOCSA-N 1 2 249.310 1.704 10 0 BDAELO COC(=O)[C@H]1C[C@H](c2cccc(O)c2)CC[NH2+]1 ZINC000079026331 384479489 /nfs/dbraw/zinc/47/94/89/384479489.db2.gz GPPBYZOYSQEYOQ-ZYHUDNBSSA-N 1 2 235.283 1.401 10 0 BDAELO COC(=O)[C@@H]1CC[C@@H](c2cccc(O)c2)C[NH2+]1 ZINC000079026610 384479710 /nfs/dbraw/zinc/47/97/10/384479710.db2.gz ADHTYWZYGFDAGS-PWSUYJOCSA-N 1 2 235.283 1.401 10 0 BDAELO Cc1cnc([C@H](C)[NH2+]Cc2c(C)cnn2C)o1 ZINC000352867265 384488101 /nfs/dbraw/zinc/48/81/01/384488101.db2.gz OTWCJCKHTYUUBU-JTQLQIEISA-N 1 2 234.303 1.876 10 0 BDAELO C[C@H]1C[C@@H](O)C[N@H+](Cc2nccn2C(F)F)C1 ZINC000334746508 384565364 /nfs/dbraw/zinc/56/53/64/384565364.db2.gz QYTYDIWFFSESGJ-DTWKUNHWSA-N 1 2 245.273 1.481 10 0 BDAELO C[C@H]1C[C@@H](O)C[N@@H+](Cc2nccn2C(F)F)C1 ZINC000334746508 384565367 /nfs/dbraw/zinc/56/53/67/384565367.db2.gz QYTYDIWFFSESGJ-DTWKUNHWSA-N 1 2 245.273 1.481 10 0 BDAELO Cc1cc2nc(C3CC[NH2+]CC3)cc(=O)n2[nH]1 ZINC000259044625 384762380 /nfs/dbraw/zinc/76/23/80/384762380.db2.gz WHONMGNHBCVKDE-UHFFFAOYSA-N 1 2 232.287 1.210 10 0 BDAELO CCOC(=O)[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000259049214 384763800 /nfs/dbraw/zinc/76/38/00/384763800.db2.gz BQRQNSIFLYZHQN-NSHDSACASA-N 1 2 225.263 1.992 10 0 BDAELO O=C(C1CC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177790264 384902318 /nfs/dbraw/zinc/90/23/18/384902318.db2.gz XTVSWORESSJRDJ-LLVKDONJSA-N 1 2 219.288 1.284 10 0 BDAELO FC1(c2occc2Br)C[NH2+]C1 ZINC000156395306 385044838 /nfs/dbraw/zinc/04/48/38/385044838.db2.gz XMIJEXKDBPCTJA-UHFFFAOYSA-N 1 2 220.041 1.810 10 0 BDAELO CNc1snnc1C[NH+]1CCCCC1 ZINC000050792644 385219602 /nfs/dbraw/zinc/21/96/02/385219602.db2.gz LUWLYACWOSFQHF-UHFFFAOYSA-N 1 2 212.322 1.566 10 0 BDAELO C[C@H](Nc1nc[nH+]c(N)c1Cl)[C@H]1CCCO1 ZINC000227847103 385337579 /nfs/dbraw/zinc/33/75/79/385337579.db2.gz WQTUPNUAHXIAEZ-NKWVEPMBSA-N 1 2 242.710 1.692 10 0 BDAELO C[C@H](Nc1[nH+]cnc(N)c1Cl)[C@H]1CCCO1 ZINC000227847103 385337584 /nfs/dbraw/zinc/33/75/84/385337584.db2.gz WQTUPNUAHXIAEZ-NKWVEPMBSA-N 1 2 242.710 1.692 10 0 BDAELO COC(=O)[C@H]([NH3+])[C@@H](C)Oc1cccc(Cl)c1 ZINC000169726783 385418110 /nfs/dbraw/zinc/41/81/10/385418110.db2.gz GOSFVTKSSLGKOA-GMSGAONNSA-N 1 2 243.690 1.608 10 0 BDAELO COC(=O)[C@H]([NH3+])[C@H](C)Oc1ccc(Cl)cc1 ZINC000169726795 385418570 /nfs/dbraw/zinc/41/85/70/385418570.db2.gz FCTACNBDFVWBLA-OIBJUYFYSA-N 1 2 243.690 1.608 10 0 BDAELO Cc1cc(N2C[C@@H]3CC[C@@H](O)C[C@H]3C2)nc[nH+]1 ZINC000399115148 386415785 /nfs/dbraw/zinc/41/57/85/386415785.db2.gz XYARXJRELJENNB-SDDRHHMPSA-N 1 2 233.315 1.382 10 0 BDAELO Cc1ncsc1[C@H]([NH3+])c1csnn1 ZINC000575449894 386791254 /nfs/dbraw/zinc/79/12/54/386791254.db2.gz VCOKFKFKXDBDQS-ZCFIWIBFSA-N 1 2 212.303 1.351 10 0 BDAELO CC[C@@H](C)C[N@@H+]1CCO[C@H](c2noc(C)n2)C1 ZINC000363626080 387091718 /nfs/dbraw/zinc/09/17/18/387091718.db2.gz HDRLYPJEYIIFSS-KOLCDFICSA-N 1 2 239.319 1.797 10 0 BDAELO CC[C@@H](C)C[N@H+]1CCO[C@H](c2noc(C)n2)C1 ZINC000363626080 387091723 /nfs/dbraw/zinc/09/17/23/387091723.db2.gz HDRLYPJEYIIFSS-KOLCDFICSA-N 1 2 239.319 1.797 10 0 BDAELO COC(=O)C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000066864046 387093549 /nfs/dbraw/zinc/09/35/49/387093549.db2.gz UBFWVFWOMBCWPK-UHFFFAOYSA-N 1 2 231.295 1.949 10 0 BDAELO COC(=O)C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000066864046 387093552 /nfs/dbraw/zinc/09/35/52/387093552.db2.gz UBFWVFWOMBCWPK-UHFFFAOYSA-N 1 2 231.295 1.949 10 0 BDAELO CC[C@](C)(CCO)Nc1[nH+]cnc2c1cnn2C ZINC000177848413 387921500 /nfs/dbraw/zinc/92/15/00/387921500.db2.gz BXQSPYSUCLINPV-GFCCVEGCSA-N 1 2 249.318 1.326 10 0 BDAELO C[NH2+]Cc1noc(CSC(F)(F)F)n1 ZINC000261528755 135154362 /nfs/dbraw/zinc/15/43/62/135154362.db2.gz WEUYSOIGKWFFET-UHFFFAOYSA-N 1 2 227.211 1.542 10 0 BDAELO CCn1cc[nH+]c1C[S@@](=O)C[C@H]1CCCO1 ZINC000191632303 388666270 /nfs/dbraw/zinc/66/62/70/388666270.db2.gz VXZDBAHCOULZKP-HWPZZCPQSA-N 1 2 242.344 1.331 10 0 BDAELO Cc1cc(NCC2C[C@@H](C)O[C@H](C)C2)nc[nH+]1 ZINC000359931547 177708054 /nfs/dbraw/zinc/70/80/54/177708054.db2.gz KYIHUGZZEVWVTN-GHMZBOCLSA-N 1 2 235.331 1.822 10 0 BDAELO C[C@H]1CCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000230172699 388818786 /nfs/dbraw/zinc/81/87/86/388818786.db2.gz JQYBMPRGBNFXLI-IUCAKERBSA-N 1 2 207.277 1.462 10 0 BDAELO CC[C@@](C)(CCO)Nc1cc(C)[nH+]cn1 ZINC000230216555 388820848 /nfs/dbraw/zinc/82/08/48/388820848.db2.gz QECBJFMGFJPWNJ-NSHDSACASA-N 1 2 209.293 1.748 10 0 BDAELO C[N@@H+]1CC[C@H](c2nsc(Br)n2)C1 ZINC000575468126 388840349 /nfs/dbraw/zinc/84/03/49/388840349.db2.gz WMPDXEVGWNKSFP-YFKPBYRVSA-N 1 2 248.149 1.720 10 0 BDAELO C[N@H+]1CC[C@H](c2nsc(Br)n2)C1 ZINC000575468126 388840355 /nfs/dbraw/zinc/84/03/55/388840355.db2.gz WMPDXEVGWNKSFP-YFKPBYRVSA-N 1 2 248.149 1.720 10 0 BDAELO C[C@H](CO)[NH2+][C@@H](Cc1ccccc1)C(F)F ZINC000271282487 389019122 /nfs/dbraw/zinc/01/91/22/389019122.db2.gz QLDGNDXQVYNLNT-KOLCDFICSA-N 1 2 229.270 1.833 10 0 BDAELO C/C=C\CS(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000255049653 533459873 /nfs/dbraw/zinc/45/98/73/533459873.db2.gz JPSZFSMNWBGDOG-PLNGDYQASA-N 1 2 242.344 1.955 10 0 BDAELO 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Cc1cc([N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)ccc1N ZINC000058951537 132368591 /nfs/dbraw/zinc/36/85/91/132368591.db2.gz REMXWJSCDNOTFR-WDEREUQCSA-N 1 2 247.342 1.667 10 0 BDAELO C[C@@H](O)c1ccccc1N1CCn2cc[nH+]c2C1 ZINC000062253951 132387606 /nfs/dbraw/zinc/38/76/06/132387606.db2.gz SWZJAYKDSUUYQF-LLVKDONJSA-N 1 2 243.310 1.957 10 0 BDAELO CC(C)c1nc([C@H]2CCC[N@@H+]2CCO)no1 ZINC000177697546 134301130 /nfs/dbraw/zinc/30/11/30/134301130.db2.gz UXNSTWUGTJERKA-SECBINFHSA-N 1 2 225.292 1.322 10 0 BDAELO CC(C)c1nc([C@H]2CCC[N@H+]2CCO)no1 ZINC000177697546 134301131 /nfs/dbraw/zinc/30/11/31/134301131.db2.gz UXNSTWUGTJERKA-SECBINFHSA-N 1 2 225.292 1.322 10 0 BDAELO CCn1cc[nH+]c1Cn1nnnc1C(C)(C)C ZINC000195517527 134843265 /nfs/dbraw/zinc/84/32/65/134843265.db2.gz DKGGMPJQDYRPCI-UHFFFAOYSA-N 1 2 234.307 1.235 10 0 BDAELO CCn1cc[nH+]c1CS(=O)(=O)CC(C)C ZINC000195519842 134843269 /nfs/dbraw/zinc/84/32/69/134843269.db2.gz DRIRGTAKOMUFKH-UHFFFAOYSA-N 1 2 230.333 1.474 10 0 BDAELO C[C@@H]1C[N@H+](C[C@H]2Cc3ccccc3O2)CCC1=O ZINC000251663795 135073510 /nfs/dbraw/zinc/07/35/10/135073510.db2.gz GZYGEMHFKCKVMK-DGCLKSJQSA-N 1 2 245.322 1.901 10 0 BDAELO C[C@@H]1C[N@@H+](C[C@H]2Cc3ccccc3O2)CCC1=O ZINC000251663795 135073511 /nfs/dbraw/zinc/07/35/11/135073511.db2.gz GZYGEMHFKCKVMK-DGCLKSJQSA-N 1 2 245.322 1.901 10 0 BDAELO C[NH2+]Cc1noc(C(C2CC2)C2CC2)n1 ZINC000261537649 135175101 /nfs/dbraw/zinc/17/51/01/135175101.db2.gz VZOPRLMXCNYCNN-UHFFFAOYSA-N 1 2 207.277 1.693 10 0 BDAELO C[NH2+]Cc1noc(C[C@H]2CC[C@H](C)C2)n1 ZINC000261544209 135185192 /nfs/dbraw/zinc/18/51/92/135185192.db2.gz IOZXFPOIKZATCN-IUCAKERBSA-N 1 2 209.293 1.768 10 0 BDAELO CC(C)c1noc(C[NH2+][C@H]2CCO[C@H]2C)n1 ZINC000348111592 136037469 /nfs/dbraw/zinc/03/74/69/136037469.db2.gz AINIROAUOBENGT-IUCAKERBSA-N 1 2 225.292 1.460 10 0 BDAELO CS(=O)(=O)CC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116291704 398090074 /nfs/dbraw/zinc/09/00/74/398090074.db2.gz BIOCFIZOLOHGLE-JTQLQIEISA-N 1 2 243.328 1.461 10 0 BDAELO CS(=O)(=O)CC[N@H+]1CCC[C@H]1c1ccco1 ZINC000116291704 398090077 /nfs/dbraw/zinc/09/00/77/398090077.db2.gz BIOCFIZOLOHGLE-JTQLQIEISA-N 1 2 243.328 1.461 10 0 BDAELO CC(C)Nc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061535936 167149690 /nfs/dbraw/zinc/14/96/90/167149690.db2.gz OQSJXAYWBVGODH-UHFFFAOYSA-N 1 2 238.682 1.531 10 0 BDAELO C/C=C\C[S@](=O)Cc1[nH+]ccn1CC ZINC000255302992 322922633 /nfs/dbraw/zinc/92/26/33/322922633.db2.gz BSGQQXUUIXZWAQ-MFBWXBCUSA-N 1 2 212.318 1.728 10 0 BDAELO COCc1noc(C[N@@H+]2CCS[C@@H](C)C2)n1 ZINC000182226800 410687534 /nfs/dbraw/zinc/68/75/34/410687534.db2.gz FAQMNBHCWXAWOT-QMMMGPOBSA-N 1 2 243.332 1.153 10 0 BDAELO COCc1noc(C[N@H+]2CCS[C@@H](C)C2)n1 ZINC000182226800 410687539 /nfs/dbraw/zinc/68/75/39/410687539.db2.gz FAQMNBHCWXAWOT-QMMMGPOBSA-N 1 2 243.332 1.153 10 0 BDAELO CC(C)[NH2+][C@H]1SC=CN(C(C)C)C1=O ZINC000196293801 167141798 /nfs/dbraw/zinc/14/17/98/167141798.db2.gz PUESITSBLBCCHX-VIFPVBQESA-N 1 2 214.334 1.766 10 0 BDAELO COC(=O)N1CC[C@H](c2ccc(N)[nH+]c2)C1 ZINC000616610352 411261932 /nfs/dbraw/zinc/26/19/32/411261932.db2.gz OKSXKLJDWWUVSJ-VIFPVBQESA-N 1 2 221.260 1.220 10 0 BDAELO C[C@@H]1CCC[C@H](C)[N@H+]1[C@H]1C[NH2+]C[C@@H](C(=O)[O-])C1 ZINC000536958792 411265914 /nfs/dbraw/zinc/26/59/14/411265914.db2.gz KTNLOAQAZGOCBU-WHOHXGKFSA-N 1 2 240.347 1.312 10 0 BDAELO C[C@@H]1CCC[C@H](C)[N@@H+]1[C@H]1C[NH2+]C[C@@H](C(=O)[O-])C1 ZINC000536958792 411265917 /nfs/dbraw/zinc/26/59/17/411265917.db2.gz KTNLOAQAZGOCBU-WHOHXGKFSA-N 1 2 240.347 1.312 10 0 BDAELO CCOC(=O)c1cn(C)nc1C[NH+](CC)CC ZINC000575441614 411297766 /nfs/dbraw/zinc/29/77/66/411297766.db2.gz ZRNOWUDYBHFQRK-UHFFFAOYSA-N 1 2 239.319 1.439 10 0 BDAELO CC[NH2+]C1(C(=O)OC)Cc2ccccc2C1 ZINC000037446845 170108078 /nfs/dbraw/zinc/10/80/78/170108078.db2.gz NAFHTENIXBCOMS-UHFFFAOYSA-N 1 2 219.284 1.307 10 0 BDAELO CCNc1nc(N(CC)CC)nc(C)[nH+]1 ZINC000002012535 170175899 /nfs/dbraw/zinc/17/58/99/170175899.db2.gz BSYWKKOYFYXAHH-UHFFFAOYSA-N 1 2 209.297 1.458 10 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CCOC(=O)[C@H]([NH3+])c1ccc(OC(F)F)cc1 ZINC000037514903 170276138 /nfs/dbraw/zinc/27/61/38/170276138.db2.gz CESIMMAIJQEWNT-SECBINFHSA-N 1 2 245.225 1.851 10 0 BDAELO CCOC(=O)[C@](C)([NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000037957525 170283479 /nfs/dbraw/zinc/28/34/79/170283479.db2.gz UDKKWXGGEPKLML-WCQYABFASA-N 1 2 241.331 1.487 10 0 BDAELO CCOC(=O)c1cc2[nH+]ccn2cc1C ZINC000089202435 170294575 /nfs/dbraw/zinc/29/45/75/170294575.db2.gz JJQFIEZESQLFLF-UHFFFAOYSA-N 1 2 204.229 1.819 10 0 BDAELO CCOC(=O)c1[nH+]c(C)n([C@@H]2C[C@@H]2C)c1N ZINC000052299080 170306834 /nfs/dbraw/zinc/30/68/34/170306834.db2.gz VLWBNUYYSBEUNF-POYBYMJQSA-N 1 2 223.276 1.531 10 0 BDAELO Cc1nnc(C[N@H+]2C[C@H](O)C[C@H](C)C2)s1 ZINC000660759200 411622100 /nfs/dbraw/zinc/62/21/00/411622100.db2.gz YJKKXYSOVIFXIW-IONNQARKSA-N 1 2 227.333 1.049 10 0 BDAELO Cc1nnc(C[N@@H+]2C[C@H](O)C[C@H](C)C2)s1 ZINC000660759200 411622103 /nfs/dbraw/zinc/62/21/03/411622103.db2.gz YJKKXYSOVIFXIW-IONNQARKSA-N 1 2 227.333 1.049 10 0 BDAELO CC[C@H](C)[N@H+](C)c1ccc(N)c(C(N)=O)c1 ZINC000041046328 171310001 /nfs/dbraw/zinc/31/00/01/171310001.db2.gz OIYSYEWMUDNTFC-QMMMGPOBSA-N 1 2 221.304 1.602 10 0 BDAELO CC[C@H](C)[N@@H+](C)c1ccc(N)c(C(N)=O)c1 ZINC000041046328 171310002 /nfs/dbraw/zinc/31/00/02/171310002.db2.gz OIYSYEWMUDNTFC-QMMMGPOBSA-N 1 2 221.304 1.602 10 0 BDAELO CC(C)[C@@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000662914512 412343244 /nfs/dbraw/zinc/34/32/44/412343244.db2.gz BDYOAEVIQRNERI-VHSXEESVSA-N 1 2 246.301 1.534 10 0 BDAELO CCc1ccc(-c2[nH+]cn(N)c2N)cc1 ZINC000052838197 171779939 /nfs/dbraw/zinc/77/99/39/171779939.db2.gz ZDZZLNTVZXGEIH-UHFFFAOYSA-N 1 2 202.261 1.409 10 0 BDAELO CCc1noc([C@@H](C)[NH2+]CCn2cc(C)cn2)n1 ZINC000105881871 172088683 /nfs/dbraw/zinc/08/86/83/172088683.db2.gz FCLLLGTYNNGHTG-SNVBAGLBSA-N 1 2 249.318 1.488 10 0 BDAELO CN(C(=O)[C@@H]1CSC[NH2+]1)c1ccccc1F ZINC000050008789 172329793 /nfs/dbraw/zinc/32/97/93/172329793.db2.gz KREBBFBXIJUMJG-VIFPVBQESA-N 1 2 240.303 1.451 10 0 BDAELO CN(C)C(=O)Oc1ccn2cc[nH+]c2c1 ZINC000089201460 172382545 /nfs/dbraw/zinc/38/25/45/172382545.db2.gz CQVPYOWWQMVPLQ-UHFFFAOYSA-N 1 2 205.217 1.395 10 0 BDAELO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1cscn1 ZINC000247958794 172385970 /nfs/dbraw/zinc/38/59/70/172385970.db2.gz DONPHIAQUOKDQI-SNVBAGLBSA-N 1 2 239.344 1.196 10 0 BDAELO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1cscn1 ZINC000247958794 172385971 /nfs/dbraw/zinc/38/59/71/172385971.db2.gz DONPHIAQUOKDQI-SNVBAGLBSA-N 1 2 239.344 1.196 10 0 BDAELO C[NH2+]CC(=O)OCCc1ccc(Cl)cc1 ZINC000077341886 173334536 /nfs/dbraw/zinc/33/45/36/173334536.db2.gz QOFWIAHWHPWQNV-UHFFFAOYSA-N 1 2 227.691 1.645 10 0 BDAELO C[NH2+]CC(=O)OCCc1ccc(F)c(Cl)c1 ZINC000077400458 173334768 /nfs/dbraw/zinc/33/47/68/173334768.db2.gz RRNNQNZYXGMVFU-UHFFFAOYSA-N 1 2 245.681 1.784 10 0 BDAELO C[NH2+]CC(=O)OCc1ccc(Cl)cc1 ZINC000077306064 173335582 /nfs/dbraw/zinc/33/55/82/173335582.db2.gz LYZITAQNFODEEE-UHFFFAOYSA-N 1 2 213.664 1.603 10 0 BDAELO COCCCn1c(N)[nH+]c2c1cccc2F ZINC000037421451 174266505 /nfs/dbraw/zinc/26/65/05/174266505.db2.gz TXQFYNVVPZFTIC-UHFFFAOYSA-N 1 2 223.251 1.794 10 0 BDAELO COCC[N@@H+]1CCN(CC(F)(F)F)C[C@@H]1C ZINC000105833647 174310899 /nfs/dbraw/zinc/31/08/99/174310899.db2.gz STMCXHHXQFVEDL-VIFPVBQESA-N 1 2 240.269 1.201 10 0 BDAELO COCC[N@H+]1CCN(CC(F)(F)F)C[C@@H]1C ZINC000105833647 174310900 /nfs/dbraw/zinc/31/09/00/174310900.db2.gz STMCXHHXQFVEDL-VIFPVBQESA-N 1 2 240.269 1.201 10 0 BDAELO COCCOC1CN(c2ccc([NH3+])cc2C)C1 ZINC000095908473 174344781 /nfs/dbraw/zinc/34/47/81/174344781.db2.gz CEQZTVXLKGPOKM-UHFFFAOYSA-N 1 2 236.315 1.429 10 0 BDAELO COc1ccc(-c2nc(C[NH+](C)C)no2)c(O)c1 ZINC000091747864 175039924 /nfs/dbraw/zinc/03/99/24/175039924.db2.gz LUXVYSWTIUWBCS-UHFFFAOYSA-N 1 2 249.270 1.512 10 0 BDAELO COc1ccc(C(=O)C[NH+]2CCC(O)CC2)cc1 ZINC000050132274 175054076 /nfs/dbraw/zinc/05/40/76/175054076.db2.gz KIYKUWKXHXXOPK-UHFFFAOYSA-N 1 2 249.310 1.335 10 0 BDAELO COc1ccc(C)cc1[C@H](O)Cn1cc[nH+]c1 ZINC000041258794 175081963 /nfs/dbraw/zinc/08/19/63/175081963.db2.gz NQIIXULRAIZPCI-GFCCVEGCSA-N 1 2 232.283 1.934 10 0 BDAELO COc1ccc2c(c1)nc([C@@H]1COCC[NH2+]1)n2C ZINC000076136881 175220203 /nfs/dbraw/zinc/22/02/03/175220203.db2.gz GKTDJGXVXCWVTO-NSHDSACASA-N 1 2 247.298 1.243 10 0 BDAELO COc1cccc(C[NH+]2[C@H](C)COC[C@H]2C)n1 ZINC000172668348 175261027 /nfs/dbraw/zinc/26/10/27/175261027.db2.gz RQGBBMBTAFLQMR-GHMZBOCLSA-N 1 2 236.315 1.699 10 0 BDAELO COc1ccccc1-c1nc(C[NH2+]C2CC2)no1 ZINC000051861461 175310593 /nfs/dbraw/zinc/31/05/93/175310593.db2.gz MPAVPHPYQYOENA-UHFFFAOYSA-N 1 2 245.282 1.997 10 0 BDAELO C[C@@H]1CCC[N@H+](Cc2nnsc2N)C1 ZINC000050792433 176103593 /nfs/dbraw/zinc/10/35/93/176103593.db2.gz DNJRNSIBCCNOBP-SSDOTTSWSA-N 1 2 212.322 1.352 10 0 BDAELO C[C@@H]1CCC[N@@H+](Cc2nnsc2N)C1 ZINC000050792433 176103594 /nfs/dbraw/zinc/10/35/94/176103594.db2.gz DNJRNSIBCCNOBP-SSDOTTSWSA-N 1 2 212.322 1.352 10 0 BDAELO C[C@H](O)[C@@H]([NH3+])c1nc(Cc2ccccc2)no1 ZINC000021519753 177006948 /nfs/dbraw/zinc/00/69/48/177006948.db2.gz JQKZJRUUWPAQAZ-GZMMTYOYSA-N 1 2 233.271 1.041 10 0 BDAELO C[C@H]1CCC[C@@]2(CSC(NCC(N)=O)=[NH+]2)C1 ZINC000053098668 177128703 /nfs/dbraw/zinc/12/87/03/177128703.db2.gz TWNSPPGSOQVZJG-KWQFWETISA-N 1 2 241.360 1.113 10 0 BDAELO COC(=O)CC[N@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000151009053 323040018 /nfs/dbraw/zinc/04/00/18/323040018.db2.gz RNXFGFMTOAVTAM-SECBINFHSA-N 1 2 245.319 1.212 10 0 BDAELO COC(=O)CC[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000151009053 323040019 /nfs/dbraw/zinc/04/00/19/323040019.db2.gz RNXFGFMTOAVTAM-SECBINFHSA-N 1 2 245.319 1.212 10 0 BDAELO CCCCc1nc(C[NH2+][C@@H](C)COC)no1 ZINC000381603027 487516400 /nfs/dbraw/zinc/51/64/00/487516400.db2.gz ORKJZDAMKFTDQA-VIFPVBQESA-N 1 2 227.308 1.537 10 0 BDAELO C[C@@H]1OCC[C@@H]1[NH2+]Cc1n[nH]c2ccccc21 ZINC000677853816 488141710 /nfs/dbraw/zinc/14/17/10/488141710.db2.gz KBZAFAJYZLNQLT-ONGXEEELSA-N 1 2 231.299 1.830 10 0 BDAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC(C)(C)C)C2 ZINC000220580606 490616659 /nfs/dbraw/zinc/61/66/59/490616659.db2.gz YDYJJNQYIQTJAQ-SECBINFHSA-N 1 2 235.331 1.738 10 0 BDAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NC(C)(C)C)CC2 ZINC000220580606 490616664 /nfs/dbraw/zinc/61/66/64/490616664.db2.gz YDYJJNQYIQTJAQ-SECBINFHSA-N 1 2 235.331 1.738 10 0 BDAELO CC(C)OC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000308707140 527820043 /nfs/dbraw/zinc/82/00/43/527820043.db2.gz JEGNPFNMUBDPNH-UHFFFAOYSA-N 1 2 244.335 1.232 10 0 BDAELO CC(C)[C@H](C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000171965084 534923006 /nfs/dbraw/zinc/92/30/06/534923006.db2.gz KAQDFIBVJAKYSW-RYUDHWBXSA-N 1 2 242.363 1.115 10 0 BDAELO CCCCCNC(=O)C[NH+]1[C@@H](C)COC[C@@H]1C ZINC000077657650 535053064 /nfs/dbraw/zinc/05/30/64/535053064.db2.gz STEMKCGIFGLLLI-RYUDHWBXSA-N 1 2 242.363 1.402 10 0 BDAELO CCNc1ccc(N2CCOCC2)[nH+]c1 ZINC000037076107 535525862 /nfs/dbraw/zinc/52/58/62/535525862.db2.gz NTLSUMPRCIKUPR-UHFFFAOYSA-N 1 2 207.277 1.350 10 0 BDAELO CCc1nnc([C@@H](C)[N@@H+]2CCOC[C@@H](C)C2)o1 ZINC000407982164 535857277 /nfs/dbraw/zinc/85/72/77/535857277.db2.gz XVMJNMQFAADLRJ-VHSXEESVSA-N 1 2 239.319 1.661 10 0 BDAELO CCc1nnc([C@@H](C)[N@H+]2CCOC[C@@H](C)C2)o1 ZINC000407982164 535857280 /nfs/dbraw/zinc/85/72/80/535857280.db2.gz XVMJNMQFAADLRJ-VHSXEESVSA-N 1 2 239.319 1.661 10 0 BDAELO CCc1noc([C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](O)C2)n1 ZINC000408089479 535899365 /nfs/dbraw/zinc/89/93/65/535899365.db2.gz JGJVFOPEOJNCTC-UTLUCORTSA-N 1 2 239.319 1.396 10 0 BDAELO CCc1noc([C@H](C)[N@H+]2CC[C@@H](C)[C@@H](O)C2)n1 ZINC000408089479 535899368 /nfs/dbraw/zinc/89/93/68/535899368.db2.gz JGJVFOPEOJNCTC-UTLUCORTSA-N 1 2 239.319 1.396 10 0 BDAELO Cc1cc(NN)[nH+]c(C(Cl)(Cl)Cl)n1 ZINC000685958658 537944842 /nfs/dbraw/zinc/94/48/42/537944842.db2.gz CUHXREVULYBDDH-UHFFFAOYSA-N 1 2 241.509 1.897 10 0 BDAELO Cn1nccc1[C@@H]1CC[C@@H](C(F)F)[NH2+]1 ZINC000725256847 538059474 /nfs/dbraw/zinc/05/94/74/538059474.db2.gz BLPSIAPPDKYIMQ-BQBZGAKWSA-N 1 2 201.220 1.478 10 0 BDAELO c1coc([C@H]2CCO[C@@]3(CCOC3)[NH2+]2)c1 ZINC000757145353 582527298 /nfs/dbraw/zinc/52/72/98/582527298.db2.gz IEWJPXFQTRAGSA-MWLCHTKSSA-N 1 2 209.245 1.447 10 0 BDAELO c1cc2c(s1)CC[NH2+][C@@H]2c1c[nH]cn1 ZINC000724777002 582687225 /nfs/dbraw/zinc/68/72/25/582687225.db2.gz IKTJZPNQKNWVSQ-JTQLQIEISA-N 1 2 205.286 1.706 10 0 BDAELO CCC[C@@H](OC)c1noc([C@H]([NH3+])COC)n1 ZINC000131170962 632454453 /nfs/dbraw/zinc/45/44/53/632454453.db2.gz PICIMSUVDCMKCN-HTQZYQBOSA-N 1 2 229.280 1.203 10 0 BDAELO Cc1cc(N[C@H](C)[C@H](C)O)nc(C2CC2)[nH+]1 ZINC000309976895 632688756 /nfs/dbraw/zinc/68/87/56/632688756.db2.gz UBMVPAWKXCPESY-BDAKNGLRSA-N 1 2 221.304 1.844 10 0 BDAELO COC[C@@H](C)[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC000309443070 633079594 /nfs/dbraw/zinc/07/95/94/633079594.db2.gz JAUVMAUBOBXNML-MRVPVSSYSA-N 1 2 227.308 1.492 10 0 BDAELO CC(=O)[C@H]1CCC[N@H+](Cc2cnns2)C1 ZINC000307611411 635991122 /nfs/dbraw/zinc/99/11/22/635991122.db2.gz JKNBUBOKOSCHST-VIFPVBQESA-N 1 2 225.317 1.339 10 0 BDAELO CC(=O)[C@H]1CCC[N@@H+](Cc2cnns2)C1 ZINC000307611411 635991124 /nfs/dbraw/zinc/99/11/24/635991124.db2.gz JKNBUBOKOSCHST-VIFPVBQESA-N 1 2 225.317 1.339 10 0 BDAELO CCn1ncnc1-c1ccc(N)[nH+]c1C ZINC000308849983 633823676 /nfs/dbraw/zinc/82/36/76/633823676.db2.gz GRYWXEYLDBEPBU-UHFFFAOYSA-N 1 2 203.249 1.251 10 0 BDAELO C/C=C\C(=O)N[C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000228171127 633886464 /nfs/dbraw/zinc/88/64/64/633886464.db2.gz WFRBGRYIZSWJTE-ADAMHKFESA-N 1 2 219.288 1.669 10 0 BDAELO CC(C)(C)c1nc(C[NH2+]C(C)(C)CO)no1 ZINC000309661912 633985120 /nfs/dbraw/zinc/98/51/20/633985120.db2.gz GIYMNSARSLKUNR-UHFFFAOYSA-N 1 2 227.308 1.228 10 0 BDAELO O=C1CCCN1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000104053047 634244916 /nfs/dbraw/zinc/24/49/16/634244916.db2.gz LQYAFVSPQGPHAP-NWDGAFQWSA-N 1 2 238.331 1.210 10 0 BDAELO O=C1CCCN1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000104053047 634244923 /nfs/dbraw/zinc/24/49/23/634244923.db2.gz LQYAFVSPQGPHAP-NWDGAFQWSA-N 1 2 238.331 1.210 10 0 BDAELO CNc1cc(N[C@H](C)[C@H]2CCCO2)nc[nH+]1 ZINC000087812059 641051680 /nfs/dbraw/zinc/05/16/80/641051680.db2.gz NPPQLZQHGANXCG-RKDXNWHRSA-N 1 2 222.292 1.498 10 0 BDAELO CNc1cc(N[C@H](C)[C@H]2CCCO2)[nH+]cn1 ZINC000087812059 641051684 /nfs/dbraw/zinc/05/16/84/641051684.db2.gz NPPQLZQHGANXCG-RKDXNWHRSA-N 1 2 222.292 1.498 10 0 BDAELO COC[C@@H]([NH3+])c1nc(-c2ccsc2)no1 ZINC000088001107 641147105 /nfs/dbraw/zinc/14/71/05/641147105.db2.gz HSWJPAHJWKNDDI-SSDOTTSWSA-N 1 2 225.273 1.444 10 0 BDAELO CNc1cc(N[C@@H](C)c2ncc(C)o2)nc[nH+]1 ZINC000231761349 641198659 /nfs/dbraw/zinc/19/86/59/641198659.db2.gz ZMTXLESUFRMDTC-QMMMGPOBSA-N 1 2 233.275 1.988 10 0 BDAELO CNc1cc(N[C@@H](C)c2ncc(C)o2)[nH+]cn1 ZINC000231761349 641198664 /nfs/dbraw/zinc/19/86/64/641198664.db2.gz ZMTXLESUFRMDTC-QMMMGPOBSA-N 1 2 233.275 1.988 10 0 BDAELO CC[NH2+][C@@]1(C(=O)[O-])CC[C@H](n2cc[nH+]c2)C1 ZINC000086626574 643636523 /nfs/dbraw/zinc/63/65/23/643636523.db2.gz JBGVVWPLZWUYCR-ONGXEEELSA-N 1 2 223.276 1.041 10 0 BDAELO C[NH2+][C@]1(C(=O)[O-])CCC[C@H](n2cc[nH+]c2)C1 ZINC000086604629 644155353 /nfs/dbraw/zinc/15/53/53/644155353.db2.gz ZZNAEDTVMJWHCX-GXSJLCMTSA-N 1 2 223.276 1.041 10 0 BDAELO CC(=O)[C@@H]1CCC[N@H+](Cc2nocc2C)C1 ZINC000720373907 712836777 /nfs/dbraw/zinc/83/67/77/712836777.db2.gz NISRNISYDVVWDE-LLVKDONJSA-N 1 2 222.288 1.784 10 0 BDAELO CC(=O)[C@@H]1CCC[N@@H+](Cc2nocc2C)C1 ZINC000720373907 712836778 /nfs/dbraw/zinc/83/67/78/712836778.db2.gz NISRNISYDVVWDE-LLVKDONJSA-N 1 2 222.288 1.784 10 0 BDAELO CCOC(=O)/C=C\C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000380400437 712900488 /nfs/dbraw/zinc/90/04/88/712900488.db2.gz IPDTYMUAZHIQEX-OBOPVNRVSA-N 1 2 227.304 1.215 10 0 BDAELO C[C@H](C[NH2+]CCC(C)(C)C(=O)[O-])[NH+](C)C ZINC000395588149 972806813 /nfs/dbraw/zinc/80/68/13/972806813.db2.gz GMOQLZWMPNSMNU-SECBINFHSA-N 1 2 216.325 1.027 10 0 BDAELO C[C@H](CC[NH2+]Cc1cc(C(=O)[O-])co1)[NH+](C)C ZINC000697900877 976868161 /nfs/dbraw/zinc/86/81/61/976868161.db2.gz AEEYBKJMNRIMIA-SECBINFHSA-N 1 2 240.303 1.408 10 0 BDAELO C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCC(=O)[O-] ZINC000720890039 978075460 /nfs/dbraw/zinc/07/54/60/978075460.db2.gz RVKSXNYHKHUFPE-MNOVXSKESA-N 1 2 226.320 1.020 10 0 BDAELO C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCC(=O)[O-] ZINC000720890039 978075466 /nfs/dbraw/zinc/07/54/66/978075466.db2.gz RVKSXNYHKHUFPE-MNOVXSKESA-N 1 2 226.320 1.020 10 0 BDAELO C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC(=O)[O-] ZINC000720890039 978075471 /nfs/dbraw/zinc/07/54/71/978075471.db2.gz RVKSXNYHKHUFPE-MNOVXSKESA-N 1 2 226.320 1.020 10 0 BDAELO C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCCC(=O)[O-] ZINC000720890039 978075476 /nfs/dbraw/zinc/07/54/76/978075476.db2.gz RVKSXNYHKHUFPE-MNOVXSKESA-N 1 2 226.320 1.020 10 0 BDAELO CCCC[NH2+]CC(F)(F)C(=O)OCC ZINC000685956887 538901838 /nfs/dbraw/zinc/90/18/38/538901838.db2.gz IPKGFUSGJUDZTP-UHFFFAOYSA-N 1 2 209.236 1.575 10 0 BDAELO CC[N@H+](C[C@@H]1C[C@H]1C)CC(F)(F)CN ZINC000685957512 538904862 /nfs/dbraw/zinc/90/48/62/538904862.db2.gz ZWPKZZAQMFGUDC-BDAKNGLRSA-N 1 2 206.280 1.558 10 0 BDAELO CC[N@@H+](C[C@@H]1C[C@H]1C)CC(F)(F)CN ZINC000685957512 538904864 /nfs/dbraw/zinc/90/48/64/538904864.db2.gz ZWPKZZAQMFGUDC-BDAKNGLRSA-N 1 2 206.280 1.558 10 0 BDAELO CCC[C@H](C)[N@H+](C)CC(F)(F)CNC ZINC000685958167 538905530 /nfs/dbraw/zinc/90/55/30/538905530.db2.gz RIRQBPHALGIJML-VIFPVBQESA-N 1 2 208.296 1.962 10 0 BDAELO CCC[C@H](C)[N@@H+](C)CC(F)(F)CNC ZINC000685958167 538905531 /nfs/dbraw/zinc/90/55/31/538905531.db2.gz RIRQBPHALGIJML-VIFPVBQESA-N 1 2 208.296 1.962 10 0 BDAELO COCCC1(CC[NH2+]CC(=O)OC)CCC1 ZINC000685960788 538908176 /nfs/dbraw/zinc/90/81/76/538908176.db2.gz CJFADSSEEYFPLP-UHFFFAOYSA-N 1 2 229.320 1.346 10 0 BDAELO Cc1nc([C@H]2CCCN2c2cc[nH+]c(C)n2)no1 ZINC000408100403 136210643 /nfs/dbraw/zinc/21/06/43/136210643.db2.gz RUQZPAQFKYHNJH-SNVBAGLBSA-N 1 2 245.286 1.818 10 0 BDAELO [NH3+]c1ccc2c(c1)C[C@H](O)[C@@H](CC1CC1)N2 ZINC000685963329 538912661 /nfs/dbraw/zinc/91/26/61/538912661.db2.gz MCVSROKTSFVPQP-OLZOCXBDSA-N 1 2 218.300 1.766 10 0 BDAELO Cc1cc(C[NH2+]Cc2nnc[nH]2)cc(C)c1O ZINC000037919588 178028117 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CC[NH2+][C@@]1(C(=O)OC)CCCSC1 ZINC000061590494 170155984 /nfs/dbraw/zinc/15/59/84/170155984.db2.gz MHYIHPPYIATMJD-VIFPVBQESA-N 1 2 203.307 1.035 10 0 BDAELO CCNc1cc(CN2CCCC2=O)cc[nH+]1 ZINC000052732143 170171885 /nfs/dbraw/zinc/17/18/85/170171885.db2.gz NFYAEOGFXXHRPJ-UHFFFAOYSA-N 1 2 219.288 1.636 10 0 BDAELO CCOC(=O)C(C)(C)c1ccc(N)[nH+]c1 ZINC000095931177 170188065 /nfs/dbraw/zinc/18/80/65/170188065.db2.gz CXBGMNVPCGIEJW-UHFFFAOYSA-N 1 2 208.261 1.505 10 0 BDAELO CCOC(=O)[C@@H]([NH3+])c1ccc(OC(F)F)cc1 ZINC000037514905 170254896 /nfs/dbraw/zinc/25/48/96/170254896.db2.gz CESIMMAIJQEWNT-VIFPVBQESA-N 1 2 245.225 1.851 10 0 BDAELO CCOC(=O)[C@@](C)([NH2+]C[C@H]1CCCO1)C1CC1 ZINC000037957528 170261762 /nfs/dbraw/zinc/26/17/62/170261762.db2.gz UDKKWXGGEPKLML-YPMHNXCESA-N 1 2 241.331 1.487 10 0 BDAELO CCOC(=O)[C@@](C)([NH3+])c1cccc(O)c1 ZINC000037459901 170261951 /nfs/dbraw/zinc/26/19/51/170261951.db2.gz UZWUPAOYZQAVFH-NSHDSACASA-N 1 2 209.245 1.129 10 0 BDAELO CCOC(=O)[C@@]1([NH2+]C2CCCC2)CCSC1 ZINC000037970456 170263516 /nfs/dbraw/zinc/26/35/16/170263516.db2.gz RYINSDUTHHXTLG-GFCCVEGCSA-N 1 2 243.372 1.957 10 0 BDAELO CCOC(=O)[C@H]([NH3+])c1c(C)cccc1C ZINC000033405212 170274791 /nfs/dbraw/zinc/27/47/91/170274791.db2.gz YSYNWCRDVKDICV-LLVKDONJSA-N 1 2 207.273 1.866 10 0 BDAELO CCOC(=O)[C@H]([NH3+])CO[C@H](C)CC(C)C ZINC000045503932 170275083 /nfs/dbraw/zinc/27/50/83/170275083.db2.gz VGKZKFFVTAHSLJ-NXEZZACHSA-N 1 2 217.309 1.328 10 0 BDAELO CCOC(=O)[C@H]([NH3+])c1ccc(C)c(C)c1 ZINC000037459931 170276949 /nfs/dbraw/zinc/27/69/49/170276949.db2.gz PDAAPSDYYSBRDY-LLVKDONJSA-N 1 2 207.273 1.866 10 0 BDAELO CCOC(=O)[C@](C)([NH3+])c1cc(F)ccc1F ZINC000037459877 170283625 /nfs/dbraw/zinc/28/36/25/170283625.db2.gz KQSLGPJDOUKRMX-LLVKDONJSA-N 1 2 229.226 1.702 10 0 BDAELO CCOC(=O)[C@](C)([NH3+])c1ccc(O)cc1 ZINC000037459896 170284380 /nfs/dbraw/zinc/28/43/80/170284380.db2.gz CIEGSFRKMZCXRK-LLVKDONJSA-N 1 2 209.245 1.129 10 0 BDAELO CCOC(=O)[C@]1([NH3+])CCOc2ccccc21 ZINC000037459835 170285899 /nfs/dbraw/zinc/28/58/99/170285899.db2.gz VUWYCWMKYYXJKN-LBPRGKRZSA-N 1 2 221.256 1.186 10 0 BDAELO CCOC(=O)c1ccc(-n2c[nH+]c(N)c2)cc1 ZINC000032918370 170294528 /nfs/dbraw/zinc/29/45/28/170294528.db2.gz WWQMVFFWFQZGSN-UHFFFAOYSA-N 1 2 231.255 1.631 10 0 BDAELO CCOCC[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000121714255 170398328 /nfs/dbraw/zinc/39/83/28/170398328.db2.gz HGZKZFRVENZRNV-JTQLQIEISA-N 1 2 224.308 1.368 10 0 BDAELO CCOCC[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000121714255 170398329 /nfs/dbraw/zinc/39/83/29/170398329.db2.gz HGZKZFRVENZRNV-JTQLQIEISA-N 1 2 224.308 1.368 10 0 BDAELO CCOC(=O)N1CCC[C@H](c2ccc(N)[nH+]c2)C1 ZINC000616617633 411862690 /nfs/dbraw/zinc/86/26/90/411862690.db2.gz YXLHGQHCMUZDKE-NSHDSACASA-N 1 2 249.314 2.000 10 0 BDAELO COC(=O)N1CCCC[C@@H](c2ccc(N)[nH+]c2)C1 ZINC000616652991 411909763 /nfs/dbraw/zinc/90/97/63/411909763.db2.gz MFJUUSDKUJQFNB-LLVKDONJSA-N 1 2 249.314 2.000 10 0 BDAELO NC(=O)N1CCCCC[C@@H]1c1ccc(N)[nH+]c1 ZINC000616606141 411976147 /nfs/dbraw/zinc/97/61/47/411976147.db2.gz ZTTPHAAWVNVEEU-SNVBAGLBSA-N 1 2 234.303 1.660 10 0 BDAELO CC[C@@](C)(O)C[N@H+](C)Cc1nnc(C)s1 ZINC000662255200 412052163 /nfs/dbraw/zinc/05/21/63/412052163.db2.gz ASSJIRIKCXTLTF-SNVBAGLBSA-N 1 2 229.349 1.439 10 0 BDAELO CC[C@@](C)(O)C[N@@H+](C)Cc1nnc(C)s1 ZINC000662255200 412052164 /nfs/dbraw/zinc/05/21/64/412052164.db2.gz ASSJIRIKCXTLTF-SNVBAGLBSA-N 1 2 229.349 1.439 10 0 BDAELO CC[C@@]1(c2ccc(Cl)cc2)[NH2+]CCNC1=O ZINC000051925172 171216319 /nfs/dbraw/zinc/21/63/19/171216319.db2.gz QXNUBNPIOZGFDD-LBPRGKRZSA-N 1 2 238.718 1.665 10 0 BDAELO CC[C@@H](C)CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000662626936 412244947 /nfs/dbraw/zinc/24/49/47/412244947.db2.gz NNTHTCPULFIJTL-RKDXNWHRSA-N 1 2 234.290 1.536 10 0 BDAELO CCc1nnc(CSc2ccc(N)[nH+]c2)o1 ZINC000037192589 172055756 /nfs/dbraw/zinc/05/57/56/172055756.db2.gz JBQYJTQDXPJVLS-UHFFFAOYSA-N 1 2 236.300 1.902 10 0 BDAELO CCn1cc[nH+]c1Cn1nc(C)c(C=O)c1C ZINC000054743851 172226552 /nfs/dbraw/zinc/22/65/52/172226552.db2.gz XUXHXLQBYPBFIE-UHFFFAOYSA-N 1 2 232.287 1.577 10 0 BDAELO CCn1ccnc1[C@@H]([NH2+]C)c1cscn1 ZINC000062361839 172229078 /nfs/dbraw/zinc/22/90/78/172229078.db2.gz NZQMMFORLSYQFN-VIFPVBQESA-N 1 2 222.317 1.668 10 0 BDAELO CNC(=O)C[N@H+](C)Cc1cc(N)ccc1Cl ZINC000037269586 173270578 /nfs/dbraw/zinc/27/05/78/173270578.db2.gz WVPNUPWKZHRXCM-UHFFFAOYSA-N 1 2 241.722 1.100 10 0 BDAELO CNC(=O)C[N@@H+](C)Cc1cc(N)ccc1Cl ZINC000037269586 173270581 /nfs/dbraw/zinc/27/05/81/173270581.db2.gz WVPNUPWKZHRXCM-UHFFFAOYSA-N 1 2 241.722 1.100 10 0 BDAELO C[NH2+]CC(=O)O[C@@H]1CCCc2ccccc21 ZINC000048638249 173334650 /nfs/dbraw/zinc/33/46/50/173334650.db2.gz GDSILINXHQLPQA-GFCCVEGCSA-N 1 2 219.284 1.827 10 0 BDAELO C[NH2+]CC(=O)OCc1ccc(SC)cc1 ZINC000077338924 173335453 /nfs/dbraw/zinc/33/54/53/173335453.db2.gz CUNDHWYGLLCADB-UHFFFAOYSA-N 1 2 225.313 1.671 10 0 BDAELO COC(=O)[C@H]([NH3+])c1ccc(SC)cc1 ZINC000037459736 173800206 /nfs/dbraw/zinc/80/02/06/173800206.db2.gz SSDMEJKAIIESFD-SECBINFHSA-N 1 2 211.286 1.581 10 0 BDAELO COc1ccc(NCc2c[nH+]c[nH]2)cc1O ZINC000054764896 175151341 /nfs/dbraw/zinc/15/13/41/175151341.db2.gz GTXKFTOCLUQDIT-UHFFFAOYSA-N 1 2 219.244 1.736 10 0 BDAELO COc1ccc(NCc2c[nH]c[nH+]2)cc1O ZINC000054764896 175151343 /nfs/dbraw/zinc/15/13/43/175151343.db2.gz GTXKFTOCLUQDIT-UHFFFAOYSA-N 1 2 219.244 1.736 10 0 BDAELO COc1ccc(NCc2[nH]c[nH+]c2C)cn1 ZINC000054793444 175151717 /nfs/dbraw/zinc/15/17/17/175151717.db2.gz MYUWYOXNOAIUPE-UHFFFAOYSA-N 1 2 218.260 1.734 10 0 BDAELO COc1ccc([C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000019784991 175180773 /nfs/dbraw/zinc/18/07/73/175180773.db2.gz QRDRQEQSGVNQTG-ZDUSSCGKSA-N 1 2 237.299 1.061 10 0 BDAELO COc1cccc(F)c1[C@H]1COCC[NH2+]1 ZINC000076136556 175275271 /nfs/dbraw/zinc/27/52/71/175275271.db2.gz IYCQEBSDRCUFHC-SECBINFHSA-N 1 2 211.236 1.495 10 0 BDAELO COc1cccc([C@H]([NH3+])c2noc(C)n2)c1OC ZINC000036762494 175295319 /nfs/dbraw/zinc/29/53/19/175295319.db2.gz SBYXWFHOLQJOLS-JTQLQIEISA-N 1 2 249.270 1.443 10 0 BDAELO C[C@@H](c1cccc(N)c1)[NH+]1CCS(=O)CC1 ZINC000049691320 176017766 /nfs/dbraw/zinc/01/77/66/176017766.db2.gz HNUULGDPKDNRHE-JTQLQIEISA-N 1 2 238.356 1.394 10 0 BDAELO C[C@H](O)[C@@H]([NH3+])c1nc2ccc(F)cc2[nH]1 ZINC000037439130 177006822 /nfs/dbraw/zinc/00/68/22/177006822.db2.gz GEGRXJCHPYUGES-SSDLBLMSSA-N 1 2 209.224 1.083 10 0 BDAELO C[C@H]1CCOCCN1c1nc[nH+]c(N)c1Cl ZINC000302858159 177176889 /nfs/dbraw/zinc/17/68/89/177176889.db2.gz SWRNQMQUSHTMDY-ZETCQYMHSA-N 1 2 242.710 1.327 10 0 BDAELO C[C@H]1C[N@H+](CC(=O)c2cccn2C)CCS1 ZINC000122518404 177245176 /nfs/dbraw/zinc/24/51/76/177245176.db2.gz JCUUJSPAMCDAKI-JTQLQIEISA-N 1 2 238.356 1.645 10 0 BDAELO C[C@H]1C[N@@H+](CC(=O)c2cccn2C)CCS1 ZINC000122518404 177245178 /nfs/dbraw/zinc/24/51/78/177245178.db2.gz JCUUJSPAMCDAKI-JTQLQIEISA-N 1 2 238.356 1.645 10 0 BDAELO C[C@@H](O)C[N@@H+]1CCN(CC(C)(C)C)C[C@@H]1C ZINC000120667489 177245193 /nfs/dbraw/zinc/24/51/93/177245193.db2.gz JTBCLQSGEZURCS-NWDGAFQWSA-N 1 2 228.380 1.419 10 0 BDAELO C[C@@H](O)C[N@H+]1CCN(CC(C)(C)C)C[C@@H]1C ZINC000120667489 177245195 /nfs/dbraw/zinc/24/51/95/177245195.db2.gz JTBCLQSGEZURCS-NWDGAFQWSA-N 1 2 228.380 1.419 10 0 BDAELO O[C@@H]1CCC[C@H](C[N@@H+]2CCC(F)(F)C2)C1 ZINC000313249373 487638982 /nfs/dbraw/zinc/63/89/82/487638982.db2.gz IGEZGGYQJIWARP-VHSXEESVSA-N 1 2 219.275 1.879 10 0 BDAELO O[C@@H]1CCC[C@H](C[N@H+]2CCC(F)(F)C2)C1 ZINC000313249373 487638989 /nfs/dbraw/zinc/63/89/89/487638989.db2.gz IGEZGGYQJIWARP-VHSXEESVSA-N 1 2 219.275 1.879 10 0 BDAELO OC1(C[N@@H+]2CCO[C@@H](C(F)(F)F)C2)CCC1 ZINC000675124879 487671350 /nfs/dbraw/zinc/67/13/50/487671350.db2.gz JHEGPGYDSNTETG-MRVPVSSYSA-N 1 2 239.237 1.165 10 0 BDAELO OC1(C[N@H+]2CCO[C@@H](C(F)(F)F)C2)CCC1 ZINC000675124879 487671354 /nfs/dbraw/zinc/67/13/54/487671354.db2.gz JHEGPGYDSNTETG-MRVPVSSYSA-N 1 2 239.237 1.165 10 0 BDAELO COc1ncccc1C[NH+]1[C@H](C)COC[C@H]1C ZINC000193356172 324201408 /nfs/dbraw/zinc/20/14/08/324201408.db2.gz IWELLGSLFIYOMU-GHMZBOCLSA-N 1 2 236.315 1.699 10 0 BDAELO C[C@H]([NH2+]CC(=O)OC(C)(C)C)[C@@H]1CCCO1 ZINC000037408621 324568704 /nfs/dbraw/zinc/56/87/04/324568704.db2.gz FLVYIVRFDFJFPQ-UWVGGRQHSA-N 1 2 229.320 1.485 10 0 BDAELO COc1ccc2[nH]cc(C(=[NH2+])NO)c2c1 ZINC000135946847 491062701 /nfs/dbraw/zinc/06/27/01/491062701.db2.gz GYTHRZQFEDFFJI-CSKARUKUSA-N 1 2 205.217 1.017 10 0 BDAELO CC[C@H]([NH2+]C)c1ncc(Br)c(=O)[nH]1 ZINC000757122608 582497582 /nfs/dbraw/zinc/49/75/82/582497582.db2.gz RBDNUPVBQWQTKR-LURJTMIESA-N 1 2 246.108 1.615 10 0 BDAELO CC(=O)c1cc(C)nc(-n2cc[nH+]c2)n1 ZINC000040435064 517365174 /nfs/dbraw/zinc/36/51/74/517365174.db2.gz UUOINQWQJBVQTM-UHFFFAOYSA-N 1 2 202.217 1.173 10 0 BDAELO CCCCOC(=O)C[NH2+]C[C@H]1CCCOC1 ZINC000038045641 520713625 /nfs/dbraw/zinc/71/36/25/520713625.db2.gz SSQURKZGWJKLPB-LLVKDONJSA-N 1 2 229.320 1.346 10 0 BDAELO C[NH+](C)[C@@H](C(N)=O)c1cc(F)c(F)c(F)c1 ZINC000095532595 522009217 /nfs/dbraw/zinc/00/92/17/522009217.db2.gz SZJVPWCLUVBGDH-SECBINFHSA-N 1 2 232.205 1.192 10 0 BDAELO C[NH+](C)[C@H](C(N)=O)c1ccc(Cl)c(F)c1 ZINC000095532638 522069865 /nfs/dbraw/zinc/06/98/65/522069865.db2.gz AHTRDGLVOBWAEM-VIFPVBQESA-N 1 2 230.670 1.567 10 0 BDAELO CCc1noc([C@H](C)[N@@H+]2CC[C@H](C)[C@@H](O)C2)n1 ZINC000408089477 535898566 /nfs/dbraw/zinc/89/85/66/535898566.db2.gz JGJVFOPEOJNCTC-GUBZILKMSA-N 1 2 239.319 1.396 10 0 BDAELO CCc1noc([C@H](C)[N@H+]2CC[C@H](C)[C@@H](O)C2)n1 ZINC000408089477 535898572 /nfs/dbraw/zinc/89/85/72/535898572.db2.gz JGJVFOPEOJNCTC-GUBZILKMSA-N 1 2 239.319 1.396 10 0 BDAELO O=C(N=S1(=O)CC[NH2+]CC1)C1CCCCC1 ZINC000712170037 566258795 /nfs/dbraw/zinc/25/87/95/566258795.db2.gz VJKYQSDWDCRSSW-UHFFFAOYSA-N 1 2 244.360 1.165 10 0 BDAELO CN1CCc2cc([NH2+]CCOCCO)ccc21 ZINC000757128252 582502957 /nfs/dbraw/zinc/50/29/57/582502957.db2.gz JSRMWEDDBGSDSS-UHFFFAOYSA-N 1 2 236.315 1.100 10 0 BDAELO CN1CCc2cc([NH2+]C[C@H](O)C3CC3)ccc21 ZINC000757129623 582504108 /nfs/dbraw/zinc/50/41/08/582504108.db2.gz MMWIDVCGFFACHB-AWEZNQCLSA-N 1 2 232.327 1.862 10 0 BDAELO Fc1ccccc1[C@@H]1CCO[C@@]2(CCOC2)[NH2+]1 ZINC000757141462 582521899 /nfs/dbraw/zinc/52/18/99/582521899.db2.gz AEYPGWGEWJMYFB-QWHCGFSZSA-N 1 2 237.274 1.993 10 0 BDAELO C[C@@H]1C[N@H+](C)CCN1c1ccc(C=O)o1 ZINC000235304809 582555673 /nfs/dbraw/zinc/55/56/73/582555673.db2.gz DCVSQQKKQVEYQA-SECBINFHSA-N 1 2 208.261 1.232 10 0 BDAELO C[C@@H]1C[N@@H+](C)CCN1c1ccc(C=O)o1 ZINC000235304809 582555676 /nfs/dbraw/zinc/55/56/76/582555676.db2.gz DCVSQQKKQVEYQA-SECBINFHSA-N 1 2 208.261 1.232 10 0 BDAELO CCCCOC(=O)C[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000104411719 582793316 /nfs/dbraw/zinc/79/33/16/582793316.db2.gz PFWLYYDPLGWNEM-LBPRGKRZSA-N 1 2 241.331 1.631 10 0 BDAELO CCCCOC(=O)C[N@H+]1CCC[C@H](C(C)=O)C1 ZINC000104411719 582793319 /nfs/dbraw/zinc/79/33/19/582793319.db2.gz PFWLYYDPLGWNEM-LBPRGKRZSA-N 1 2 241.331 1.631 10 0 BDAELO CO[C@@H]1C[C@H](c2[nH]cc[nH+]2)N(Cc2ccon2)C1 ZINC000888079199 582836751 /nfs/dbraw/zinc/83/67/51/582836751.db2.gz KHISVCZRAJJODY-GHMZBOCLSA-N 1 2 248.286 1.360 10 0 BDAELO C[C@H](O)c1cccc(NC[C@@H](O)C(C)(C)C)[nH+]1 ZINC000892501695 582899224 /nfs/dbraw/zinc/89/92/24/582899224.db2.gz KIIMBGVOADUIJD-GXSJLCMTSA-N 1 2 238.331 1.954 10 0 BDAELO CCc1cc(N[C@H]2CCC(=O)N[C@@H]2C)nc[nH+]1 ZINC000393092786 582910925 /nfs/dbraw/zinc/91/09/25/582910925.db2.gz MDQWYZAZYLTSEW-SCZZXKLOSA-N 1 2 234.303 1.118 10 0 BDAELO C[C@@H]1CC[NH2+][C@@H](c2cccc(C(=O)[O-])c2)[C@@H]1[NH3+] ZINC000757219979 586442183 /nfs/dbraw/zinc/44/21/83/586442183.db2.gz ZNIPGERIBYLYKG-FXAINCCUSA-N 1 2 234.299 1.383 10 0 BDAELO CCc1[nH+]ccn1-c1ncc(C=O)cn1 ZINC000126434732 590303273 /nfs/dbraw/zinc/30/32/73/590303273.db2.gz FQIXDYRFJNGXEI-UHFFFAOYSA-N 1 2 202.217 1.037 10 0 BDAELO CC[NH2+]Cc1noc(CCOc2ccccc2)n1 ZINC000051860514 631972346 /nfs/dbraw/zinc/97/23/46/631972346.db2.gz LGONHORYTAEFAR-UHFFFAOYSA-N 1 2 247.298 1.801 10 0 BDAELO CC[NH2+][C@](C)(CCCn1cc[nH+]c1)C(=O)[O-] ZINC000045432170 640556482 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Cc1ncsc1[C@H]([NH3+])c1cnsn1 ZINC000575470971 388849327 /nfs/dbraw/zinc/84/93/27/388849327.db2.gz UVXZNNMNBSVHFT-ZCFIWIBFSA-N 1 2 212.303 1.351 10 0 BDAELO Nc1ccc(N2CCN(CC(F)F)CC2)[nH+]c1 ZINC000037756136 132345243 /nfs/dbraw/zinc/34/52/43/132345243.db2.gz SGBRBUZCDUYMRA-UHFFFAOYSA-N 1 2 242.273 1.051 10 0 BDAELO Cc1ccc(N2CCCC[C@H]2CO)[nH+]c1 ZINC000040452797 132347920 /nfs/dbraw/zinc/34/79/20/132347920.db2.gz QIYWINBIMULNKB-NSHDSACASA-N 1 2 206.289 1.741 10 0 BDAELO CCCc1cc(N2CCC(=O)CC2)nc[nH+]1 ZINC000040765493 132296625 /nfs/dbraw/zinc/29/66/25/132296625.db2.gz VLAKMSDMVPVVMX-UHFFFAOYSA-N 1 2 219.288 1.598 10 0 BDAELO O=C1CC[C@@H]([NH+]2CCN(c3ccccc3)CC2)N1 ZINC000033610461 132336270 /nfs/dbraw/zinc/33/62/70/132336270.db2.gz JAYSDEBWXVXRSO-CYBMUJFWSA-N 1 2 245.326 1.045 10 0 BDAELO CCOc1cc(N2CCOCC2)cc[nH+]1 ZINC000045805754 132354959 /nfs/dbraw/zinc/35/49/59/132354959.db2.gz DPFRUWZSYAQDHT-UHFFFAOYSA-N 1 2 208.261 1.317 10 0 BDAELO [NH3+]c1ccc2c(c1)CCCN2CCn1cccn1 ZINC000049314784 132355885 /nfs/dbraw/zinc/35/58/85/132355885.db2.gz TZSBUJSJHIDXJO-UHFFFAOYSA-N 1 2 242.326 1.918 10 0 BDAELO Cc1cc(N)ccc1[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000058951536 132368568 /nfs/dbraw/zinc/36/85/68/132368568.db2.gz BIGSVXSZYLYVQA-QWRGUYRKSA-N 1 2 247.342 1.667 10 0 BDAELO Cc1cc(N)ccc1[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000058951536 132368569 /nfs/dbraw/zinc/36/85/69/132368569.db2.gz BIGSVXSZYLYVQA-QWRGUYRKSA-N 1 2 247.342 1.667 10 0 BDAELO Cc1c(N)cccc1[N@@H+]1CCC[C@H](CO)C1 ZINC000062724768 132388301 /nfs/dbraw/zinc/38/83/01/132388301.db2.gz XFXIKPVDDMBASF-NSHDSACASA-N 1 2 220.316 1.786 10 0 BDAELO Cc1c(N)cccc1[N@H+]1CCC[C@H](CO)C1 ZINC000062724768 132388302 /nfs/dbraw/zinc/38/83/02/132388302.db2.gz XFXIKPVDDMBASF-NSHDSACASA-N 1 2 220.316 1.786 10 0 BDAELO O=C1C[NH2+]CCN1c1cccc(C(F)(F)F)c1 ZINC000071558715 132394298 /nfs/dbraw/zinc/39/42/98/132394298.db2.gz YNFOSHGGKRNSOA-UHFFFAOYSA-N 1 2 244.216 1.642 10 0 BDAELO C[C@@H]1CC[C@@H](NC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000336173322 134116113 /nfs/dbraw/zinc/11/61/13/134116113.db2.gz NEGVXLIRPZEKLZ-GHMZBOCLSA-N 1 2 248.330 1.597 10 0 BDAELO CCc1nnc(C[NH2+][C@@H](C)c2ccccn2)n1C ZINC000181788416 134339404 /nfs/dbraw/zinc/33/94/04/134339404.db2.gz MRZDCHGLGXHMSB-JTQLQIEISA-N 1 2 245.330 1.623 10 0 BDAELO Cc1ncc(C(=O)Nc2ccc(N)[nH+]c2)s1 ZINC000226243291 134361839 /nfs/dbraw/zinc/36/18/39/134361839.db2.gz WKFRRZJJOLPBQA-UHFFFAOYSA-N 1 2 234.284 1.681 10 0 BDAELO CC(C)C[C@H](C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000184716291 134368824 /nfs/dbraw/zinc/36/88/24/134368824.db2.gz KMVAPRBRZLLSNG-RYUDHWBXSA-N 1 2 242.363 1.115 10 0 BDAELO CC(C)C[C@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000184716291 134368825 /nfs/dbraw/zinc/36/88/25/134368825.db2.gz KMVAPRBRZLLSNG-RYUDHWBXSA-N 1 2 242.363 1.115 10 0 BDAELO Cc1nc(N2CCCN(C)C(=O)C2)c(C)c(C)[nH+]1 ZINC000191865046 134579298 /nfs/dbraw/zinc/57/92/98/134579298.db2.gz GZZMEDNQXUTRDS-UHFFFAOYSA-N 1 2 248.330 1.070 10 0 BDAELO CO[C@H](C)C[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000248420112 135008467 /nfs/dbraw/zinc/00/84/67/135008467.db2.gz LNPPLIPONAHWLX-NXEZZACHSA-N 1 2 242.344 1.551 10 0 BDAELO CO[C@H](C)C[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000248420112 135008468 /nfs/dbraw/zinc/00/84/68/135008468.db2.gz LNPPLIPONAHWLX-NXEZZACHSA-N 1 2 242.344 1.551 10 0 BDAELO C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)NC1CCCC1 ZINC000077369709 135062589 /nfs/dbraw/zinc/06/25/89/135062589.db2.gz QYAFDWYAZOMDHG-PHIMTYICSA-N 1 2 240.347 1.154 10 0 BDAELO C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)NC1CCCC1 ZINC000077369709 135062592 /nfs/dbraw/zinc/06/25/92/135062592.db2.gz QYAFDWYAZOMDHG-PHIMTYICSA-N 1 2 240.347 1.154 10 0 BDAELO OC1(C2CC2)C[NH+](Cc2ccncc2)C1 ZINC000084376988 135214687 /nfs/dbraw/zinc/21/46/87/135214687.db2.gz KIOJBRVEDYQDIO-UHFFFAOYSA-N 1 2 204.273 1.038 10 0 BDAELO O=S1(=O)CCC[C@@H](C[N@H+]2CCC[C@@H]2CF)C1 ZINC000335367573 136082120 /nfs/dbraw/zinc/08/21/20/136082120.db2.gz FIQUBLOGLXLBLZ-WDEREUQCSA-N 1 2 249.351 1.245 10 0 BDAELO O=S1(=O)CCC[C@@H](C[N@@H+]2CCC[C@@H]2CF)C1 ZINC000335367573 136082121 /nfs/dbraw/zinc/08/21/21/136082121.db2.gz FIQUBLOGLXLBLZ-WDEREUQCSA-N 1 2 249.351 1.245 10 0 BDAELO CC(C)c1nc(N[C@H]2CCC[C@H]2O)cc[nH+]1 ZINC000301337661 397788200 /nfs/dbraw/zinc/78/82/00/397788200.db2.gz CWPOXTXYNIDLSD-VHSXEESVSA-N 1 2 221.304 1.925 10 0 BDAELO C[NH2+][C@]1(C(=O)OC)CCc2ccccc2C1 ZINC000037460397 409739471 /nfs/dbraw/zinc/73/94/71/409739471.db2.gz IGPPEWGMYKYLHT-CYBMUJFWSA-N 1 2 219.284 1.307 10 0 BDAELO CC(C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC000299554394 167151332 /nfs/dbraw/zinc/15/13/32/167151332.db2.gz CATQKEAGDXHIAS-UHFFFAOYSA-N 1 2 206.293 1.285 10 0 BDAELO CC(C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000299554394 167151334 /nfs/dbraw/zinc/15/13/34/167151334.db2.gz CATQKEAGDXHIAS-UHFFFAOYSA-N 1 2 206.293 1.285 10 0 BDAELO C[C@@H]([NH2+]Cc1cnn[nH]1)c1cc(F)ccc1F ZINC000398280873 410955338 /nfs/dbraw/zinc/95/53/38/410955338.db2.gz DNKNIZJYZNPZSZ-SSDOTTSWSA-N 1 2 238.241 1.934 10 0 BDAELO CCNC(=O)CN(C)c1ccc([NH3+])cc1C ZINC000049726814 170055111 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CO[C@@H]1C[C@@H](c2ncc[nH]2)[N@H+](Cc2cc[nH]c2)C1 ZINC000888079287 582836727 /nfs/dbraw/zinc/83/67/27/582836727.db2.gz SVTBKMFWFKGCCT-NEPJUHHUSA-N 1 2 246.314 1.700 10 0 BDAELO CO[C@@H]1C[C@@H](c2ncc[nH]2)[N@@H+](Cc2cc[nH]c2)C1 ZINC000888079287 582836730 /nfs/dbraw/zinc/83/67/30/582836730.db2.gz SVTBKMFWFKGCCT-NEPJUHHUSA-N 1 2 246.314 1.700 10 0 BDAELO Cc1nn(Cc2cc[nH+]cc2C)cc1N ZINC000707821345 582968672 /nfs/dbraw/zinc/96/86/72/582968672.db2.gz DUVNNTMKEXFOPY-UHFFFAOYSA-N 1 2 202.261 1.525 10 0 BDAELO c1coc([C@H]2CCO[C@]3(C[NH+]4CCC3CC4)N2)c1 ZINC000757154143 586429557 /nfs/dbraw/zinc/42/95/57/586429557.db2.gz YYYDIIMAWZFTGM-OCCSQVGLSA-N 1 2 248.326 1.753 10 0 BDAELO O=C(N[C@@H]1CCC[C@@H]1n1cc[nH+]c1)c1cn[nH]c1 ZINC000040444686 633786576 /nfs/dbraw/zinc/78/65/76/633786576.db2.gz FBFKQAOLSKEWNV-MNOVXSKESA-N 1 2 245.286 1.130 10 0 BDAELO COC(=O)[C@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC000250835096 635701312 /nfs/dbraw/zinc/70/13/12/635701312.db2.gz JQFSYHNSQUNSQC-SCZZXKLOSA-N 1 2 235.287 1.030 10 0 BDAELO CCc1[nH+]ccn1-c1ncc(C=O)cc1C ZINC000087718035 640990291 /nfs/dbraw/zinc/99/02/91/640990291.db2.gz ODXNYSYSMZGTLN-UHFFFAOYSA-N 1 2 215.256 1.951 10 0 BDAELO CC[C@@H](C)c1noc(C[NH2+]CCOC)n1 ZINC000082583319 643514211 /nfs/dbraw/zinc/51/42/11/643514211.db2.gz WLWIGWUVWDVACX-MRVPVSSYSA-N 1 2 213.281 1.319 10 0 BDAELO CCc1[nH+]ccn1-c1ncccc1C=O ZINC000234157730 643544018 /nfs/dbraw/zinc/54/40/18/643544018.db2.gz PKVWPPVVCGKNHV-UHFFFAOYSA-N 1 2 201.229 1.642 10 0 BDAELO C[C@@H]1CCC(=O)C[N@H+]1CC[C@H]1CCCO1 ZINC000725643623 711668497 /nfs/dbraw/zinc/66/84/97/711668497.db2.gz ARAISQUTDRUAMK-ZYHUDNBSSA-N 1 2 211.305 1.609 10 0 BDAELO C[C@@H]1CCC(=O)C[N@@H+]1CC[C@H]1CCCO1 ZINC000725643623 711668496 /nfs/dbraw/zinc/66/84/96/711668496.db2.gz ARAISQUTDRUAMK-ZYHUDNBSSA-N 1 2 211.305 1.609 10 0 BDAELO CC(=O)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000707725046 712176730 /nfs/dbraw/zinc/17/67/30/712176730.db2.gz MXQNGVLHXIYWIY-GFCCVEGCSA-N 1 2 249.314 1.101 10 0 BDAELO COCC1CC([NH2+][C@@H](C)C(=O)OC(C)(C)C)C1 ZINC000713951427 712474700 /nfs/dbraw/zinc/47/47/00/712474700.db2.gz AMMXJYKBOQRFFR-WHXUTIOJSA-N 1 2 243.347 1.731 10 0 BDAELO COc1ccccc1C[NH2+][C@H](C)c1cn(C)nn1 ZINC000715852565 712536621 /nfs/dbraw/zinc/53/66/21/712536621.db2.gz QNUGSKYZGPELNS-SNVBAGLBSA-N 1 2 246.314 1.675 10 0 BDAELO C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC(=O)[O-] ZINC000720890042 978075010 /nfs/dbraw/zinc/07/50/10/978075010.db2.gz RVKSXNYHKHUFPE-WDEREUQCSA-N 1 2 226.320 1.020 10 0 BDAELO C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC(=O)[O-] ZINC000720890042 978075013 /nfs/dbraw/zinc/07/50/13/978075013.db2.gz RVKSXNYHKHUFPE-WDEREUQCSA-N 1 2 226.320 1.020 10 0 BDAELO C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC(=O)[O-] ZINC000720890042 978075022 /nfs/dbraw/zinc/07/50/22/978075022.db2.gz RVKSXNYHKHUFPE-WDEREUQCSA-N 1 2 226.320 1.020 10 0 BDAELO C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCC(=O)[O-] ZINC000720890042 978075035 /nfs/dbraw/zinc/07/50/35/978075035.db2.gz RVKSXNYHKHUFPE-WDEREUQCSA-N 1 2 226.320 1.020 10 0 BDAELO C[C@H](C(=O)[O-])[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000382994587 951233000 /nfs/dbraw/zinc/23/30/00/951233000.db2.gz ZOCXTKUPPROITG-SNVBAGLBSA-N 1 2 237.303 1.211 10 0 BDAELO C[C@H](C(=O)[O-])[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000382994587 951233012 /nfs/dbraw/zinc/23/30/12/951233012.db2.gz ZOCXTKUPPROITG-SNVBAGLBSA-N 1 2 237.303 1.211 10 0 BDAELO C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000383021268 971844466 /nfs/dbraw/zinc/84/44/66/971844466.db2.gz QGTCGSGMERYLST-VIFPVBQESA-N 1 2 222.288 1.164 10 0 BDAELO C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000383021268 971844471 /nfs/dbraw/zinc/84/44/71/971844471.db2.gz QGTCGSGMERYLST-VIFPVBQESA-N 1 2 222.288 1.164 10 0 BDAELO CN(CC(F)(F)C[NH2+]C1CC1)C1CC1 ZINC000685956808 538900941 /nfs/dbraw/zinc/90/09/41/538900941.db2.gz KEVCXAFDVJLZPJ-UHFFFAOYSA-N 1 2 204.264 1.468 10 0 BDAELO CCNCC(F)(F)C[N@@H+]1CC[C@@H](C)C1 ZINC000685956827 538901029 /nfs/dbraw/zinc/90/10/29/538901029.db2.gz KYGTUFVHEFIZCB-SECBINFHSA-N 1 2 206.280 1.573 10 0 BDAELO CCNCC(F)(F)C[N@H+]1CC[C@@H](C)C1 ZINC000685956827 538901030 /nfs/dbraw/zinc/90/10/30/538901030.db2.gz KYGTUFVHEFIZCB-SECBINFHSA-N 1 2 206.280 1.573 10 0 BDAELO CCOC(=O)C(F)(F)C[NH2+][C@@H]1C[C@@H]1C ZINC000685956599 538902968 /nfs/dbraw/zinc/90/29/68/538902968.db2.gz DCYDPCCRXKDESA-NKWVEPMBSA-N 1 2 207.220 1.183 10 0 BDAELO CCN(CC)CC(F)(F)C[NH2+]C1CC1 ZINC000685957487 538904257 /nfs/dbraw/zinc/90/42/57/538904257.db2.gz ZANLNIREMDDAKG-UHFFFAOYSA-N 1 2 206.280 1.716 10 0 BDAELO CC[NH+](CC)CC(F)(F)CNC1CC1 ZINC000685957487 538904258 /nfs/dbraw/zinc/90/42/58/538904258.db2.gz ZANLNIREMDDAKG-UHFFFAOYSA-N 1 2 206.280 1.716 10 0 BDAELO CC[N@H+](CC1CC1)CC(F)(F)CNC ZINC000685957416 538904478 /nfs/dbraw/zinc/90/44/78/538904478.db2.gz RCDFOUWIRSTWDA-UHFFFAOYSA-N 1 2 206.280 1.573 10 0 BDAELO CC[N@@H+](CC1CC1)CC(F)(F)CNC ZINC000685957416 538904479 /nfs/dbraw/zinc/90/44/79/538904479.db2.gz RCDFOUWIRSTWDA-UHFFFAOYSA-N 1 2 206.280 1.573 10 0 BDAELO CC[N@H+](C[C@H]1C[C@@H]1C)CC(F)(F)CN ZINC000685957515 538905082 /nfs/dbraw/zinc/90/50/82/538905082.db2.gz ZWPKZZAQMFGUDC-DTWKUNHWSA-N 1 2 206.280 1.558 10 0 BDAELO CC[N@@H+](C[C@H]1C[C@@H]1C)CC(F)(F)CN ZINC000685957515 538905083 /nfs/dbraw/zinc/90/50/83/538905083.db2.gz ZWPKZZAQMFGUDC-DTWKUNHWSA-N 1 2 206.280 1.558 10 0 BDAELO C[NH2+]CC(F)(F)CN1CC[C@@H](C)[C@H]1C ZINC000685957952 538905556 /nfs/dbraw/zinc/90/55/56/538905556.db2.gz MFCPVPHDWDXOPO-RKDXNWHRSA-N 1 2 206.280 1.571 10 0 BDAELO CC[N@H+](CC(C)C)CC(F)(F)CNC ZINC000685957886 538905631 /nfs/dbraw/zinc/90/56/31/538905631.db2.gz KGSAVYGKOQXNFO-UHFFFAOYSA-N 1 2 208.296 1.819 10 0 BDAELO CC[N@@H+](CC(C)C)CC(F)(F)CNC ZINC000685957886 538905633 /nfs/dbraw/zinc/90/56/33/538905633.db2.gz KGSAVYGKOQXNFO-UHFFFAOYSA-N 1 2 208.296 1.819 10 0 BDAELO CCOC(=O)c1n[nH]nc1[C@@H]([NH3+])[C@H](C)CC ZINC000685954328 538897019 /nfs/dbraw/zinc/89/70/19/538897019.db2.gz QYZHAMXRJRYESU-RQJHMYQMSA-N 1 2 226.280 1.027 10 0 BDAELO CCC[N@@H+]1CCC(=O)C12CCC(=O)CC2 ZINC000685953359 538897432 /nfs/dbraw/zinc/89/74/32/538897432.db2.gz GSWVTCRRTIBEAX-UHFFFAOYSA-N 1 2 209.289 1.553 10 0 BDAELO CCC[N@H+]1CCC(=O)C12CCC(=O)CC2 ZINC000685953359 538897433 /nfs/dbraw/zinc/89/74/33/538897433.db2.gz GSWVTCRRTIBEAX-UHFFFAOYSA-N 1 2 209.289 1.553 10 0 BDAELO CC(C)n1ncnc1C[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000385185775 398138906 /nfs/dbraw/zinc/13/89/06/398138906.db2.gz NUKBQLSVPHLJRC-QWRGUYRKSA-N 1 2 238.335 1.204 10 0 BDAELO CC(C)n1ncnc1C[N@H+]1CCC[C@H](O)[C@@H]1C ZINC000385185775 398138910 /nfs/dbraw/zinc/13/89/10/398138910.db2.gz NUKBQLSVPHLJRC-QWRGUYRKSA-N 1 2 238.335 1.204 10 0 BDAELO CCC[C@@H]1Nc2ccc([NH3+])cc2C[C@@H]1O ZINC000685963835 538910706 /nfs/dbraw/zinc/91/07/06/538910706.db2.gz XXPDWLCOVBIKPF-RYUDHWBXSA-N 1 2 206.289 1.766 10 0 BDAELO Cc1[nH+]c(-c2ccc(F)cc2C)c(N)n1N ZINC000052838299 178080302 /nfs/dbraw/zinc/08/03/02/178080302.db2.gz OUHBBHWRKDPDNA-UHFFFAOYSA-N 1 2 220.251 1.602 10 0 BDAELO Cc1cc([NH3+])ccc1N(C)CC(=O)NC1CC1 ZINC000036131340 178105619 /nfs/dbraw/zinc/10/56/19/178105619.db2.gz PVOLKDHYNMGMJD-UHFFFAOYSA-N 1 2 233.315 1.292 10 0 BDAELO CC(C)[N@@H+]1CCOC[C@@H]1c1cccnn1 ZINC000616637770 398213733 /nfs/dbraw/zinc/21/37/33/398213733.db2.gz POIFQBLAYLRJPF-LLVKDONJSA-N 1 2 207.277 1.258 10 0 BDAELO CC(C)[N@H+]1CCOC[C@@H]1c1cccnn1 ZINC000616637770 398213734 /nfs/dbraw/zinc/21/37/34/398213734.db2.gz POIFQBLAYLRJPF-LLVKDONJSA-N 1 2 207.277 1.258 10 0 BDAELO Cc1cc(N[C@@H](C)[C@H]2CCCO2)nc[nH+]1 ZINC000040727191 178179247 /nfs/dbraw/zinc/17/92/47/178179247.db2.gz QZWUMOIKKYAPSW-VHSXEESVSA-N 1 2 207.277 1.764 10 0 BDAELO Cc1cc(SCc2ccc(N)[nH+]c2)n(C)n1 ZINC000052312286 178218941 /nfs/dbraw/zinc/21/89/41/178218941.db2.gz UHBIIRQWURROGG-UHFFFAOYSA-N 1 2 234.328 1.998 10 0 BDAELO COC[C@H](C)[NH2+][C@@H](C)c1nc(C(C)C)no1 ZINC000381484855 398259313 /nfs/dbraw/zinc/25/93/13/398259313.db2.gz UWDQAHBHOBGIFR-IUCAKERBSA-N 1 2 227.308 1.879 10 0 BDAELO Cc1ccc([C@H]([NH3+])[C@H](C)S(C)(=O)=O)o1 ZINC000167679594 346834578 /nfs/dbraw/zinc/83/45/78/346834578.db2.gz DKAYAILKIMSYGR-IONNQARKSA-N 1 2 217.290 1.021 10 0 BDAELO COC(=O)[C@H](Cc1c[nH+]c[nH]1)n1cccc1 ZINC000259739606 349587169 /nfs/dbraw/zinc/58/71/69/349587169.db2.gz RYTINYPZIBLOBE-JTQLQIEISA-N 1 2 219.244 1.168 10 0 BDAELO COC(=O)[C@H](Cc1c[nH]c[nH+]1)n1cccc1 ZINC000259739606 349587172 /nfs/dbraw/zinc/58/71/72/349587172.db2.gz RYTINYPZIBLOBE-JTQLQIEISA-N 1 2 219.244 1.168 10 0 BDAELO CCC(CC)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000309509757 168384768 /nfs/dbraw/zinc/38/47/68/168384768.db2.gz OTCIEKDJPTVBCM-MRVPVSSYSA-N 1 2 220.263 1.288 10 0 BDAELO O=C1CC[NH+](CCOCCc2ccccc2)CC1 ZINC000149040484 342792773 /nfs/dbraw/zinc/79/27/73/342792773.db2.gz FWFFHDPJDBURRZ-UHFFFAOYSA-N 1 2 247.338 1.911 10 0 BDAELO Cc1cnc([C@@H](C)[NH2+]Cc2cn[nH]c2)o1 ZINC000380228562 538987485 /nfs/dbraw/zinc/98/74/85/538987485.db2.gz KSIPEYZJKQJKOY-MRVPVSSYSA-N 1 2 206.249 1.557 10 0 BDAELO CNc1c(N)c[nH+]c2c(OC)cccc12 ZINC000584882818 343085474 /nfs/dbraw/zinc/08/54/74/343085474.db2.gz UGHGPCBQARGEOE-UHFFFAOYSA-N 1 2 203.245 1.867 10 0 BDAELO CCOC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000014507925 343125322 /nfs/dbraw/zinc/12/53/22/343125322.db2.gz MZCRIMVOOXQIAJ-OLZOCXBDSA-N 1 2 249.310 1.185 10 0 BDAELO CCOC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000014507925 343125323 /nfs/dbraw/zinc/12/53/23/343125323.db2.gz MZCRIMVOOXQIAJ-OLZOCXBDSA-N 1 2 249.310 1.185 10 0 BDAELO c1nncn1CCCCNc1cccc[nH+]1 ZINC000078510320 343371643 /nfs/dbraw/zinc/37/16/43/343371643.db2.gz ZAKDENZQFGQCHV-UHFFFAOYSA-N 1 2 217.276 1.565 10 0 BDAELO O=C(NCCCC1CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000569967520 323046048 /nfs/dbraw/zinc/04/60/48/323046048.db2.gz SXDGDZASNOGRMU-VIFPVBQESA-N 1 2 232.274 1.290 10 0 BDAELO O[C@@H](CC1CCCC1)CN1CCn2cc[nH+]c2C1 ZINC000232144428 136372303 /nfs/dbraw/zinc/37/23/03/136372303.db2.gz YMNVFQQPXGCMKX-ZDUSSCGKSA-N 1 2 249.358 1.640 10 0 BDAELO C[NH+](C)Cc1nc2c(s1)[C@H](O)CCC2 ZINC000050330882 343613851 /nfs/dbraw/zinc/61/38/51/343613851.db2.gz LSWHZRHVVGRMHQ-MRVPVSSYSA-N 1 2 212.318 1.574 10 0 BDAELO COc1nscc1[C@@H]1[NH2+]CCc2ccoc21 ZINC000712931221 537796166 /nfs/dbraw/zinc/79/61/66/537796166.db2.gz OSQWTBLRSQFSIO-VIFPVBQESA-N 1 2 236.296 1.980 10 0 BDAELO COc1nscc1[C@H]1[NH2+]CCc2ccoc21 ZINC000712931220 537796216 /nfs/dbraw/zinc/79/62/16/537796216.db2.gz OSQWTBLRSQFSIO-SECBINFHSA-N 1 2 236.296 1.980 10 0 BDAELO CCc1cc2c([nH+]c(NC)nc2N)s1 ZINC000234197220 343647761 /nfs/dbraw/zinc/64/77/61/343647761.db2.gz QHVHZPJSWINMQL-UHFFFAOYSA-N 1 2 208.290 1.878 10 0 BDAELO C[C@@H]1COC[C@H](C)[N@H+]1Cc1cncs1 ZINC000093606741 537804401 /nfs/dbraw/zinc/80/44/01/537804401.db2.gz UBXHNEDBQOPFGC-DTORHVGOSA-N 1 2 212.318 1.752 10 0 BDAELO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1cncs1 ZINC000093606741 537804404 /nfs/dbraw/zinc/80/44/04/537804404.db2.gz UBXHNEDBQOPFGC-DTORHVGOSA-N 1 2 212.318 1.752 10 0 BDAELO C[NH2+]C1(C(=O)OCc2ccccc2)CCC1 ZINC000199433771 343791718 /nfs/dbraw/zinc/79/17/18/343791718.db2.gz QMUBWKWSBHVSOP-UHFFFAOYSA-N 1 2 219.284 1.872 10 0 BDAELO Cc1[nH+]cn(-c2nc(C)c(N)c(C)n2)c1C ZINC000409426104 343821443 /nfs/dbraw/zinc/82/14/43/343821443.db2.gz CYQIIBAMZDWSPJ-UHFFFAOYSA-N 1 2 217.276 1.478 10 0 BDAELO CC[NH2+][C@H](c1nc(C)no1)c1cccnc1 ZINC000409441285 343856141 /nfs/dbraw/zinc/85/61/41/343856141.db2.gz OMAOJPDRFJXVHD-JTQLQIEISA-N 1 2 218.260 1.472 10 0 BDAELO C[NH2+][C@H](c1nc(C(C)C)no1)c1cccnc1 ZINC000409438874 343846078 /nfs/dbraw/zinc/84/60/78/343846078.db2.gz DVNBZVUMYIWIJQ-JTQLQIEISA-N 1 2 232.287 1.897 10 0 BDAELO Cc1[nH]ncc1C[NH2+]C[C@H](O)C(C)(C)C ZINC000393605791 343899596 /nfs/dbraw/zinc/89/95/96/343899596.db2.gz FVUBZYLEZZGNLE-JTQLQIEISA-N 1 2 211.309 1.215 10 0 BDAELO O=[S@@]1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC000070674707 343953950 /nfs/dbraw/zinc/95/39/50/343953950.db2.gz SBFMFGYZIJOMIE-HZMBPMFUSA-N 1 2 229.732 1.733 10 0 BDAELO CCCc1noc(C[N@@H+]2CC[C@H](C)[C@@H](O)C2)n1 ZINC000221472486 259373384 /nfs/dbraw/zinc/37/33/84/259373384.db2.gz ZWOYPEWNGHBESL-UWVGGRQHSA-N 1 2 239.319 1.225 10 0 BDAELO CCCc1noc(C[N@H+]2CC[C@H](C)[C@@H](O)C2)n1 ZINC000221472486 259373385 /nfs/dbraw/zinc/37/33/85/259373385.db2.gz ZWOYPEWNGHBESL-UWVGGRQHSA-N 1 2 239.319 1.225 10 0 BDAELO CC[N@@H+]1CCO[C@H](CNCc2ccco2)C1 ZINC000082491740 344156215 /nfs/dbraw/zinc/15/62/15/344156215.db2.gz OMICLZOTQFPTHP-GFCCVEGCSA-N 1 2 224.304 1.090 10 0 BDAELO CC[N@H+]1CCO[C@H](CNCc2ccco2)C1 ZINC000082491740 344156216 /nfs/dbraw/zinc/15/62/16/344156216.db2.gz OMICLZOTQFPTHP-GFCCVEGCSA-N 1 2 224.304 1.090 10 0 BDAELO Cc1cn(-c2nccc(Br)n2)c[nH+]1 ZINC000044118234 344395507 /nfs/dbraw/zinc/39/55/07/344395507.db2.gz LVEKPNTVQPFRNB-UHFFFAOYSA-N 1 2 239.076 1.733 10 0 BDAELO Cc1nc(N[C@@H]2CCC[C@]2(C)CO)cc[nH+]1 ZINC000078381304 344857484 /nfs/dbraw/zinc/85/74/84/344857484.db2.gz XPJLFDBDHIBWPL-ZYHUDNBSSA-N 1 2 221.304 1.748 10 0 BDAELO CCN(CC)c1nc(N)[nH+]c(C2CC2)n1 ZINC000082664911 537875313 /nfs/dbraw/zinc/87/53/13/537875313.db2.gz SVEIDDWGNUKJDT-UHFFFAOYSA-N 1 2 207.281 1.177 10 0 BDAELO CCN(CC)c1nc(N)nc(C2CC2)[nH+]1 ZINC000082664911 537875318 /nfs/dbraw/zinc/87/53/18/537875318.db2.gz SVEIDDWGNUKJDT-UHFFFAOYSA-N 1 2 207.281 1.177 10 0 BDAELO CCC[C@H]([NH2+][C@H]1CCOC1)C(=O)OC(C)(C)C ZINC000154856447 345051937 /nfs/dbraw/zinc/05/19/37/345051937.db2.gz VZNVNGQUTBWFOR-QWRGUYRKSA-N 1 2 243.347 1.875 10 0 BDAELO COC(=O)[C@H]([NH3+])Cc1ccc(Cl)s1 ZINC000044327364 345023900 /nfs/dbraw/zinc/02/39/00/345023900.db2.gz LKKAFJDCSBQQEE-ZCFIWIBFSA-N 1 2 219.693 1.444 10 0 BDAELO CCC1=[NH+]C2=N[C@@H](C)C[C@@H](C(F)F)N2N1 ZINC000720938755 537892427 /nfs/dbraw/zinc/89/24/27/537892427.db2.gz AMMNTJSCXRSVKS-WDSKDSINSA-N 1 2 216.235 1.397 10 0 BDAELO C[C@H](c1cccc(O)c1)[NH+]1CCOCC1 ZINC000168329036 345306025 /nfs/dbraw/zinc/30/60/25/345306025.db2.gz VAYIOMROPMJPEH-SNVBAGLBSA-N 1 2 207.273 1.785 10 0 BDAELO Cc1cn(Cc2ccc(C)[nH+]c2)nc1N ZINC000405736178 537946957 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CC(C)(C)OC(=O)[C@@H]1CCCCN([NH3+])C1 ZINC000575440301 387127671 /nfs/dbraw/zinc/12/76/71/387127671.db2.gz GQZJTMNVWICGDQ-SECBINFHSA-N 1 2 214.309 1.304 10 0 BDAELO Cc1nnc(C[N@@H+](C)[C@@H]2CCC[C@@H]2O)s1 ZINC000352665585 387427517 /nfs/dbraw/zinc/42/75/17/387427517.db2.gz FTKSOTHWWRKRFM-BDAKNGLRSA-N 1 2 227.333 1.192 10 0 BDAELO Cc1nnc(C[N@H+](C)[C@@H]2CCC[C@@H]2O)s1 ZINC000352665585 387427520 /nfs/dbraw/zinc/42/75/20/387427520.db2.gz FTKSOTHWWRKRFM-BDAKNGLRSA-N 1 2 227.333 1.192 10 0 BDAELO Cc1cc([C@@H]([NH3+])c2ccns2)sn1 ZINC000575570257 387736317 /nfs/dbraw/zinc/73/63/17/387736317.db2.gz XOYAOLRQTAPUMS-QMMMGPOBSA-N 1 2 211.315 1.956 10 0 BDAELO COC(=O)C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000195441738 387916911 /nfs/dbraw/zinc/91/69/11/387916911.db2.gz VWOXBCMZINZOHI-VIFPVBQESA-N 1 2 240.328 1.496 10 0 BDAELO COC(=O)C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000195441738 387916919 /nfs/dbraw/zinc/91/69/19/387916919.db2.gz VWOXBCMZINZOHI-VIFPVBQESA-N 1 2 240.328 1.496 10 0 BDAELO CC(C)n1nnnc1C[NH+]1CCCCC1 ZINC000195006063 388081546 /nfs/dbraw/zinc/08/15/46/388081546.db2.gz AGWLXDXBPABDRR-UHFFFAOYSA-N 1 2 209.297 1.240 10 0 BDAELO CC(C)n1nnnc1C[NH+]1CCC(C)CC1 ZINC000195010994 388082718 /nfs/dbraw/zinc/08/27/18/388082718.db2.gz KWQOCCYKNVJKQE-UHFFFAOYSA-N 1 2 223.324 1.486 10 0 BDAELO CO[C@@H](C)C[N@@H+]1CCC[C@H]1c1noc(C)n1 ZINC000371694006 388361418 /nfs/dbraw/zinc/36/14/18/388361418.db2.gz AFOCGJBNZZBXFE-WPRPVWTQSA-N 1 2 225.292 1.550 10 0 BDAELO CO[C@@H](C)C[N@H+]1CCC[C@H]1c1noc(C)n1 ZINC000371694006 388361421 /nfs/dbraw/zinc/36/14/21/388361421.db2.gz AFOCGJBNZZBXFE-WPRPVWTQSA-N 1 2 225.292 1.550 10 0 BDAELO CC[C@H](C)C[N@@H+]1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000246201852 388440504 /nfs/dbraw/zinc/44/05/04/388440504.db2.gz JGRCTKFEYBGVTL-GXSJLCMTSA-N 1 2 238.335 1.533 10 0 BDAELO CC[C@H](C)C[N@H+]1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000246201852 388440507 /nfs/dbraw/zinc/44/05/07/388440507.db2.gz JGRCTKFEYBGVTL-GXSJLCMTSA-N 1 2 238.335 1.533 10 0 BDAELO 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O=C1C[NH2+]CCN1c1cc(Cl)ccc1Cl ZINC000071559522 132394455 /nfs/dbraw/zinc/39/44/55/132394455.db2.gz ITXVDWZMQYHHOB-UHFFFAOYSA-N 1 2 245.109 1.930 10 0 BDAELO Cc1cnc([C@@H](C)[NH2+]Cc2cnn(C)c2C)o1 ZINC000220957595 134314883 /nfs/dbraw/zinc/31/48/83/134314883.db2.gz AAKMCONVWOHVSZ-SECBINFHSA-N 1 2 234.303 1.876 10 0 BDAELO Cc1noc(C[NH2+][C@H](C)c2cncc(F)c2)n1 ZINC000223187354 134337314 /nfs/dbraw/zinc/33/73/14/134337314.db2.gz HXSPMTSAAZELPT-SSDOTTSWSA-N 1 2 236.250 1.763 10 0 BDAELO CSCC[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000182699183 134346916 /nfs/dbraw/zinc/34/69/16/134346916.db2.gz FAVHBXTXIAIGON-VIFPVBQESA-N 1 2 226.349 1.695 10 0 BDAELO CSCC[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000182699183 134346915 /nfs/dbraw/zinc/34/69/15/134346915.db2.gz FAVHBXTXIAIGON-VIFPVBQESA-N 1 2 226.349 1.695 10 0 BDAELO C[C@H]1COC[C@H](C)[NH+]1CC(=O)NC(C)(C)C ZINC000077367757 135062637 /nfs/dbraw/zinc/06/26/37/135062637.db2.gz ZWPVZESYCVDTBM-UWVGGRQHSA-N 1 2 228.336 1.010 10 0 BDAELO CCc1cc(NC(=O)[C@@H]2COCC[NH2+]2)ccc1C ZINC000261573673 135109809 /nfs/dbraw/zinc/10/98/09/135109809.db2.gz MIYJKSHFHKLVJU-ZDUSSCGKSA-N 1 2 248.326 1.484 10 0 BDAELO c1cn(C2CCCC2)nc1C[NH2+]C1COC1 ZINC000087195198 135111346 /nfs/dbraw/zinc/11/13/46/135111346.db2.gz WQKDBCYBABYFKB-UHFFFAOYSA-N 1 2 221.304 1.487 10 0 BDAELO CCOC(=O)[C@@H](C)N(C)c1cc[nH+]c(C)c1 ZINC000261121846 135149724 /nfs/dbraw/zinc/14/97/24/135149724.db2.gz HKEVNNGCOCXBGE-SNVBAGLBSA-N 1 2 222.288 1.778 10 0 BDAELO CCCN1OC(C[NH2+]C)=N[C@H]1c1ccccc1 ZINC000584613846 398077888 /nfs/dbraw/zinc/07/78/88/398077888.db2.gz KSZYDNODVXGPSV-CYBMUJFWSA-N 1 2 233.315 1.960 10 0 BDAELO C[NH2+]CC1=N[C@@H](c2ccccc2)N(C(C)C)O1 ZINC000584613878 398078071 /nfs/dbraw/zinc/07/80/71/398078071.db2.gz LRDFSKXGDASNPK-CYBMUJFWSA-N 1 2 233.315 1.959 10 0 BDAELO c1cnn(C2C[NH+](Cc3cnn4c3CCC4)C2)c1 ZINC000585570642 487586832 /nfs/dbraw/zinc/58/68/32/487586832.db2.gz RGTSDOPUNKBZPR-UHFFFAOYSA-N 1 2 243.314 1.083 10 0 BDAELO CC(C)[NH2+]c1cc2c(cc1N)OCC(=O)N2 ZINC000035452762 167145144 /nfs/dbraw/zinc/14/51/44/167145144.db2.gz XOUPSSXVAXHUGI-UHFFFAOYSA-N 1 2 221.260 1.420 10 0 BDAELO CC(C)Oc1cc(OC2CC2)cc(N)[nH+]1 ZINC000095726287 167289227 /nfs/dbraw/zinc/28/92/27/167289227.db2.gz HGYBDKMAMLTNGS-UHFFFAOYSA-N 1 2 208.261 1.992 10 0 BDAELO CCn1cc([C@H]2C[N@H+](CC)CCO2)cn1 ZINC000190765363 170004225 /nfs/dbraw/zinc/00/42/25/170004225.db2.gz KLZPMNVVOSOQSI-LLVKDONJSA-N 1 2 209.293 1.296 10 0 BDAELO CCn1cc([C@H]2C[N@@H+](CC)CCO2)cn1 ZINC000190765363 170004227 /nfs/dbraw/zinc/00/42/27/170004227.db2.gz KLZPMNVVOSOQSI-LLVKDONJSA-N 1 2 209.293 1.296 10 0 BDAELO CC[N@@H+]1CC[C@@H](CNc2[nH+]cccc2C(=O)[O-])C1 ZINC000037645022 170009307 /nfs/dbraw/zinc/00/93/07/170009307.db2.gz TUMZCTOFEJEVRE-JTQLQIEISA-N 1 2 249.314 1.534 10 0 BDAELO CC[N@H+]1CC[C@@H](CNc2[nH+]cccc2C(=O)[O-])C1 ZINC000037645022 170009308 /nfs/dbraw/zinc/00/93/08/170009308.db2.gz TUMZCTOFEJEVRE-JTQLQIEISA-N 1 2 249.314 1.534 10 0 BDAELO CCNS(=O)(=O)[C@@H](C)c1[nH+]ccn1C1CC1 ZINC000095091584 170135982 /nfs/dbraw/zinc/13/59/82/170135982.db2.gz UXDRJPCBSOAFFW-QMMMGPOBSA-N 1 2 243.332 1.218 10 0 BDAELO CC[NH2+][C@@H](C(N)=O)c1c(F)cccc1Cl ZINC000037869690 170137760 /nfs/dbraw/zinc/13/77/60/170137760.db2.gz YELKPMNXZPPGKT-SECBINFHSA-N 1 2 230.670 1.615 10 0 BDAELO CCN[C@]1(c2nc(C)c(C)s2)CC[N@H+](C)C1 ZINC000061991848 170170104 /nfs/dbraw/zinc/17/01/04/170170104.db2.gz KYNPTBIASLQFQU-GFCCVEGCSA-N 1 2 239.388 1.900 10 0 BDAELO CCN[C@]1(c2nc(C)c(C)s2)CC[N@@H+](C)C1 ZINC000061991848 170170106 /nfs/dbraw/zinc/17/01/06/170170106.db2.gz KYNPTBIASLQFQU-GFCCVEGCSA-N 1 2 239.388 1.900 10 0 BDAELO CCNc1ccc(CN2CCN(C)C2=O)c[nH+]1 ZINC000052886349 170173601 /nfs/dbraw/zinc/17/36/01/170173601.db2.gz DNHIPAANHPDIQD-UHFFFAOYSA-N 1 2 234.303 1.381 10 0 BDAELO CCOC(=O)C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000038009865 170225781 /nfs/dbraw/zinc/22/57/81/170225781.db2.gz GWANMIVGWJFPGN-LLVKDONJSA-N 1 2 235.283 1.143 10 0 BDAELO CCOC(=O)[C@@H]([NH3+])c1cc(F)c(F)c(F)c1 ZINC000062713158 170253806 /nfs/dbraw/zinc/25/38/06/170253806.db2.gz VMHYNNNJCKBUID-VIFPVBQESA-N 1 2 233.189 1.667 10 0 BDAELO CCOC(=O)[C@@](C)([NH3+])c1ccc(F)cc1 ZINC000037459838 170261913 /nfs/dbraw/zinc/26/19/13/170261913.db2.gz PIKWGBWAPHXPNL-NSHDSACASA-N 1 2 211.236 1.563 10 0 BDAELO CCOC(=O)[C@H]([NH3+])Cc1ccc(CC)o1 ZINC000044340193 170275496 /nfs/dbraw/zinc/27/54/96/170275496.db2.gz ZBMJECRMHPFMNU-SNVBAGLBSA-N 1 2 211.261 1.275 10 0 BDAELO CC(=O)N1CCCC[C@@H]1c1cc[nH+]c(N)c1 ZINC000616614429 411855280 /nfs/dbraw/zinc/85/52/80/411855280.db2.gz FQXJOJOAJLDMDQ-LLVKDONJSA-N 1 2 219.288 1.737 10 0 BDAELO CC[N@@H+]1CCOC[C@@H]1c1ccc(N)nc1 ZINC000616637137 411857630 /nfs/dbraw/zinc/85/76/30/411857630.db2.gz LURAPUUHWIZMFG-SNVBAGLBSA-N 1 2 207.277 1.057 10 0 BDAELO CC[N@H+]1CCOC[C@@H]1c1ccc(N)nc1 ZINC000616637137 411857632 /nfs/dbraw/zinc/85/76/32/411857632.db2.gz LURAPUUHWIZMFG-SNVBAGLBSA-N 1 2 207.277 1.057 10 0 BDAELO Cc1[nH+]c(N)c(Br)cc1N ZINC000575465795 411937838 /nfs/dbraw/zinc/93/78/38/411937838.db2.gz ZXLQNPCWHNHWPM-UHFFFAOYSA-N 1 2 202.055 1.317 10 0 BDAELO CC[C@@](C)(CCO)Nc1[nH+]cnc2c1cnn2C ZINC000177848405 171166449 /nfs/dbraw/zinc/16/64/49/171166449.db2.gz BXQSPYSUCLINPV-LBPRGKRZSA-N 1 2 249.318 1.326 10 0 BDAELO CC1C[C@H]2CC[C@@H](C1)N2Cc1noc(C[NH3+])n1 ZINC000662318736 412098009 /nfs/dbraw/zinc/09/80/09/412098009.db2.gz FMLPEUBBXNURNS-PBINXNQUSA-N 1 2 236.319 1.291 10 0 BDAELO CC[C@H](C)CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000662626934 412243396 /nfs/dbraw/zinc/24/33/96/412243396.db2.gz NNTHTCPULFIJTL-DTWKUNHWSA-N 1 2 234.290 1.536 10 0 BDAELO CCc1nc([C@H]([NH3+])c2cccs2)no1 ZINC000041672984 172007474 /nfs/dbraw/zinc/00/74/74/172007474.db2.gz KBYOPZUQRXFHII-MRVPVSSYSA-N 1 2 209.274 1.742 10 0 BDAELO CCc1[nH]c2ccc(C[NH2+]CCC(=O)[O-])cc2[nH+]1 ZINC000107293340 172009997 /nfs/dbraw/zinc/00/99/97/172009997.db2.gz OFAWFYRUPBGVSG-UHFFFAOYSA-N 1 2 247.298 1.690 10 0 BDAELO CCc1[nH+]c2ccccc2n1[C@H](C)C(N)=O ZINC000057321975 172013136 /nfs/dbraw/zinc/01/31/36/172013136.db2.gz GMQUBQTWEUAYAD-MRVPVSSYSA-N 1 2 217.272 1.645 10 0 BDAELO CN(Cc1[nH+]ccn1C)c1ccccc1N ZINC000062249984 172933577 /nfs/dbraw/zinc/93/35/77/172933577.db2.gz RESZXGASWDMSEC-UHFFFAOYSA-N 1 2 216.288 1.639 10 0 BDAELO C[NH2+]Cc1noc([C@H]2CCOc3ccccc32)n1 ZINC000104203722 173399389 /nfs/dbraw/zinc/39/93/89/173399389.db2.gz PLPBYFDHUMDQHL-JTQLQIEISA-N 1 2 245.282 1.703 10 0 BDAELO C[NH2+]Cc1noc(CCOc2ccccc2)n1 ZINC000051848455 173399641 /nfs/dbraw/zinc/39/96/41/173399641.db2.gz MAZXSPMBDGFUAL-UHFFFAOYSA-N 1 2 233.271 1.411 10 0 BDAELO COCCNc1nc(C)[nH+]c2c1CCC2 ZINC000075876869 174341529 /nfs/dbraw/zinc/34/15/29/174341529.db2.gz UWTNSNRUBHMESU-UHFFFAOYSA-N 1 2 207.277 1.332 10 0 BDAELO COCCNc1ccc2[nH+]cccc2c1N ZINC000037377461 174341740 /nfs/dbraw/zinc/34/17/40/174341740.db2.gz REAWLAHCNORUCO-UHFFFAOYSA-N 1 2 217.272 1.875 10 0 BDAELO COc1ccc(C(=O)C[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC000050152832 175054053 /nfs/dbraw/zinc/05/40/53/175054053.db2.gz XKBCTEAUQSKHNB-GFCCVEGCSA-N 1 2 249.310 1.335 10 0 BDAELO COc1ccc(C(=O)C[N@H+]2CCC[C@@H](O)C2)cc1 ZINC000050152832 175054055 /nfs/dbraw/zinc/05/40/55/175054055.db2.gz XKBCTEAUQSKHNB-GFCCVEGCSA-N 1 2 249.310 1.335 10 0 BDAELO COc1ccc([NH2+]CCCCO)c(OC)c1 ZINC000043445292 175150839 /nfs/dbraw/zinc/15/08/39/175150839.db2.gz HBYDOBUFAUQYFB-UHFFFAOYSA-N 1 2 225.288 1.888 10 0 BDAELO COc1cccc(C[C@@H]2C[N@H+](C)CCC2=O)c1 ZINC000076680129 175271933 /nfs/dbraw/zinc/27/19/33/175271933.db2.gz PIEFIDOAHBSIJP-GFCCVEGCSA-N 1 2 233.311 1.759 10 0 BDAELO COc1cccc(C[C@@H]2C[N@@H+](C)CCC2=O)c1 ZINC000076680129 175271934 /nfs/dbraw/zinc/27/19/34/175271934.db2.gz PIEFIDOAHBSIJP-GFCCVEGCSA-N 1 2 233.311 1.759 10 0 BDAELO COc1ccccc1C(=O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000050152869 175316334 /nfs/dbraw/zinc/31/63/34/175316334.db2.gz ZOAZQHVJDVFHGU-LLVKDONJSA-N 1 2 249.310 1.335 10 0 BDAELO COc1ccccc1C(=O)C[N@H+]1CCC[C@@H](O)C1 ZINC000050152869 175316336 /nfs/dbraw/zinc/31/63/36/175316336.db2.gz ZOAZQHVJDVFHGU-LLVKDONJSA-N 1 2 249.310 1.335 10 0 BDAELO COc1ccccc1[C@H]([NH3+])c1ncon1 ZINC000036761941 175353192 /nfs/dbraw/zinc/35/31/92/175353192.db2.gz GLQPXWJZMFNIMP-VIFPVBQESA-N 1 2 205.217 1.126 10 0 BDAELO C[C@@H](c1ccc(N)cc1)[NH+]1CCS(=O)CC1 ZINC000049691322 176015962 /nfs/dbraw/zinc/01/59/62/176015962.db2.gz SOKYJNKKQHIEFB-JTQLQIEISA-N 1 2 238.356 1.394 10 0 BDAELO C[C@@H]1CCC[C@@]2(CCSC(N)=[NH+]2)O1 ZINC000169316158 176134704 /nfs/dbraw/zinc/13/47/04/176134704.db2.gz WBMCXFZAUASWLX-APPZFPTMSA-N 1 2 200.307 1.723 10 0 BDAELO C[C@@H]1CCC[C@@]2(CSC(NCC(N)=O)=[NH+]2)C1 ZINC000053098666 176135130 /nfs/dbraw/zinc/13/51/30/176135130.db2.gz TWNSPPGSOQVZJG-KCJUWKMLSA-N 1 2 241.360 1.113 10 0 BDAELO C[C@@H]1COC[C@@H](C)[NH+]1Cc1cnn(C)c1 ZINC000120795737 176346417 /nfs/dbraw/zinc/34/64/17/176346417.db2.gz VRMTVTJKYNYYOU-NXEZZACHSA-N 1 2 209.293 1.029 10 0 BDAELO C[C@H](O)[C@H]([NH3+])c1nc(Cc2ccccc2)no1 ZINC000021519755 177013690 /nfs/dbraw/zinc/01/36/90/177013690.db2.gz JQKZJRUUWPAQAZ-KWQFWETISA-N 1 2 233.271 1.041 10 0 BDAELO C[C@H](Sc1ccc(N)[nH+]c1)C(=O)NC1CC1 ZINC000037192539 177028899 /nfs/dbraw/zinc/02/88/99/177028899.db2.gz GEMURPOERWVGGC-ZETCQYMHSA-N 1 2 237.328 1.423 10 0 BDAELO C[C@H]1CCC[C@@]2(CCSC(N)=[NH+]2)O1 ZINC000169316160 177128471 /nfs/dbraw/zinc/12/84/71/177128471.db2.gz WBMCXFZAUASWLX-CBAPKCEASA-N 1 2 200.307 1.723 10 0 BDAELO C[C@H]1COC[C@H](C)[NH+]1Cc1cnn(C)c1 ZINC000120795591 177299803 /nfs/dbraw/zinc/29/98/03/177299803.db2.gz VRMTVTJKYNYYOU-UWVGGRQHSA-N 1 2 209.293 1.029 10 0 BDAELO C[C@H]1COC[C@H](C)[NH+]1Cc1ccc(CO)o1 ZINC000093607151 177300274 /nfs/dbraw/zinc/30/02/74/177300274.db2.gz HHPPHCSPRIQMJS-UWVGGRQHSA-N 1 2 225.288 1.381 10 0 BDAELO C[C@H]1C[C@@H]1[NH+]=c1[nH]c2c(cccc2F)n1C ZINC000336775974 177346670 /nfs/dbraw/zinc/34/66/70/177346670.db2.gz DGKYUBRJNSHPMP-CBAPKCEASA-N 1 2 219.263 1.955 10 0 BDAELO C[C@H]1C[C@@H]1NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000171048149 177349156 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/nfs/dbraw/zinc/54/00/52/487540052.db2.gz VYLSIRWKPUCRDI-QMMMGPOBSA-N 1 2 238.291 1.048 10 0 BDAELO CCc1cc(N2CCC[C@@H](O)[C@@H]2C)nc(C)[nH+]1 ZINC000294977233 487479611 /nfs/dbraw/zinc/47/96/11/487479611.db2.gz LPLGILYRZUXUMU-JOYOIKCWSA-N 1 2 235.331 1.697 10 0 BDAELO COC(=O)[C@H](c1cccc(C)c1)[NH+](C)C ZINC000095532763 523939823 /nfs/dbraw/zinc/93/98/23/523939823.db2.gz IHLNWPRNUWARRR-NSHDSACASA-N 1 2 207.273 1.771 10 0 BDAELO COC(=O)[C@](C)(c1ccc(F)cc1)[NH+](C)C ZINC000095532524 524003653 /nfs/dbraw/zinc/00/36/53/524003653.db2.gz YAOUJGFLPPMLBZ-LBPRGKRZSA-N 1 2 225.263 1.776 10 0 BDAELO Cc1ccc([C@H]([NH3+])c2ncon2)cc1F ZINC000082503760 525963996 /nfs/dbraw/zinc/96/39/96/525963996.db2.gz HZQCUDUSYTVTHI-VIFPVBQESA-N 1 2 207.208 1.565 10 0 BDAELO C[C@H]1C[N@H+](CC(F)(F)CN)CC[C@@H]1C ZINC000306577544 537916019 /nfs/dbraw/zinc/91/60/19/537916019.db2.gz VKXMVYJBMNFMPU-IUCAKERBSA-N 1 2 206.280 1.558 10 0 BDAELO C[C@H]1C[N@@H+](CC(F)(F)CN)CC[C@@H]1C ZINC000306577544 537916011 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/nfs/dbraw/zinc/44/12/49/586441249.db2.gz QFYQAJRBKRBOHX-JFUSQASVSA-N 1 2 234.299 1.525 10 0 BDAELO C[C@@H]1C[NH2+][C@@H](c2ccc(C(=O)[O-])cc2)[C@@H]([NH3+])C1 ZINC000757217364 586441876 /nfs/dbraw/zinc/44/18/76/586441876.db2.gz RRQZGWDYVXXKIX-UWJYBYFXSA-N 1 2 234.299 1.383 10 0 BDAELO CC[N@@H+]1CCO[C@@H](CNc2nccs2)C1 ZINC000122782678 589631744 /nfs/dbraw/zinc/63/17/44/589631744.db2.gz PDMABXICWUZUSQ-VIFPVBQESA-N 1 2 227.333 1.276 10 0 BDAELO CC[N@H+]1CCO[C@@H](CNc2nccs2)C1 ZINC000122782678 589631746 /nfs/dbraw/zinc/63/17/46/589631746.db2.gz PDMABXICWUZUSQ-VIFPVBQESA-N 1 2 227.333 1.276 10 0 BDAELO C[C@@H](O)c1ccc(N2CCn3cc[nH+]c3C2)nc1 ZINC000213279184 591459005 /nfs/dbraw/zinc/45/90/05/591459005.db2.gz LIVHYSXWSBDPME-SNVBAGLBSA-N 1 2 244.298 1.352 10 0 BDAELO CCCNc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000135178934 591994821 /nfs/dbraw/zinc/99/48/21/591994821.db2.gz CPSHWTDLJKBRCR-JTQLQIEISA-N 1 2 236.319 1.260 10 0 BDAELO CCCNc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000135178934 591994822 /nfs/dbraw/zinc/99/48/22/591994822.db2.gz CPSHWTDLJKBRCR-JTQLQIEISA-N 1 2 236.319 1.260 10 0 BDAELO COC[C@@H]([NH3+])c1nc([C@@H]2CCC(F)(F)C2)no1 ZINC000302474143 592548700 /nfs/dbraw/zinc/54/87/00/592548700.db2.gz ZXSSHSBNELDMIU-RNFRBKRXSA-N 1 2 247.245 1.619 10 0 BDAELO C[C@@H]([NH2+]CC[C@@H]1CCCO1)C(=O)OC(C)(C)C ZINC000090814837 631233957 /nfs/dbraw/zinc/23/39/57/631233957.db2.gz WOUXXPKSZPHVMA-MNOVXSKESA-N 1 2 243.347 1.875 10 0 BDAELO CNc1cc(N[C@@H]2CCCC[C@@H]2O)nc[nH+]1 ZINC000087826952 631481784 /nfs/dbraw/zinc/48/17/84/631481784.db2.gz BIHXBHREDCVYGX-BDAKNGLRSA-N 1 2 222.292 1.234 10 0 BDAELO CNc1cc(N[C@@H]2CCCC[C@@H]2O)[nH+]cn1 ZINC000087826952 631481787 /nfs/dbraw/zinc/48/17/87/631481787.db2.gz BIHXBHREDCVYGX-BDAKNGLRSA-N 1 2 222.292 1.234 10 0 BDAELO CNc1cc(NC2CC(OC)C2)[nH+]cn1 ZINC000234487137 631549154 /nfs/dbraw/zinc/54/91/54/631549154.db2.gz DPTBTLGYAVOPMK-UHFFFAOYSA-N 1 2 208.265 1.108 10 0 BDAELO C[C@@H](O)[C@H](C)Nc1[nH+]c2ccccc2n1C ZINC000336777574 635287138 /nfs/dbraw/zinc/28/71/38/635287138.db2.gz IWUNBSPTNVONNU-DTWKUNHWSA-N 1 2 219.288 1.176 10 0 BDAELO Nc1cnc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cn1 ZINC000231298315 641157619 /nfs/dbraw/zinc/15/76/19/641157619.db2.gz PFACYYSVVRJYHO-NWDGAFQWSA-N 1 2 248.330 1.202 10 0 BDAELO Nc1cnc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cn1 ZINC000231298315 641157628 /nfs/dbraw/zinc/15/76/28/641157628.db2.gz PFACYYSVVRJYHO-NWDGAFQWSA-N 1 2 248.330 1.202 10 0 BDAELO CCC[C@H]([NH2+]C(C)(C)CO)C(=O)OCC ZINC000216260711 641711313 /nfs/dbraw/zinc/71/13/13/641711313.db2.gz CDBSNBKDMFIOIS-VIFPVBQESA-N 1 2 217.309 1.079 10 0 BDAELO CC(C)C(=O)N[C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000070254101 643003139 /nfs/dbraw/zinc/00/31/39/643003139.db2.gz HGORTOWUYYPPTG-MNOVXSKESA-N 1 2 221.304 1.749 10 0 BDAELO C[NH2+][C@@]1(C(=O)[O-])CCC[C@H](n2cc[nH+]c2)C1 ZINC000086604630 644155235 /nfs/dbraw/zinc/15/52/35/644155235.db2.gz ZZNAEDTVMJWHCX-ONGXEEELSA-N 1 2 223.276 1.041 10 0 BDAELO CCOC(=O)[C@H]([NH3+])COCc1ccccc1 ZINC000034071342 646170372 /nfs/dbraw/zinc/17/03/72/646170372.db2.gz NQAGYKGGQHDABK-LLVKDONJSA-N 1 2 223.272 1.094 10 0 BDAELO CC(C)[C@@H](C)NC(=O)C[C@@H]([NH3+])C(F)F ZINC000724726350 711609866 /nfs/dbraw/zinc/60/98/66/711609866.db2.gz CNGVZNYKZCVQDS-RNFRBKRXSA-N 1 2 208.252 1.130 10 0 BDAELO C[C@H]1CCC(=O)C[N@@H+]1CCC1(O)CCC1 ZINC000725643681 711668485 /nfs/dbraw/zinc/66/84/85/711668485.db2.gz IGZQSSZUSOHTBM-JTQLQIEISA-N 1 2 211.305 1.345 10 0 BDAELO C[C@H]1CCC(=O)C[N@H+]1CCC1(O)CCC1 ZINC000725643681 711668486 /nfs/dbraw/zinc/66/84/86/711668486.db2.gz IGZQSSZUSOHTBM-JTQLQIEISA-N 1 2 211.305 1.345 10 0 BDAELO CSC1CC(Nc2nc(C)[nH+]c(N)n2)C1 ZINC000707216471 712167093 /nfs/dbraw/zinc/16/70/93/712167093.db2.gz WUPQAJIIMKVVBN-UHFFFAOYSA-N 1 2 225.321 1.068 10 0 BDAELO CSC1CC(Nc2nc(N)nc(C)[nH+]2)C1 ZINC000707216471 712167094 /nfs/dbraw/zinc/16/70/94/712167094.db2.gz WUPQAJIIMKVVBN-UHFFFAOYSA-N 1 2 225.321 1.068 10 0 BDAELO C[C@H](C(N)=O)[N@H+](C)Cc1cncc(Cl)c1 ZINC000705526750 712132913 /nfs/dbraw/zinc/13/29/13/712132913.db2.gz JHJMIWIRWUVJQA-SSDOTTSWSA-N 1 2 227.695 1.041 10 0 BDAELO C[C@H](C(N)=O)[N@@H+](C)Cc1cncc(Cl)c1 ZINC000705526750 712132916 /nfs/dbraw/zinc/13/29/16/712132916.db2.gz JHJMIWIRWUVJQA-SSDOTTSWSA-N 1 2 227.695 1.041 10 0 BDAELO C[C@@H](Nc1cccc[nH+]1)c1cn(C)nn1 ZINC000720579876 712853567 /nfs/dbraw/zinc/85/35/67/712853567.db2.gz MJZJWLHFANRGRJ-MRVPVSSYSA-N 1 2 203.249 1.383 10 0 BDAELO C[C@H](C[NH3+])[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000383021267 971844578 /nfs/dbraw/zinc/84/45/78/971844578.db2.gz QGTCGSGMERYLST-SECBINFHSA-N 1 2 222.288 1.164 10 0 BDAELO C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000383021267 971844580 /nfs/dbraw/zinc/84/45/80/971844580.db2.gz QGTCGSGMERYLST-SECBINFHSA-N 1 2 222.288 1.164 10 0 BDAELO C[NH+](C)C1CC([NH2+]Cc2cccc(C(=O)[O-])c2)C1 ZINC000706096543 969013561 /nfs/dbraw/zinc/01/35/61/969013561.db2.gz FHSXDGOJHINMIV-UHFFFAOYSA-N 1 2 248.326 1.567 10 0 BDAELO CCC[C@@](C)([NH2+]Cc1[nH]c(C)[nH+]c1C)C(=O)[O-] 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CS(=O)(=O)N1CCCCC[C@H]1c1[nH]cc[nH+]1 ZINC000616623240 351088142 /nfs/dbraw/zinc/08/81/42/351088142.db2.gz JXDCGDGFBZZLGQ-VIFPVBQESA-N 1 2 243.332 1.286 10 0 BDAELO c1n[nH]cc1[C@@H]1COCC[N@H+]1Cc1ccccc1 ZINC000616640412 351145977 /nfs/dbraw/zinc/14/59/77/351145977.db2.gz ZYJFYQIZAMUJPT-AWEZNQCLSA-N 1 2 243.310 1.983 10 0 BDAELO c1n[nH]cc1[C@@H]1COCC[N@@H+]1Cc1ccccc1 ZINC000616640412 351145981 /nfs/dbraw/zinc/14/59/81/351145981.db2.gz ZYJFYQIZAMUJPT-AWEZNQCLSA-N 1 2 243.310 1.983 10 0 BDAELO COC(=O)[C@@H]1COCCC[N@@H+]1Cc1ccccc1 ZINC000616646982 351164265 /nfs/dbraw/zinc/16/42/65/351164265.db2.gz HQFNZFOKIVCQEA-ZDUSSCGKSA-N 1 2 249.310 1.451 10 0 BDAELO COC(=O)[C@@H]1COCCC[N@H+]1Cc1ccccc1 ZINC000616646982 351164266 /nfs/dbraw/zinc/16/42/66/351164266.db2.gz HQFNZFOKIVCQEA-ZDUSSCGKSA-N 1 2 249.310 1.451 10 0 BDAELO CC[N@@H+]1CCO[C@@H](c2cccnc2N)C1 ZINC000616644962 351165666 /nfs/dbraw/zinc/16/56/66/351165666.db2.gz MFSRCSNNGGZTPV-SNVBAGLBSA-N 1 2 207.277 1.057 10 0 BDAELO CC[N@H+]1CCO[C@@H](c2cccnc2N)C1 ZINC000616644962 351165669 /nfs/dbraw/zinc/16/56/69/351165669.db2.gz MFSRCSNNGGZTPV-SNVBAGLBSA-N 1 2 207.277 1.057 10 0 BDAELO CC(=O)Nc1cccc([C@H]2COCC[N@H+]2C)c1 ZINC000616637081 351129734 /nfs/dbraw/zinc/12/97/34/351129734.db2.gz KIWLYJCFQAOUTL-CYBMUJFWSA-N 1 2 234.299 1.648 10 0 BDAELO CC(=O)Nc1cccc([C@H]2COCC[N@@H+]2C)c1 ZINC000616637081 351129738 /nfs/dbraw/zinc/12/97/38/351129738.db2.gz KIWLYJCFQAOUTL-CYBMUJFWSA-N 1 2 234.299 1.648 10 0 BDAELO CNc1ccccc1[C@H]1COCC[N@@H+]1CCO ZINC000616636928 351130517 /nfs/dbraw/zinc/13/05/17/351130517.db2.gz IFHYEXKQRFOEFY-CYBMUJFWSA-N 1 2 236.315 1.094 10 0 BDAELO CNc1ccccc1[C@H]1COCC[N@H+]1CCO ZINC000616636928 351130520 /nfs/dbraw/zinc/13/05/20/351130520.db2.gz IFHYEXKQRFOEFY-CYBMUJFWSA-N 1 2 236.315 1.094 10 0 BDAELO CC(C)(C)[N@@H+]1CCOC[C@@H]1c1ccno1 ZINC000616638543 351139676 /nfs/dbraw/zinc/13/96/76/351139676.db2.gz XJFDDLXQLGTDCK-SECBINFHSA-N 1 2 210.277 1.846 10 0 BDAELO CC(C)(C)[N@H+]1CCOC[C@@H]1c1ccno1 ZINC000616638543 351139680 /nfs/dbraw/zinc/13/96/80/351139680.db2.gz XJFDDLXQLGTDCK-SECBINFHSA-N 1 2 210.277 1.846 10 0 BDAELO OCCN1c2ccccc2CC[C@H]1c1[nH]cc[nH+]1 ZINC000616671966 351234161 /nfs/dbraw/zinc/23/41/61/351234161.db2.gz YGVUVFPVHFUKSA-ZDUSSCGKSA-N 1 2 243.310 1.896 10 0 BDAELO OCCN1CC[C@@H](c2c[nH]c[nH+]2)c2ccccc21 ZINC000616673615 351237274 /nfs/dbraw/zinc/23/72/74/351237274.db2.gz YIAFKSFMUJPMRT-LLVKDONJSA-N 1 2 243.310 1.744 10 0 BDAELO OCC[N@@H+]1CCc2ccccc2[C@H]1c1conn1 ZINC000616679776 351245806 /nfs/dbraw/zinc/24/58/06/351245806.db2.gz WXCBELZNACUWPA-ZDUSSCGKSA-N 1 2 245.282 1.009 10 0 BDAELO OCC[N@H+]1CCc2ccccc2[C@H]1c1conn1 ZINC000616679776 351245808 /nfs/dbraw/zinc/24/58/08/351245808.db2.gz WXCBELZNACUWPA-ZDUSSCGKSA-N 1 2 245.282 1.009 10 0 BDAELO CC(=O)N1CCc2ccccc2[C@H]1c1[nH]cc[nH+]1 ZINC000616680705 351247990 /nfs/dbraw/zinc/24/79/90/351247990.db2.gz OPRBBVOXJBOGNN-ZDUSSCGKSA-N 1 2 241.294 1.904 10 0 BDAELO C[C@H]1C[N@H+](CC(=O)C2CC2)CC(C)(C)O1 ZINC000068895359 351268793 /nfs/dbraw/zinc/26/87/93/351268793.db2.gz ZGJBQSZEIABAGX-VIFPVBQESA-N 1 2 211.305 1.465 10 0 BDAELO C[C@H]1C[N@@H+](CC(=O)C2CC2)CC(C)(C)O1 ZINC000068895359 351268796 /nfs/dbraw/zinc/26/87/96/351268796.db2.gz ZGJBQSZEIABAGX-VIFPVBQESA-N 1 2 211.305 1.465 10 0 BDAELO Cc1cc([C@@H]2C[S@](=O)CC[NH2+]2)cs1 ZINC000307101458 351477192 /nfs/dbraw/zinc/47/71/92/351477192.db2.gz HULPIWAMNPDTRB-TVQRCGJNSA-N 1 2 215.343 1.450 10 0 BDAELO Cc1cnc([C@H]([NH3+])c2cscn2)nc1 ZINC000307167569 351540368 /nfs/dbraw/zinc/54/03/68/351540368.db2.gz SACJNCPMFNUCHJ-MRVPVSSYSA-N 1 2 206.274 1.290 10 0 BDAELO CS[C@@H]1CC[N@H+](Cc2nnc(N)s2)C1 ZINC000307216260 351616030 /nfs/dbraw/zinc/61/60/30/351616030.db2.gz BQIKJMMBWVGBDU-ZCFIWIBFSA-N 1 2 230.362 1.058 10 0 BDAELO CS[C@@H]1CC[N@@H+](Cc2nnc(N)s2)C1 ZINC000307216260 351616033 /nfs/dbraw/zinc/61/60/33/351616033.db2.gz BQIKJMMBWVGBDU-ZCFIWIBFSA-N 1 2 230.362 1.058 10 0 BDAELO C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000638852518 353023671 /nfs/dbraw/zinc/02/36/71/353023671.db2.gz HSPZBNDRSBWUTB-CBAPKCEASA-N 1 2 232.274 1.241 10 0 BDAELO Nc1cc(Sc2ccccc2)[nH+]c(N)n1 ZINC000082287098 188293433 /nfs/dbraw/zinc/29/34/33/188293433.db2.gz VBTGLXAQNKWHSF-UHFFFAOYSA-N 1 2 218.285 1.792 10 0 BDAELO CC(C)(C)c1ccc([C@@]2(C)[NH2+]CCNC2=O)cc1 ZINC000051925229 188299921 /nfs/dbraw/zinc/29/99/21/188299921.db2.gz TWTBTIHCDMXQMO-OAHLLOKOSA-N 1 2 246.354 1.919 10 0 BDAELO Cc1ccc(C)c(C(=O)C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000061711038 188302112 /nfs/dbraw/zinc/30/21/12/188302112.db2.gz YAKNEHTWMUQULX-GFCCVEGCSA-N 1 2 233.311 1.553 10 0 BDAELO Cc1ccc(C)c(C(=O)C[N@H+]2CC[C@@H](O)C2)c1 ZINC000061711038 188302114 /nfs/dbraw/zinc/30/21/14/188302114.db2.gz YAKNEHTWMUQULX-GFCCVEGCSA-N 1 2 233.311 1.553 10 0 BDAELO C=Cn1cc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000193579329 188351430 /nfs/dbraw/zinc/35/14/30/188351430.db2.gz NPLSMKUQHWCIIA-GHMZBOCLSA-N 1 2 221.304 1.593 10 0 BDAELO COc1ccc[nH+]c1NC[C@@H]1CCC[C@@H]1O ZINC000160246217 355659722 /nfs/dbraw/zinc/65/97/22/355659722.db2.gz JHMDBVHAUUMUPL-UWVGGRQHSA-N 1 2 222.288 1.663 10 0 BDAELO NC(=O)C1CC[NH+](CC(=O)c2ccccc2)CC1 ZINC000034989580 181216234 /nfs/dbraw/zinc/21/62/34/181216234.db2.gz MPSTUDHFRUDSLV-UHFFFAOYSA-N 1 2 246.310 1.067 10 0 BDAELO NC(=O)C[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000061680695 181235494 /nfs/dbraw/zinc/23/54/94/181235494.db2.gz QQLIUHKLRCSWGO-UHFFFAOYSA-N 1 2 247.323 1.385 10 0 BDAELO [NH3+]Cc1nc(CN2CCCC3(CC3)CC2)no1 ZINC000629585964 538459150 /nfs/dbraw/zinc/45/91/50/538459150.db2.gz IIWZQUOBELNNSG-UHFFFAOYSA-N 1 2 236.319 1.294 10 0 BDAELO CC(C)c1nsc(N[C@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000389761278 357025684 /nfs/dbraw/zinc/02/56/84/357025684.db2.gz XEHMDIYHKHISKG-IUCAKERBSA-N 1 2 240.376 1.493 10 0 BDAELO CC(C)c1nsc(N[C@@H]2C[NH2+]CC[C@H]2C)n1 ZINC000389761283 357025943 /nfs/dbraw/zinc/02/59/43/357025943.db2.gz XEHMDIYHKHISKG-RKDXNWHRSA-N 1 2 240.376 1.493 10 0 BDAELO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000230647510 357544746 /nfs/dbraw/zinc/54/47/46/357544746.db2.gz MPUSIULRXXQIEN-ZJUUUORDSA-N 1 2 239.319 1.548 10 0 BDAELO c1n[nH]cc1[C@@H]1CCCC[N@H+]1Cc1ncccn1 ZINC000192105785 357823196 /nfs/dbraw/zinc/82/31/96/357823196.db2.gz PGZRTGVASBFHIJ-LBPRGKRZSA-N 1 2 243.314 1.927 10 0 BDAELO c1n[nH]cc1[C@@H]1CCCC[N@@H+]1Cc1ncccn1 ZINC000192105785 357823199 /nfs/dbraw/zinc/82/31/99/357823199.db2.gz PGZRTGVASBFHIJ-LBPRGKRZSA-N 1 2 243.314 1.927 10 0 BDAELO NC(=O)c1ccc(F)c(C[NH2+]Cc2ccco2)c1 ZINC000020056693 181297784 /nfs/dbraw/zinc/29/77/84/181297784.db2.gz ODAHTHCYORGSLE-UHFFFAOYSA-N 1 2 248.257 1.807 10 0 BDAELO O=C(NCCC1CC1)[C@@H]1CCCn2cc[nH+]c21 ZINC000176468235 134291867 /nfs/dbraw/zinc/29/18/67/134291867.db2.gz BKGVADHWIMPEMM-LLVKDONJSA-N 1 2 233.315 1.677 10 0 BDAELO CNc1nc(N2CCC2)c(Br)c[nH+]1 ZINC000306151493 358917087 /nfs/dbraw/zinc/91/70/87/358917087.db2.gz DJXNJBRWUFANSC-UHFFFAOYSA-N 1 2 243.108 1.491 10 0 BDAELO C[C@H]1C[N@H+](C)CCN1[C@H]1CCCCC1=O ZINC000300357148 358970558 /nfs/dbraw/zinc/97/05/58/358970558.db2.gz VHZJDUUFJDWSQH-QWRGUYRKSA-N 1 2 210.321 1.134 10 0 BDAELO C[C@H]1C[N@@H+](C)CCN1[C@H]1CCCCC1=O ZINC000300357148 358970562 /nfs/dbraw/zinc/97/05/62/358970562.db2.gz VHZJDUUFJDWSQH-QWRGUYRKSA-N 1 2 210.321 1.134 10 0 BDAELO Cc1cc(N[C@@H]2CCCC[C@@H]2CO)nc[nH+]1 ZINC000231143464 358994875 /nfs/dbraw/zinc/99/48/75/358994875.db2.gz HSOSXHLBXDHNOF-GHMZBOCLSA-N 1 2 221.304 1.748 10 0 BDAELO COC[C@@H](C)[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000247201194 359200832 /nfs/dbraw/zinc/20/08/32/359200832.db2.gz CAPQRFPIWWYKPS-NXEZZACHSA-N 1 2 242.344 1.551 10 0 BDAELO COC[C@@H](C)[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000247201194 359200836 /nfs/dbraw/zinc/20/08/36/359200836.db2.gz CAPQRFPIWWYKPS-NXEZZACHSA-N 1 2 242.344 1.551 10 0 BDAELO C[C@@H](O)[C@H](C)Nc1cc(N)cc(Cl)[nH+]1 ZINC000306210245 359303202 /nfs/dbraw/zinc/30/32/02/359303202.db2.gz GMCJDNAQDZEKCW-NTSWFWBYSA-N 1 2 215.684 1.498 10 0 BDAELO Cc1nnsc1[C@H]([NH3+])c1cscn1 ZINC000306312676 359594152 /nfs/dbraw/zinc/59/41/52/359594152.db2.gz NUAQPIYPGZLPAA-ZCFIWIBFSA-N 1 2 212.303 1.351 10 0 BDAELO O=C(c1ccsn1)[C@H]1CSCC[NH2+]1 ZINC000306413247 359823530 /nfs/dbraw/zinc/82/35/30/359823530.db2.gz SDMNTEUTJUXHEL-SSDOTTSWSA-N 1 2 214.315 1.031 10 0 BDAELO CC(C)c1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC000088357645 359948924 /nfs/dbraw/zinc/94/89/24/359948924.db2.gz SCMXJHMMMFXPPN-ZDUSSCGKSA-N 1 2 248.326 1.737 10 0 BDAELO CCN1C(=O)[C@H](C)[NH2+][C@@]12CCCSC2 ZINC000306545951 360415367 /nfs/dbraw/zinc/41/53/67/360415367.db2.gz BBLPJGLPHIORGR-WPRPVWTQSA-N 1 2 214.334 1.050 10 0 BDAELO Cc1nc([C@H]([NH3+])c2cnsn2)cs1 ZINC000306553906 360426677 /nfs/dbraw/zinc/42/66/77/360426677.db2.gz KYGFHFJEJHIWKV-SSDOTTSWSA-N 1 2 212.303 1.351 10 0 BDAELO c1csc([C@@H]2[NH2+]CCc3nc[nH]c32)n1 ZINC000306584660 360484882 /nfs/dbraw/zinc/48/48/82/360484882.db2.gz RXGQRGNLOMCFQQ-MRVPVSSYSA-N 1 2 206.274 1.101 10 0 BDAELO COC(=O)[C@](C)([NH3+])c1ccc(F)cc1Cl ZINC000070602639 361588952 /nfs/dbraw/zinc/58/89/52/361588952.db2.gz OQAPDGBQHCVZPU-SNVBAGLBSA-N 1 2 231.654 1.826 10 0 BDAELO Cn1ccnc1C[NH2+]Cc1ccccn1 ZINC000006704404 541439463 /nfs/dbraw/zinc/43/94/63/541439463.db2.gz XROCIBCMLDLAPD-UHFFFAOYSA-N 1 2 202.261 1.105 10 0 BDAELO [NH3+]CC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000037712271 181397652 /nfs/dbraw/zinc/39/76/52/181397652.db2.gz WIIHYNOPIXIBFD-UHFFFAOYSA-N 1 2 218.222 1.754 10 0 BDAELO COC(=O)c1cnc(-n2c[nH+]c(C)c2)c(OC)c1 ZINC000116825900 370839329 /nfs/dbraw/zinc/83/93/29/370839329.db2.gz CULMATAYSZZFGL-UHFFFAOYSA-N 1 2 247.254 1.371 10 0 BDAELO CCOC(=O)c1cccn2c(N)c(C)[nH+]c12 ZINC000081200426 368337055 /nfs/dbraw/zinc/33/70/55/368337055.db2.gz PSZFUBBVXZQUAA-UHFFFAOYSA-N 1 2 219.244 1.402 10 0 BDAELO CC(C)(C)OC(=O)[C@@H]([NH3+])CBr ZINC000082073642 368337403 /nfs/dbraw/zinc/33/74/03/368337403.db2.gz BLDQEEPGDVRCQC-YFKPBYRVSA-N 1 2 224.098 1.050 10 0 BDAELO COC(=O)COc1ccc[nH+]c1N1CCCC1 ZINC000224252002 368366191 /nfs/dbraw/zinc/36/61/91/368366191.db2.gz WRGLKRKQPPJNMB-UHFFFAOYSA-N 1 2 236.271 1.234 10 0 BDAELO Nc1c(NCCO)ccc2[nH+]cccc12 ZINC000037377635 181670762 /nfs/dbraw/zinc/67/07/62/181670762.db2.gz HEZVEWBEQFBYIA-UHFFFAOYSA-N 1 2 203.245 1.221 10 0 BDAELO Nc1cccc(NC(=O)NCCn2cc[nH+]c2)c1 ZINC000042542946 181746316 /nfs/dbraw/zinc/74/63/16/181746316.db2.gz XFFHDMHNIDYDHF-UHFFFAOYSA-N 1 2 245.286 1.287 10 0 BDAELO Clc1nc(Cl)nc(NCc2[nH]cc[nH+]2)n1 ZINC000229308952 372140694 /nfs/dbraw/zinc/14/06/94/372140694.db2.gz RDTSJTRLHOTTJH-UHFFFAOYSA-N 1 2 245.073 1.514 10 0 BDAELO Cn1cc[nH+]c1CNC1N=NC(=S)S1 ZINC000070853923 374206665 /nfs/dbraw/zinc/20/66/65/374206665.db2.gz BIOSSXZJZXRARM-UHFFFAOYSA-N 1 2 227.318 1.172 10 0 BDAELO O=c1ccc2c(ccnc2-n2cc[nH+]c2)[nH]1 ZINC000027526388 183000702 /nfs/dbraw/zinc/00/07/02/183000702.db2.gz HJLVUXNRXXEMHU-UHFFFAOYSA-N 1 2 212.212 1.109 10 0 BDAELO OCC[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000127232811 183095546 /nfs/dbraw/zinc/09/55/46/183095546.db2.gz VUMUOFOGEJRPAM-JTQLQIEISA-N 1 2 231.299 1.772 10 0 BDAELO OCc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000083343947 183166684 /nfs/dbraw/zinc/16/66/84/183166684.db2.gz PNMDZENXJCRTIN-UHFFFAOYSA-N 1 2 203.245 1.514 10 0 BDAELO O[C@H](Cn1cc[nH+]c1)c1ccc2c(c1)OCCO2 ZINC000041297043 183228292 /nfs/dbraw/zinc/22/82/92/183228292.db2.gz BGEKZAAXLXKTDC-LLVKDONJSA-N 1 2 246.266 1.388 10 0 BDAELO O=C1NCCC[C@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000225334039 134354864 /nfs/dbraw/zinc/35/48/64/134354864.db2.gz VLZMEHKOPLKOKQ-ZCFIWIBFSA-N 1 2 245.735 1.165 10 0 BDAELO CCc1ccc(C(=O)C[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC000050152671 383937368 /nfs/dbraw/zinc/93/73/68/383937368.db2.gz ZPVRCLWZHYHFMX-CQSZACIVSA-N 1 2 247.338 1.888 10 0 BDAELO CCc1ccc(C(=O)C[N@H+]2CCC[C@@H](O)C2)cc1 ZINC000050152671 383937375 /nfs/dbraw/zinc/93/73/75/383937375.db2.gz ZPVRCLWZHYHFMX-CQSZACIVSA-N 1 2 247.338 1.888 10 0 BDAELO Cc1nc(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)no1 ZINC000116314452 384127655 /nfs/dbraw/zinc/12/76/55/384127655.db2.gz PWZGAGNHFLJCOL-SNVBAGLBSA-N 1 2 247.302 1.101 10 0 BDAELO Cc1nc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)no1 ZINC000116314452 384127661 /nfs/dbraw/zinc/12/76/61/384127661.db2.gz PWZGAGNHFLJCOL-SNVBAGLBSA-N 1 2 247.302 1.101 10 0 BDAELO CC[S@](=O)Cc1[nH+]ccn1C(C)C ZINC000133299193 384240028 /nfs/dbraw/zinc/24/00/28/384240028.db2.gz YHILATUCDGHUMQ-CYBMUJFWSA-N 1 2 200.307 1.733 10 0 BDAELO OC[C@@H]1CCCCN1c1[nH+]cccc1O ZINC000095078474 384355257 /nfs/dbraw/zinc/35/52/57/384355257.db2.gz HJQYMABDCPQEJT-VIFPVBQESA-N 1 2 208.261 1.138 10 0 BDAELO COC(=O)[C@H]1CC[C@@H](c2ccc(OC)cc2)C[NH2+]1 ZINC000079026534 384479680 /nfs/dbraw/zinc/47/96/80/384479680.db2.gz BKOPITCLRPWJKV-DGCLKSJQSA-N 1 2 249.310 1.704 10 0 BDAELO Nc1snnc1C[N@@H+]1CCCSCC1 ZINC000050817835 384647394 /nfs/dbraw/zinc/64/73/94/384647394.db2.gz CRCOBMLIFPVOML-UHFFFAOYSA-N 1 2 230.362 1.059 10 0 BDAELO Nc1snnc1C[N@H+]1CCCSCC1 ZINC000050817835 384647401 /nfs/dbraw/zinc/64/74/01/384647401.db2.gz CRCOBMLIFPVOML-UHFFFAOYSA-N 1 2 230.362 1.059 10 0 BDAELO Cc1nc([C@@H]2C[N@H+](CC(C)C)CCO2)n[nH]1 ZINC000173657266 384705971 /nfs/dbraw/zinc/70/59/71/384705971.db2.gz STESZTAAIWWTMC-JTQLQIEISA-N 1 2 224.308 1.142 10 0 BDAELO Cc1nc([C@@H]2C[N@@H+](CC(C)C)CCO2)n[nH]1 ZINC000173657266 384705976 /nfs/dbraw/zinc/70/59/76/384705976.db2.gz STESZTAAIWWTMC-JTQLQIEISA-N 1 2 224.308 1.142 10 0 BDAELO C[C@H]1Oc2c(cccc2F)[C@@H]1[NH2+]C1COC1 ZINC000309954435 384741235 /nfs/dbraw/zinc/74/12/35/384741235.db2.gz HOXUZDWYALFALG-RDDDGLTNSA-N 1 2 223.247 1.636 10 0 BDAELO COC(=O)[C@@]1(C)CCC[N@@H+]1C/C=C/Cl ZINC000186370940 384838391 /nfs/dbraw/zinc/83/83/91/384838391.db2.gz ZAZBYDDDZYVOJC-DFVUYQKZSA-N 1 2 217.696 1.766 10 0 BDAELO COC(=O)[C@@]1(C)CCC[N@H+]1C/C=C/Cl ZINC000186370940 384838397 /nfs/dbraw/zinc/83/83/97/384838397.db2.gz ZAZBYDDDZYVOJC-DFVUYQKZSA-N 1 2 217.696 1.766 10 0 BDAELO [NH3+]Cc1nnc(COc2ccc(Cl)cc2)[nH]1 ZINC000072236503 384842440 /nfs/dbraw/zinc/84/24/40/384842440.db2.gz QJZOGROLCXEURP-UHFFFAOYSA-N 1 2 238.678 1.496 10 0 BDAELO CCOC(=O)[C@H](c1cccc(F)c1)[NH+](C)C ZINC000259339586 384845157 /nfs/dbraw/zinc/84/51/57/384845157.db2.gz ZCGLQOFTBBGVSP-NSHDSACASA-N 1 2 225.263 1.992 10 0 BDAELO Cc1[nH]ncc1C[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000128547177 385048676 /nfs/dbraw/zinc/04/86/76/385048676.db2.gz CWBKQHRIAJWASS-NSHDSACASA-N 1 2 245.330 1.441 10 0 BDAELO Cc1[nH]ncc1C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000128547177 385048686 /nfs/dbraw/zinc/04/86/86/385048686.db2.gz CWBKQHRIAJWASS-NSHDSACASA-N 1 2 245.330 1.441 10 0 BDAELO C[N@H+](Cc1cccnc1)C1CN(C(=O)C2CC2)C1 ZINC000257175518 385127954 /nfs/dbraw/zinc/12/79/54/385127954.db2.gz BBVWUZSAMZNWOW-UHFFFAOYSA-N 1 2 245.326 1.134 10 0 BDAELO C[N@@H+](Cc1cccnc1)C1CN(C(=O)C2CC2)C1 ZINC000257175518 385127959 /nfs/dbraw/zinc/12/79/59/385127959.db2.gz BBVWUZSAMZNWOW-UHFFFAOYSA-N 1 2 245.326 1.134 10 0 BDAELO COCC[S@@](=O)Cc1[nH+]ccn1C(C)C ZINC000177120021 385184653 /nfs/dbraw/zinc/18/46/53/385184653.db2.gz GTSBNMIIXLSMKP-OAHLLOKOSA-N 1 2 230.333 1.359 10 0 BDAELO Cc1nccc(N2CCC[C@@H]2Cn2cc[nH+]c2)n1 ZINC000176968396 385187211 /nfs/dbraw/zinc/18/72/11/385187211.db2.gz YQNAOTNZGKWLQT-GFCCVEGCSA-N 1 2 243.314 1.651 10 0 BDAELO Cn1cc([C@H]2CCC[N@@H+]2Cc2cc[nH]n2)cn1 ZINC000131965731 385370738 /nfs/dbraw/zinc/37/07/38/385370738.db2.gz PVUVQYGTYHIPKJ-GFCCVEGCSA-N 1 2 231.303 1.480 10 0 BDAELO Cn1cc([C@H]2CCC[N@H+]2Cc2cc[nH]n2)cn1 ZINC000131965731 385370744 /nfs/dbraw/zinc/37/07/44/385370744.db2.gz PVUVQYGTYHIPKJ-GFCCVEGCSA-N 1 2 231.303 1.480 10 0 BDAELO CC(C)(C)OC(=O)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000095932363 385734150 /nfs/dbraw/zinc/73/41/50/385734150.db2.gz MCQKSYOEVWDBKH-SECBINFHSA-N 1 2 237.303 1.723 10 0 BDAELO Cc1ccc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)cn1 ZINC000335061732 386027654 /nfs/dbraw/zinc/02/76/54/386027654.db2.gz NZEYICFHNICCQL-SECBINFHSA-N 1 2 241.241 1.326 10 0 BDAELO CCCc1nc(C[N@@H+]2C[C@H](O)CC[C@@H]2C)no1 ZINC000399470214 386569858 /nfs/dbraw/zinc/56/98/58/386569858.db2.gz MIOOPGQALXGHPY-VHSXEESVSA-N 1 2 239.319 1.367 10 0 BDAELO CCCc1nc(C[N@H+]2C[C@H](O)CC[C@@H]2C)no1 ZINC000399470214 386569862 /nfs/dbraw/zinc/56/98/62/386569862.db2.gz MIOOPGQALXGHPY-VHSXEESVSA-N 1 2 239.319 1.367 10 0 BDAELO CSC[C@H](C)N(C)c1cc(C)[nH+]cn1 ZINC000301341732 386836404 /nfs/dbraw/zinc/83/64/04/386836404.db2.gz QPTDRODCWHEZFD-VIFPVBQESA-N 1 2 211.334 1.973 10 0 BDAELO C[C@H]1CCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000230171954 387240980 /nfs/dbraw/zinc/24/09/80/387240980.db2.gz NYWVSGLVIJYKQL-VHSXEESVSA-N 1 2 221.304 1.505 10 0 BDAELO Cc1cc(NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)nc[nH+]1 ZINC000359931549 387195642 /nfs/dbraw/zinc/19/56/42/387195642.db2.gz KYIHUGZZEVWVTN-ZSBIGDGJSA-N 1 2 235.331 1.822 10 0 BDAELO CC[C@@H](C)CN1CC[NH+](C[C@H](O)CC)CC1 ZINC000121229540 387316902 /nfs/dbraw/zinc/31/69/02/387316902.db2.gz PMVDGIPPFVWYGM-CHWSQXEVSA-N 1 2 228.380 1.421 10 0 BDAELO CC(C)(C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114858942 387297491 /nfs/dbraw/zinc/29/74/91/387297491.db2.gz VCXRSVNVKHUTFQ-LLVKDONJSA-N 1 2 240.347 1.012 10 0 BDAELO CC(C)(C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114858942 387297498 /nfs/dbraw/zinc/29/74/98/387297498.db2.gz VCXRSVNVKHUTFQ-LLVKDONJSA-N 1 2 240.347 1.012 10 0 BDAELO Cn1c(Cl)ncc1[C@@H]([NH3+])C(C)(F)F ZINC000575506724 387372129 /nfs/dbraw/zinc/37/21/29/387372129.db2.gz HSFJNZPSUXBJBE-RXMQYKEDSA-N 1 2 209.627 1.729 10 0 BDAELO Cn1c2ccccc2[nH+]c1N1CC[C@@H](CCO)C1 ZINC000127232310 387708494 /nfs/dbraw/zinc/70/84/94/387708494.db2.gz OAVCJATYZBHSGO-NSHDSACASA-N 1 2 245.326 1.782 10 0 BDAELO Cn1c[nH+]c2c1CCN(C(=O)CC(C)(C)C)C2 ZINC000377486262 387720710 /nfs/dbraw/zinc/72/07/10/387720710.db2.gz FLFVUMKGLFWKAA-UHFFFAOYSA-N 1 2 235.331 1.741 10 0 BDAELO CCCCCC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000194634932 387887722 /nfs/dbraw/zinc/88/77/22/387887722.db2.gz LWKMKUDPPZBAAN-LLVKDONJSA-N 1 2 228.336 1.014 10 0 BDAELO CCCCCC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000194634932 387887727 /nfs/dbraw/zinc/88/77/27/387887727.db2.gz LWKMKUDPPZBAAN-LLVKDONJSA-N 1 2 228.336 1.014 10 0 BDAELO CC(C)n1nnnc1C[N@H+](C)CCC1CC1 ZINC000135277523 388489305 /nfs/dbraw/zinc/48/93/05/388489305.db2.gz JPIQGBGAZXQVGJ-UHFFFAOYSA-N 1 2 223.324 1.486 10 0 BDAELO CC(C)n1nnnc1C[N@@H+](C)CCC1CC1 ZINC000135277523 388489307 /nfs/dbraw/zinc/48/93/07/388489307.db2.gz JPIQGBGAZXQVGJ-UHFFFAOYSA-N 1 2 223.324 1.486 10 0 BDAELO C[C@@H]1COC[C@H](C)[N@H+]1C[C@H](O)CC(F)(F)F ZINC000189377264 388632163 /nfs/dbraw/zinc/63/21/63/388632163.db2.gz XTZAXUHYSXVNHH-HRDYMLBCSA-N 1 2 241.253 1.409 10 0 BDAELO C[C@@H]1COC[C@H](C)[N@@H+]1C[C@H](O)CC(F)(F)F ZINC000189377264 388632166 /nfs/dbraw/zinc/63/21/66/388632166.db2.gz XTZAXUHYSXVNHH-HRDYMLBCSA-N 1 2 241.253 1.409 10 0 BDAELO COC(=O)[C@@H](CC(C)C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000226444766 388719406 /nfs/dbraw/zinc/71/94/06/388719406.db2.gz SABJTDJAXHWLDK-GMTAPVOTSA-N 1 2 229.320 1.341 10 0 BDAELO Cn1c[nH+]cc1CN1CCCc2c(N)cccc21 ZINC000091278734 132238003 /nfs/dbraw/zinc/23/80/03/132238003.db2.gz IWFKODCKMMJSRH-UHFFFAOYSA-N 1 2 242.326 1.955 10 0 BDAELO Cc1nc(N2CCC[C@H](O)[C@H]2C)cc[nH+]1 ZINC000294920369 132307824 /nfs/dbraw/zinc/30/78/24/132307824.db2.gz GOGGWJNDURSACU-SCZZXKLOSA-N 1 2 207.277 1.135 10 0 BDAELO CCOc1ccccc1N1CC[NH2+]CC1=O ZINC000016944310 132323340 /nfs/dbraw/zinc/32/33/40/132323340.db2.gz HGDQNCIYDUYHDB-UHFFFAOYSA-N 1 2 220.272 1.022 10 0 BDAELO CC[NH+]1CCN(c2ccc(C=O)cc2F)CC1 ZINC000020079151 132329944 /nfs/dbraw/zinc/32/99/44/132329944.db2.gz IXWFDQGELCHJDM-UHFFFAOYSA-N 1 2 236.290 1.780 10 0 BDAELO c1cn(-c2nccc(N3CCCCC3)n2)c[nH+]1 ZINC000033892347 132336147 /nfs/dbraw/zinc/33/61/47/132336147.db2.gz PLXWWLGCFFTEPE-UHFFFAOYSA-N 1 2 229.287 1.653 10 0 BDAELO CCCCC[N@@H+]1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173669652 134276174 /nfs/dbraw/zinc/27/61/74/134276174.db2.gz GUNYDZDDSYFGPQ-NSHDSACASA-N 1 2 238.335 1.677 10 0 BDAELO CCCCC[N@H+]1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173669652 134276175 /nfs/dbraw/zinc/27/61/75/134276175.db2.gz GUNYDZDDSYFGPQ-NSHDSACASA-N 1 2 238.335 1.677 10 0 BDAELO Cc1cnc([C@H](C)[NH2+]CC(=O)NC(C)C)o1 ZINC000220896345 134313208 /nfs/dbraw/zinc/31/32/08/134313208.db2.gz SMLOGMLCKZFFKY-VIFPVBQESA-N 1 2 225.292 1.158 10 0 BDAELO CO[C@H](C)C[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000248410336 135006210 /nfs/dbraw/zinc/00/62/10/135006210.db2.gz DDQTYFXOXNBQRA-ZJUUUORDSA-N 1 2 224.308 1.367 10 0 BDAELO CO[C@H](C)C[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000248410336 135006212 /nfs/dbraw/zinc/00/62/12/135006212.db2.gz DDQTYFXOXNBQRA-ZJUUUORDSA-N 1 2 224.308 1.367 10 0 BDAELO C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)NCC1CCC1 ZINC000077369018 135063491 /nfs/dbraw/zinc/06/34/91/135063491.db2.gz RNUDSCLNPNBAGE-PHIMTYICSA-N 1 2 240.347 1.012 10 0 BDAELO C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)NCC1CCC1 ZINC000077369018 135063493 /nfs/dbraw/zinc/06/34/93/135063493.db2.gz RNUDSCLNPNBAGE-PHIMTYICSA-N 1 2 240.347 1.012 10 0 BDAELO CCC[C@H]([NH2+][C@@H]1CCO[C@H]1C)C(=O)OCC ZINC000251363572 135069050 /nfs/dbraw/zinc/06/90/50/135069050.db2.gz SPUGVSDBUCEWBY-AXFHLTTASA-N 1 2 229.320 1.485 10 0 BDAELO O=C(CNc1ccccc1)NCc1[nH]cc[nH+]1 ZINC000080626003 135382928 /nfs/dbraw/zinc/38/29/28/135382928.db2.gz ZUWMBNCMTQFIKT-UHFFFAOYSA-N 1 2 230.271 1.138 10 0 BDAELO CCn1cc[nH+]c1CSC[C@H](C)C(=O)OC ZINC000078820128 135395953 /nfs/dbraw/zinc/39/59/53/135395953.db2.gz QEPONMCWMJHLLR-VIFPVBQESA-N 1 2 242.344 1.945 10 0 BDAELO c1ccc(C[NH2+]Cc2cnccn2)nc1 ZINC000054765526 398039323 /nfs/dbraw/zinc/03/93/23/398039323.db2.gz WZRGTDYOHNIYGY-UHFFFAOYSA-N 1 2 200.245 1.161 10 0 BDAELO Cc1nnsc1[C@@H]1[NH2+][C@@H](C)CS1 ZINC000307027871 397974619 /nfs/dbraw/zinc/97/46/19/397974619.db2.gz MGLSBQORROIABI-MHTLYPKNSA-N 1 2 201.320 1.570 10 0 BDAELO CC(C)NC(=O)CSc1ccc(N)[nH+]c1 ZINC000037192639 167063439 /nfs/dbraw/zinc/06/34/39/167063439.db2.gz AINLQFHWIKTQJY-UHFFFAOYSA-N 1 2 225.317 1.281 10 0 BDAELO CC(C)NC(=O)[C@@H](C)Sc1ccc(N)[nH+]c1 ZINC000037192545 167080784 /nfs/dbraw/zinc/08/07/84/167080784.db2.gz VGNUTYZJYXNERT-MRVPVSSYSA-N 1 2 239.344 1.669 10 0 BDAELO CC(C)[NH2+]Cc1noc(C2CCOCC2)n1 ZINC000061673828 167123148 /nfs/dbraw/zinc/12/31/48/167123148.db2.gz MKRALAGXZRMSAA-UHFFFAOYSA-N 1 2 225.292 1.462 10 0 BDAELO CC(C)(C)N1CC[NH2+][C@H](c2ccc(N)nc2)C1 ZINC000616634300 411240202 /nfs/dbraw/zinc/24/02/02/411240202.db2.gz QKPZNCONGQYKMN-NSHDSACASA-N 1 2 234.347 1.409 10 0 BDAELO CC[N@@H+]1C[C@H]([NH2+]C2CCSCC2)[C@@H](C)C1 ZINC000336773368 170035853 /nfs/dbraw/zinc/03/58/53/170035853.db2.gz YOVWBIYHLOKCJX-JQWIXIFHSA-N 1 2 228.405 1.812 10 0 BDAELO CC[NH2+][C@]1(C(=O)OC)CCCSC1 ZINC000061590493 170170460 /nfs/dbraw/zinc/17/04/60/170170460.db2.gz MHYIHPPYIATMJD-SECBINFHSA-N 1 2 203.307 1.035 10 0 BDAELO CCNc1cc[nH+]c(C2CCOCC2)n1 ZINC000052177259 170175387 /nfs/dbraw/zinc/17/53/87/170175387.db2.gz FZTCIRYXGOXCKK-UHFFFAOYSA-N 1 2 207.277 1.802 10 0 BDAELO CCNc1[nH+]cccc1Cn1ncccc1=O ZINC000061404897 170178636 /nfs/dbraw/zinc/17/86/36/170178636.db2.gz IAWCDZBNGDUCKT-UHFFFAOYSA-N 1 2 230.271 1.118 10 0 BDAELO CCOC(=O)[C@@](C)([NH3+])c1ccc(OC)c(F)c1 ZINC000037514839 170261904 /nfs/dbraw/zinc/26/19/04/170261904.db2.gz PETQHIZZICMKSX-LBPRGKRZSA-N 1 2 241.262 1.571 10 0 BDAELO CCOC(=O)c1c2c(c[nH+]c1N)CCC2 ZINC000039086927 170289064 /nfs/dbraw/zinc/28/90/64/170289064.db2.gz HRVQVXCPHVRJIK-UHFFFAOYSA-N 1 2 206.245 1.329 10 0 BDAELO CCOCC[N@H+](CC)Cc1nnnn1C(C)C ZINC000107680291 170396470 /nfs/dbraw/zinc/39/64/70/170396470.db2.gz DAOFMDWCHVUAOO-UHFFFAOYSA-N 1 2 241.339 1.112 10 0 BDAELO CCOCC[N@@H+](CC)Cc1nnnn1C(C)C ZINC000107680291 170396472 /nfs/dbraw/zinc/39/64/72/170396472.db2.gz DAOFMDWCHVUAOO-UHFFFAOYSA-N 1 2 241.339 1.112 10 0 BDAELO CCOC(=O)N1CC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616610685 411863109 /nfs/dbraw/zinc/86/31/09/411863109.db2.gz SZDGLIPWNBBKFG-JTQLQIEISA-N 1 2 235.287 1.610 10 0 BDAELO CCOC(=O)N1CCC[C@@H]1c1ccc(N)[nH+]c1 ZINC000616607634 411863658 /nfs/dbraw/zinc/86/36/58/411863658.db2.gz WDQJGKZFFSABHK-SNVBAGLBSA-N 1 2 235.287 1.957 10 0 BDAELO COC(=O)N1CCC[C@H](c2ccc(N)[nH+]c2)CC1 ZINC000616603592 411908612 /nfs/dbraw/zinc/90/86/12/411908612.db2.gz ZATMFJJLVOOHEO-JTQLQIEISA-N 1 2 249.314 2.000 10 0 BDAELO CCc1nnc([C@@H]([NH2+]C)c2ccccc2)o1 ZINC000050617989 172065232 /nfs/dbraw/zinc/06/52/32/172065232.db2.gz QWEOFRBQOGYBNW-NSHDSACASA-N 1 2 217.272 1.941 10 0 BDAELO CCn1cc(Cn2cc[nH+]c2[C@H]2CCOC2)cn1 ZINC000071745210 172178105 /nfs/dbraw/zinc/17/81/05/172178105.db2.gz WMMWYYHXJANZOG-LBPRGKRZSA-N 1 2 246.314 1.652 10 0 BDAELO CCn1cc[nH+]c1[C@H](C)S(=O)(=O)NC(C)C ZINC000095091269 172230036 /nfs/dbraw/zinc/23/00/36/172230036.db2.gz JSCAIKJCLNIYPN-VIFPVBQESA-N 1 2 245.348 1.292 10 0 BDAELO CCn1ccnc1[C@H]([NH2+]C)c1ccco1 ZINC000041048699 172230688 /nfs/dbraw/zinc/23/06/88/172230688.db2.gz BREAZRAETBXBGX-SNVBAGLBSA-N 1 2 205.261 1.805 10 0 BDAELO CNC(=O)[C@@H](C)Nc1ccc([NH+](C)C)cc1 ZINC000035164414 173295550 /nfs/dbraw/zinc/29/55/50/173295550.db2.gz UJUGTUMASZFOSI-SECBINFHSA-N 1 2 221.304 1.299 10 0 BDAELO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000042560278 173302862 /nfs/dbraw/zinc/30/28/62/173302862.db2.gz CJWRZCICXPVXCC-YUMQZZPRSA-N 1 2 242.269 1.750 10 0 BDAELO CNC(=O)[C@H](C)Nc1ccc2cc(N)ccc2[nH+]1 ZINC000042561266 173304167 /nfs/dbraw/zinc/30/41/67/173304167.db2.gz LJUDZRMLGPXVJA-QMMMGPOBSA-N 1 2 244.298 1.363 10 0 BDAELO COCCC[N@@H+]1CCc2cc(N)ccc21 ZINC000037753915 174233231 /nfs/dbraw/zinc/23/32/31/174233231.db2.gz DUVHCAOOMAPUEX-UHFFFAOYSA-N 1 2 206.289 1.668 10 0 BDAELO COCCC[N@H+]1CCc2cc(N)ccc21 ZINC000037753915 174233234 /nfs/dbraw/zinc/23/32/34/174233234.db2.gz DUVHCAOOMAPUEX-UHFFFAOYSA-N 1 2 206.289 1.668 10 0 BDAELO COc1cc2c(c(OC)c1OC)C=[NH+]CC2 ZINC000008472508 175020866 /nfs/dbraw/zinc/02/08/66/175020866.db2.gz SVIDDEARBPWMLP-UHFFFAOYSA-N 1 2 221.256 1.687 10 0 BDAELO COc1ccc(C(N)=O)cc1NCc1[nH]cc[nH+]1 ZINC000049715322 175070284 /nfs/dbraw/zinc/07/02/84/175070284.db2.gz HEAKQQGEMFAFJA-UHFFFAOYSA-N 1 2 246.270 1.129 10 0 BDAELO COc1cccc(C[NH+]2[C@@H](C)COC[C@@H]2C)n1 ZINC000172668344 175261091 /nfs/dbraw/zinc/26/10/91/175261091.db2.gz RQGBBMBTAFLQMR-QWRGUYRKSA-N 1 2 236.315 1.699 10 0 BDAELO COc1ccccc1C(=O)C[NH+]1CCC(O)CC1 ZINC000050132286 175316414 /nfs/dbraw/zinc/31/64/14/175316414.db2.gz NPYTVYPQCZYXAG-UHFFFAOYSA-N 1 2 249.310 1.335 10 0 BDAELO COc1ccccc1[C@H](O)C[NH+]1CCOCC1 ZINC000019784988 175354325 /nfs/dbraw/zinc/35/43/25/175354325.db2.gz JSCQDBJRIPHOLZ-GFCCVEGCSA-N 1 2 237.299 1.061 10 0 BDAELO C[C@@H](O)[C@H]([NH3+])c1nc(Cc2ccccc2)no1 ZINC000021519754 175996106 /nfs/dbraw/zinc/99/61/06/175996106.db2.gz JQKZJRUUWPAQAZ-KCJUWKMLSA-N 1 2 233.271 1.041 10 0 BDAELO C[C@H]1C[NH+](CN2CCCCC2=O)C[C@H](C)O1 ZINC000033380918 177256059 /nfs/dbraw/zinc/25/60/59/177256059.db2.gz LADXOBIJTKLILR-QWRGUYRKSA-N 1 2 226.320 1.066 10 0 BDAELO C[C@H]1C[N@H+](Cc2csc(N)n2)CC(C)(C)O1 ZINC000045694013 177270534 /nfs/dbraw/zinc/27/05/34/177270534.db2.gz XQJCVSUEKOAVMU-QMMMGPOBSA-N 1 2 241.360 1.725 10 0 BDAELO C[C@H]1C[N@@H+](Cc2csc(N)n2)CC(C)(C)O1 ZINC000045694013 177270536 /nfs/dbraw/zinc/27/05/36/177270536.db2.gz XQJCVSUEKOAVMU-QMMMGPOBSA-N 1 2 241.360 1.725 10 0 BDAELO C[C@H]1COC[C@H](C)[NH+]1Cc1ccnn1C 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522010063 /nfs/dbraw/zinc/01/00/63/522010063.db2.gz FXSMLGRFTQQPPQ-SECBINFHSA-N 1 2 214.215 1.053 10 0 BDAELO Cc1nc([C@@H]([NH3+])c2cc(F)c(F)c(F)c2)no1 ZINC000062719996 527037137 /nfs/dbraw/zinc/03/71/37/527037137.db2.gz BJUXGFSKQXMZTB-VIFPVBQESA-N 1 2 243.188 1.843 10 0 BDAELO CC(C)c1nc(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)no1 ZINC000401965226 528282291 /nfs/dbraw/zinc/28/22/91/528282291.db2.gz SURSMISKBIAAFT-NXEZZACHSA-N 1 2 239.319 1.396 10 0 BDAELO CC(C)c1nc(C[N@H+]2C[C@H](C)C[C@@H](O)C2)no1 ZINC000401965226 528282296 /nfs/dbraw/zinc/28/22/96/528282296.db2.gz SURSMISKBIAAFT-NXEZZACHSA-N 1 2 239.319 1.396 10 0 BDAELO CCNC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000301065149 535407931 /nfs/dbraw/zinc/40/79/31/535407931.db2.gz DMWUEKCDUHAIHW-NSHDSACASA-N 1 2 233.315 1.434 10 0 BDAELO CCOC(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]12 ZINC000146807272 566316761 /nfs/dbraw/zinc/31/67/61/566316761.db2.gz SCGXCPLXQZRYME-HBNTYKKESA-N 1 2 211.305 1.718 10 0 BDAELO Cn1cc([C@@H]2[NH2+]CCc3sccc32)nn1 ZINC000397156850 583097631 /nfs/dbraw/zinc/09/76/31/583097631.db2.gz OWOFWIXIXWHAKR-SNVBAGLBSA-N 1 2 220.301 1.112 10 0 BDAELO C[NH2+][C@H](C)c1ncc(Br)c(=O)[nH]1 ZINC000757122886 582497743 /nfs/dbraw/zinc/49/77/43/582497743.db2.gz YYVWXXNPEILLRP-SCSAIBSYSA-N 1 2 232.081 1.225 10 0 BDAELO CN1CC[C@@]2(C1)[NH2+][C@@H](c1ccco1)CCO2 ZINC000757148751 582532892 /nfs/dbraw/zinc/53/28/92/582532892.db2.gz NUJSUHRVIDYDKG-ZYHUDNBSSA-N 1 2 222.288 1.362 10 0 BDAELO [NH3+][C@@H]1CCC[NH2+][C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000757235643 586443658 /nfs/dbraw/zinc/44/36/58/586443658.db2.gz MIPMEGXZSLJQRF-GHMZBOCLSA-N 1 2 220.272 1.137 10 0 BDAELO COC(=O)c1cc2[nH]c(N)[nH+]c2c(C)c1 ZINC000207923982 589625791 /nfs/dbraw/zinc/62/57/91/589625791.db2.gz JMVXUPPRVZXPBU-UHFFFAOYSA-N 1 2 205.217 1.240 10 0 BDAELO COC[C@H]([NH3+])c1nc(CC(C)(C)C)no1 ZINC000088001149 641224529 /nfs/dbraw/zinc/22/45/29/641224529.db2.gz UBUDUVLRDTZPHU-ZETCQYMHSA-N 1 2 213.281 1.304 10 0 BDAELO O=C(N[C@@H]1CCC[C@@H]1n1cc[nH+]c1)C1CC1 ZINC000070254133 643003167 /nfs/dbraw/zinc/00/31/67/643003167.db2.gz CPCLAFHXGRLUMX-MNOVXSKESA-N 1 2 219.288 1.503 10 0 BDAELO CC[NH2+][C@]1(C(=O)[O-])CC[C@H](n2cc[nH+]c2)C1 ZINC000086626572 644156587 /nfs/dbraw/zinc/15/65/87/644156587.db2.gz JBGVVWPLZWUYCR-GXSJLCMTSA-N 1 2 223.276 1.041 10 0 BDAELO Cc1cc(=O)[nH]c(C[NH2+][C@H](C)c2cnn(C)c2)n1 ZINC000700484279 711994584 /nfs/dbraw/zinc/99/45/84/711994584.db2.gz VQDKXWSGVJMOMM-SECBINFHSA-N 1 2 247.302 1.075 10 0 BDAELO CC(C)(O)C[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000712796485 712449340 /nfs/dbraw/zinc/44/93/40/712449340.db2.gz NNCDOHKPIZDBOQ-SECBINFHSA-N 1 2 241.253 1.411 10 0 BDAELO CC(C)(O)C[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000712796485 712449341 /nfs/dbraw/zinc/44/93/41/712449341.db2.gz NNCDOHKPIZDBOQ-SECBINFHSA-N 1 2 241.253 1.411 10 0 BDAELO CC[C@@H](C(=O)[O-])[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717494004 977902347 /nfs/dbraw/zinc/90/23/47/977902347.db2.gz OKYMVYUIVSXKFI-VWYCJHECSA-N 1 2 226.320 1.018 10 0 BDAELO CC[C@@H](C(=O)[O-])[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717494004 977902351 /nfs/dbraw/zinc/90/23/51/977902351.db2.gz OKYMVYUIVSXKFI-VWYCJHECSA-N 1 2 226.320 1.018 10 0 BDAELO CC[C@@H](C(=O)[O-])[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000717494004 977902353 /nfs/dbraw/zinc/90/23/53/977902353.db2.gz OKYMVYUIVSXKFI-VWYCJHECSA-N 1 2 226.320 1.018 10 0 BDAELO CC[C@@H](C(=O)[O-])[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000717494004 977902358 /nfs/dbraw/zinc/90/23/58/977902358.db2.gz OKYMVYUIVSXKFI-VWYCJHECSA-N 1 2 226.320 1.018 10 0 BDAELO C[N@H+](CCCn1cc[nH+]c1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693028636 976570458 /nfs/dbraw/zinc/57/04/58/976570458.db2.gz GPWHLUNHQJWPGF-PHIMTYICSA-N 1 2 237.303 1.068 10 0 BDAELO C[N@@H+](CCCn1cc[nH+]c1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693028636 976570468 /nfs/dbraw/zinc/57/04/68/976570468.db2.gz GPWHLUNHQJWPGF-PHIMTYICSA-N 1 2 237.303 1.068 10 0 BDAELO CCC[C@](C)([NH2+]Cc1[nH]c(C)[nH+]c1C)C(=O)[O-] ZINC000724781643 978243890 /nfs/dbraw/zinc/24/38/90/978243890.db2.gz WDJFBVKFAPYUHJ-LBPRGKRZSA-N 1 2 239.319 1.760 10 0 BDAELO [NH3+]c1ccc2c(c1)C[C@@H](O)[C@H](C1CC1)N2 ZINC000685963672 538910414 /nfs/dbraw/zinc/91/04/14/538910414.db2.gz VMHLORZEQZTTJI-NEPJUHHUSA-N 1 2 204.273 1.376 10 0 BDAELO C[N@H+](CC(F)(F)CN)C1(C)CCCC1 ZINC000685956423 538902618 /nfs/dbraw/zinc/90/26/18/538902618.db2.gz DHVUYSADUAHMCD-UHFFFAOYSA-N 1 2 206.280 1.845 10 0 BDAELO C[N@@H+](CC(F)(F)CN)C1(C)CCCC1 ZINC000685956423 538902619 /nfs/dbraw/zinc/90/26/19/538902619.db2.gz DHVUYSADUAHMCD-UHFFFAOYSA-N 1 2 206.280 1.845 10 0 BDAELO C[C@H]1CCCC[N@H+](CC(F)(F)CN)C1 ZINC000685956415 538902816 /nfs/dbraw/zinc/90/28/16/538902816.db2.gz AOIFXKBNVPPFPA-VIFPVBQESA-N 1 2 206.280 1.702 10 0 BDAELO C[C@H]1CCCC[N@@H+](CC(F)(F)CN)C1 ZINC000685956415 538902818 /nfs/dbraw/zinc/90/28/18/538902818.db2.gz AOIFXKBNVPPFPA-VIFPVBQESA-N 1 2 206.280 1.702 10 0 BDAELO C/C=C/C[NH2+]CC(F)(F)C(=O)OCC ZINC000685958138 538905659 /nfs/dbraw/zinc/90/56/59/538905659.db2.gz QEBULFXAVCNKDP-HWKANZROSA-N 1 2 207.220 1.351 10 0 BDAELO Cc1cc(N)[nH+]cc1C(=O)OC(C)(C)C ZINC000685959884 538907008 /nfs/dbraw/zinc/90/70/08/538907008.db2.gz ULTNOICDXDLRHA-UHFFFAOYSA-N 1 2 208.261 1.928 10 0 BDAELO CC(C)n1nnnc1C[N@H+]1CCCC(C)(C)C1 ZINC000112702624 398147612 /nfs/dbraw/zinc/14/76/12/398147612.db2.gz MDMMXEQCJLEZIY-UHFFFAOYSA-N 1 2 237.351 1.876 10 0 BDAELO CC(C)n1nnnc1C[N@@H+]1CCCC(C)(C)C1 ZINC000112702624 398147609 /nfs/dbraw/zinc/14/76/09/398147609.db2.gz MDMMXEQCJLEZIY-UHFFFAOYSA-N 1 2 237.351 1.876 10 0 BDAELO Cc1cc([NH3+])ccc1N1CCC[C@@H]1CO ZINC000042433926 178105471 /nfs/dbraw/zinc/10/54/71/178105471.db2.gz DIIMPWNGKUFPAM-LLVKDONJSA-N 1 2 206.289 1.538 10 0 BDAELO Cc1cc([NH3+])ccc1N(CC(N)=O)C1CCCC1 ZINC000042428142 178105591 /nfs/dbraw/zinc/10/55/91/178105591.db2.gz JBZDRAYNYPQCEV-UHFFFAOYSA-N 1 2 247.342 1.812 10 0 BDAELO Cc1cc([NH3+])ccc1N(CC(N)=O)C(C)C ZINC000042428328 178106103 /nfs/dbraw/zinc/10/61/03/178106103.db2.gz IQRPVCJTURWZGO-UHFFFAOYSA-N 1 2 221.304 1.277 10 0 BDAELO Cc1cc(N)ccc1[NH2+]CCc1nncn1C ZINC000104051861 178107185 /nfs/dbraw/zinc/10/71/85/178107185.db2.gz IMVUIURGXITWGV-UHFFFAOYSA-N 1 2 231.303 1.360 10 0 BDAELO Cc1ccc(-c2nc(C[NH+](C)C)no2)c(O)c1 ZINC000091747875 178334642 /nfs/dbraw/zinc/33/46/42/178334642.db2.gz BMLFBMOFJBNQPZ-UHFFFAOYSA-N 1 2 233.271 1.812 10 0 BDAELO CCC(CC)[N@H+](C)c1ccc(N)c(C(N)=O)c1 ZINC000041083758 168368698 /nfs/dbraw/zinc/36/86/98/168368698.db2.gz CPUSDINLVKDDSY-UHFFFAOYSA-N 1 2 235.331 1.993 10 0 BDAELO CCC(CC)[N@@H+](C)c1ccc(N)c(C(N)=O)c1 ZINC000041083758 168368701 /nfs/dbraw/zinc/36/87/01/168368701.db2.gz CPUSDINLVKDDSY-UHFFFAOYSA-N 1 2 235.331 1.993 10 0 BDAELO Cc1ccc(C(=O)C[NH+]2CCC(O)CC2)cc1 ZINC000050132228 178373199 /nfs/dbraw/zinc/37/31/99/178373199.db2.gz OTLNVLRAHXWELJ-UHFFFAOYSA-N 1 2 233.311 1.634 10 0 BDAELO [NH3+]CC[N@@H+]1CC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000616612802 349591432 /nfs/dbraw/zinc/59/14/32/349591432.db2.gz SHFHNSLIJUGMEO-LBPRGKRZSA-N 1 2 234.299 1.133 10 0 BDAELO [NH3+]CC[N@H+]1CC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000616612802 349591435 /nfs/dbraw/zinc/59/14/35/349591435.db2.gz SHFHNSLIJUGMEO-LBPRGKRZSA-N 1 2 234.299 1.133 10 0 BDAELO CCS[C@H]1CC[C@H]([N@@H+]2CCC(=O)C2)C1 ZINC000233826134 342887936 /nfs/dbraw/zinc/88/79/36/342887936.db2.gz KJUGPAZURJNMKC-ONGXEEELSA-N 1 2 213.346 1.935 10 0 BDAELO CCS[C@H]1CC[C@H]([N@H+]2CCC(=O)C2)C1 ZINC000233826134 342887938 /nfs/dbraw/zinc/88/79/38/342887938.db2.gz KJUGPAZURJNMKC-ONGXEEELSA-N 1 2 213.346 1.935 10 0 BDAELO CCN(C)c1nc[nH+]c(NC)c1Br ZINC000233991899 342924408 /nfs/dbraw/zinc/92/44/08/342924408.db2.gz TZOWAVDFLSMTMA-UHFFFAOYSA-N 1 2 245.124 1.737 10 0 BDAELO CCN(C)c1[nH+]cnc(NC)c1Br ZINC000233991899 342924409 /nfs/dbraw/zinc/92/44/09/342924409.db2.gz TZOWAVDFLSMTMA-UHFFFAOYSA-N 1 2 245.124 1.737 10 0 BDAELO CC[C@@H](O)C[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000173721953 346873289 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CCO[NH2+]C1CCC2(CC1)OCCO2 ZINC000134248856 372186253 /nfs/dbraw/zinc/18/62/53/372186253.db2.gz QPHYYILHQGPHAC-UHFFFAOYSA-N 1 2 201.266 1.213 10 0 BDAELO O=C(Cn1cc[nH+]c1)c1ccc(Cl)nc1 ZINC000073157854 182071549 /nfs/dbraw/zinc/07/15/49/182071549.db2.gz AODFOXXSGFJIPK-UHFFFAOYSA-N 1 2 221.647 1.814 10 0 BDAELO O=C(NCCCF)[C@H]1CCCn2cc[nH+]c21 ZINC000161539304 182167598 /nfs/dbraw/zinc/16/75/98/182167598.db2.gz LMUCRJOTOBPXPS-VIFPVBQESA-N 1 2 225.267 1.236 10 0 BDAELO COc1cccc([C@@H]2C[N@H+](C)CCO2)c1 ZINC000143820088 374251852 /nfs/dbraw/zinc/25/18/52/374251852.db2.gz WFOZTIYELMXAGQ-LBPRGKRZSA-N 1 2 207.273 1.698 10 0 BDAELO COc1cccc([C@@H]2C[N@@H+](C)CCO2)c1 ZINC000143820088 374251857 /nfs/dbraw/zinc/25/18/57/374251857.db2.gz WFOZTIYELMXAGQ-LBPRGKRZSA-N 1 2 207.273 1.698 10 0 BDAELO Clc1nsnc1NCCn1cc[nH+]c1 ZINC000042543281 374273507 /nfs/dbraw/zinc/27/35/07/374273507.db2.gz MWGFDQGSZPIABI-UHFFFAOYSA-N 1 2 229.696 1.500 10 0 BDAELO O=C(Nc1c[nH+]c2n1CCCC2)c1ncc[nH]1 ZINC000067563128 182391945 /nfs/dbraw/zinc/39/19/45/182391945.db2.gz CCUDJDWHJBXVBK-UHFFFAOYSA-N 1 2 231.259 1.195 10 0 BDAELO OCCCC[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000171662307 183050310 /nfs/dbraw/zinc/05/03/10/183050310.db2.gz VSBNYWDIKTYJHA-SNVBAGLBSA-N 1 2 242.344 1.289 10 0 BDAELO OCCCC[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000171662307 183050312 /nfs/dbraw/zinc/05/03/12/183050312.db2.gz VSBNYWDIKTYJHA-SNVBAGLBSA-N 1 2 242.344 1.289 10 0 BDAELO OCC[NH2+][C@@H](Cc1ccccc1)C(F)F ZINC000271278704 183079513 /nfs/dbraw/zinc/07/95/13/183079513.db2.gz PVXUHBPDRUDQNC-JTQLQIEISA-N 1 2 215.243 1.445 10 0 BDAELO OCCNc1ccc2cccc(O)c2[nH+]1 ZINC000115102329 183080195 /nfs/dbraw/zinc/08/01/95/183080195.db2.gz HFCAULDSDLIVOM-UHFFFAOYSA-N 1 2 204.229 1.345 10 0 BDAELO CCCC[C@H]([NH2+][C@@H]1CCO[C@H]1C)C(=O)OC ZINC000300006794 169013491 /nfs/dbraw/zinc/01/34/91/169013491.db2.gz AOMLMSIFIFPBIR-AXFHLTTASA-N 1 2 229.320 1.485 10 0 BDAELO Oc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000032014443 183292482 /nfs/dbraw/zinc/29/24/82/183292482.db2.gz MNWPJCNSQUCIEG-UHFFFAOYSA-N 1 2 223.272 1.103 10 0 BDAELO c1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)n[nH]1 ZINC000245546138 183343940 /nfs/dbraw/zinc/34/39/40/183343940.db2.gz UWMIOUFWDIFJJG-VXGBXAGGSA-N 1 2 221.304 1.553 10 0 BDAELO c1cc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)n[nH]1 ZINC000245546138 183343941 /nfs/dbraw/zinc/34/39/41/183343941.db2.gz UWMIOUFWDIFJJG-VXGBXAGGSA-N 1 2 221.304 1.553 10 0 BDAELO CCSCC[NH2+][C@@H](CC(C)C)C(=O)OC ZINC000128919916 170637534 /nfs/dbraw/zinc/63/75/34/170637534.db2.gz VRMJJUIKRJJHNR-JTQLQIEISA-N 1 2 233.377 1.917 10 0 BDAELO CCCOCCOC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000104251540 169308756 /nfs/dbraw/zinc/30/87/56/169308756.db2.gz POLFPXSFMHNRFC-LBPRGKRZSA-N 1 2 237.299 1.656 10 0 BDAELO CCCNc1nc(C)[nH+]c(NCCC)n1 ZINC000002013093 169295585 /nfs/dbraw/zinc/29/55/85/169295585.db2.gz MOGHEJDKKSXTDK-UHFFFAOYSA-N 1 2 209.297 1.824 10 0 BDAELO [NH3+][C@@H](c1c[nH]nn1)c1ccc(Cl)cc1F ZINC000087600262 383854044 /nfs/dbraw/zinc/85/40/44/383854044.db2.gz YZSLDLOHWAPBPQ-SECBINFHSA-N 1 2 226.642 1.645 10 0 BDAELO [NH3+][C@@H](c1cn[nH]n1)c1ccc(Cl)cc1F ZINC000087600262 383854050 /nfs/dbraw/zinc/85/40/50/383854050.db2.gz YZSLDLOHWAPBPQ-SECBINFHSA-N 1 2 226.642 1.645 10 0 BDAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C1CC1)C2 ZINC000112664494 383938953 /nfs/dbraw/zinc/93/89/53/383938953.db2.gz JLSXUJDNLQXIHK-UHFFFAOYSA-N 1 2 247.342 1.838 10 0 BDAELO [NH3+][C@H](c1ccc2[nH]ccc2n1)C(F)(F)CO ZINC000089221346 383949436 /nfs/dbraw/zinc/94/94/36/383949436.db2.gz MGABJUNPYZFVRP-SECBINFHSA-N 1 2 227.214 1.190 10 0 BDAELO C[C@@H]1C[C@@H](O)C[N@H+](Cc2nccn2C(F)F)C1 ZINC000334746511 384566167 /nfs/dbraw/zinc/56/61/67/384566167.db2.gz QYTYDIWFFSESGJ-RKDXNWHRSA-N 1 2 245.273 1.481 10 0 BDAELO C[C@@H]1C[C@@H](O)C[N@@H+](Cc2nccn2C(F)F)C1 ZINC000334746511 384566178 /nfs/dbraw/zinc/56/61/78/384566178.db2.gz QYTYDIWFFSESGJ-RKDXNWHRSA-N 1 2 245.273 1.481 10 0 BDAELO O=C(C[N@H+]1CCCC[C@@H]1CO)c1ccco1 ZINC000050152225 384597387 /nfs/dbraw/zinc/59/73/87/384597387.db2.gz AJTCUJPGNDUUJL-SNVBAGLBSA-N 1 2 223.272 1.309 10 0 BDAELO O=C(C[N@@H+]1CCCC[C@@H]1CO)c1ccco1 ZINC000050152225 384597393 /nfs/dbraw/zinc/59/73/93/384597393.db2.gz AJTCUJPGNDUUJL-SNVBAGLBSA-N 1 2 223.272 1.309 10 0 BDAELO CC(C)(C)OC(=O)[C@H]([NH3+])c1cccnc1 ZINC000098181453 384600918 /nfs/dbraw/zinc/60/09/18/384600918.db2.gz MATGUCBHVPZYNG-SECBINFHSA-N 1 2 208.261 1.423 10 0 BDAELO [NH3+][C@@H](CO)c1cc(Cl)c(O)c(Cl)c1 ZINC000072198424 384815959 /nfs/dbraw/zinc/81/59/59/384815959.db2.gz UGKMKQTWKVZRJJ-ZETCQYMHSA-N 1 2 222.071 1.691 10 0 BDAELO CN(CCC(C)(C)C)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000648201697 384823063 /nfs/dbraw/zinc/82/30/63/384823063.db2.gz ZZPQFNYXZPOEHU-VIFPVBQESA-N 1 2 248.317 1.878 10 0 BDAELO C[C@H]1C[C@H](O)CN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000335240183 384872529 /nfs/dbraw/zinc/87/25/29/384872529.db2.gz VZNVNBNYCKZDSI-UWVGGRQHSA-N 1 2 231.299 1.770 10 0 BDAELO COC[C@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000107286381 384963703 /nfs/dbraw/zinc/96/37/03/384963703.db2.gz GVOSYKPOBIGZNK-VIFPVBQESA-N 1 2 208.261 1.611 10 0 BDAELO Cc1[nH]ncc1C[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000128547378 385049850 /nfs/dbraw/zinc/04/98/50/385049850.db2.gz CWBKQHRIAJWASS-LLVKDONJSA-N 1 2 245.330 1.441 10 0 BDAELO Cc1[nH]ncc1C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000128547378 385049856 /nfs/dbraw/zinc/04/98/56/385049856.db2.gz CWBKQHRIAJWASS-LLVKDONJSA-N 1 2 245.330 1.441 10 0 BDAELO COCC[S@](=O)Cc1[nH+]ccn1C(C)C ZINC000177120002 385185008 /nfs/dbraw/zinc/18/50/08/385185008.db2.gz GTSBNMIIXLSMKP-HNNXBMFYSA-N 1 2 230.333 1.359 10 0 BDAELO O=C(C[NH+]1CCC(O)CC1)c1ccc(F)cc1 ZINC000050132239 385310238 /nfs/dbraw/zinc/31/02/38/385310238.db2.gz WTUBSKPWJKEXLO-UHFFFAOYSA-N 1 2 237.274 1.465 10 0 BDAELO Cc1cc(NCCC2=CCOCC2)nc[nH+]1 ZINC000158078233 385335616 /nfs/dbraw/zinc/33/56/16/385335616.db2.gz HAKUOJYGAKYWJD-UHFFFAOYSA-N 1 2 219.288 1.934 10 0 BDAELO COC(=O)[C@H]([NH3+])COc1ccc(Cl)cc1 ZINC000169726697 385418408 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/nfs/dbraw/zinc/06/29/46/387062946.db2.gz VECDOOSHPGCBQW-UHFFFAOYSA-N 1 2 234.072 1.440 10 0 BDAELO Cc1ncsc1[C@H]([NH3+])c1cnns1 ZINC000575469446 387090573 /nfs/dbraw/zinc/09/05/73/387090573.db2.gz LFEJTUKXBBBSBA-ZCFIWIBFSA-N 1 2 212.303 1.351 10 0 BDAELO O=C(c1cncs1)[C@H]1CSCC[NH2+]1 ZINC000575469419 387091483 /nfs/dbraw/zinc/09/14/83/387091483.db2.gz WHGHMCFNCBVUMQ-ZCFIWIBFSA-N 1 2 214.315 1.031 10 0 BDAELO CC(C)(C)OC(=O)[C@]1(C)C[C@@H](F)C[NH2+]1 ZINC000536960205 387172474 /nfs/dbraw/zinc/17/24/74/387172474.db2.gz PKOBSXGHRUXDKE-XCBNKYQSSA-N 1 2 203.257 1.418 10 0 BDAELO CC1CN(c2nc[nH+]c(N)c2Br)C1 ZINC000575521708 387454471 /nfs/dbraw/zinc/45/44/71/387454471.db2.gz GYONUYKNZPHKEC-UHFFFAOYSA-N 1 2 243.108 1.277 10 0 BDAELO CC1CN(c2[nH+]cnc(N)c2Br)C1 ZINC000575521708 387454474 /nfs/dbraw/zinc/45/44/74/387454474.db2.gz GYONUYKNZPHKEC-UHFFFAOYSA-N 1 2 243.108 1.277 10 0 BDAELO c1cnn(C[C@H]2C[N@H+](Cc3ccco3)CCO2)c1 ZINC000122151665 387488125 /nfs/dbraw/zinc/48/81/25/387488125.db2.gz QPZIQGALRRTCFX-CYBMUJFWSA-N 1 2 247.298 1.377 10 0 BDAELO c1cnn(C[C@H]2C[N@@H+](Cc3ccco3)CCO2)c1 ZINC000122151665 387488131 /nfs/dbraw/zinc/48/81/31/387488131.db2.gz QPZIQGALRRTCFX-CYBMUJFWSA-N 1 2 247.298 1.377 10 0 BDAELO C[C@@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000645744357 387884052 /nfs/dbraw/zinc/88/40/52/387884052.db2.gz MXGQMOGPSWBDRA-IONNQARKSA-N 1 2 232.274 1.146 10 0 BDAELO C[N@@H+]1CCO[C@H](CNC(=O)CC2CCCC2)C1 ZINC000194633617 387887543 /nfs/dbraw/zinc/88/75/43/387887543.db2.gz LDQDOXNZJXNBPG-GFCCVEGCSA-N 1 2 240.347 1.014 10 0 BDAELO C[N@H+]1CCO[C@H](CNC(=O)CC2CCCC2)C1 ZINC000194633617 387887546 /nfs/dbraw/zinc/88/75/46/387887546.db2.gz LDQDOXNZJXNBPG-GFCCVEGCSA-N 1 2 240.347 1.014 10 0 BDAELO COCCC[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000195521788 387923179 /nfs/dbraw/zinc/92/31/79/387923179.db2.gz RWCCKUNKWYIMGD-JTQLQIEISA-N 1 2 242.344 1.553 10 0 BDAELO COCCC[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000195521788 387923180 /nfs/dbraw/zinc/92/31/80/387923180.db2.gz RWCCKUNKWYIMGD-JTQLQIEISA-N 1 2 242.344 1.553 10 0 BDAELO Cn1nccc1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000245541669 388423080 /nfs/dbraw/zinc/42/30/80/388423080.db2.gz OPHSBLAKYJTWHH-OLZOCXBDSA-N 1 2 235.331 1.564 10 0 BDAELO Cn1nccc1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000245541669 388423084 /nfs/dbraw/zinc/42/30/84/388423084.db2.gz OPHSBLAKYJTWHH-OLZOCXBDSA-N 1 2 235.331 1.564 10 0 BDAELO C[C@H]1CCC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000230173507 388819502 /nfs/dbraw/zinc/81/95/02/388819502.db2.gz YGOYCCKOXMTEJQ-WPRPVWTQSA-N 1 2 207.277 1.462 10 0 BDAELO C[C@H]1CCC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000230173507 388819509 /nfs/dbraw/zinc/81/95/09/388819509.db2.gz YGOYCCKOXMTEJQ-WPRPVWTQSA-N 1 2 207.277 1.462 10 0 BDAELO Cc1ncc([C@H]([NH3+])c2cnsn2)s1 ZINC000575471508 388849869 /nfs/dbraw/zinc/84/98/69/388849869.db2.gz DGSDIIWVMQXMHV-SSDOTTSWSA-N 1 2 212.303 1.351 10 0 BDAELO Cc1nc(N2CCC[C@@H](n3cncn3)C2)cc[nH+]1 ZINC000266388328 132186177 /nfs/dbraw/zinc/18/61/77/132186177.db2.gz 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COc1ccc([C@H]([NH3+])c2noc(C)n2)c(OC)c1 ZINC000036762365 188286033 /nfs/dbraw/zinc/28/60/33/188286033.db2.gz AXTUKASZHUJFSX-NSHDSACASA-N 1 2 249.270 1.443 10 0 BDAELO Nc1ccc(SC[C@H]2CCCO2)c[nH+]1 ZINC000037192644 188287420 /nfs/dbraw/zinc/28/74/20/188287420.db2.gz RBFULYJNIIXMEG-MRVPVSSYSA-N 1 2 210.302 1.935 10 0 BDAELO Cc1nccc(C[NH2+]Cc2ccccn2)n1 ZINC000037997766 188290256 /nfs/dbraw/zinc/29/02/56/188290256.db2.gz URYKRTYHBWMGRA-UHFFFAOYSA-N 1 2 214.272 1.470 10 0 BDAELO CC(C)(C)[C@@H]1CCCC[C@@]1([NH3+])c1nn[nH]n1 ZINC000040397083 188292392 /nfs/dbraw/zinc/29/23/92/188292392.db2.gz RPEGJXPMLUJXFA-KWQFWETISA-N 1 2 223.324 1.590 10 0 BDAELO CNc1[nH+]cnc(N2CCc3ccccc32)c1N ZINC000040687276 188292683 /nfs/dbraw/zinc/29/26/83/188292683.db2.gz AZPNSXIVCGOKRE-UHFFFAOYSA-N 1 2 241.298 1.795 10 0 BDAELO CC(=O)Oc1nn(C(C)=O)c2cc(C)[nH+]c(C)c12 ZINC000089219995 188317678 /nfs/dbraw/zinc/31/76/78/188317678.db2.gz HUFQYUSRDBBPQS-UHFFFAOYSA-N 1 2 247.254 1.634 10 0 BDAELO Fc1ccccc1C[NH2+]Cc1nnc[nH]1 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BDAELO CCCC[C@]([NH3+])(Cc1cnc[nH]1)C(=O)OC ZINC000169318641 169015324 /nfs/dbraw/zinc/01/53/24/169015324.db2.gz VBAHDFVYNUTHFT-NSHDSACASA-N 1 2 225.292 1.013 10 0 BDAELO OC[C@@]1(F)CCC[N@H+](C/C=C/Cl)C1 ZINC000306265588 183133632 /nfs/dbraw/zinc/13/36/32/183133632.db2.gz DIRDHZVKULFWKM-HDMKULJXSA-N 1 2 207.676 1.535 10 0 BDAELO OC[C@@]1(F)CCC[N@@H+](C/C=C/Cl)C1 ZINC000306265588 183133636 /nfs/dbraw/zinc/13/36/36/183133636.db2.gz DIRDHZVKULFWKM-HDMKULJXSA-N 1 2 207.676 1.535 10 0 BDAELO OCc1cc2ccccc2nc1-n1cc[nH+]c1 ZINC000020468294 183161885 /nfs/dbraw/zinc/16/18/85/183161885.db2.gz FVOBPJBFUQHICH-UHFFFAOYSA-N 1 2 225.251 1.913 10 0 BDAELO c1[nH]cc(Cc2cccc3c2OCCO3)[nH+]1 ZINC000142078269 183354996 /nfs/dbraw/zinc/35/49/96/183354996.db2.gz WDJLMJVFLJROAI-UHFFFAOYSA-N 1 2 216.240 1.772 10 0 BDAELO c1c[nH]c(C[NH+]2CCC(c3cc[nH]n3)CC2)n1 ZINC000111212515 183336341 /nfs/dbraw/zinc/33/63/41/183336341.db2.gz MSEPZQLNIGDJLX-UHFFFAOYSA-N 1 2 231.303 1.512 10 0 BDAELO CCCNc1[nH+]cccc1CN1CCN(C)C1=O ZINC000052886357 169296775 /nfs/dbraw/zinc/29/67/75/169296775.db2.gz ODVADTWCCDQBTJ-UHFFFAOYSA-N 1 2 248.330 1.771 10 0 BDAELO CCOCC[N@@H+](C)Cc1nnc(C(C)C)n1C ZINC000181028635 134333353 /nfs/dbraw/zinc/33/33/53/134333353.db2.gz VCMSMEAQEHMWCZ-UHFFFAOYSA-N 1 2 240.351 1.407 10 0 BDAELO c1cc2cc(N3CCOCC3)[nH+]cc2[nH]1 ZINC000089213141 383949500 /nfs/dbraw/zinc/94/95/00/383949500.db2.gz XABVQLAHWZCZDW-UHFFFAOYSA-N 1 2 203.245 1.400 10 0 BDAELO C[C@H]1Oc2ccccc2C(=O)[C@H]1[NH+](C)C ZINC000039105371 384102986 /nfs/dbraw/zinc/10/29/86/384102986.db2.gz OLUMTVYVDWSSJK-KCJUWKMLSA-N 1 2 205.257 1.580 10 0 BDAELO C[N@@H+]1CCO[C@@H](CNC(=O)C2CCCCC2)C1 ZINC000074773153 384142199 /nfs/dbraw/zinc/14/21/99/384142199.db2.gz YPDMZXISBGNLMP-LBPRGKRZSA-N 1 2 240.347 1.014 10 0 BDAELO C[N@H+]1CCO[C@@H](CNC(=O)C2CCCCC2)C1 ZINC000074773153 384142205 /nfs/dbraw/zinc/14/22/05/384142205.db2.gz YPDMZXISBGNLMP-LBPRGKRZSA-N 1 2 240.347 1.014 10 0 BDAELO COC(=O)[C@@H]1C[C@@H](c2cccc(OC)c2)CC[NH2+]1 ZINC000079026262 384478943 /nfs/dbraw/zinc/47/89/43/384478943.db2.gz JVPUBJNOZTVFTR-AAEUAGOBSA-N 1 2 249.310 1.704 10 0 BDAELO CCn1c(C)nnc1C[N@@H+]1CCC[C@@H](OC)C1 ZINC000170817824 384520120 /nfs/dbraw/zinc/52/01/20/384520120.db2.gz VADYCSNTLGKGBZ-LLVKDONJSA-N 1 2 238.335 1.217 10 0 BDAELO CCn1c(C)nnc1C[N@H+]1CCC[C@@H](OC)C1 ZINC000170817824 384520123 /nfs/dbraw/zinc/52/01/23/384520123.db2.gz VADYCSNTLGKGBZ-LLVKDONJSA-N 1 2 238.335 1.217 10 0 BDAELO COCC[N@@H+]1CCN(CCSC)C[C@@H]1C ZINC000171630473 384616627 /nfs/dbraw/zinc/61/66/27/384616627.db2.gz MDTOZZCKIIMIAG-NSHDSACASA-N 1 2 232.393 1.002 10 0 BDAELO COCC[N@H+]1CCN(CCSC)C[C@@H]1C ZINC000171630473 384616631 /nfs/dbraw/zinc/61/66/31/384616631.db2.gz MDTOZZCKIIMIAG-NSHDSACASA-N 1 2 232.393 1.002 10 0 BDAELO C/C=C\CS(=O)(=O)Cc1[nH+]ccn1CC ZINC000255498833 384664734 /nfs/dbraw/zinc/66/47/34/384664734.db2.gz LUHRELXKBJZYQY-HYXAFXHYSA-N 1 2 228.317 1.394 10 0 BDAELO O=C1NCC[NH2+][C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000051924896 384705386 /nfs/dbraw/zinc/70/53/86/384705386.db2.gz RKKAPCSDNLGCTJ-SECBINFHSA-N 1 2 244.216 1.466 10 0 BDAELO C[C@@H]1Oc2c(cccc2F)[C@H]1[NH2+]C1COC1 ZINC000309954432 384740477 /nfs/dbraw/zinc/74/04/77/384740477.db2.gz HOXUZDWYALFALG-CPCISQLKSA-N 1 2 223.247 1.636 10 0 BDAELO C[C@H]1C[C@@H](O)CN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000335240185 384871678 /nfs/dbraw/zinc/87/16/78/384871678.db2.gz VZNVNBNYCKZDSI-VHSXEESVSA-N 1 2 231.299 1.770 10 0 BDAELO CO[C@H]1CCC[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000234820178 384869155 /nfs/dbraw/zinc/86/91/55/384869155.db2.gz LIQBMWFRKLDSOS-RQJHMYQMSA-N 1 2 242.710 1.692 10 0 BDAELO CO[C@H]1CCC[C@H]1Nc1[nH+]cnc(N)c1Cl ZINC000234820178 384869165 /nfs/dbraw/zinc/86/91/65/384869165.db2.gz LIQBMWFRKLDSOS-RQJHMYQMSA-N 1 2 242.710 1.692 10 0 BDAELO c1nc2n(n1)CCC[C@H]2Nc1cccc[nH+]1 ZINC000301564396 384894234 /nfs/dbraw/zinc/89/42/34/384894234.db2.gz LPNUOPPVVCLQKQ-SECBINFHSA-N 1 2 215.260 1.620 10 0 BDAELO Cc1nc(N2CC[C@@]3(O)CCCC[C@@H]3C2)cc[nH+]1 ZINC000128328505 385026237 /nfs/dbraw/zinc/02/62/37/385026237.db2.gz RFGFRQCMHPFNPA-OCCSQVGLSA-N 1 2 247.342 1.916 10 0 BDAELO CCOCC[S@@](=O)Cc1[nH+]ccn1C(C)C ZINC000177120298 385183604 /nfs/dbraw/zinc/18/36/04/385183604.db2.gz GODOMYBMGIYGBW-MRXNPFEDSA-N 1 2 244.360 1.749 10 0 BDAELO Cn1cc([C@H]2CCC[N@@H+]2Cc2ccon2)cn1 ZINC000157888870 385304153 /nfs/dbraw/zinc/30/41/53/385304153.db2.gz IACSVSSGZJYBJH-GFCCVEGCSA-N 1 2 232.287 1.745 10 0 BDAELO Cn1cc([C@H]2CCC[N@H+]2Cc2ccon2)cn1 ZINC000157888870 385304155 /nfs/dbraw/zinc/30/41/55/385304155.db2.gz IACSVSSGZJYBJH-GFCCVEGCSA-N 1 2 232.287 1.745 10 0 BDAELO Nc1c[nH+]c(N)nc1Nc1ccccc1 ZINC000238616608 385260905 /nfs/dbraw/zinc/26/09/05/385260905.db2.gz MZQPYYGLBHJDKV-UHFFFAOYSA-N 1 2 201.233 1.385 10 0 BDAELO C[C@H](Nc1nc[nH+]c(N)c1Cl)[C@@H]1CCCO1 ZINC000227847093 385337827 /nfs/dbraw/zinc/33/78/27/385337827.db2.gz WQTUPNUAHXIAEZ-BQBZGAKWSA-N 1 2 242.710 1.692 10 0 BDAELO C[C@H](Nc1[nH+]cnc(N)c1Cl)[C@@H]1CCCO1 ZINC000227847093 385337832 /nfs/dbraw/zinc/33/78/32/385337832.db2.gz WQTUPNUAHXIAEZ-BQBZGAKWSA-N 1 2 242.710 1.692 10 0 BDAELO COC(=O)[C@@H]([NH3+])[C@H](C)Oc1ccc(Cl)cc1 ZINC000169726792 385418259 /nfs/dbraw/zinc/41/82/59/385418259.db2.gz FCTACNBDFVWBLA-XVKPBYJWSA-N 1 2 243.690 1.608 10 0 BDAELO COC(=O)[C@H]([NH3+])[C@H](C)Oc1ccccc1F ZINC000169726734 385418491 /nfs/dbraw/zinc/41/84/91/385418491.db2.gz JFMXGMRORDTAKF-OIBJUYFYSA-N 1 2 227.235 1.093 10 0 BDAELO COC(=O)[C@H]([NH3+])COc1cccc(Cl)c1 ZINC000169726699 385418587 /nfs/dbraw/zinc/41/85/87/385418587.db2.gz RJFVOXSHEMGUQI-SECBINFHSA-N 1 2 229.663 1.219 10 0 BDAELO COC(=O)[C@@H]([NH3+])[C@H](C)Oc1ccc(F)cc1 ZINC000169726784 385418705 /nfs/dbraw/zinc/41/87/05/385418705.db2.gz SMFUZPGUYKRTRK-XVKPBYJWSA-N 1 2 227.235 1.093 10 0 BDAELO COC(=O)[C@@H]([NH3+])[C@H](C)Oc1ccccc1F ZINC000169726732 385419093 /nfs/dbraw/zinc/41/90/93/385419093.db2.gz JFMXGMRORDTAKF-XVKPBYJWSA-N 1 2 227.235 1.093 10 0 BDAELO COC(=O)[C@@H]1C[C@H](Sc2ccccn2)C[NH2+]1 ZINC000169726885 385419713 /nfs/dbraw/zinc/41/97/13/385419713.db2.gz WPPHGKBEBAYQIT-IUCAKERBSA-N 1 2 238.312 1.077 10 0 BDAELO C[C@H]1CN(c2[nH+]cnc3c2cnn3C)CCS1 ZINC000171608709 385500657 /nfs/dbraw/zinc/50/06/57/385500657.db2.gz DTFVXDWBLAWIOQ-QMMMGPOBSA-N 1 2 249.343 1.305 10 0 BDAELO Cc1cnc(C[N@@H+]2CCCC[C@]2(C)C(N)=O)cn1 ZINC000408202612 385636613 /nfs/dbraw/zinc/63/66/13/385636613.db2.gz JFDCRVSJRNAXBF-CYBMUJFWSA-N 1 2 248.330 1.015 10 0 BDAELO Cc1cnc(C[N@H+]2CCCC[C@]2(C)C(N)=O)cn1 ZINC000408202612 385636615 /nfs/dbraw/zinc/63/66/15/385636615.db2.gz JFDCRVSJRNAXBF-CYBMUJFWSA-N 1 2 248.330 1.015 10 0 BDAELO CO[C@H](C)C[N@@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000408456312 385693847 /nfs/dbraw/zinc/69/38/47/385693847.db2.gz HOCNLMKDOZOCPO-BDAKNGLRSA-N 1 2 240.307 1.072 10 0 BDAELO CO[C@H](C)C[N@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000408456312 385693850 /nfs/dbraw/zinc/69/38/50/385693850.db2.gz HOCNLMKDOZOCPO-BDAKNGLRSA-N 1 2 240.307 1.072 10 0 BDAELO COC[C@H](C)[NH2+]Cc1nc(CC(C)C)no1 ZINC000309672495 386022754 /nfs/dbraw/zinc/02/27/54/386022754.db2.gz WOQXUUCMOPRORC-VIFPVBQESA-N 1 2 227.308 1.393 10 0 BDAELO C[NH2+][C@@H](c1csnn1)c1cccs1 ZINC000160047343 386138717 /nfs/dbraw/zinc/13/87/17/386138717.db2.gz BKFYNMFEAYHNLN-QMMMGPOBSA-N 1 2 211.315 1.908 10 0 BDAELO COC(=O)[C@H]1[NH2+]CC12CCC(F)(F)CC2 ZINC000521400164 386444258 /nfs/dbraw/zinc/44/42/58/386444258.db2.gz CWCBDYBOJBBXMB-SSDOTTSWSA-N 1 2 219.231 1.327 10 0 BDAELO [NH3+]CC[N@@H+]1CCCC[C@H]1c1ccccc1C(=O)[O-] ZINC000616616143 386740572 /nfs/dbraw/zinc/74/05/72/386740572.db2.gz JOAFNJSIJVYDCH-ZDUSSCGKSA-N 1 2 248.326 1.871 10 0 BDAELO [NH3+]CC[N@H+]1CCCC[C@H]1c1ccccc1C(=O)[O-] ZINC000616616143 386740576 /nfs/dbraw/zinc/74/05/76/386740576.db2.gz JOAFNJSIJVYDCH-ZDUSSCGKSA-N 1 2 248.326 1.871 10 0 BDAELO Cc1cnn(CCNc2cc(C)[nH+]cn2)c1 ZINC000110581169 387066164 /nfs/dbraw/zinc/06/61/64/387066164.db2.gz XJLLBSXCEGGYPF-UHFFFAOYSA-N 1 2 217.276 1.402 10 0 BDAELO CC(C)n1nnnc1C[N@@H+]1CCCC2(CC2)C1 ZINC000186958161 387155638 /nfs/dbraw/zinc/15/56/38/387155638.db2.gz WYVXWOCMRFJCMH-UHFFFAOYSA-N 1 2 235.335 1.630 10 0 BDAELO CC(C)n1nnnc1C[N@H+]1CCCC2(CC2)C1 ZINC000186958161 387155641 /nfs/dbraw/zinc/15/56/41/387155641.db2.gz WYVXWOCMRFJCMH-UHFFFAOYSA-N 1 2 235.335 1.630 10 0 BDAELO O=C1CC[NH+](CC2SCCS2)CC1 ZINC000575488405 387260041 /nfs/dbraw/zinc/26/00/41/387260041.db2.gz ZNYIMRFDBXMXOC-UHFFFAOYSA-N 1 2 217.359 1.457 10 0 BDAELO COC(=O)C[NH+]1CCC(c2nccs2)CC1 ZINC000373995015 387408406 /nfs/dbraw/zinc/40/84/06/387408406.db2.gz ZUKHCKJGBXLINE-UHFFFAOYSA-N 1 2 240.328 1.496 10 0 BDAELO C[C@H](CF)Nc1nc[nH+]c(N)c1Cl ZINC000575572894 387752862 /nfs/dbraw/zinc/75/28/62/387752862.db2.gz RSKPJPHVRRVELL-SCSAIBSYSA-N 1 2 204.636 1.482 10 0 BDAELO C[C@H](CF)Nc1[nH+]cnc(N)c1Cl ZINC000575572894 387752863 /nfs/dbraw/zinc/75/28/63/387752863.db2.gz RSKPJPHVRRVELL-SCSAIBSYSA-N 1 2 204.636 1.482 10 0 BDAELO C[C@H](C(N)=O)[N@H+]1CC=C(c2ccccc2F)CC1 ZINC000127524899 387714134 /nfs/dbraw/zinc/71/41/34/387714134.db2.gz IDOMSDAFTHQPDI-SNVBAGLBSA-N 1 2 248.301 1.789 10 0 BDAELO C[C@H](C(N)=O)[N@@H+]1CC=C(c2ccccc2F)CC1 ZINC000127524899 387714140 /nfs/dbraw/zinc/71/41/40/387714140.db2.gz IDOMSDAFTHQPDI-SNVBAGLBSA-N 1 2 248.301 1.789 10 0 BDAELO CCCCCC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000194634943 387888304 /nfs/dbraw/zinc/88/83/04/387888304.db2.gz LWKMKUDPPZBAAN-NSHDSACASA-N 1 2 228.336 1.014 10 0 BDAELO CCCCCC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000194634943 387888305 /nfs/dbraw/zinc/88/83/05/387888305.db2.gz LWKMKUDPPZBAAN-NSHDSACASA-N 1 2 228.336 1.014 10 0 BDAELO CC[C@H](C)[N@@H+]1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000248374763 388677051 /nfs/dbraw/zinc/67/70/51/388677051.db2.gz TYPVZSCQCATITB-WCBMZHEXSA-N 1 2 224.308 1.285 10 0 BDAELO CC[C@H](C)[N@H+]1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000248374763 388677054 /nfs/dbraw/zinc/67/70/54/388677054.db2.gz TYPVZSCQCATITB-WCBMZHEXSA-N 1 2 224.308 1.285 10 0 BDAELO c1nc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)co1 ZINC000249305315 388714839 /nfs/dbraw/zinc/71/48/39/388714839.db2.gz MWLALQFIFJRUAT-VXGBXAGGSA-N 1 2 222.288 1.818 10 0 BDAELO c1nc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)co1 ZINC000249305315 388714841 /nfs/dbraw/zinc/71/48/41/388714841.db2.gz MWLALQFIFJRUAT-VXGBXAGGSA-N 1 2 222.288 1.818 10 0 BDAELO C[C@@H]1CCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000230172694 388819338 /nfs/dbraw/zinc/81/93/38/388819338.db2.gz JQYBMPRGBNFXLI-BDAKNGLRSA-N 1 2 207.277 1.462 10 0 BDAELO Cc1cc(N2CCC(c3cc[nH]n3)CC2)nc[nH+]1 ZINC000110414348 132267788 /nfs/dbraw/zinc/26/77/88/132267788.db2.gz FSHVCYBUFWDMGW-UHFFFAOYSA-N 1 2 243.314 1.892 10 0 BDAELO [NH3+]c1ccc2c(c1)CCCN2CC(=O)NC1CC1 ZINC000019875194 132328799 /nfs/dbraw/zinc/32/87/99/132328799.db2.gz PFEPRCWIFLKYHH-UHFFFAOYSA-N 1 2 245.326 1.300 10 0 BDAELO CNC(=O)[C@@H]1CCCCN1c1ccc([NH3+])cc1C ZINC000042420772 132351503 /nfs/dbraw/zinc/35/15/03/132351503.db2.gz XWXJHFHPBJVLDV-ZDUSSCGKSA-N 1 2 247.342 1.682 10 0 BDAELO Cc1ccc(N)cc1[NH+]1CCC(CO)CC1 ZINC000053734826 132363652 /nfs/dbraw/zinc/36/36/52/132363652.db2.gz ZVDYTNVZJWOOMZ-UHFFFAOYSA-N 1 2 220.316 1.786 10 0 BDAELO Cc1cnc([C@H](C)[NH2+]Cc2cnn(C)c2C)o1 ZINC000220957660 134314868 /nfs/dbraw/zinc/31/48/68/134314868.db2.gz AAKMCONVWOHVSZ-VIFPVBQESA-N 1 2 234.303 1.876 10 0 BDAELO Cc1cnc([C@H](C)[NH2+]CC(=O)NCC(C)C)o1 ZINC000220930313 134315419 /nfs/dbraw/zinc/31/54/19/134315419.db2.gz ARDPVYSHZHTJLR-JTQLQIEISA-N 1 2 239.319 1.406 10 0 BDAELO CCc1nnc(C[N@H+](C)[C@@H]2CCSC2)n1C ZINC000179263620 134319864 /nfs/dbraw/zinc/31/98/64/134319864.db2.gz NBFDEWYCRCDCFA-SECBINFHSA-N 1 2 240.376 1.315 10 0 BDAELO CCc1nnc(C[N@@H+](C)[C@@H]2CCSC2)n1C ZINC000179263620 134319865 /nfs/dbraw/zinc/31/98/65/134319865.db2.gz NBFDEWYCRCDCFA-SECBINFHSA-N 1 2 240.376 1.315 10 0 BDAELO CCOCC[N@H+](C)Cc1nnc(C(C)C)n1C ZINC000181028635 134333352 /nfs/dbraw/zinc/33/33/52/134333352.db2.gz VCMSMEAQEHMWCZ-UHFFFAOYSA-N 1 2 240.351 1.407 10 0 BDAELO Cc1nc(N2CCCC[C@@H]2c2nc[nH]n2)cc[nH+]1 ZINC000182539440 134345945 /nfs/dbraw/zinc/34/59/45/134345945.db2.gz WMWIXENJXWYQET-SNVBAGLBSA-N 1 2 244.302 1.635 10 0 BDAELO C[C@H]1COC[C@H](C)[NH+]1CCOCC(F)(F)F ZINC000077367896 135062743 /nfs/dbraw/zinc/06/27/43/135062743.db2.gz MOTBYJBRCVYTCE-IUCAKERBSA-N 1 2 241.253 1.675 10 0 BDAELO Cn1nccc1C[N@H+](C)Cc1cnc(N)s1 ZINC000261573798 135216105 /nfs/dbraw/zinc/21/61/05/135216105.db2.gz IZEYQBKCANUDGQ-UHFFFAOYSA-N 1 2 237.332 1.091 10 0 BDAELO Cn1nccc1C[N@@H+](C)Cc1cnc(N)s1 ZINC000261573798 135216106 /nfs/dbraw/zinc/21/61/06/135216106.db2.gz IZEYQBKCANUDGQ-UHFFFAOYSA-N 1 2 237.332 1.091 10 0 BDAELO C[Si](C)(C)c1cnc(Cl)c2c[nH+]cn21 ZINC000211604985 398047622 /nfs/dbraw/zinc/04/76/22/398047622.db2.gz LUJSKYFHRSDLBJ-UHFFFAOYSA-N 1 2 225.755 1.928 10 0 BDAELO C[N@@H+]1CCSC[C@@H]1C(=O)Cc1cccs1 ZINC000234308722 398111944 /nfs/dbraw/zinc/11/19/44/398111944.db2.gz LCSURTQDUDXVEV-SNVBAGLBSA-N 1 2 241.381 1.907 10 0 BDAELO C[N@H+]1CCSC[C@@H]1C(=O)Cc1cccs1 ZINC000234308722 398111948 /nfs/dbraw/zinc/11/19/48/398111948.db2.gz LCSURTQDUDXVEV-SNVBAGLBSA-N 1 2 241.381 1.907 10 0 BDAELO CC(C)(C)OC(=O)[C@@H]([NH3+])[C@H]1CNc2ccccc21 ZINC000090623466 166672454 /nfs/dbraw/zinc/67/24/54/166672454.db2.gz XAYQWLANRQLTSA-JQWIXIFHSA-N 1 2 248.326 1.865 10 0 BDAELO COC(=O)N1CCCC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616629012 411259820 /nfs/dbraw/zinc/25/98/20/411259820.db2.gz MWSCYPQCPDLULK-NSHDSACASA-N 1 2 249.314 2.000 10 0 BDAELO CC[N@@H+]1CCO[C@](O)(c2ccccc2)C1 ZINC000031924105 170007042 /nfs/dbraw/zinc/00/70/42/170007042.db2.gz IAJBHTJYMAKROD-LBPRGKRZSA-N 1 2 207.273 1.184 10 0 BDAELO CC[N@H+]1CCO[C@](O)(c2ccccc2)C1 ZINC000031924105 170007043 /nfs/dbraw/zinc/00/70/43/170007043.db2.gz IAJBHTJYMAKROD-LBPRGKRZSA-N 1 2 207.273 1.184 10 0 BDAELO CC[NH2+]C1(C(=O)OC)CCSCC1 ZINC000041048814 170108495 /nfs/dbraw/zinc/10/84/95/170108495.db2.gz LXUJVUBUAJBVLU-UHFFFAOYSA-N 1 2 203.307 1.035 10 0 BDAELO CCNc1cc(C)[nH+]c([C@H]2CCOC2)n1 ZINC000051691583 170171927 /nfs/dbraw/zinc/17/19/27/170171927.db2.gz CCXIYKLTBFGNFL-VIFPVBQESA-N 1 2 207.277 1.721 10 0 BDAELO CCOC(=O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000120041014 170218684 /nfs/dbraw/zinc/21/86/84/170218684.db2.gz RACYJYFAEMTZFL-LLVKDONJSA-N 1 2 237.303 1.500 10 0 BDAELO CCOC(=O)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000120041014 170218685 /nfs/dbraw/zinc/21/86/85/170218685.db2.gz RACYJYFAEMTZFL-LLVKDONJSA-N 1 2 237.303 1.500 10 0 BDAELO CCOC(=O)[C@H]([NH3+])COCCCC(C)C ZINC000045474983 170275661 /nfs/dbraw/zinc/27/56/61/170275661.db2.gz XTMVPCQIUHSUOS-SNVBAGLBSA-N 1 2 217.309 1.330 10 0 BDAELO CCOC(=O)[C@H]([NH3+])c1ccccc1CC ZINC000052204323 170276151 /nfs/dbraw/zinc/27/61/51/170276151.db2.gz BVGJOFFIHCJULG-LLVKDONJSA-N 1 2 207.273 1.812 10 0 BDAELO CCOC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000033787782 170276369 /nfs/dbraw/zinc/27/63/69/170276369.db2.gz JFLGCPZSHNZKDX-SECBINFHSA-N 1 2 213.664 1.903 10 0 BDAELO CCOC(=O)[C@]1([NH2+]CC2CC2)CCSC1 ZINC000037968009 170286938 /nfs/dbraw/zinc/28/69/38/170286938.db2.gz MFCGUYWWJVOOEH-NSHDSACASA-N 1 2 229.345 1.425 10 0 BDAELO O=C1NCC[C@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000664134674 411865959 /nfs/dbraw/zinc/86/59/59/411865959.db2.gz MXMSNQOGKSJEKA-SSDOTTSWSA-N 1 2 245.204 1.401 10 0 BDAELO CC(=O)N1CCC[C@H]1c1cc[nH+]c(N)c1 ZINC000616610561 411854681 /nfs/dbraw/zinc/85/46/81/411854681.db2.gz UPLFKBUGNVLPEM-JTQLQIEISA-N 1 2 205.261 1.347 10 0 BDAELO C[C@@H]1CCN1c1nc(N)[nH+]cc1Br ZINC000575587492 411904262 /nfs/dbraw/zinc/90/42/62/411904262.db2.gz ISSIEQLZSMGFOI-RXMQYKEDSA-N 1 2 243.108 1.420 10 0 BDAELO CC[C@@]([NH3+])(C(=O)OC)c1ccc(F)cc1 ZINC000037459612 171192840 /nfs/dbraw/zinc/19/28/40/171192840.db2.gz GTLCUGJARIWIPW-NSHDSACASA-N 1 2 211.236 1.563 10 0 BDAELO CCn1cc(NCc2c[nH+]c(C)[nH]2)cn1 ZINC000054821631 172184897 /nfs/dbraw/zinc/18/48/97/172184897.db2.gz GHSNXXFXDMRYAQ-UHFFFAOYSA-N 1 2 205.265 1.547 10 0 BDAELO CCn1cc(NCc2c[nH]c(C)[nH+]2)cn1 ZINC000054821631 172184898 /nfs/dbraw/zinc/18/48/98/172184898.db2.gz GHSNXXFXDMRYAQ-UHFFFAOYSA-N 1 2 205.265 1.547 10 0 BDAELO CN(C)C(=O)CNc1ccc([NH+]2CCCC2)cc1 ZINC000058551631 172371853 /nfs/dbraw/zinc/37/18/53/172371853.db2.gz UJLJCDHRQAOOMZ-UHFFFAOYSA-N 1 2 247.342 1.787 10 0 BDAELO CNC(=S)NCCCCCc1c[nH]c[nH+]1 ZINC000001542147 173316238 /nfs/dbraw/zinc/31/62/38/173316238.db2.gz BHXVXFKQYAHZKJ-UHFFFAOYSA-N 1 2 226.349 1.216 10 0 BDAELO CNC(=S)NCCCCCc1c[nH+]c[nH]1 ZINC000001542147 173316241 /nfs/dbraw/zinc/31/62/41/173316241.db2.gz BHXVXFKQYAHZKJ-UHFFFAOYSA-N 1 2 226.349 1.216 10 0 BDAELO C[NH2+]CC(=O)OCCc1cn(C)c2ccccc12 ZINC000077402146 173334644 /nfs/dbraw/zinc/33/46/44/173334644.db2.gz AUXXTKVZDOEABI-UHFFFAOYSA-N 1 2 246.310 1.483 10 0 BDAELO C[NH2+]CC(=O)OCc1cc(Cl)ccc1OC ZINC000077394682 173335135 /nfs/dbraw/zinc/33/51/35/173335135.db2.gz SLINNUAPAAHGKF-UHFFFAOYSA-N 1 2 243.690 1.611 10 0 BDAELO C[NH2+]CC(=O)OCCc1ccc(F)cc1 ZINC000077304503 173335596 /nfs/dbraw/zinc/33/55/96/173335596.db2.gz 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224.308 1.368 10 0 BDAELO COCCN1CC[N@H+](Cc2ccco2)C[C@H]1C ZINC000120776378 174309665 /nfs/dbraw/zinc/30/96/65/174309665.db2.gz MHFDXVMOWARSFY-GFCCVEGCSA-N 1 2 238.331 1.432 10 0 BDAELO COCCN1CC[N@@H+](Cc2ccco2)C[C@H]1C ZINC000120776378 174309667 /nfs/dbraw/zinc/30/96/67/174309667.db2.gz MHFDXVMOWARSFY-GFCCVEGCSA-N 1 2 238.331 1.432 10 0 BDAELO COCCN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000106373326 174316210 /nfs/dbraw/zinc/31/62/10/174316210.db2.gz YQOOGQDWPJFKOR-UHFFFAOYSA-N 1 2 237.347 1.548 10 0 BDAELO COCC[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000106373326 174316211 /nfs/dbraw/zinc/31/62/11/174316211.db2.gz YQOOGQDWPJFKOR-UHFFFAOYSA-N 1 2 237.347 1.548 10 0 BDAELO COCC[N@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000106373326 174316212 /nfs/dbraw/zinc/31/62/12/174316212.db2.gz YQOOGQDWPJFKOR-UHFFFAOYSA-N 1 2 237.347 1.548 10 0 BDAELO COc1ccc(C(=O)C[NH+](C)C)cc1F ZINC000037333628 175053561 /nfs/dbraw/zinc/05/35/61/175053561.db2.gz FROTXDGGQYDICV-UHFFFAOYSA-N 1 2 211.236 1.579 10 0 BDAELO COc1ccc(C[NH2+]Cc2nnc[nH]2)cc1F ZINC000037918998 175108030 /nfs/dbraw/zinc/10/80/30/175108030.db2.gz QQONZWBZTQGYLE-UHFFFAOYSA-N 1 2 236.250 1.242 10 0 BDAELO COc1ccc(C[C@@H](C)[NH2+]Cc2ncn[nH]2)cc1 ZINC000037919646 175115614 /nfs/dbraw/zinc/11/56/14/175115614.db2.gz BHGTUVFJQINUSW-SNVBAGLBSA-N 1 2 246.314 1.534 10 0 BDAELO COc1ccc(OC)c([C@H]2C[N@H+](C)CCO2)c1 ZINC000026575994 175168656 /nfs/dbraw/zinc/16/86/56/175168656.db2.gz DVXQSNMMHRXOCX-CYBMUJFWSA-N 1 2 237.299 1.707 10 0 BDAELO COc1ccc(OC)c([C@H]2C[N@@H+](C)CCO2)c1 ZINC000026575994 175168658 /nfs/dbraw/zinc/16/86/58/175168658.db2.gz DVXQSNMMHRXOCX-CYBMUJFWSA-N 1 2 237.299 1.707 10 0 BDAELO COc1ccc([C@H]2[NH2+]CCNC2=O)cc1Cl ZINC000041284041 175198824 /nfs/dbraw/zinc/19/88/24/175198824.db2.gz JHLMCEQDUYKLRJ-SNVBAGLBSA-N 1 2 240.690 1.109 10 0 BDAELO COc1cccc(C(=O)C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000050152779 175242901 /nfs/dbraw/zinc/24/29/01/175242901.db2.gz VTKLZUVAFPBYNW-GFCCVEGCSA-N 1 2 249.310 1.335 10 0 BDAELO COc1cccc(C(=O)C[N@H+]2CCC[C@@H](O)C2)c1 ZINC000050152779 175242902 /nfs/dbraw/zinc/24/29/02/175242902.db2.gz VTKLZUVAFPBYNW-GFCCVEGCSA-N 1 2 249.310 1.335 10 0 BDAELO COc1cccc(F)c1[C@H](C)[NH2+]C1COC1 ZINC000125388819 175274074 /nfs/dbraw/zinc/27/40/74/175274074.db2.gz KIALZLISGKUMCL-QMMMGPOBSA-N 1 2 225.263 1.884 10 0 BDAELO COc1ccccc1Nc1nc[nH+]c(N)c1N ZINC000040723908 175339649 /nfs/dbraw/zinc/33/96/49/175339649.db2.gz PYPWVBWXTBTDDO-UHFFFAOYSA-N 1 2 231.259 1.393 10 0 BDAELO COc1ncnc(OC)c1C[NH2+]Cc1ccco1 ZINC000036745600 175413893 /nfs/dbraw/zinc/41/38/93/175413893.db2.gz YXXROOVXCPFQII-UHFFFAOYSA-N 1 2 249.270 1.377 10 0 BDAELO C[C@H](O)[C@H]([NH3+])c1nc(C2CCCC2)no1 ZINC000037756501 177012970 /nfs/dbraw/zinc/01/29/70/177012970.db2.gz SJSXWAGNMFVGGH-XPUUQOCRSA-N 1 2 211.265 1.108 10 0 BDAELO Cc1c(N)cccc1NCCn1cc[nH+]c1 ZINC000062724861 177614445 /nfs/dbraw/zinc/61/44/45/177614445.db2.gz ZGNDUFSFYROKLW-UHFFFAOYSA-N 1 2 216.288 1.886 10 0 BDAELO Nc1[nH+]cnc2[nH]nc(-c3ccco3)c21 ZINC000146924407 487925579 /nfs/dbraw/zinc/92/55/79/487925579.db2.gz QQWHQZOTBLYYDS-UHFFFAOYSA-N 1 2 201.189 1.195 10 0 BDAELO Cn1ncnc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000088572184 491105993 /nfs/dbraw/zinc/10/59/93/491105993.db2.gz OEMDKYJBFWSQMH-LLVKDONJSA-N 1 2 244.298 1.429 10 0 BDAELO C[N@@H+]1CCc2cc(NCC(F)(F)CO)ccc21 ZINC000757123861 582498809 /nfs/dbraw/zinc/49/88/09/582498809.db2.gz AWNNUMCCRUVBGR-UHFFFAOYSA-N 1 2 242.269 1.718 10 0 BDAELO C[N@H+]1CCc2cc(NCC(F)(F)CO)ccc21 ZINC000757123861 582498811 /nfs/dbraw/zinc/49/88/11/582498811.db2.gz AWNNUMCCRUVBGR-UHFFFAOYSA-N 1 2 242.269 1.718 10 0 BDAELO CCOc1ccc([C@@H](C(=O)OC)[NH+](C)C)cc1 ZINC000095532729 521216662 /nfs/dbraw/zinc/21/66/62/521216662.db2.gz LKKWOTDETOUAFM-LBPRGKRZSA-N 1 2 237.299 1.861 10 0 BDAELO CCc1noc(C[N@H+]2CCC[C@@H](C(C)=O)C2)n1 ZINC000111690396 582861008 /nfs/dbraw/zinc/86/10/08/582861008.db2.gz PKLMQUVJVLFWRV-SNVBAGLBSA-N 1 2 237.303 1.433 10 0 BDAELO COC(=O)[C@@H](c1cccc(C)c1)[NH+](C)C ZINC000095532764 523655020 /nfs/dbraw/zinc/65/50/20/523655020.db2.gz IHLNWPRNUWARRR-LLVKDONJSA-N 1 2 207.273 1.771 10 0 BDAELO COC(=O)[C@](C)(c1cccc(F)c1)[NH+](C)C ZINC000095532518 524003251 /nfs/dbraw/zinc/00/32/51/524003251.db2.gz KIGPVZKRTQBWGX-LBPRGKRZSA-N 1 2 225.263 1.776 10 0 BDAELO COc1cccc(OC)c1C(=O)C[NH+]1CCCC1 ZINC000229013031 526214762 /nfs/dbraw/zinc/21/47/62/526214762.db2.gz UFVMGYYQDPLPGU-UHFFFAOYSA-N 1 2 249.310 1.982 10 0 BDAELO CC(C)c1noc(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)n1 ZINC000401946289 528500471 /nfs/dbraw/zinc/50/04/71/528500471.db2.gz JIVIEUOYECGOTR-NXEZZACHSA-N 1 2 239.319 1.396 10 0 BDAELO CC(C)c1noc(C[N@H+]2C[C@H](C)C[C@@H](O)C2)n1 ZINC000401946289 528500472 /nfs/dbraw/zinc/50/04/72/528500472.db2.gz JIVIEUOYECGOTR-NXEZZACHSA-N 1 2 239.319 1.396 10 0 BDAELO CCC[N@@H+]1CCN(c2cccs2)C(=O)C1 ZINC000186074468 534936797 /nfs/dbraw/zinc/93/67/97/534936797.db2.gz VYXIMLOUWSQWJP-UHFFFAOYSA-N 1 2 224.329 1.807 10 0 BDAELO CCC[N@H+]1CCN(c2cccs2)C(=O)C1 ZINC000186074468 534936807 /nfs/dbraw/zinc/93/68/07/534936807.db2.gz VYXIMLOUWSQWJP-UHFFFAOYSA-N 1 2 224.329 1.807 10 0 BDAELO CCn1c(C)nnc1C[NH2+][C@H](C)c1cccnc1 ZINC000181634465 535976058 /nfs/dbraw/zinc/97/60/58/535976058.db2.gz WZNAZMRCZDQKQR-SNVBAGLBSA-N 1 2 245.330 1.852 10 0 BDAELO Clc1ncsc1[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000713481507 582478601 /nfs/dbraw/zinc/47/86/01/582478601.db2.gz AVIFAXYYRRVNPE-ZETCQYMHSA-N 1 2 240.719 1.755 10 0 BDAELO C[C@@H](O)CC[NH2+]c1ccc2c(c1)CCN2C ZINC000757131770 582506038 /nfs/dbraw/zinc/50/60/38/582506038.db2.gz QGBLVGCSDUFVOR-SNVBAGLBSA-N 1 2 220.316 1.862 10 0 BDAELO CCc1noc(C[N@@H+]2CCC[C@@H](C(C)=O)C2)n1 ZINC000111690396 582861007 /nfs/dbraw/zinc/86/10/07/582861007.db2.gz PKLMQUVJVLFWRV-SNVBAGLBSA-N 1 2 237.303 1.433 10 0 BDAELO CCNc1[nH+]c(CCCO)nc2[nH]ccc21 ZINC000757570028 586462331 /nfs/dbraw/zinc/46/23/31/586462331.db2.gz VJDJCDUWRKVMQG-UHFFFAOYSA-N 1 2 220.276 1.266 10 0 BDAELO C[C@H](O)c1ccc(N2CCn3cc[nH+]c3C2)nc1 ZINC000213280242 591458442 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ZINC000309444589 323408036 /nfs/dbraw/zinc/40/80/36/323408036.db2.gz KZHXXXSJMHJIEZ-UHFFFAOYSA-N 1 2 205.261 1.648 10 0 BDAELO Cc1[nH+]cn(-c2nccnc2Cl)c1C ZINC000051927499 350726084 /nfs/dbraw/zinc/72/60/84/350726084.db2.gz KOMLFHYMLRWIHZ-UHFFFAOYSA-N 1 2 208.652 1.933 10 0 BDAELO CC(C)(C)OC[C@H]([NH3+])C(=O)OC1CCCC1 ZINC000116101742 350727436 /nfs/dbraw/zinc/72/74/36/350727436.db2.gz RQIOBTFFWCWNGI-JTQLQIEISA-N 1 2 229.320 1.615 10 0 BDAELO [NH3+]CC[N@@H+]1CCC[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000616606521 350798306 /nfs/dbraw/zinc/79/83/06/350798306.db2.gz CHBQCQUNLMEGIP-GFCCVEGCSA-N 1 2 234.299 1.480 10 0 BDAELO [NH3+]CC[N@H+]1CCC[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000616606521 350798308 /nfs/dbraw/zinc/79/83/08/350798308.db2.gz CHBQCQUNLMEGIP-GFCCVEGCSA-N 1 2 234.299 1.480 10 0 BDAELO CNC(=O)c1cc(Oc2ccc(N)[nH+]c2)ccn1 ZINC000226022957 350893596 /nfs/dbraw/zinc/89/35/96/350893596.db2.gz KKGRUYGNAIKOBK-UHFFFAOYSA-N 1 2 244.254 1.211 10 0 BDAELO NC(=O)N1CCC[C@@H](Nc2cccc[nH+]2)C1 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/nfs/dbraw/zinc/09/08/86/351090886.db2.gz XRAQJKHRFRGJOG-QMMMGPOBSA-N 1 2 227.226 1.717 10 0 BDAELO CC(=O)N1CCCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000616625300 351093490 /nfs/dbraw/zinc/09/34/90/351093490.db2.gz YGVNSYFRFRGKBS-SNVBAGLBSA-N 1 2 207.277 1.873 10 0 BDAELO CC(=O)N1CCC[C@@H](c2cccc(N)[nH+]2)CC1 ZINC000616627335 351094417 /nfs/dbraw/zinc/09/44/17/351094417.db2.gz JAIVBOLRRWXCLT-LLVKDONJSA-N 1 2 233.315 1.780 10 0 BDAELO CC(=O)N1CCCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000616628456 351098385 /nfs/dbraw/zinc/09/83/85/351098385.db2.gz NKBGJDGAHAQDPT-JTQLQIEISA-N 1 2 207.277 1.526 10 0 BDAELO COC(=O)N1CCC[C@H](n2cc[nH+]c2)CC1 ZINC000616629221 351100156 /nfs/dbraw/zinc/10/01/56/351100156.db2.gz MRRVSFPLZIPDGC-JTQLQIEISA-N 1 2 223.276 1.677 10 0 BDAELO CC(C)(C)[N@@H+]1CCOC[C@H]1c1cnno1 ZINC000616641839 351151888 /nfs/dbraw/zinc/15/18/88/351151888.db2.gz RQSDANOMKOWBHN-QMMMGPOBSA-N 1 2 211.265 1.241 10 0 BDAELO CC(C)(C)[N@H+]1CCOC[C@H]1c1cnno1 ZINC000616641839 351151891 /nfs/dbraw/zinc/15/18/91/351151891.db2.gz RQSDANOMKOWBHN-QMMMGPOBSA-N 1 2 211.265 1.241 10 0 BDAELO CC(C)[N@@H+]1CCOC[C@H]1c1ccnnc1 ZINC000616641823 351152358 /nfs/dbraw/zinc/15/23/58/351152358.db2.gz RIJPZYHKODOOLC-NSHDSACASA-N 1 2 207.277 1.258 10 0 BDAELO CC(C)[N@H+]1CCOC[C@H]1c1ccnnc1 ZINC000616641823 351152361 /nfs/dbraw/zinc/15/23/61/351152361.db2.gz RIJPZYHKODOOLC-NSHDSACASA-N 1 2 207.277 1.258 10 0 BDAELO CC(C)(C)[N@@H+]1CCCOC[C@@H]1c1nnc[nH]1 ZINC000616646054 351169777 /nfs/dbraw/zinc/16/97/77/351169777.db2.gz NGBPWZAOECWRKD-SECBINFHSA-N 1 2 224.308 1.367 10 0 BDAELO CC(C)(C)[N@H+]1CCCOC[C@@H]1c1nnc[nH]1 ZINC000616646054 351169780 /nfs/dbraw/zinc/16/97/80/351169780.db2.gz NGBPWZAOECWRKD-SECBINFHSA-N 1 2 224.308 1.367 10 0 BDAELO CC(=O)N1c2ccccc2NC[C@H]1c1[nH]cc[nH+]1 ZINC000616686741 351256806 /nfs/dbraw/zinc/25/68/06/351256806.db2.gz QYYYYCORCNKZGS-LBPRGKRZSA-N 1 2 242.282 1.929 10 0 BDAELO NC(=[NH2+])c1cc(C(F)(F)F)ccc1O ZINC000034978180 351371240 /nfs/dbraw/zinc/37/12/40/351371240.db2.gz HOUMPVNLHPICCS-UHFFFAOYSA-N 1 2 204.151 1.695 10 0 BDAELO C[C@H]1C[NH+](CC(=O)C(C)(C)C)C[C@H](C)O1 ZINC000034981432 351373148 /nfs/dbraw/zinc/37/31/48/351373148.db2.gz MEMQEZFMZUEQDA-UWVGGRQHSA-N 1 2 213.321 1.711 10 0 BDAELO C[NH+]1CC(Nc2nc(Cl)cs2)C1 ZINC000307060828 351459061 /nfs/dbraw/zinc/45/90/61/351459061.db2.gz DYKBYXALKHPODL-UHFFFAOYSA-N 1 2 203.698 1.522 10 0 BDAELO C[C@@H]1SCC[C@@H]1Nc1c[nH+]cc(N)c1 ZINC000307305809 351932427 /nfs/dbraw/zinc/93/24/27/351932427.db2.gz IMIIMTCWDVJUMT-XVKPBYJWSA-N 1 2 209.318 1.970 10 0 BDAELO C[NH+]1CCN(c2nc(Cl)ncc2Cl)CC1 ZINC000086621794 352429259 /nfs/dbraw/zinc/42/92/59/352429259.db2.gz QCBJEOXQJNDYDU-UHFFFAOYSA-N 1 2 247.129 1.535 10 0 BDAELO C/C(=C\Cl)C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000300400866 352562776 /nfs/dbraw/zinc/56/27/76/352562776.db2.gz CPPKASWFEATISA-ZCFALZCBSA-N 1 2 219.712 1.211 10 0 BDAELO C/C(=C\Cl)C[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000300400866 352562777 /nfs/dbraw/zinc/56/27/77/352562777.db2.gz CPPKASWFEATISA-ZCFALZCBSA-N 1 2 219.712 1.211 10 0 BDAELO CCC[NH2+]CC(F)(F)Br ZINC000307651475 352741774 /nfs/dbraw/zinc/74/17/74/352741774.db2.gz RSERPENBLVWOLY-UHFFFAOYSA-N 1 2 202.042 1.974 10 0 BDAELO C[NH2+][C@@H](c1cnn(C)c1)c1ccsn1 ZINC000307559651 353084308 /nfs/dbraw/zinc/08/43/08/353084308.db2.gz WYUZMCNRYSYRRR-VIFPVBQESA-N 1 2 208.290 1.185 10 0 BDAELO CCO[C@@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC000079839228 538111187 /nfs/dbraw/zinc/11/11/87/538111187.db2.gz IZKWLXODFALTDT-IUCAKERBSA-N 1 2 215.293 1.095 10 0 BDAELO Cc1nn(Cc2ccccc2)c2nc[nH+]c(N)c12 ZINC000082305182 188270681 /nfs/dbraw/zinc/27/06/81/188270681.db2.gz AZOWOSSRRBMUTL-UHFFFAOYSA-N 1 2 239.282 1.765 10 0 BDAELO C(c1nnnn1C1CCCC1)[NH+]1CCCCC1 ZINC000004190384 188275769 /nfs/dbraw/zinc/27/57/69/188275769.db2.gz KQULFGVVJDMLEY-UHFFFAOYSA-N 1 2 235.335 1.774 10 0 BDAELO COc1ccc([C@H]([NH3+])c2ncon2)cc1OC ZINC000036761946 188286657 /nfs/dbraw/zinc/28/66/57/188286657.db2.gz FPCQSWQABMKIGE-JTQLQIEISA-N 1 2 235.243 1.135 10 0 BDAELO COc1ccc([C@H](O)Cn2cc[nH+]c2)cc1OC ZINC000039042891 188290554 /nfs/dbraw/zinc/29/05/54/188290554.db2.gz SPCVXGJFKXIQMZ-LLVKDONJSA-N 1 2 248.282 1.634 10 0 BDAELO CNc1[nH+]cc(N(C)C)cc1OC1CC1 ZINC000095729481 188320004 /nfs/dbraw/zinc/32/00/04/188320004.db2.gz RZPNQFVJANTUDH-UHFFFAOYSA-N 1 2 207.277 1.731 10 0 BDAELO CN(C)c1[nH]c([NH3+])cc1Br ZINC000106963195 188324702 /nfs/dbraw/zinc/32/47/02/188324702.db2.gz AZRWREFICKAUMC-UHFFFAOYSA-N 1 2 204.071 1.425 10 0 BDAELO CC1(C)C[C@@H]1Nc1cc[nH+]c(C(N)=S)c1 ZINC000061813234 188360930 /nfs/dbraw/zinc/36/09/30/188360930.db2.gz PJWNYUQTMKDUSQ-VIFPVBQESA-N 1 2 221.329 1.926 10 0 BDAELO OCc1nc([C@@H]2CSCC[NH2+]2)cs1 ZINC000165845821 353748664 /nfs/dbraw/zinc/74/86/64/353748664.db2.gz FAZYUKAAOOTZFY-LURJTMIESA-N 1 2 216.331 1.013 10 0 BDAELO [NH2+]=C(NO)C1C=Nc2cccc(Cl)c21 ZINC000137479499 491062770 /nfs/dbraw/zinc/06/27/70/491062770.db2.gz HYXSDZAZOFRJBU-UITAMQMPSA-N 1 2 209.636 1.662 10 0 BDAELO CC(C)C[C@@H](C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000184716271 535264568 /nfs/dbraw/zinc/26/45/68/535264568.db2.gz KMVAPRBRZLLSNG-NEPJUHHUSA-N 1 2 242.363 1.115 10 0 BDAELO CC(C)C[C@@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000184716271 535264572 /nfs/dbraw/zinc/26/45/72/535264572.db2.gz KMVAPRBRZLLSNG-NEPJUHHUSA-N 1 2 242.363 1.115 10 0 BDAELO NC(=[NH2+])Nc1nnc(-c2ccc(F)cc2)s1 ZINC000028010161 181191021 /nfs/dbraw/zinc/19/10/21/181191021.db2.gz JRNMQQYXULKEKS-UHFFFAOYSA-N 1 2 237.263 1.650 10 0 BDAELO [NH2+]=C(NO)c1cccnc1C(F)(F)F ZINC000075895905 181200397 /nfs/dbraw/zinc/20/03/97/181200397.db2.gz PCOWFFKKPOEGEB-UHFFFAOYSA-N 1 2 205.139 1.405 10 0 BDAELO COC[C@@H](C)[NH2+]Cc1nnc(C2CC2)o1 ZINC000379995246 538463803 /nfs/dbraw/zinc/46/38/03/538463803.db2.gz IWBNXFVHPUTHFQ-SSDOTTSWSA-N 1 2 211.265 1.072 10 0 BDAELO NC(=O)c1cc([NH2+]CC[C@H]2CCCO2)ccc1N ZINC000044511551 181291222 /nfs/dbraw/zinc/29/12/22/181291222.db2.gz HJNHZCBFNZKMQB-SNVBAGLBSA-N 1 2 249.314 1.349 10 0 BDAELO Cc1cnc([C@H](C)[NH2+]Cc2ccnn2C)o1 ZINC000230646608 357543081 /nfs/dbraw/zinc/54/30/81/357543081.db2.gz BXVNKDAISJWDFJ-VIFPVBQESA-N 1 2 220.276 1.567 10 0 BDAELO COc1ccc[nH+]c1N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398961448 357892095 /nfs/dbraw/zinc/89/20/95/357892095.db2.gz VCNRUBDQPLKSMF-SRVKXCTJSA-N 1 2 248.326 1.687 10 0 BDAELO CC(C)[N@@H+]1C[C@H](CO)O[C@@H]1c1ccccc1 ZINC000039247431 358224297 /nfs/dbraw/zinc/22/42/97/358224297.db2.gz HNOAXSVPMXZKBT-CHWSQXEVSA-N 1 2 221.300 1.787 10 0 BDAELO CC(C)[N@H+]1C[C@H](CO)O[C@@H]1c1ccccc1 ZINC000039247431 358224301 /nfs/dbraw/zinc/22/43/01/358224301.db2.gz HNOAXSVPMXZKBT-CHWSQXEVSA-N 1 2 221.300 1.787 10 0 BDAELO O=C(CCn1cc[nH+]c1)c1ccc(O)cc1 ZINC000584613526 358278040 /nfs/dbraw/zinc/27/80/40/358278040.db2.gz PCMJRDOQTYCMHC-UHFFFAOYSA-N 1 2 216.240 1.862 10 0 BDAELO C[NH+](C)C1(C(O)=CC(=O)OC(C)(C)C)CC1 ZINC000584601891 358259440 /nfs/dbraw/zinc/25/94/40/358259440.db2.gz JRRLGABRMAHTAL-UHFFFAOYSA-N 1 2 227.304 1.382 10 0 BDAELO CC[C@H](C)NC(=O)C[NH+]1[C@@H](C)COC[C@@H]1C ZINC000172667278 134267460 /nfs/dbraw/zinc/26/74/60/134267460.db2.gz SQHVMYWULLSZKG-DCAQKATOSA-N 1 2 228.336 1.010 10 0 BDAELO Cc1nc([C@@H]2C[N@H+](CCC(C)C)CCO2)n[nH]1 ZINC000173669686 134275850 /nfs/dbraw/zinc/27/58/50/134275850.db2.gz ADGGYSJOGKVQPY-NSHDSACASA-N 1 2 238.335 1.533 10 0 BDAELO Cc1nc([C@@H]2C[N@@H+](CCC(C)C)CCO2)n[nH]1 ZINC000173669686 134275851 /nfs/dbraw/zinc/27/58/51/134275851.db2.gz ADGGYSJOGKVQPY-NSHDSACASA-N 1 2 238.335 1.533 10 0 BDAELO CCCCC[N@@H+]1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000173669668 134275762 /nfs/dbraw/zinc/27/57/62/134275762.db2.gz GUNYDZDDSYFGPQ-LLVKDONJSA-N 1 2 238.335 1.677 10 0 BDAELO CCCCC[N@H+]1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000173669668 134275763 /nfs/dbraw/zinc/27/57/63/134275763.db2.gz GUNYDZDDSYFGPQ-LLVKDONJSA-N 1 2 238.335 1.677 10 0 BDAELO CC(C)NC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000177780473 134299779 /nfs/dbraw/zinc/29/97/79/134299779.db2.gz GKUHPLBQCJPWQK-VIFPVBQESA-N 1 2 207.277 1.285 10 0 BDAELO CC(C)(C)CC(=O)N1CCn2cc[nH+]c2C1 ZINC000074785177 359128753 /nfs/dbraw/zinc/12/87/53/359128753.db2.gz HQPMJEHOEBEJFE-UHFFFAOYSA-N 1 2 221.304 1.662 10 0 BDAELO C[C@@H](Nc1cc(N)cc(Cl)[nH+]1)[C@H](C)O ZINC000306210248 359303173 /nfs/dbraw/zinc/30/31/73/359303173.db2.gz GMCJDNAQDZEKCW-RITPCOANSA-N 1 2 215.684 1.498 10 0 BDAELO Cc1cnc([C@H]([NH3+])c2ccsn2)cn1 ZINC000306211862 359305431 /nfs/dbraw/zinc/30/54/31/359305431.db2.gz VAKWCXKIKMPZDE-SECBINFHSA-N 1 2 206.274 1.290 10 0 BDAELO C[C@H](O)C(C)(C)C[N@@H+]1CCC(F)(F)C1 ZINC000306246377 359435531 /nfs/dbraw/zinc/43/55/31/359435531.db2.gz RJVKDZKFIUTWRP-QMMMGPOBSA-N 1 2 207.264 1.734 10 0 BDAELO C[C@H](O)C(C)(C)C[N@H+]1CCC(F)(F)C1 ZINC000306246377 359435534 /nfs/dbraw/zinc/43/55/34/359435534.db2.gz RJVKDZKFIUTWRP-QMMMGPOBSA-N 1 2 207.264 1.734 10 0 BDAELO CC(C)c1ccc(NC(=O)[C@H]2COCC[NH2+]2)cc1 ZINC000088357646 359947838 /nfs/dbraw/zinc/94/78/38/359947838.db2.gz SCMXJHMMMFXPPN-CYBMUJFWSA-N 1 2 248.326 1.737 10 0 BDAELO O=C1CC[NH+](C[C@@H]2CC2(Cl)Cl)CC1 ZINC000306461260 360071171 /nfs/dbraw/zinc/07/11/71/360071171.db2.gz GAJSJVNYMVQRLJ-ZETCQYMHSA-N 1 2 222.115 1.845 10 0 BDAELO Cc1[nH+]cccc1C[C@@H]1CSC[C@H]1O ZINC000306554903 360427829 /nfs/dbraw/zinc/42/78/29/360427829.db2.gz CJJRULOYEXFENV-GHMZBOCLSA-N 1 2 209.314 1.656 10 0 BDAELO CCC[C@@H]1[NH2+]CN([C@@H]2CCSC2)C1=O ZINC000231468215 360433222 /nfs/dbraw/zinc/43/32/22/360433222.db2.gz FLAOPHPGXGJSFE-BDAKNGLRSA-N 1 2 214.334 1.050 10 0 BDAELO COc1cc([C@H]([NH3+])c2ccns2)sn1 ZINC000306596160 360517312 /nfs/dbraw/zinc/51/73/12/360517312.db2.gz YPECGEGMZZRWBA-MRVPVSSYSA-N 1 2 227.314 1.656 10 0 BDAELO Cn1cnnc1C[NH2+][C@H]1CCc2c1cccc2O ZINC000038007782 363899301 /nfs/dbraw/zinc/89/93/01/363899301.db2.gz CRZYVNSCJCBZCA-NSHDSACASA-N 1 2 244.298 1.298 10 0 BDAELO CC(C)c1nsc(N[C@@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000630532388 364222041 /nfs/dbraw/zinc/22/20/41/364222041.db2.gz IGCDFUWZBGAUOD-DTWKUNHWSA-N 1 2 240.376 1.636 10 0 BDAELO CCc1nsc(N[C@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000630531702 364225085 /nfs/dbraw/zinc/22/50/85/364225085.db2.gz CNLGLSUKBKHPKL-YUMQZZPRSA-N 1 2 226.349 1.075 10 0 BDAELO [NH3+]CC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000044419262 181398031 /nfs/dbraw/zinc/39/80/31/181398031.db2.gz KFADBNJSHSIGIJ-UHFFFAOYSA-N 1 2 202.660 1.527 10 0 BDAELO C[C@@H](Nc1nc(C(F)(F)F)ns1)[C@H](C)[NH3+] ZINC000381758179 367454121 /nfs/dbraw/zinc/45/41/21/367454121.db2.gz OIEZOAGHYXRRFD-IUYQGCFVSA-N 1 2 240.254 1.126 10 0 BDAELO CC(=O)N1CCc2ccccc2[C@@H]1c1[nH]cc[nH+]1 ZINC000616692367 369114884 /nfs/dbraw/zinc/11/48/84/369114884.db2.gz OPRBBVOXJBOGNN-CYBMUJFWSA-N 1 2 241.294 1.904 10 0 BDAELO COCCn1ccc2[nH+]ccc(OC)c21 ZINC000117898245 370982124 /nfs/dbraw/zinc/98/21/24/370982124.db2.gz ADYAOKQXIJHIHI-UHFFFAOYSA-N 1 2 206.245 1.691 10 0 BDAELO C[N@@H+]1CCO[C@@H]([C@@H](O)c2cccs2)C1 ZINC000217837176 372017084 /nfs/dbraw/zinc/01/70/84/372017084.db2.gz MHSRCIQEAPYVTJ-PSASIEDQSA-N 1 2 213.302 1.112 10 0 BDAELO C[N@H+]1CCO[C@@H]([C@@H](O)c2cccs2)C1 ZINC000217837176 372017089 /nfs/dbraw/zinc/01/70/89/372017089.db2.gz MHSRCIQEAPYVTJ-PSASIEDQSA-N 1 2 213.302 1.112 10 0 BDAELO C[NH+](C)CC1N=NC(=S)N1C(C)(C)C ZINC000228210608 372004173 /nfs/dbraw/zinc/00/41/73/372004173.db2.gz DJBSMUUQMMHEKY-UHFFFAOYSA-N 1 2 214.338 1.383 10 0 BDAELO O=C1CC[N@H+](C[C@H]2CSCCS2)C1 ZINC000229613436 372173086 /nfs/dbraw/zinc/17/30/86/372173086.db2.gz MSWGTDFCLFYNQM-VIFPVBQESA-N 1 2 217.359 1.110 10 0 BDAELO O=C1CC[N@@H+](C[C@H]2CSCCS2)C1 ZINC000229613436 372173090 /nfs/dbraw/zinc/17/30/90/372173090.db2.gz MSWGTDFCLFYNQM-VIFPVBQESA-N 1 2 217.359 1.110 10 0 BDAELO Cc1nccc([C@H](C)c2c[nH]c[nH+]2)c1CO ZINC000143191862 374141314 /nfs/dbraw/zinc/14/13/14/374141314.db2.gz BTQQIKBJAVAVMT-QMMMGPOBSA-N 1 2 217.272 1.757 10 0 BDAELO Cc1nc(C)c(C[NH2+]Cc2ccccn2)o1 ZINC000382369576 374237940 /nfs/dbraw/zinc/23/79/40/374237940.db2.gz LWPPYESWTDQHLJ-UHFFFAOYSA-N 1 2 217.272 1.976 10 0 BDAELO O=C(N[C@H]1C[NH2+]Cc2ccccc21)C(F)(F)F ZINC000082805230 182341868 /nfs/dbraw/zinc/34/18/68/182341868.db2.gz PMKORTZDLSJBKK-VIFPVBQESA-N 1 2 244.216 1.509 10 0 BDAELO O[C@H](C[NH+]1CC(n2cccn2)C1)CC(F)(F)F ZINC000372734744 183219741 /nfs/dbraw/zinc/21/97/41/183219741.db2.gz CVYNYWOVXDVHEB-VIFPVBQESA-N 1 2 249.236 1.053 10 0 BDAELO CCCNC(=O)[C@@H](C)Nc1ccc([NH3+])cc1C ZINC000049194309 169242783 /nfs/dbraw/zinc/24/27/83/169242783.db2.gz MCMAFEJJFJQDOQ-SNVBAGLBSA-N 1 2 235.331 1.904 10 0 BDAELO c1ccc(CC[NH2+]N2CCOCC2)cc1 ZINC000019167203 183392901 /nfs/dbraw/zinc/39/29/01/183392901.db2.gz RVGVLMMUPGHNSB-UHFFFAOYSA-N 1 2 206.289 1.066 10 0 BDAELO CCC[NH2+]c1ccc(-n2cnnn2)c(C)c1 ZINC000037104094 169294391 /nfs/dbraw/zinc/29/43/91/169294391.db2.gz BHQASXQUORWLMS-UHFFFAOYSA-N 1 2 217.276 1.793 10 0 BDAELO CCC[C@@H](C)CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000195456927 169355626 /nfs/dbraw/zinc/35/56/26/169355626.db2.gz MMLUGNPJFFDRHV-NEPJUHHUSA-N 1 2 242.363 1.260 10 0 BDAELO CCC[C@@H](C)CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000195456927 169355628 /nfs/dbraw/zinc/35/56/28/169355628.db2.gz MMLUGNPJFFDRHV-NEPJUHHUSA-N 1 2 242.363 1.260 10 0 BDAELO CC(C)c1nc(C[N@H+]2CC[C@@H](CCO)C2)no1 ZINC000227575153 134386036 /nfs/dbraw/zinc/38/60/36/134386036.db2.gz XDWSGASGUISDOP-JTQLQIEISA-N 1 2 239.319 1.397 10 0 BDAELO COC(=O)[C@@H]1C[C@H](c2cccc(OC)c2)CC[NH2+]1 ZINC000079026256 384479281 /nfs/dbraw/zinc/47/92/81/384479281.db2.gz JVPUBJNOZTVFTR-YPMHNXCESA-N 1 2 249.310 1.704 10 0 BDAELO COC(=O)[C@@H]1CC[C@H](c2cccc(O)c2)C[NH2+]1 ZINC000079026604 384480357 /nfs/dbraw/zinc/48/03/57/384480357.db2.gz ADHTYWZYGFDAGS-JQWIXIFHSA-N 1 2 235.283 1.401 10 0 BDAELO COC(=O)N1c2sccc2N=C[C@H]1[NH3+] ZINC000100236686 384625488 /nfs/dbraw/zinc/62/54/88/384625488.db2.gz UWVCSJWTPXDZBO-LURJTMIESA-N 1 2 211.246 1.322 10 0 BDAELO CCCCCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000309819458 384640074 /nfs/dbraw/zinc/64/00/74/384640074.db2.gz DFHIJAMBJAPUOT-QMMMGPOBSA-N 1 2 220.263 1.290 10 0 BDAELO CC(C)[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000103478966 384776664 /nfs/dbraw/zinc/77/66/64/384776664.db2.gz PWSSPCLGBFKWPL-SECBINFHSA-N 1 2 212.318 1.925 10 0 BDAELO CC(C)[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000103478966 384776667 /nfs/dbraw/zinc/77/66/67/384776667.db2.gz PWSSPCLGBFKWPL-SECBINFHSA-N 1 2 212.318 1.925 10 0 BDAELO CCOC(=O)[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000259049210 384763653 /nfs/dbraw/zinc/76/36/53/384763653.db2.gz BQRQNSIFLYZHQN-LLVKDONJSA-N 1 2 225.263 1.992 10 0 BDAELO CCCC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177776738 384841287 /nfs/dbraw/zinc/84/12/87/384841287.db2.gz BUARNRANVUASOA-LLVKDONJSA-N 1 2 221.304 1.674 10 0 BDAELO Cc1cnc(NC[C@@H]2C[N@H+](C)CCO2)s1 ZINC000302095391 384965352 /nfs/dbraw/zinc/96/53/52/384965352.db2.gz IUXVQHLATJFKBM-SECBINFHSA-N 1 2 227.333 1.194 10 0 BDAELO Cc1cnc(NC[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000302095391 384965359 /nfs/dbraw/zinc/96/53/59/384965359.db2.gz IUXVQHLATJFKBM-SECBINFHSA-N 1 2 227.333 1.194 10 0 BDAELO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(C)[nH]2)o1 ZINC000129816525 385191264 /nfs/dbraw/zinc/19/12/64/385191264.db2.gz HPQUJZSRUQLNFG-MRVPVSSYSA-N 1 2 220.276 1.865 10 0 BDAELO COC(=O)[C@H]([NH3+])[C@@H](C)Oc1ccccc1F ZINC000169726735 385418167 /nfs/dbraw/zinc/41/81/67/385418167.db2.gz JFMXGMRORDTAKF-GMSGAONNSA-N 1 2 227.235 1.093 10 0 BDAELO COC(=O)[C@@H]([NH3+])COc1ccccc1Cl ZINC000169726702 385418476 /nfs/dbraw/zinc/41/84/76/385418476.db2.gz WRXWJFUAHXXTOF-QMMMGPOBSA-N 1 2 229.663 1.219 10 0 BDAELO C/C(=C/c1c[nH+]c2ccccn12)[N+](=O)[O-] ZINC000199613520 385568239 /nfs/dbraw/zinc/56/82/39/385568239.db2.gz WMOQYBCFEIDJHU-VURMDHGXSA-N 1 2 203.201 1.972 10 0 BDAELO Nc1ccc(NC(=O)C(F)(F)F)c[nH+]1 ZINC000062810291 385630457 /nfs/dbraw/zinc/63/04/57/385630457.db2.gz OXIFQCWQONCUGV-UHFFFAOYSA-N 1 2 205.139 1.165 10 0 BDAELO C[C@@H]1C[C@H]1[NH2+]c1ccc(N)c(C(N)=O)c1 ZINC000052300319 385725107 /nfs/dbraw/zinc/72/51/07/385725107.db2.gz PBMGORPFUJFIBZ-LHLIQPBNSA-N 1 2 205.261 1.188 10 0 BDAELO CCC[C@@H]1C[C@@H]1Nc1nc(C)[nH+]c(N)n1 ZINC000308901324 385906376 /nfs/dbraw/zinc/90/63/76/385906376.db2.gz UIYLRWAVGRSACZ-SFYZADRCSA-N 1 2 207.281 1.363 10 0 BDAELO CCC[C@@H]1C[C@@H]1Nc1nc(N)nc(C)[nH+]1 ZINC000308901324 385906379 /nfs/dbraw/zinc/90/63/79/385906379.db2.gz UIYLRWAVGRSACZ-SFYZADRCSA-N 1 2 207.281 1.363 10 0 BDAELO CC[C@@H](Nc1nc(C)[nH+]c(N)n1)C(C)C ZINC000308901924 385908629 /nfs/dbraw/zinc/90/86/29/385908629.db2.gz ULRNGDMLZSGFEI-MRVPVSSYSA-N 1 2 209.297 1.609 10 0 BDAELO CC[C@@H](Nc1nc(N)nc(C)[nH+]1)C(C)C ZINC000308901924 385908630 /nfs/dbraw/zinc/90/86/30/385908630.db2.gz ULRNGDMLZSGFEI-MRVPVSSYSA-N 1 2 209.297 1.609 10 0 BDAELO CCc1nnc(C[N@@H+]2C[C@H](O)CC[C@@H]2C)s1 ZINC000643254817 385995302 /nfs/dbraw/zinc/99/53/02/385995302.db2.gz SJGAKTGWLPMPJA-DTWKUNHWSA-N 1 2 241.360 1.446 10 0 BDAELO CCc1nnc(C[N@H+]2C[C@H](O)CC[C@@H]2C)s1 ZINC000643254817 385995309 /nfs/dbraw/zinc/99/53/09/385995309.db2.gz SJGAKTGWLPMPJA-DTWKUNHWSA-N 1 2 241.360 1.446 10 0 BDAELO CCC(CC)C(=O)NCCc1c[nH+]c[nH]1 ZINC000011638976 386215491 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SXCSAMZFXXXVCJ-UHFFFAOYSA-N 1 2 225.340 1.732 10 0 BDAELO CC(C)CC[N@@H+](C)Cc1nnnn1C(C)C ZINC000195095097 388459494 /nfs/dbraw/zinc/45/94/94/388459494.db2.gz SXCSAMZFXXXVCJ-UHFFFAOYSA-N 1 2 225.340 1.732 10 0 BDAELO Cn1nccc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000245541667 388423098 /nfs/dbraw/zinc/42/30/98/388423098.db2.gz OPHSBLAKYJTWHH-CHWSQXEVSA-N 1 2 235.331 1.564 10 0 BDAELO Cn1nccc1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000245541667 388423101 /nfs/dbraw/zinc/42/31/01/388423101.db2.gz OPHSBLAKYJTWHH-CHWSQXEVSA-N 1 2 235.331 1.564 10 0 BDAELO C[C@@H]1CCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000230173511 388819058 /nfs/dbraw/zinc/81/90/58/388819058.db2.gz YGOYCCKOXMTEJQ-PSASIEDQSA-N 1 2 207.277 1.462 10 0 BDAELO C[C@@H]1CCC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000230173511 388819062 /nfs/dbraw/zinc/81/90/62/388819062.db2.gz YGOYCCKOXMTEJQ-PSASIEDQSA-N 1 2 207.277 1.462 10 0 BDAELO Cc1c[nH+]ccc1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000153265095 388957580 /nfs/dbraw/zinc/95/75/80/388957580.db2.gz 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CCc1[nH+]c2ccccc2n1CCCO ZINC000040389317 172014482 /nfs/dbraw/zinc/01/44/82/172014482.db2.gz HHFOGLIAWQAXRG-UHFFFAOYSA-N 1 2 204.273 1.981 10 0 BDAELO CN(C)C(=O)CNC1=[NH+]C2(CCCC2)CS1 ZINC000053046626 172369534 /nfs/dbraw/zinc/36/95/34/172369534.db2.gz WGADBLDKVIXSMV-UHFFFAOYSA-N 1 2 241.360 1.080 10 0 BDAELO CNC(=O)[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000042560287 173295658 /nfs/dbraw/zinc/29/56/58/173295658.db2.gz CJWRZCICXPVXCC-HTQZYQBOSA-N 1 2 242.269 1.750 10 0 BDAELO CNC(=O)[C@@H](C)Nc1ccc2[nH+]cccc2c1N ZINC000042561372 173295806 /nfs/dbraw/zinc/29/58/06/173295806.db2.gz ITDAKKYSHUPRDQ-MRVPVSSYSA-N 1 2 244.298 1.363 10 0 BDAELO CNC(=O)[C@@H](C)n1cc[nH+]c1-c1cccc(N)c1 ZINC000037557087 173296138 /nfs/dbraw/zinc/29/61/38/173296138.db2.gz HPDLDXJJBREAEZ-SECBINFHSA-N 1 2 244.298 1.439 10 0 BDAELO C[NH2+]CC(=O)OCc1ccc(OC)c(F)c1 ZINC000077340804 173334580 /nfs/dbraw/zinc/33/45/80/173334580.db2.gz FQGXRALDBSHQPG-UHFFFAOYSA-N 1 2 227.235 1.097 10 0 BDAELO C[NH2+]CC(=O)OCc1cc(C)n(C(C)C)c1C ZINC000077384034 173335114 /nfs/dbraw/zinc/33/51/14/173335114.db2.gz FSHSAXGBZICWCC-UHFFFAOYSA-N 1 2 238.331 1.948 10 0 BDAELO C[NH2+]CC(=O)OCc1cc(C)c(C)cc1OC ZINC000077374199 173335599 /nfs/dbraw/zinc/33/55/99/173335599.db2.gz CSFUROVWZQGLGB-UHFFFAOYSA-N 1 2 237.299 1.575 10 0 BDAELO COc1ccc(C)cc1Nc1nc[nH+]c(N)c1N ZINC000040684174 175078913 /nfs/dbraw/zinc/07/89/13/175078913.db2.gz HFBHSNDAEGHTAL-UHFFFAOYSA-N 1 2 245.286 1.702 10 0 BDAELO COc1ccc(N)cc1Cn1cc[nH+]c1 ZINC000036722250 175138177 /nfs/dbraw/zinc/13/81/77/175138177.db2.gz WNJYDCGPXIAQTF-UHFFFAOYSA-N 1 2 203.245 1.522 10 0 BDAELO COc1ccc(N)cc1NC(=O)Cn1cc[nH+]c1 ZINC000022213360 175138613 /nfs/dbraw/zinc/13/86/13/175138613.db2.gz OPRMPYGLQMCHCE-UHFFFAOYSA-N 1 2 246.270 1.113 10 0 BDAELO COc1ccc2[nH]c(CC[C@H](C)O)[nH+]c2c1 ZINC000026462129 175228739 /nfs/dbraw/zinc/22/87/39/175228739.db2.gz CHIYLEKBLJNNFR-QMMMGPOBSA-N 1 2 220.272 1.885 10 0 BDAELO COc1cccc(C[N@H+]2[C@H](C)COC[C@@H]2C)n1 ZINC000172668341 175261143 /nfs/dbraw/zinc/26/11/43/175261143.db2.gz RQGBBMBTAFLQMR-PHIMTYICSA-N 1 2 236.315 1.699 10 0 BDAELO COc1cccc(C[N@@H+]2[C@H](C)COC[C@@H]2C)n1 ZINC000172668341 175261145 /nfs/dbraw/zinc/26/11/45/175261145.db2.gz RQGBBMBTAFLQMR-PHIMTYICSA-N 1 2 236.315 1.699 10 0 BDAELO COc1cccc(F)c1[C@@H]1COCC[NH2+]1 ZINC000076136555 175274619 /nfs/dbraw/zinc/27/46/19/175274619.db2.gz IYCQEBSDRCUFHC-VIFPVBQESA-N 1 2 211.236 1.495 10 0 BDAELO COc1cccc(NCc2[nH]cc[nH+]2)n1 ZINC000070646509 175279156 /nfs/dbraw/zinc/27/91/56/175279156.db2.gz LWZRTIJOEXRFEN-UHFFFAOYSA-N 1 2 204.233 1.425 10 0 BDAELO COc1ccccc1NC(=O)[C@H]1CSC[NH2+]1 ZINC000019502283 175337061 /nfs/dbraw/zinc/33/70/61/175337061.db2.gz WNYQMLUOPMGKQG-SECBINFHSA-N 1 2 238.312 1.296 10 0 BDAELO COc1ccccc1NCC[NH+]1CCN(C)CC1 ZINC000041304602 175337380 /nfs/dbraw/zinc/33/73/80/175337380.db2.gz JOMGHCPSYCATEP-UHFFFAOYSA-N 1 2 249.358 1.355 10 0 BDAELO COc1c[nH+]cc(N(C)C)c1OC1CC1 ZINC000095731083 175386421 /nfs/dbraw/zinc/38/64/21/175386421.db2.gz AZBHVRZAOIPPMC-UHFFFAOYSA-N 1 2 208.261 1.697 10 0 BDAELO COc1nc(N[C@H](C)Cn2cc[nH+]c2)ccc1N ZINC000049234749 175396263 /nfs/dbraw/zinc/39/62/63/175396263.db2.gz DUNRLPFRAVYFET-SECBINFHSA-N 1 2 247.302 1.370 10 0 BDAELO C[C@@H]1CCC(=O)[C@@H](C[N@H+](C)Cc2nccn2C)C1 ZINC000062321763 176061040 /nfs/dbraw/zinc/06/10/40/176061040.db2.gz CGFSGVHFRSVCNP-VXGBXAGGSA-N 1 2 249.358 1.857 10 0 BDAELO C[C@@H]1CCC(=O)[C@@H](C[N@@H+](C)Cc2nccn2C)C1 ZINC000062321763 176061041 /nfs/dbraw/zinc/06/10/41/176061041.db2.gz CGFSGVHFRSVCNP-VXGBXAGGSA-N 1 2 249.358 1.857 10 0 BDAELO C[C@@H]1CCC[N@@H+]1c1ccc(N)cc1C(N)=O ZINC000041046052 176111677 /nfs/dbraw/zinc/11/16/77/176111677.db2.gz PBNCYZMZXBMGOR-MRVPVSSYSA-N 1 2 219.288 1.356 10 0 BDAELO C[C@@H]1CCC[N@H+]1c1ccc(N)cc1C(N)=O ZINC000041046052 176111679 /nfs/dbraw/zinc/11/16/79/176111679.db2.gz PBNCYZMZXBMGOR-MRVPVSSYSA-N 1 2 219.288 1.356 10 0 BDAELO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1nnsc1N ZINC000050792794 176116495 /nfs/dbraw/zinc/11/64/95/176116495.db2.gz BRUDOVGXEKDMPI-HTQZYQBOSA-N 1 2 226.349 1.883 10 0 BDAELO C[C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)O1 ZINC000329360306 176194262 /nfs/dbraw/zinc/19/42/62/176194262.db2.gz IBRRJHGIQILRKW-VWYCJHECSA-N 1 2 249.314 1.641 10 0 BDAELO C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)O1 ZINC000329360302 176219820 /nfs/dbraw/zinc/21/98/20/176219820.db2.gz IBRRJHGIQILRKW-OUAUKWLOSA-N 1 2 249.314 1.641 10 0 BDAELO C[C@@H]1COCC[N@@H+]1CCNc1ccccc1F ZINC000053381571 176336513 /nfs/dbraw/zinc/33/65/13/176336513.db2.gz MXMZORQEJMJAIJ-LLVKDONJSA-N 1 2 238.306 1.958 10 0 BDAELO C[C@@H]1COCC[N@H+]1CCNc1ccccc1F ZINC000053381571 176336514 /nfs/dbraw/zinc/33/65/14/176336514.db2.gz MXMZORQEJMJAIJ-LLVKDONJSA-N 1 2 238.306 1.958 10 0 BDAELO C[C@H](O)[C@H]([NH3+])c1nc(Cc2cccs2)no1 ZINC000052899654 177014097 /nfs/dbraw/zinc/01/40/97/177014097.db2.gz NIFFOUFPTBAGSA-RCOVLWMOSA-N 1 2 239.300 1.103 10 0 BDAELO C[C@H]1CCC[C@]2(CCSC(N)=[NH+]2)O1 ZINC000169316164 177144756 /nfs/dbraw/zinc/14/47/56/177144756.db2.gz WBMCXFZAUASWLX-IONNQARKSA-N 1 2 200.307 1.723 10 0 BDAELO C[C@@H]1COC[C@H](C)[N@H+]1Cc1ccc(CO)o1 ZINC000093607150 177298828 /nfs/dbraw/zinc/29/88/28/177298828.db2.gz HHPPHCSPRIQMJS-AOOOYVTPSA-N 1 2 225.288 1.381 10 0 BDAELO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1ccc(CO)o1 ZINC000093607150 177298829 /nfs/dbraw/zinc/29/88/29/177298829.db2.gz HHPPHCSPRIQMJS-AOOOYVTPSA-N 1 2 225.288 1.381 10 0 BDAELO Cc1cc(NC(=O)[C@H]2CC[C@H](C)O2)cc[nH+]1 ZINC000154484527 326145677 /nfs/dbraw/zinc/14/56/77/326145677.db2.gz YCRUSKTZVVYMEX-GXSJLCMTSA-N 1 2 220.272 1.896 10 0 BDAELO CCN1CC[C@@H]([NH2+][C@H](C)c2ncc(C)o2)C1=O ZINC000670325630 488049651 /nfs/dbraw/zinc/04/96/51/488049651.db2.gz ZTZFWFLTLRYMKH-NXEZZACHSA-N 1 2 237.303 1.254 10 0 BDAELO OCC[N@H+](CC(F)F)C[C@H]1CCC[C@@H](O)C1 ZINC000381580491 487513873 /nfs/dbraw/zinc/51/38/73/487513873.db2.gz AIDKGECJBYKKJK-VHSXEESVSA-N 1 2 237.290 1.097 10 0 BDAELO OCC[N@@H+](CC(F)F)C[C@H]1CCC[C@@H](O)C1 ZINC000381580491 487513876 /nfs/dbraw/zinc/51/38/76/487513876.db2.gz AIDKGECJBYKKJK-VHSXEESVSA-N 1 2 237.290 1.097 10 0 BDAELO CCc1nnc(C[N@@H+]2CCC[C@@H](C(C)=O)C2)o1 ZINC000111690017 582818432 /nfs/dbraw/zinc/81/84/32/582818432.db2.gz NMHQNCBMWHXCOD-SNVBAGLBSA-N 1 2 237.303 1.433 10 0 BDAELO CCc1nnc(C[N@H+]2CCC[C@@H](C(C)=O)C2)o1 ZINC000111690017 582818434 /nfs/dbraw/zinc/81/84/34/582818434.db2.gz NMHQNCBMWHXCOD-SNVBAGLBSA-N 1 2 237.303 1.433 10 0 BDAELO C[NH+](C)[C@H](C(N)=O)c1ccc(F)cc1F ZINC000095532653 522068811 /nfs/dbraw/zinc/06/88/11/522068811.db2.gz FXSMLGRFTQQPPQ-VIFPVBQESA-N 1 2 214.215 1.053 10 0 BDAELO c1ccc(-c2noc([C@H]3CSC[NH2+]3)n2)nc1 ZINC000229003345 526459155 /nfs/dbraw/zinc/45/91/55/526459155.db2.gz VERMCZWAPMDXAT-MRVPVSSYSA-N 1 2 234.284 1.467 10 0 BDAELO Cc1nc([C@H]([NH3+])c2ccc(C)c(F)c2)no1 ZINC000082503765 527069688 /nfs/dbraw/zinc/06/96/88/527069688.db2.gz TYVDKQFDBRWTRF-SNVBAGLBSA-N 1 2 221.235 1.874 10 0 BDAELO CCCc1nc(C[N@@H+]2CC[C@@H](CCO)C2)no1 ZINC000227571515 535526988 /nfs/dbraw/zinc/52/69/88/535526988.db2.gz SMXPNSPTDGQQCS-JTQLQIEISA-N 1 2 239.319 1.226 10 0 BDAELO CCCc1nc(C[N@H+]2CC[C@@H](CCO)C2)no1 ZINC000227571515 535526991 /nfs/dbraw/zinc/52/69/91/535526991.db2.gz SMXPNSPTDGQQCS-JTQLQIEISA-N 1 2 239.319 1.226 10 0 BDAELO [NH3+][C@@H](CNC(=O)C1CC1)C(F)(F)C(F)(F)F ZINC000669380739 566425904 /nfs/dbraw/zinc/42/59/04/566425904.db2.gz VBYHTEQTCUPDEB-YFKPBYRVSA-N 1 2 246.179 1.038 10 0 BDAELO CC[N@@H+]1CCC[C@@H](NC(=O)C(F)(F)F)C1 ZINC000112022289 583083587 /nfs/dbraw/zinc/08/35/87/583083587.db2.gz DXQYULHAPFNQJE-SSDOTTSWSA-N 1 2 224.226 1.149 10 0 BDAELO CC[N@H+]1CCC[C@@H](NC(=O)C(F)(F)F)C1 ZINC000112022289 583083591 /nfs/dbraw/zinc/08/35/91/583083591.db2.gz DXQYULHAPFNQJE-SSDOTTSWSA-N 1 2 224.226 1.149 10 0 BDAELO O=C(N[C@@H]1CCC[C@@H]1n1cc[nH+]c1)C(F)(F)F ZINC000112021554 582862762 /nfs/dbraw/zinc/86/27/62/582862762.db2.gz JJJGQRBMPYTZTC-SFYZADRCSA-N 1 2 247.220 1.655 10 0 BDAELO Cc1[nH]c(CNC(=O)C[C@H](O)C(C)C)[nH+]c1C ZINC000896916982 583855602 /nfs/dbraw/zinc/85/56/02/583855602.db2.gz WLTNDJGGFSZXIG-JTQLQIEISA-N 1 2 239.319 1.050 10 0 BDAELO CN(C)c1[nH+]c(CC2CC2)nc2[nH]ccc21 ZINC000757568824 586339038 /nfs/dbraw/zinc/33/90/38/586339038.db2.gz RIRVNZGYXGSAID-UHFFFAOYSA-N 1 2 216.288 1.976 10 0 BDAELO [NH3+][C@@H]1CCC[NH2+][C@@H]1c1cccc(C(=O)[O-])c1 ZINC000757215080 586440222 /nfs/dbraw/zinc/44/02/22/586440222.db2.gz MJLHVVUKMNVBAP-GHMZBOCLSA-N 1 2 220.272 1.137 10 0 BDAELO [NH3+][C@@H]1CCC[NH2+][C@H]1c1ccc(C(=O)[O-])cc1 ZINC000757235646 586443634 /nfs/dbraw/zinc/44/36/34/586443634.db2.gz MIPMEGXZSLJQRF-MNOVXSKESA-N 1 2 220.272 1.137 10 0 BDAELO CC[C@@H]1CC(=O)N(C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000119131744 589244919 /nfs/dbraw/zinc/24/49/19/589244919.db2.gz IOHIWHQOBCCUML-IJLUTSLNSA-N 1 2 240.347 1.312 10 0 BDAELO Cc1[nH+]cn(-c2ncc(C=O)cn2)c1C ZINC000126435420 590303019 /nfs/dbraw/zinc/30/30/19/590303019.db2.gz RSRDQPQXRIYHGS-UHFFFAOYSA-N 1 2 202.217 1.092 10 0 BDAELO CCC[C@H](OC)c1noc([C@H]([NH3+])COC)n1 ZINC000131170760 591565035 /nfs/dbraw/zinc/56/50/35/591565035.db2.gz PICIMSUVDCMKCN-SFYZADRCSA-N 1 2 229.280 1.203 10 0 BDAELO CCc1cc(N2CCC[C@@H](C(C)=O)C2)nc[nH+]1 ZINC000104409979 592613038 /nfs/dbraw/zinc/61/30/38/592613038.db2.gz HBWZIUZXHXRMEH-LLVKDONJSA-N 1 2 233.315 1.844 10 0 BDAELO CC[C@H](C)[C@H]([NH2+]C1CC(OC)C1)C(=O)OC ZINC000234012389 635547908 /nfs/dbraw/zinc/54/79/08/635547908.db2.gz PUFQYPNLUGMHOD-PMUOWJKOSA-N 1 2 229.320 1.341 10 0 BDAELO C[C@H]1C[N@H+](Cn2cc[nH]c2=S)CCS1 ZINC000173340869 641171940 /nfs/dbraw/zinc/17/19/40/641171940.db2.gz FPSKPINFEIMJFS-QMMMGPOBSA-N 1 2 229.374 1.940 10 0 BDAELO C[C@H]1C[N@@H+](Cn2cc[nH]c2=S)CCS1 ZINC000173340869 641171943 /nfs/dbraw/zinc/17/19/43/641171943.db2.gz FPSKPINFEIMJFS-QMMMGPOBSA-N 1 2 229.374 1.940 10 0 BDAELO COC[C@@H]([NH3+])c1nc(-c2cscc2C)no1 ZINC000088001256 641226280 /nfs/dbraw/zinc/22/62/80/641226280.db2.gz LTNSQHDDKVXBEJ-MRVPVSSYSA-N 1 2 239.300 1.753 10 0 BDAELO CC[C@](CCCn1cc[nH+]c1)([NH2+]C)C(=O)[O-] ZINC000234082928 643451652 /nfs/dbraw/zinc/45/16/52/643451652.db2.gz NBSPJTGIRLHYSB-LLVKDONJSA-N 1 2 225.292 1.116 10 0 BDAELO CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000082647208 643518226 /nfs/dbraw/zinc/51/82/26/643518226.db2.gz RQNXEQZSENWHRO-KOLCDFICSA-N 1 2 227.304 1.239 10 0 BDAELO CCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(C)=O)C1 ZINC000082647208 643518229 /nfs/dbraw/zinc/51/82/29/643518229.db2.gz RQNXEQZSENWHRO-KOLCDFICSA-N 1 2 227.304 1.239 10 0 BDAELO C/C=C/C(=O)N[C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000088243026 644514516 /nfs/dbraw/zinc/51/45/16/644514516.db2.gz WFRBGRYIZSWJTE-BOCAPUTCSA-N 1 2 219.288 1.669 10 0 BDAELO CC(=O)C1CC[NH+](Cc2nc(C)cc(=O)[nH]2)CC1 ZINC000700499863 711994957 /nfs/dbraw/zinc/99/49/57/711994957.db2.gz AZYGSLSMCPEMMI-UHFFFAOYSA-N 1 2 249.314 1.292 10 0 BDAELO CC(=O)[C@H]1CCC[N@H+](Cc2nc(C)cc(=O)[nH]2)C1 ZINC000700502530 711995565 /nfs/dbraw/zinc/99/55/65/711995565.db2.gz LUJPWFWGZJDBCY-NSHDSACASA-N 1 2 249.314 1.292 10 0 BDAELO CC(=O)[C@H]1CCC[N@@H+](Cc2nc(C)cc(=O)[nH]2)C1 ZINC000700502530 711995566 /nfs/dbraw/zinc/99/55/66/711995566.db2.gz LUJPWFWGZJDBCY-NSHDSACASA-N 1 2 249.314 1.292 10 0 BDAELO Cc1cc(C[N@@H+](C)[C@@H](C)C(N)=O)cc(Cl)n1 ZINC000711139548 712285253 /nfs/dbraw/zinc/28/52/53/712285253.db2.gz HCNFRSVGHVYERW-QMMMGPOBSA-N 1 2 241.722 1.349 10 0 BDAELO Cc1cc(C[N@H+](C)[C@@H](C)C(N)=O)cc(Cl)n1 ZINC000711139548 712285254 /nfs/dbraw/zinc/28/52/54/712285254.db2.gz HCNFRSVGHVYERW-QMMMGPOBSA-N 1 2 241.722 1.349 10 0 BDAELO C[C@@H]([NH2+][C@@H]1CCCc2n[nH]cc21)c1cn(C)nn1 ZINC000720601127 712857212 /nfs/dbraw/zinc/85/72/12/712857212.db2.gz HEUAYDDUJKRAPN-PSASIEDQSA-N 1 2 246.318 1.266 10 0 BDAELO C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCCC(=O)[O-] ZINC000717491264 955143091 /nfs/dbraw/zinc/14/30/91/955143091.db2.gz DTXIWUMSNJVCRF-NWDGAFQWSA-N 1 2 240.347 1.410 10 0 BDAELO C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCCC(=O)[O-] ZINC000717491264 955143097 /nfs/dbraw/zinc/14/30/97/955143097.db2.gz DTXIWUMSNJVCRF-NWDGAFQWSA-N 1 2 240.347 1.410 10 0 BDAELO C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCCC(=O)[O-] ZINC000717491264 955143105 /nfs/dbraw/zinc/14/31/05/955143105.db2.gz DTXIWUMSNJVCRF-NWDGAFQWSA-N 1 2 240.347 1.410 10 0 BDAELO C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCCC(=O)[O-] ZINC000717491264 955143111 /nfs/dbraw/zinc/14/31/11/955143111.db2.gz DTXIWUMSNJVCRF-NWDGAFQWSA-N 1 2 240.347 1.410 10 0 BDAELO C[NH+](C)C(C)(C)C[NH2+]CCC(C)(C)C(=O)[O-] ZINC000396038697 972847364 /nfs/dbraw/zinc/84/73/64/972847364.db2.gz QGOXYZURDAEXDR-UHFFFAOYSA-N 1 2 230.352 1.417 10 0 BDAELO C[C@@H](CC[NH2+]Cc1cc(C(=O)[O-])co1)[NH+](C)C ZINC000697900879 976868085 /nfs/dbraw/zinc/86/80/85/976868085.db2.gz AEEYBKJMNRIMIA-VIFPVBQESA-N 1 2 240.303 1.408 10 0 BDAELO Cc1[nH]c(C[N@@H+](C)C(C)(C)C(=O)[O-])c(C)[nH+]1 ZINC000724780023 978243859 /nfs/dbraw/zinc/24/38/59/978243859.db2.gz OYPCEVGVHHQGKO-UHFFFAOYSA-N 1 2 225.292 1.322 10 0 BDAELO Cc1[nH]c(C[N@H+](C)C(C)(C)C(=O)[O-])c(C)[nH+]1 ZINC000724780023 978243868 /nfs/dbraw/zinc/24/38/68/978243868.db2.gz OYPCEVGVHHQGKO-UHFFFAOYSA-N 1 2 225.292 1.322 10 0 BDAELO CCNCC(F)(F)C[N@H+](C)C(C)(C)C ZINC000685956443 538903228 /nfs/dbraw/zinc/90/32/28/538903228.db2.gz BGEFSFJWBJCVLJ-UHFFFAOYSA-N 1 2 208.296 1.962 10 0 BDAELO CCNCC(F)(F)C[N@@H+](C)C(C)(C)C ZINC000685956443 538903230 /nfs/dbraw/zinc/90/32/30/538903230.db2.gz BGEFSFJWBJCVLJ-UHFFFAOYSA-N 1 2 208.296 1.962 10 0 BDAELO CC[C@H]1CCCN1CC(F)(F)C[NH2+]C ZINC000685957438 538904513 /nfs/dbraw/zinc/90/45/13/538904513.db2.gz RMKFWRANGRASGI-VIFPVBQESA-N 1 2 206.280 1.716 10 0 BDAELO Cc1cc(C[NH2+]Cc2ccncn2)no1 ZINC000054789861 178026207 /nfs/dbraw/zinc/02/62/07/178026207.db2.gz GJPGDRROBDVHAP-UHFFFAOYSA-N 1 2 204.233 1.063 10 0 BDAELO Cc1cc(F)ccc1C[NH2+]Cc1nnc[nH]1 ZINC000050577120 178086789 /nfs/dbraw/zinc/08/67/89/178086789.db2.gz HHTVNUULUVXTND-UHFFFAOYSA-N 1 2 220.251 1.542 10 0 BDAELO Cc1cc(N)ccc1[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000036950124 178106909 /nfs/dbraw/zinc/10/69/09/178106909.db2.gz AYQUZDCQDRDSJN-JTQLQIEISA-N 1 2 240.328 1.176 10 0 BDAELO Nc1[nH+]cccc1C[C@H]1CCCC(=O)C1 ZINC000070737628 361748471 /nfs/dbraw/zinc/74/84/71/361748471.db2.gz ALOVUIMCEXDDPO-SECBINFHSA-N 1 2 204.273 1.966 10 0 BDAELO C[N@@H+]1CCc2ccccc2[C@@H]1c1cnc[nH]1 ZINC000616589157 349525842 /nfs/dbraw/zinc/52/58/42/349525842.db2.gz VZFSGHLFYUOCGE-CYBMUJFWSA-N 1 2 213.284 1.987 10 0 BDAELO C[N@H+]1CCc2ccccc2[C@@H]1c1cnc[nH]1 ZINC000616589157 349525846 /nfs/dbraw/zinc/52/58/46/349525846.db2.gz VZFSGHLFYUOCGE-CYBMUJFWSA-N 1 2 213.284 1.987 10 0 BDAELO Cc1ccc(C(=O)C[N@@H+]2CCC[C@H](O)C2)cc1 ZINC000050152690 178372856 /nfs/dbraw/zinc/37/28/56/178372856.db2.gz IEBRBYWHSAEFFT-ZDUSSCGKSA-N 1 2 233.311 1.634 10 0 BDAELO Cc1ccc(C(=O)C[N@H+]2CCC[C@H](O)C2)cc1 ZINC000050152690 178372858 /nfs/dbraw/zinc/37/28/58/178372858.db2.gz IEBRBYWHSAEFFT-ZDUSSCGKSA-N 1 2 233.311 1.634 10 0 BDAELO CC(=O)O[C@H](c1cc[nH+]c(N)c1)C(F)(F)F ZINC000146043962 342765155 /nfs/dbraw/zinc/76/51/55/342765155.db2.gz 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COC[C@H](C)[NH2+]Cc1nc(C(C)C)no1 ZINC000308928307 342877172 /nfs/dbraw/zinc/87/71/72/342877172.db2.gz IUVZXIAPKBGRIW-QMMMGPOBSA-N 1 2 213.281 1.318 10 0 BDAELO Cc1ccc(C(N)=O)cc1-n1cc[nH+]c1 ZINC000065382703 178458271 /nfs/dbraw/zinc/45/82/71/178458271.db2.gz CFGHKXNEUCLIJI-UHFFFAOYSA-N 1 2 201.229 1.280 10 0 BDAELO CCn1c(C)nnc1C[N@H+](C)[C@H]1CCSC1 ZINC000162659942 349789266 /nfs/dbraw/zinc/78/92/66/349789266.db2.gz NRPJDLCAJOIZTQ-JTQLQIEISA-N 1 2 240.376 1.544 10 0 BDAELO CCn1c(C)nnc1C[N@@H+](C)[C@H]1CCSC1 ZINC000162659942 349789272 /nfs/dbraw/zinc/78/92/72/349789272.db2.gz NRPJDLCAJOIZTQ-JTQLQIEISA-N 1 2 240.376 1.544 10 0 BDAELO CC[C@@H](C)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177798171 136274219 /nfs/dbraw/zinc/27/42/19/136274219.db2.gz VMOBDBUPFIAFIE-VXGBXAGGSA-N 1 2 235.331 1.920 10 0 BDAELO COC(=O)Cc1cn2c(cccc2C)[nH+]1 ZINC000071570797 343304389 /nfs/dbraw/zinc/30/43/89/343304389.db2.gz KWPHZFZOVBQNPQ-UHFFFAOYSA-N 1 2 204.229 1.358 10 0 BDAELO CN(C)Nc1c(N)c[nH+]cc1Br ZINC000234245867 343379833 /nfs/dbraw/zinc/37/98/33/343379833.db2.gz JCVWEZQBXVXKJH-UHFFFAOYSA-N 1 2 231.097 1.315 10 0 BDAELO Cc1cc(C)n(Cc2c[nH+]c(C)nc2N)n1 ZINC000039109899 343384931 /nfs/dbraw/zinc/38/49/31/343384931.db2.gz AIHOUVIKNVDPOK-UHFFFAOYSA-N 1 2 217.276 1.229 10 0 BDAELO Cn1ncc([C@H]2[NH2+]CCc3ccsc32)n1 ZINC000712563320 537794858 /nfs/dbraw/zinc/79/48/58/537794858.db2.gz UMNUPCPUGRFVTB-SECBINFHSA-N 1 2 220.301 1.112 10 0 BDAELO OC[C@@H]1CCn2c3ccccc3[nH+]c2C1 ZINC000409424350 343817262 /nfs/dbraw/zinc/81/72/62/343817262.db2.gz YZDMUONAERPWAP-SECBINFHSA-N 1 2 202.257 1.591 10 0 BDAELO Clc1ccc([C@H]2[NH2+]C=CC3=C2NCN3)cc1 ZINC000299803487 344109788 /nfs/dbraw/zinc/10/97/88/344109788.db2.gz TXYCDGXVCLYBQV-LLVKDONJSA-N 1 2 233.702 1.860 10 0 BDAELO CCOC(=O)c1ccc(N2CCCCN2)[nH+]c1 ZINC000400264153 344452933 /nfs/dbraw/zinc/45/29/33/344452933.db2.gz NICJLXREIUNOLK-UHFFFAOYSA-N 1 2 235.287 1.363 10 0 BDAELO Nc1ccc2c(c1)CCC[C@H]1CC(=O)N[NH+]=C21 ZINC000029344933 344575194 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/nfs/dbraw/zinc/62/34/94/346623494.db2.gz WAIYXFVGOMMEOH-SECBINFHSA-N 1 2 212.318 1.845 10 0 BDAELO Cc1cccc(NC(=O)CN[C@@H]2CC[N@@H+](C)C2)c1 ZINC000042547576 179128822 /nfs/dbraw/zinc/12/88/22/179128822.db2.gz RPJNQMRYFIHWBL-CYBMUJFWSA-N 1 2 247.342 1.227 10 0 BDAELO Cc1cccc(NC(=O)CN[C@@H]2CC[N@H+](C)C2)c1 ZINC000042547576 179128824 /nfs/dbraw/zinc/12/88/24/179128824.db2.gz RPJNQMRYFIHWBL-CYBMUJFWSA-N 1 2 247.342 1.227 10 0 BDAELO Cc1cccc(NC(=O)CN[C@H]2CC[N@@H+](C)C2)c1 ZINC000042547579 179128885 /nfs/dbraw/zinc/12/88/85/179128885.db2.gz RPJNQMRYFIHWBL-ZDUSSCGKSA-N 1 2 247.342 1.227 10 0 BDAELO Cc1cccc(NC(=O)CN[C@H]2CC[N@H+](C)C2)c1 ZINC000042547579 179128888 /nfs/dbraw/zinc/12/88/88/179128888.db2.gz RPJNQMRYFIHWBL-ZDUSSCGKSA-N 1 2 247.342 1.227 10 0 BDAELO Cc1cccc(NC[C@@H](C)[NH+]2CCOCC2)n1 ZINC000114184532 179146183 /nfs/dbraw/zinc/14/61/83/179146183.db2.gz ZJWBXTKDYBSYKC-GFCCVEGCSA-N 1 2 235.331 1.523 10 0 BDAELO NNc1ccc(S(=O)(=O)c2ccccc2)c[nH+]1 ZINC000167066859 346697081 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/nfs/dbraw/zinc/83/11/12/350831112.db2.gz CWFKUJZNOZOSAT-CYBMUJFWSA-N 1 2 248.326 1.871 10 0 BDAELO NC(=O)N1CCCC[C@H]1c1ccc[nH+]c1N ZINC000616616556 350855763 /nfs/dbraw/zinc/85/57/63/350855763.db2.gz YQPLSLOWQNTECE-VIFPVBQESA-N 1 2 220.276 1.270 10 0 BDAELO COC(=O)N1CCC[C@H](c2cccc(N)[nH+]2)C1 ZINC000616617572 350869697 /nfs/dbraw/zinc/86/96/97/350869697.db2.gz ULFUUYXMBSWTQY-VIFPVBQESA-N 1 2 235.287 1.610 10 0 BDAELO CCOC(=O)N1CCC[C@@H](c2ccc[nH+]c2N)C1 ZINC000616617255 350864272 /nfs/dbraw/zinc/86/42/72/350864272.db2.gz PAQYPQHLRBQAJM-SNVBAGLBSA-N 1 2 249.314 2.000 10 0 BDAELO C[C@@H]1CS[C@@H](c2c(Cl)cnn2C)[NH2+]1 ZINC000306754866 350968066 /nfs/dbraw/zinc/96/80/66/350968066.db2.gz QAPKJTWXMVXBLD-XRGYYRRGSA-N 1 2 217.725 1.797 10 0 BDAELO [NH3+]CC[N@@H+]1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000616620826 350945126 /nfs/dbraw/zinc/94/51/26/350945126.db2.gz MEKGEGTXJIVBIT-ZDUSSCGKSA-N 1 2 248.326 1.523 10 0 BDAELO [NH3+]CC[N@H+]1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000616620826 350945130 /nfs/dbraw/zinc/94/51/30/350945130.db2.gz MEKGEGTXJIVBIT-ZDUSSCGKSA-N 1 2 248.326 1.523 10 0 BDAELO CCOC(=O)N1CC[NH2+][C@H](c2ccccn2)C1 ZINC000616633073 351114380 /nfs/dbraw/zinc/11/43/80/351114380.db2.gz ZNTOLZKFWLHWMP-NSHDSACASA-N 1 2 235.287 1.184 10 0 BDAELO OCC[N@@H+]1CCN[C@H](c2ccccc2Cl)C1 ZINC000616634489 351117051 /nfs/dbraw/zinc/11/70/51/351117051.db2.gz UFGGENVZPNEBIT-LBPRGKRZSA-N 1 2 240.734 1.279 10 0 BDAELO OCC[N@H+]1CCN[C@H](c2ccccc2Cl)C1 ZINC000616634489 351117053 /nfs/dbraw/zinc/11/70/53/351117053.db2.gz UFGGENVZPNEBIT-LBPRGKRZSA-N 1 2 240.734 1.279 10 0 BDAELO COc1ccc[nH+]c1N[C@H]1CCC[C@H](O)C1 ZINC000623869206 351085115 /nfs/dbraw/zinc/08/51/15/351085115.db2.gz RKLIAQVCDHDWRW-UWVGGRQHSA-N 1 2 222.288 1.806 10 0 BDAELO CC(C)(C)[S@@](=O)Cc1ccc(N)[nH+]c1 ZINC000306819904 351089531 /nfs/dbraw/zinc/08/95/31/351089531.db2.gz HVFQYXVREZOMKM-AWEZNQCLSA-N 1 2 212.318 1.711 10 0 BDAELO C[N@@H+]1CCO[C@H](c2ccccc2CO)C1 ZINC000616643341 351155813 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SCESXLFJDSDTOV-LBPRGKRZSA-N 1 2 214.272 1.382 10 0 BDAELO NC(=O)N1C[C@@H](c2[nH]cc[nH+]2)Cc2ccccc21 ZINC000616690390 351259519 /nfs/dbraw/zinc/25/95/19/351259519.db2.gz OOPYPTBZIWWNIT-JTQLQIEISA-N 1 2 242.282 1.635 10 0 BDAELO C[C@H]([NH3+])c1nc2cncc(Br)c2[nH]1 ZINC000307058959 351458449 /nfs/dbraw/zinc/45/84/49/351458449.db2.gz MGXZSNDQRHIEGU-BYPYZUCNSA-N 1 2 241.092 1.740 10 0 BDAELO COC(C)(C)[C@@H]1Nc2ccc([NH3+])cc2C[C@H]1O ZINC000725268534 538100882 /nfs/dbraw/zinc/10/08/82/538100882.db2.gz UQFZPVXSUNNGQM-VXGBXAGGSA-N 1 2 236.315 1.391 10 0 BDAELO C[C@H]1SCC[C@H]1Nc1c[nH+]cc(N)c1 ZINC000307305806 351932458 /nfs/dbraw/zinc/93/24/58/351932458.db2.gz IMIIMTCWDVJUMT-GMSGAONNSA-N 1 2 209.318 1.970 10 0 BDAELO Cc1nc([C@@H]([NH3+])c2cscn2)cs1 ZINC000307512681 352632234 /nfs/dbraw/zinc/63/22/34/352632234.db2.gz PSPJENFGIVFSLD-QMMMGPOBSA-N 1 2 211.315 1.956 10 0 BDAELO CN(CCO)c1[nH+]ccc2ccsc21 ZINC000306783082 353037835 /nfs/dbraw/zinc/03/78/35/353037835.db2.gz GAFMTUHDWSBVAL-UHFFFAOYSA-N 1 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COC[C@@H]1CCCN1c1ccc([NH3+])cc1 ZINC000141039230 356462158 /nfs/dbraw/zinc/46/21/58/356462158.db2.gz RWNGTWKVZZNLAJ-LBPRGKRZSA-N 1 2 206.289 1.884 10 0 BDAELO NC(=O)c1c(F)cccc1-n1cc[nH+]c1 ZINC000093411826 181286113 /nfs/dbraw/zinc/28/61/13/181286113.db2.gz CIXHULHTDORPLC-UHFFFAOYSA-N 1 2 205.192 1.110 10 0 BDAELO Cl/C=C/C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054344998 363568910 /nfs/dbraw/zinc/56/89/10/363568910.db2.gz PBXQQQSRYQSHML-PSJTYZLDSA-N 1 2 201.697 1.992 10 0 BDAELO Cl/C=C/C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054344998 363568914 /nfs/dbraw/zinc/56/89/14/363568914.db2.gz PBXQQQSRYQSHML-PSJTYZLDSA-N 1 2 201.697 1.992 10 0 BDAELO Cc1cnc([C@@H](C)[NH2+][C@H](C)C(=O)NC2CC2)o1 ZINC000230647494 357544101 /nfs/dbraw/zinc/54/41/01/357544101.db2.gz YUYNMTWCBNCMQV-RKDXNWHRSA-N 1 2 237.303 1.301 10 0 BDAELO c1cnc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)nc1 ZINC000191948078 357806376 /nfs/dbraw/zinc/80/63/76/357806376.db2.gz NDEPHZJOBHYKRF-RYUDHWBXSA-N 1 2 233.315 1.620 10 0 BDAELO c1cnc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)nc1 ZINC000191948078 357806379 /nfs/dbraw/zinc/80/63/79/357806379.db2.gz NDEPHZJOBHYKRF-RYUDHWBXSA-N 1 2 233.315 1.620 10 0 BDAELO CC(C)c1nc([C@@H]2CCC[N@H+]2C[C@@H](C)O)no1 ZINC000192974967 357861825 /nfs/dbraw/zinc/86/18/25/357861825.db2.gz ADKGBMDQKNNQHZ-ZJUUUORDSA-N 1 2 239.319 1.711 10 0 BDAELO CC(C)c1nc([C@@H]2CCC[N@@H+]2C[C@@H](C)O)no1 ZINC000192974967 357861828 /nfs/dbraw/zinc/86/18/28/357861828.db2.gz ADKGBMDQKNNQHZ-ZJUUUORDSA-N 1 2 239.319 1.711 10 0 BDAELO Cc1nc([C@H]2C[N@H+](CC(C)C)CCO2)n[nH]1 ZINC000173657287 134276063 /nfs/dbraw/zinc/27/60/63/134276063.db2.gz STESZTAAIWWTMC-SNVBAGLBSA-N 1 2 224.308 1.142 10 0 BDAELO Cc1nc([C@H]2C[N@@H+](CC(C)C)CCO2)n[nH]1 ZINC000173657287 134276064 /nfs/dbraw/zinc/27/60/64/134276064.db2.gz STESZTAAIWWTMC-SNVBAGLBSA-N 1 2 224.308 1.142 10 0 BDAELO CCCC[N@@H+]1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173662758 134276067 /nfs/dbraw/zinc/27/60/67/134276067.db2.gz WMFXWZOVVIIOGY-JTQLQIEISA-N 1 2 224.308 1.287 10 0 BDAELO CCCC[N@H+]1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173662758 134276068 /nfs/dbraw/zinc/27/60/68/134276068.db2.gz WMFXWZOVVIIOGY-JTQLQIEISA-N 1 2 224.308 1.287 10 0 BDAELO CCCC[N@@H+]1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173662758 134276069 /nfs/dbraw/zinc/27/60/69/134276069.db2.gz WMFXWZOVVIIOGY-JTQLQIEISA-N 1 2 224.308 1.287 10 0 BDAELO CCCC[N@H+]1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173662758 134276070 /nfs/dbraw/zinc/27/60/70/134276070.db2.gz WMFXWZOVVIIOGY-JTQLQIEISA-N 1 2 224.308 1.287 10 0 BDAELO Cc1cc(N[C@@H]2CCCC[C@H]2CO)nc[nH+]1 ZINC000231143508 358995576 /nfs/dbraw/zinc/99/55/76/358995576.db2.gz HSOSXHLBXDHNOF-WDEREUQCSA-N 1 2 221.304 1.748 10 0 BDAELO Cc1ccccc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000074773189 359128650 /nfs/dbraw/zinc/12/86/50/359128650.db2.gz JPRPEGFLZZMDAC-LBPRGKRZSA-N 1 2 248.326 1.055 10 0 BDAELO Cc1ccccc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000074773189 359128654 /nfs/dbraw/zinc/12/86/54/359128654.db2.gz JPRPEGFLZZMDAC-LBPRGKRZSA-N 1 2 248.326 1.055 10 0 BDAELO 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ZINC000074774806 487573349 /nfs/dbraw/zinc/57/33/49/487573349.db2.gz ZKQYWCYMRNRFNJ-LLVKDONJSA-N 1 2 242.363 1.212 10 0 BDAELO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)CC(C)(C)C ZINC000074774806 487573353 /nfs/dbraw/zinc/57/33/53/487573353.db2.gz ZKQYWCYMRNRFNJ-LLVKDONJSA-N 1 2 242.363 1.212 10 0 BDAELO Brc1sccc1C[NH2+]C1COC1 ZINC000306454301 166108784 /nfs/dbraw/zinc/10/87/84/166108784.db2.gz ZWMHVVMHFUYCHL-UHFFFAOYSA-N 1 2 248.145 1.999 10 0 BDAELO CC(C)OC(=O)c1csc(C[NH+](C)C)n1 ZINC000255979116 167175069 /nfs/dbraw/zinc/17/50/69/167175069.db2.gz INHFTOIBWZQDGB-UHFFFAOYSA-N 1 2 228.317 1.770 10 0 BDAELO CC[NH2+][C@@H](c1cncc(F)c1)c1ncccn1 ZINC000049576451 170149095 /nfs/dbraw/zinc/14/90/95/170149095.db2.gz VQBLKWUBXMQDOU-NSHDSACASA-N 1 2 232.262 1.710 10 0 BDAELO CC[NH2+][C@H](C(N)=O)c1c(F)cccc1Cl ZINC000037869689 170156501 /nfs/dbraw/zinc/15/65/01/170156501.db2.gz YELKPMNXZPPGKT-VIFPVBQESA-N 1 2 230.670 1.615 10 0 BDAELO CCOC(=O)C1([NH2+]C)CCSCC1 ZINC000041048817 170190395 /nfs/dbraw/zinc/19/03/95/170190395.db2.gz SGWAAZGTEWJMLV-UHFFFAOYSA-N 1 2 203.307 1.035 10 0 BDAELO CCOC(=O)CCN(C)c1[nH+]cccc1C ZINC000051041455 170204592 /nfs/dbraw/zinc/20/45/92/170204592.db2.gz LWDUGUQSIKCESC-UHFFFAOYSA-N 1 2 222.288 1.779 10 0 BDAELO CCOC(=O)C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000264056500 170218874 /nfs/dbraw/zinc/21/88/74/170218874.db2.gz VCSYGRFXEIBURE-LLVKDONJSA-N 1 2 237.303 1.120 10 0 BDAELO CCOC(=O)C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000264056500 170218876 /nfs/dbraw/zinc/21/88/76/170218876.db2.gz VCSYGRFXEIBURE-LLVKDONJSA-N 1 2 237.303 1.120 10 0 BDAELO CCOC(=O)C[NH2+]C[C@H](C)c1ccccc1 ZINC000037394271 170225285 /nfs/dbraw/zinc/22/52/85/170225285.db2.gz KZZPYVBFWGWWEX-NSHDSACASA-N 1 2 221.300 1.943 10 0 BDAELO CCOC(=O)C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000038009864 170225424 /nfs/dbraw/zinc/22/54/24/170225424.db2.gz GWANMIVGWJFPGN-NSHDSACASA-N 1 2 235.283 1.143 10 0 BDAELO CCOC(=O)[C@@H]([NH3+])COc1ccccc1C ZINC000045517267 170253663 /nfs/dbraw/zinc/25/36/63/170253663.db2.gz KWDPKIPTMWCDHX-JTQLQIEISA-N 1 2 223.272 1.264 10 0 BDAELO CCOC(=O)[C@@H]([NH3+])c1ccc(CC)s1 ZINC000033768052 170254544 /nfs/dbraw/zinc/25/45/44/170254544.db2.gz SCHZTKLBKPKDBS-VIFPVBQESA-N 1 2 213.302 1.873 10 0 BDAELO CCOC(=O)[C@H](CC)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000082757978 170272267 /nfs/dbraw/zinc/27/22/67/170272267.db2.gz KDXUIQCJIOUQCS-VWYCJHECSA-N 1 2 229.320 1.485 10 0 BDAELO CCOC(=O)[C@H]([NH3+])CO[C@@H](C)CC(C)C ZINC000045503930 170275453 /nfs/dbraw/zinc/27/54/53/170275453.db2.gz VGKZKFFVTAHSLJ-VHSXEESVSA-N 1 2 217.309 1.328 10 0 BDAELO CCOC(=O)[C@H]([NH3+])COc1cccc(F)c1F ZINC000062653807 170275799 /nfs/dbraw/zinc/27/57/99/170275799.db2.gz KJNOHOJHJWAWBE-MRVPVSSYSA-N 1 2 245.225 1.234 10 0 BDAELO CCOC(=O)[C@](C)([NH3+])c1ccc(F)cc1F ZINC000037459867 170283541 /nfs/dbraw/zinc/28/35/41/170283541.db2.gz UHROKKYGHSKBTE-LLVKDONJSA-N 1 2 229.226 1.702 10 0 BDAELO CCOC1CN(c2ccc([NH3+])cc2C)C1 ZINC000095908496 170337329 /nfs/dbraw/zinc/33/73/29/170337329.db2.gz DFOWZRURYXTJFC-UHFFFAOYSA-N 1 2 206.289 1.802 10 0 BDAELO Nc1cccc2c1cc[nH+]c2N1CCC[C@H]1CO ZINC000663548537 411701453 /nfs/dbraw/zinc/70/14/53/411701453.db2.gz XVEUEWZLYIILTC-JTQLQIEISA-N 1 2 243.310 1.778 10 0 BDAELO CC[C@@H](C)n1ncc2c1nc[nH+]c2NC ZINC000062367245 170810487 /nfs/dbraw/zinc/81/04/87/170810487.db2.gz LJITWIWORYHFSY-SSDOTTSWSA-N 1 2 205.265 1.839 10 0 BDAELO C[C@H]1CCN1c1nc(N)[nH+]cc1Br ZINC000575587493 411926905 /nfs/dbraw/zinc/92/69/05/411926905.db2.gz ISSIEQLZSMGFOI-YFKPBYRVSA-N 1 2 243.108 1.420 10 0 BDAELO Nc1c[nH+]c(N)nc1Nc1cccc(Cl)c1 ZINC000575434224 411970416 /nfs/dbraw/zinc/97/04/16/411970416.db2.gz JELZLQVKLYALGH-UHFFFAOYSA-N 1 2 235.678 1.460 10 0 BDAELO CCc1ccc([C@]2(C)[NH2+]CCNC2=O)cc1 ZINC000051925152 171846599 /nfs/dbraw/zinc/84/65/99/171846599.db2.gz CPLCKVRWGXNVKZ-ZDUSSCGKSA-N 1 2 218.300 1.184 10 0 BDAELO CCc1nc([C@]2([NH3+])CCOc3ccccc32)no1 ZINC000036762807 172009143 /nfs/dbraw/zinc/00/91/43/172009143.db2.gz PYKJRMDJFCXCSL-ZDUSSCGKSA-N 1 2 245.282 1.617 10 0 BDAELO CN(C(=O)[C@H]1CSC[NH2+]1)c1ccccc1F ZINC000050008790 172335126 /nfs/dbraw/zinc/33/51/26/172335126.db2.gz KREBBFBXIJUMJG-SECBINFHSA-N 1 2 240.303 1.451 10 0 BDAELO CN1CCC[N@H+](CCNc2ccccc2)C1 ZINC000033874707 173015120 /nfs/dbraw/zinc/01/51/20/173015120.db2.gz CGAIRLLOEUPOJT-UHFFFAOYSA-N 1 2 219.332 1.694 10 0 BDAELO CN1CCC[N@@H+](CCNc2ccccc2)C1 ZINC000033874707 173015122 /nfs/dbraw/zinc/01/51/22/173015122.db2.gz CGAIRLLOEUPOJT-UHFFFAOYSA-N 1 2 219.332 1.694 10 0 BDAELO CN1CC[NH+](CC[C@H](O)c2cccs2)CC1 ZINC000041149386 173082468 /nfs/dbraw/zinc/08/24/68/173082468.db2.gz COAKBDUCYHQISG-NSHDSACASA-N 1 2 240.372 1.419 10 0 BDAELO C[N@@H+]1CCO[C@@H](CNC(=O)/C=C/C(C)(C)C)C1 ZINC000116739873 173102896 /nfs/dbraw/zinc/10/28/96/173102896.db2.gz HHSQFTODCKRPEW-QRGHLMKCSA-N 1 2 240.347 1.036 10 0 BDAELO C[N@H+]1CCO[C@@H](CNC(=O)/C=C/C(C)(C)C)C1 ZINC000116739873 173102897 /nfs/dbraw/zinc/10/28/97/173102897.db2.gz HHSQFTODCKRPEW-QRGHLMKCSA-N 1 2 240.347 1.036 10 0 BDAELO C[NH2+]CC(=O)OCc1cccc(Cl)c1 ZINC000077306062 173335223 /nfs/dbraw/zinc/33/52/23/173335223.db2.gz ZHXKHDOODWTKCS-UHFFFAOYSA-N 1 2 213.664 1.603 10 0 BDAELO C[NH2+][C@H](CCOC1CCC(C)CC1)C(=O)OC ZINC000062544193 173452157 /nfs/dbraw/zinc/45/21/57/173452157.db2.gz MPAWCCBRVCYYLM-HTAVTVPLSA-N 1 2 243.347 1.733 10 0 BDAELO COC(=O)[C@@H]([NH2+][C@@H](C)c1ccncc1)C(C)C ZINC000035346510 173713565 /nfs/dbraw/zinc/71/35/65/173713565.db2.gz VXGWATPGHHDYSZ-JQWIXIFHSA-N 1 2 236.315 1.930 10 0 BDAELO COc1cc(OC)cc([C@@H]([NH3+])c2noc(C)n2)c1 ZINC000036762377 175011014 /nfs/dbraw/zinc/01/10/14/175011014.db2.gz LFMAUKWFBIEMNO-LLVKDONJSA-N 1 2 249.270 1.443 10 0 BDAELO COc1ccc(NC(=O)Cn2cc[nH+]c2)c(N)c1 ZINC000022173772 175142324 /nfs/dbraw/zinc/14/23/24/175142324.db2.gz XZERPDMWXWWVTD-UHFFFAOYSA-N 1 2 246.270 1.113 10 0 BDAELO C[C@@H]1CCC[N@H+](Cc2nnsc2N)[C@@H]1C ZINC000050814421 176103642 /nfs/dbraw/zinc/10/36/42/176103642.db2.gz HIHVTWCJSMFNCD-HTQZYQBOSA-N 1 2 226.349 1.741 10 0 BDAELO C[C@@H]1CCC[N@@H+](Cc2nnsc2N)[C@@H]1C ZINC000050814421 176103643 /nfs/dbraw/zinc/10/36/43/176103643.db2.gz HIHVTWCJSMFNCD-HTQZYQBOSA-N 1 2 226.349 1.741 10 0 BDAELO C[C@@H]1CC[N@@H+](c2ccc(N)cc2C(N)=O)C1 ZINC000044376091 176181683 /nfs/dbraw/zinc/18/16/83/176181683.db2.gz JBIPAYGBRSEFAF-MRVPVSSYSA-N 1 2 219.288 1.214 10 0 BDAELO C[C@@H]1CC[N@H+](c2ccc(N)cc2C(N)=O)C1 ZINC000044376091 176181684 /nfs/dbraw/zinc/18/16/84/176181684.db2.gz JBIPAYGBRSEFAF-MRVPVSSYSA-N 1 2 219.288 1.214 10 0 BDAELO C[C@H](Cc1ccccc1)[NH2+]N1CCOCC1 ZINC000033891479 176724166 /nfs/dbraw/zinc/72/41/66/176724166.db2.gz RHQPQXVAGPLUMY-GFCCVEGCSA-N 1 2 220.316 1.454 10 0 BDAELO C[C@H]1C[C@@H]1Nc1cc[nH+]c(C(N)=S)c1 ZINC000061813322 177350571 /nfs/dbraw/zinc/35/05/71/177350571.db2.gz PZLAKWZTMIXWHO-XPUUQOCRSA-N 1 2 207.302 1.536 10 0 BDAELO C[C@H]1OCCC[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290904820 177397707 /nfs/dbraw/zinc/39/77/07/177397707.db2.gz HXKGTRNJUJEEMB-ZYHUDNBSSA-N 1 2 249.314 1.040 10 0 BDAELO CC[C@@](C)(O)C[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000682028337 487882108 /nfs/dbraw/zinc/88/21/08/487882108.db2.gz FXZMMCONBAZFCJ-DTWKUNHWSA-N 1 2 241.253 1.411 10 0 BDAELO CC[C@@](C)(O)C[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000682028337 487882110 /nfs/dbraw/zinc/88/21/10/487882110.db2.gz FXZMMCONBAZFCJ-DTWKUNHWSA-N 1 2 241.253 1.411 10 0 BDAELO COC[C@]1(C(=O)OC(C)(C)C)CCCC[NH2+]1 ZINC000536961122 323975067 /nfs/dbraw/zinc/97/50/67/323975067.db2.gz XKDUAVIZOPIPAY-LBPRGKRZSA-N 1 2 229.320 1.487 10 0 BDAELO CCCC[C@H](C(=O)OC)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000067226502 324786214 /nfs/dbraw/zinc/78/62/14/324786214.db2.gz HDCQBBUUZJXWND-IJLUTSLNSA-N 1 2 243.347 1.827 10 0 BDAELO O=C(N[C@H]1CC=CCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000565149393 325862805 /nfs/dbraw/zinc/86/28/05/325862805.db2.gz NWTXLNUTGFYBJZ-IUCAKERBSA-N 1 2 230.258 1.209 10 0 BDAELO CC(C)(C)CCCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000566185444 326003646 /nfs/dbraw/zinc/00/36/46/326003646.db2.gz GYIKXTRLKOTBNO-VIFPVBQESA-N 1 2 248.317 1.926 10 0 BDAELO CCCc1nc(C[NH2+][C@@H](C)COC)no1 ZINC000389900365 488123974 /nfs/dbraw/zinc/12/39/74/488123974.db2.gz CTIATQOFZQJCSX-QMMMGPOBSA-N 1 2 213.281 1.147 10 0 BDAELO COc1c(N)[nH+]cnc1N[C@H](C)c1ncc(C)o1 ZINC000231762527 487473690 /nfs/dbraw/zinc/47/36/90/487473690.db2.gz HWCZMFQWTVZNCF-SSDOTTSWSA-N 1 2 249.274 1.537 10 0 BDAELO COc1c(N)nc[nH+]c1N[C@H](C)c1ncc(C)o1 ZINC000231762527 487473692 /nfs/dbraw/zinc/47/36/92/487473692.db2.gz HWCZMFQWTVZNCF-SSDOTTSWSA-N 1 2 249.274 1.537 10 0 BDAELO O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250240736 487728606 /nfs/dbraw/zinc/72/86/06/487728606.db2.gz IIVRGFWRWHZOHW-JGPRNRPPSA-N 1 2 219.288 1.045 10 0 BDAELO CN(C)P(c1[nH+]ccn1C)C(C)(C)C ZINC000584645645 488022963 /nfs/dbraw/zinc/02/29/63/488022963.db2.gz OSFVSPNFTMRCEV-UHFFFAOYSA-N 1 2 213.265 1.802 10 0 BDAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC1CC1)C2 ZINC000220607648 490054268 /nfs/dbraw/zinc/05/42/68/490054268.db2.gz GEKVGOGCELFTLP-MRVPVSSYSA-N 1 2 219.288 1.102 10 0 BDAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NC1CC1)CC2 ZINC000220607648 490054272 /nfs/dbraw/zinc/05/42/72/490054272.db2.gz GEKVGOGCELFTLP-MRVPVSSYSA-N 1 2 219.288 1.102 10 0 BDAELO CCCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000220579678 490617206 /nfs/dbraw/zinc/61/72/06/490617206.db2.gz QUGNATCZIQEVEP-VIFPVBQESA-N 1 2 221.304 1.349 10 0 BDAELO CCCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000220579678 490617211 /nfs/dbraw/zinc/61/72/11/490617211.db2.gz QUGNATCZIQEVEP-VIFPVBQESA-N 1 2 221.304 1.349 10 0 BDAELO CC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000220580386 490617290 /nfs/dbraw/zinc/61/72/90/490617290.db2.gz YZQGMDJBGGYGOG-SCZZXKLOSA-N 1 2 235.331 1.738 10 0 BDAELO CC[C@@H](C)NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000220580386 490617296 /nfs/dbraw/zinc/61/72/96/490617296.db2.gz YZQGMDJBGGYGOG-SCZZXKLOSA-N 1 2 235.331 1.738 10 0 BDAELO CCOc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000057326707 521285202 /nfs/dbraw/zinc/28/52/02/521285202.db2.gz UXYJYCUKIYXGSC-UHFFFAOYSA-N 1 2 247.298 1.798 10 0 BDAELO COC(=O)[C@@H]([NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000037514753 523603445 /nfs/dbraw/zinc/60/34/45/523603445.db2.gz VRESDKLTOGEJRF-QMMMGPOBSA-N 1 2 249.188 1.758 10 0 BDAELO CCNC(=O)[C@@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000301261984 535392365 /nfs/dbraw/zinc/39/23/65/535392365.db2.gz SMKNSYDPDFNZHL-LLVKDONJSA-N 1 2 248.330 1.138 10 0 BDAELO COc1cc(C)nc(N2CCn3cc[nH+]c3C2)n1 ZINC000408182913 536700213 /nfs/dbraw/zinc/70/02/13/536700213.db2.gz NZSLGDKHCUVFBG-UHFFFAOYSA-N 1 2 245.286 1.010 10 0 BDAELO Cn1cc(C=O)c(C[NH+]2CCCCC2)n1 ZINC000675053737 566415365 /nfs/dbraw/zinc/41/53/65/566415365.db2.gz KJUOQNLNPXYASX-UHFFFAOYSA-N 1 2 207.277 1.219 10 0 BDAELO C[NH2+][C@@H](C)c1ncc(Br)c(=O)[nH]1 ZINC000757122885 582497911 /nfs/dbraw/zinc/49/79/11/582497911.db2.gz YYVWXXNPEILLRP-BYPYZUCNSA-N 1 2 232.081 1.225 10 0 BDAELO C[C@@H]1CC[NH2+][C@H](c2ccc(C(=O)[O-])cc2)[C@@H]1[NH3+] ZINC000757216075 582560793 /nfs/dbraw/zinc/56/07/93/582560793.db2.gz PDLASTOLOPUGLY-GGZOMVNGSA-N 1 2 234.299 1.383 10 0 BDAELO Nc1cn(Cc2c(F)cccc2F)c[nH+]1 ZINC000074171918 582653436 /nfs/dbraw/zinc/65/34/36/582653436.db2.gz PBUFBWOXKJFTMQ-UHFFFAOYSA-N 1 2 209.199 1.792 10 0 BDAELO [NH3+][C@H]1CCC[NH2+][C@@H]1c1cccc(C(=O)[O-])c1 ZINC000757215102 586440362 /nfs/dbraw/zinc/44/03/62/586440362.db2.gz MJLHVVUKMNVBAP-WDEREUQCSA-N 1 2 220.272 1.137 10 0 BDAELO C[C@@H]1C[NH2+][C@H](c2ccc(C(=O)[O-])cc2)[C@@H]([NH3+])C1 ZINC000757217362 586441803 /nfs/dbraw/zinc/44/18/03/586441803.db2.gz RRQZGWDYVXXKIX-KPXOXKRLSA-N 1 2 234.299 1.383 10 0 BDAELO C[C@@H](O)c1ccc(N2CCC[C@@H]2CO)[nH+]c1 ZINC000124924346 590102298 /nfs/dbraw/zinc/10/22/98/590102298.db2.gz ANTDIJZWHUWMHN-MWLCHTKSSA-N 1 2 222.288 1.096 10 0 BDAELO C[C@@H](Nc1[nH+]c2ccccc2n1C)[C@H](C)O ZINC000336777573 635287748 /nfs/dbraw/zinc/28/77/48/635287748.db2.gz IWUNBSPTNVONNU-BDAKNGLRSA-N 1 2 219.288 1.176 10 0 BDAELO COCC[NH2+]Cc1nc(CC(C)(C)C)no1 ZINC000082675421 631410192 /nfs/dbraw/zinc/41/01/92/631410192.db2.gz AYIVEOGVRJHNCB-UHFFFAOYSA-N 1 2 227.308 1.394 10 0 BDAELO Cn1c(Cl)cnc1C[N@@H+]1CC[C@H](CCO)C1 ZINC000161590073 632095436 /nfs/dbraw/zinc/09/54/36/632095436.db2.gz FDZJLYOMGFRFPO-SECBINFHSA-N 1 2 243.738 1.278 10 0 BDAELO Cn1c(Cl)cnc1C[N@H+]1CC[C@H](CCO)C1 ZINC000161590073 632095444 /nfs/dbraw/zinc/09/54/44/632095444.db2.gz FDZJLYOMGFRFPO-SECBINFHSA-N 1 2 243.738 1.278 10 0 BDAELO CC[NH2+][C@@](C)(C[C@@H](C)n1cc[nH+]c1)C(=O)[O-] ZINC000082800135 643382628 /nfs/dbraw/zinc/38/26/28/643382628.db2.gz FPLBTOIXEWJZAQ-KOLCDFICSA-N 1 2 225.292 1.287 10 0 BDAELO c1ncc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cn1 ZINC000245512710 644527455 /nfs/dbraw/zinc/52/74/55/644527455.db2.gz ARBMBQRVCYSIRI-CHWSQXEVSA-N 1 2 233.315 1.620 10 0 BDAELO c1ncc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)cn1 ZINC000245512710 644527459 /nfs/dbraw/zinc/52/74/59/644527459.db2.gz ARBMBQRVCYSIRI-CHWSQXEVSA-N 1 2 233.315 1.620 10 0 BDAELO COCc1nc(CNC[C@@H]2CC[N@@H+]2C)cs1 ZINC000712571100 712447627 /nfs/dbraw/zinc/44/76/27/712447627.db2.gz WFPYKZJUHBWKBW-JTQLQIEISA-N 1 2 241.360 1.083 10 0 BDAELO COCc1nc(CNC[C@@H]2CC[N@H+]2C)cs1 ZINC000712571100 712447628 /nfs/dbraw/zinc/44/76/28/712447628.db2.gz WFPYKZJUHBWKBW-JTQLQIEISA-N 1 2 241.360 1.083 10 0 BDAELO Cc1nc(N[C@H](C)c2cn(C)nn2)cc[nH+]1 ZINC000720584371 712854941 /nfs/dbraw/zinc/85/49/41/712854941.db2.gz RAUMCLCMDUMVSG-SSDOTTSWSA-N 1 2 218.264 1.087 10 0 BDAELO C[C@H]([NH2+][C@H]1CCCc2n[nH]cc21)c1cn(C)nn1 ZINC000720601135 712857291 /nfs/dbraw/zinc/85/72/91/712857291.db2.gz HEUAYDDUJKRAPN-WPRPVWTQSA-N 1 2 246.318 1.266 10 0 BDAELO CCC[N@H+](CC(=O)[O-])Cc1c[nH+]c(C)n1C ZINC000689726662 976261112 /nfs/dbraw/zinc/26/11/12/976261112.db2.gz ADUIIGKTIFUCQV-UHFFFAOYSA-N 1 2 225.292 1.025 10 0 BDAELO CCC[N@@H+](CC(=O)[O-])Cc1c[nH+]c(C)n1C ZINC000689726662 976261120 /nfs/dbraw/zinc/26/11/20/976261120.db2.gz ADUIIGKTIFUCQV-UHFFFAOYSA-N 1 2 225.292 1.025 10 0 BDAELO CCOC(=O)C(F)(F)C[NH2+][C@@H](C)CC ZINC000685957030 538903490 /nfs/dbraw/zinc/90/34/90/538903490.db2.gz KMZQPIKBOMMGEA-ZETCQYMHSA-N 1 2 209.236 1.573 10 0 BDAELO C[NH2+]CC(F)(F)CN1C[C@@H](C)C[C@@H]1C ZINC000685957071 538903551 /nfs/dbraw/zinc/90/35/51/538903551.db2.gz LMHGPFDJJMTJEB-IUCAKERBSA-N 1 2 206.280 1.571 10 0 BDAELO CNCC(F)(F)C[NH+]1CCCCCC1 ZINC000685957637 538905110 /nfs/dbraw/zinc/90/51/10/538905110.db2.gz WDSFEIWHHCUJOX-UHFFFAOYSA-N 1 2 206.280 1.717 10 0 BDAELO Nc1cn(Cc2cc(F)ccc2F)c[nH+]1 ZINC000685964283 538911032 /nfs/dbraw/zinc/91/10/32/538911032.db2.gz HZUOZHBYFNGDFL-UHFFFAOYSA-N 1 2 209.199 1.792 10 0 BDAELO CCC[C@H](C(=O)OCC)n1c[nH+]c(N)c1 ZINC000685964148 538911099 /nfs/dbraw/zinc/91/10/99/538911099.db2.gz BJUYAZCQHVQJSI-MRVPVSSYSA-N 1 2 211.265 1.370 10 0 BDAELO CCC(CC)C(=O)N1CCc2c([nH+]cn2C)C1 ZINC000370745152 168336326 /nfs/dbraw/zinc/33/63/26/168336326.db2.gz NQBBRFWHCJRBCX-UHFFFAOYSA-N 1 2 235.331 1.741 10 0 BDAELO Cc1cc(F)cc(NC(=O)[C@@H]2COCC[NH2+]2)c1 ZINC000091514223 178078542 /nfs/dbraw/zinc/07/85/42/178078542.db2.gz FJSZRIMFMPNFHB-NSHDSACASA-N 1 2 238.262 1.061 10 0 BDAELO Cc1cc(F)ccc1-n1ncc2c1nc[nH+]c2N ZINC000104412362 178081070 /nfs/dbraw/zinc/08/10/70/178081070.db2.gz IVKRJXVIGYJVBM-UHFFFAOYSA-N 1 2 243.245 1.845 10 0 BDAELO Cc1cc([NH3+])ccc1N1CCC[C@@H]1C(=O)N(C)C ZINC000057568867 178105539 /nfs/dbraw/zinc/10/55/39/178105539.db2.gz FXYHLCDEBCMROJ-CYBMUJFWSA-N 1 2 247.342 1.634 10 0 BDAELO Cc1cc([NH3+])ccc1N[C@@H]1CCCNC1=O ZINC000050397347 178106831 /nfs/dbraw/zinc/10/68/31/178106831.db2.gz OXYYWBQLFIYAAR-LLVKDONJSA-N 1 2 219.288 1.268 10 0 BDAELO Cc1cc([NH3+])ccc1NCc1cc[nH]n1 ZINC000041014308 178107062 /nfs/dbraw/zinc/10/70/62/178107062.db2.gz BBNZBFCATCKFPX-UHFFFAOYSA-N 1 2 202.261 1.912 10 0 BDAELO Cc1cc(NC2CCC(O)CC2)nc[nH+]1 ZINC000040726996 178154602 /nfs/dbraw/zinc/15/46/02/178154602.db2.gz APEHVVWHSORXRU-UHFFFAOYSA-N 1 2 207.277 1.500 10 0 BDAELO Cc1cc(N[C@]2(C)CCCOC2)nc[nH+]1 ZINC000309168508 178192561 /nfs/dbraw/zinc/19/25/61/178192561.db2.gz KDQJLJQRMLGAPX-LLVKDONJSA-N 1 2 207.277 1.766 10 0 BDAELO Cc1cc(Nc2nc[nH+]c(NC(C)C)c2N)no1 ZINC000040680847 178193521 /nfs/dbraw/zinc/19/35/21/178193521.db2.gz LWUCXYXBOYWGEY-UHFFFAOYSA-N 1 2 248.290 1.919 10 0 BDAELO c1csc([C@H]2[NH2+]CCc3occc32)n1 ZINC000710002663 539027822 /nfs/dbraw/zinc/02/78/22/539027822.db2.gz MOLQZQSSQPDSQI-VIFPVBQESA-N 1 2 206.270 1.971 10 0 BDAELO COC(=O)[C@H]([NH3+])[C@H](O)c1ccc(Cl)c(F)c1 ZINC000389961134 539019000 /nfs/dbraw/zinc/01/90/00/539019000.db2.gz NAMHRQQPXAUQGE-RKDXNWHRSA-N 1 2 247.653 1.013 10 0 BDAELO CCNc1nc[nH+]c(N)c1Br ZINC000233671996 342877112 /nfs/dbraw/zinc/87/71/12/342877112.db2.gz SHEXXBONUIDXHJ-UHFFFAOYSA-N 1 2 217.070 1.253 10 0 BDAELO CCNc1[nH+]cnc(N)c1Br ZINC000233671996 342877113 /nfs/dbraw/zinc/87/71/13/342877113.db2.gz SHEXXBONUIDXHJ-UHFFFAOYSA-N 1 2 217.070 1.253 10 0 BDAELO CCc1c(C)[nH]n(-c2cc(N)cc[nH+]2)c1=O ZINC000584880261 343081024 /nfs/dbraw/zinc/08/10/24/343081024.db2.gz JZLLGUHKFAUGDD-SECBINFHSA-N 1 2 218.260 1.413 10 0 BDAELO Cn1cc(Sc2cc(N)cc[nH+]2)cn1 ZINC000043569757 343179519 /nfs/dbraw/zinc/17/95/19/343179519.db2.gz IHLUAOBQEUTETD-UHFFFAOYSA-N 1 2 206.274 1.549 10 0 BDAELO CCOc1cc(C)nc(-n2cc[nH+]c2)n1 ZINC000039099323 343383070 /nfs/dbraw/zinc/38/30/70/343383070.db2.gz GYWARUMEOXBMQX-UHFFFAOYSA-N 1 2 204.233 1.369 10 0 BDAELO Cn1ncc([C@H]2[NH2+]CCc3nc[nH]c32)c1Cl ZINC000712426965 537788026 /nfs/dbraw/zinc/78/80/26/537788026.db2.gz KOALRUJNLDVKKA-MRVPVSSYSA-N 1 2 237.694 1.032 10 0 BDAELO CN(C)c1nc(NCc2ccccc2)nc(N)[nH+]1 ZINC000128360561 346954309 /nfs/dbraw/zinc/95/43/09/346954309.db2.gz DMTRFEKZNMAWPD-UHFFFAOYSA-N 1 2 244.302 1.132 10 0 BDAELO CN(C)c1nc(N)nc(NCc2ccccc2)[nH+]1 ZINC000128360561 346954310 /nfs/dbraw/zinc/95/43/10/346954310.db2.gz DMTRFEKZNMAWPD-UHFFFAOYSA-N 1 2 244.302 1.132 10 0 BDAELO C[NH2+][C@@H](c1csnn1)c1ccccc1 ZINC000159001764 346956874 /nfs/dbraw/zinc/95/68/74/346956874.db2.gz HABIQUHHJVSNTK-SNVBAGLBSA-N 1 2 205.286 1.847 10 0 BDAELO CCc1cc(N2CCC[C@@H](C(=O)OC)C2)nc[nH+]1 ZINC000096523275 343758382 /nfs/dbraw/zinc/75/83/82/343758382.db2.gz YJYLLYMGXMFGCL-SNVBAGLBSA-N 1 2 249.314 1.428 10 0 BDAELO CCOC[C@]1(C(F)(F)F)CCN([NH3+])C1 ZINC000409432613 343827107 /nfs/dbraw/zinc/82/71/07/343827107.db2.gz LJGNAMGKUSTMGX-ZETCQYMHSA-N 1 2 212.215 1.151 10 0 BDAELO C[C@@H]1C[C@@H](C(F)F)N2NC(C(F)F)=NC2=[NH+]1 ZINC000720978717 537895225 /nfs/dbraw/zinc/89/52/25/537895225.db2.gz ULLXKHNWQIHXHU-DMTCNVIQSA-N 1 2 238.188 1.252 10 0 BDAELO COCC[N@@H+]1CCO[C@@H](c2ccc(C)o2)C1 ZINC000158685033 345363678 /nfs/dbraw/zinc/36/36/78/345363678.db2.gz LQGFSULLFMLTHF-GFCCVEGCSA-N 1 2 225.288 1.608 10 0 BDAELO COCC[N@H+]1CCO[C@@H](c2ccc(C)o2)C1 ZINC000158685033 345363679 /nfs/dbraw/zinc/36/36/79/345363679.db2.gz LQGFSULLFMLTHF-GFCCVEGCSA-N 1 2 225.288 1.608 10 0 BDAELO Cc1c[nH+]c(-n2cc(Cl)cn2)cc1N ZINC000133319151 345369499 /nfs/dbraw/zinc/36/94/99/345369499.db2.gz JUHPQWZXUZDGNS-UHFFFAOYSA-N 1 2 208.652 1.811 10 0 BDAELO Cc1cc(NCc2[nH]cc[nH+]2)nc(Cl)n1 ZINC000229308699 345490477 /nfs/dbraw/zinc/49/04/77/345490477.db2.gz MSVJOMAWZHXQFY-UHFFFAOYSA-N 1 2 223.667 1.774 10 0 BDAELO COC(=O)[C@@H]1CSC[C@H](C2CCCC2)[NH2+]1 ZINC000158859899 345627590 /nfs/dbraw/zinc/62/75/90/345627590.db2.gz SPBAOEVXEZOBHK-ZJUUUORDSA-N 1 2 229.345 1.423 10 0 BDAELO COc1cccc([C@H]2C[N@H+](C)CCO2)c1 ZINC000143820285 345912780 /nfs/dbraw/zinc/91/27/80/345912780.db2.gz WFOZTIYELMXAGQ-GFCCVEGCSA-N 1 2 207.273 1.698 10 0 BDAELO COc1cccc([C@H]2C[N@@H+](C)CCO2)c1 ZINC000143820285 345912783 /nfs/dbraw/zinc/91/27/83/345912783.db2.gz WFOZTIYELMXAGQ-GFCCVEGCSA-N 1 2 207.273 1.698 10 0 BDAELO Cc1cc(C)[nH+]c(Cn2cc(N)cn2)c1 ZINC000723656989 537936723 /nfs/dbraw/zinc/93/67/23/537936723.db2.gz JPDBJRYDRSRTKU-UHFFFAOYSA-N 1 2 202.261 1.525 10 0 BDAELO Nc1[nH+]cnc(NCC2CC2)c1Br ZINC000236390636 346233640 /nfs/dbraw/zinc/23/36/40/346233640.db2.gz FQMCENANACQHLW-UHFFFAOYSA-N 1 2 243.108 1.643 10 0 BDAELO Nc1nc[nH+]c(NCC2CC2)c1Br ZINC000236390636 346233643 /nfs/dbraw/zinc/23/36/43/346233643.db2.gz FQMCENANACQHLW-UHFFFAOYSA-N 1 2 243.108 1.643 10 0 BDAELO CC(C)C(=O)N1CCNc2[nH+]cccc2C1 ZINC000669378593 537968307 /nfs/dbraw/zinc/96/83/07/537968307.db2.gz IQOMOQHUGWNMKM-UHFFFAOYSA-N 1 2 219.288 1.492 10 0 BDAELO [NH3+][C@](CF)(c1ccccc1F)[C@@H](F)CO ZINC000205532717 346678224 /nfs/dbraw/zinc/67/82/24/346678224.db2.gz RDAZRMCKGYTKEI-VHSXEESVSA-N 1 2 219.206 1.280 10 0 BDAELO CO[C@H]1C[C@H](CO)N(c2[nH]c3ccccc3[nH+]2)C1 ZINC000310906450 347327746 /nfs/dbraw/zinc/32/77/46/347327746.db2.gz XGKJQUDUWLMZMM-ZJUUUORDSA-N 1 2 247.298 1.149 10 0 BDAELO COc1cccc(-c2c[nH+]c(NN)cn2)c1 ZINC000196566627 538049859 /nfs/dbraw/zinc/04/98/59/538049859.db2.gz PTNIXXXMVAQWJU-UHFFFAOYSA-N 1 2 216.244 1.438 10 0 BDAELO Cc1ccc([C@H]([NH3+])c2noc(C)n2)s1 ZINC000041676983 180038940 /nfs/dbraw/zinc/03/89/40/180038940.db2.gz UTZXUNUNHUNILT-QMMMGPOBSA-N 1 2 209.274 1.796 10 0 BDAELO Cc1nc([C@H](C)[NH2+][C@H]2CCCNC2=O)cs1 ZINC000050395031 180051236 /nfs/dbraw/zinc/05/12/36/180051236.db2.gz SLXBZRGYCRHALA-CBAPKCEASA-N 1 2 239.344 1.381 10 0 BDAELO Cc1[nH+]c2cccc(Br)n2c1CO ZINC000036244390 180100546 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356590657 /nfs/dbraw/zinc/59/06/57/356590657.db2.gz OXNZLZQCBDVRLE-BDAKNGLRSA-N 1 2 207.264 1.734 10 0 BDAELO NC(=O)c1cc(Br)cc2[nH+]ccn21 ZINC000089202356 181287401 /nfs/dbraw/zinc/28/74/01/181287401.db2.gz YBSCODAPYRKJIZ-UHFFFAOYSA-N 1 2 240.060 1.196 10 0 BDAELO Cc1ccc(C(=O)[C@H]2COCC[NH2+]2)s1 ZINC000226430044 357053896 /nfs/dbraw/zinc/05/38/96/357053896.db2.gz LDCNXEXVDGOTBK-MRVPVSSYSA-N 1 2 211.286 1.228 10 0 BDAELO CC[C@@H](C)CC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000188466966 357555625 /nfs/dbraw/zinc/55/56/25/357555625.db2.gz ZFMGQVCARCBNPH-VXGBXAGGSA-N 1 2 242.363 1.260 10 0 BDAELO Cc1cc(C[NH2+][C@@H](C)c2ncc(C)o2)n(C)n1 ZINC000231742258 357624219 /nfs/dbraw/zinc/62/42/19/357624219.db2.gz WRQQMRBKMLEXCJ-JTQLQIEISA-N 1 2 234.303 1.876 10 0 BDAELO COc1ccc[nH+]c1N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398961446 357891753 /nfs/dbraw/zinc/89/17/53/357891753.db2.gz VCNRUBDQPLKSMF-QJPTWQEYSA-N 1 2 248.326 1.687 10 0 BDAELO CCCCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172762933 134269322 /nfs/dbraw/zinc/26/93/22/134269322.db2.gz DGVVTFVYMZOMTN-LBPRGKRZSA-N 1 2 240.347 1.110 10 0 BDAELO CCC[C@@H](C)CN1CC[NH+](C[C@@H](O)CC)CC1 ZINC000180163730 366388117 /nfs/dbraw/zinc/38/81/17/366388117.db2.gz JCCRYSWUFLEAMT-KGLIPLIRSA-N 1 2 242.407 1.811 10 0 BDAELO O=C(NC1CC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000175600119 134288100 /nfs/dbraw/zinc/28/81/00/134288100.db2.gz LLSPXFMHHALTII-LLVKDONJSA-N 1 2 234.303 1.220 10 0 BDAELO O=C(C1CCC1)N1CCn2cc[nH+]c2C1 ZINC000074785175 359128639 /nfs/dbraw/zinc/12/86/39/359128639.db2.gz XYGINKXEAIACGT-UHFFFAOYSA-N 1 2 205.261 1.025 10 0 BDAELO C[C@@H](O)[C@@H](C)Nc1cc(N)cc(Cl)[nH+]1 ZINC000306210247 359303191 /nfs/dbraw/zinc/30/31/91/359303191.db2.gz GMCJDNAQDZEKCW-PHDIDXHHSA-N 1 2 215.684 1.498 10 0 BDAELO C[C@@H](O)C(C)(C)C[N@@H+]1CCC(F)(F)C1 ZINC000306246376 359435435 /nfs/dbraw/zinc/43/54/35/359435435.db2.gz RJVKDZKFIUTWRP-MRVPVSSYSA-N 1 2 207.264 1.734 10 0 BDAELO C[C@@H](O)C(C)(C)C[N@H+]1CCC(F)(F)C1 ZINC000306246376 359435438 /nfs/dbraw/zinc/43/54/38/359435438.db2.gz RJVKDZKFIUTWRP-MRVPVSSYSA-N 1 2 207.264 1.734 10 0 BDAELO Cc1ccc(C(N)=S)c(N2CCC2)[nH+]1 ZINC000306250418 359448260 /nfs/dbraw/zinc/44/82/60/359448260.db2.gz SEDHODJXXIVDRH-UHFFFAOYSA-N 1 2 207.302 1.234 10 0 BDAELO CC(C)([C@H]([NH3+])c1ccco1)S(C)(=O)=O ZINC000069693742 359796730 /nfs/dbraw/zinc/79/67/30/359796730.db2.gz MDBNIDUNVJJJPU-MRVPVSSYSA-N 1 2 217.290 1.103 10 0 BDAELO CCC[C@H](C(=O)OCC)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000096593389 360350283 /nfs/dbraw/zinc/35/02/83/360350283.db2.gz YMACBICYUYTFQR-IJLUTSLNSA-N 1 2 243.347 1.827 10 0 BDAELO C[NH+]1CC(Nc2nnc(Br)s2)C1 ZINC000306553017 360426916 /nfs/dbraw/zinc/42/69/16/360426916.db2.gz BBAUEAUUDUPCGL-UHFFFAOYSA-N 1 2 249.137 1.027 10 0 BDAELO NC(=O)c1ccc(Oc2cc[nH+]cc2N)cc1 ZINC000020370809 181301238 /nfs/dbraw/zinc/30/12/38/181301238.db2.gz QQFRISHMMMAPNA-UHFFFAOYSA-N 1 2 229.239 1.555 10 0 BDAELO O=C(C[NH+]1CCCCC1)c1ccns1 ZINC000306578073 360466404 /nfs/dbraw/zinc/46/64/04/360466404.db2.gz LSTFAOQRTISENZ-UHFFFAOYSA-N 1 2 210.302 1.812 10 0 BDAELO NC(=S)c1cc[nH+]c(NCc2ccco2)c1 ZINC000019488721 181322165 /nfs/dbraw/zinc/32/21/65/181322165.db2.gz BLLWPNIRCOAQRI-UHFFFAOYSA-N 1 2 233.296 1.921 10 0 BDAELO Cc1c(CO)nccc1[C@H](C)c1c[nH]c[nH+]1 ZINC000143191440 361518420 /nfs/dbraw/zinc/51/84/20/361518420.db2.gz JPHVPPDHUJTRBZ-QMMMGPOBSA-N 1 2 217.272 1.757 10 0 BDAELO COC(=O)[C@@](C)([NH3+])c1c(F)cccc1F ZINC000037459667 364046332 /nfs/dbraw/zinc/04/63/32/364046332.db2.gz KFYVDWUMDHILOZ-JTQLQIEISA-N 1 2 215.199 1.312 10 0 BDAELO COC(=O)[C@H]([NH3+])c1c(F)cccc1Cl ZINC000037459792 364046397 /nfs/dbraw/zinc/04/63/97/364046397.db2.gz RACRGCRHUOXOTR-MRVPVSSYSA-N 1 2 217.627 1.652 10 0 BDAELO CCn1cc[nH+]c1CN1[C@H](C)COC[C@H]1C ZINC000172668444 365369254 /nfs/dbraw/zinc/36/92/54/365369254.db2.gz QEKRBYXOAFOAGG-GHMZBOCLSA-N 1 2 223.320 1.512 10 0 BDAELO C[N@H+](CC(F)F)[C@@H]1CCCCC[C@H]1O ZINC000252982778 368178235 /nfs/dbraw/zinc/17/82/35/368178235.db2.gz XZFTZNOGRRBOCT-RKDXNWHRSA-N 1 2 207.264 1.877 10 0 BDAELO C[N@@H+](CC(F)F)[C@@H]1CCCCC[C@H]1O ZINC000252982778 368178240 /nfs/dbraw/zinc/17/82/40/368178240.db2.gz XZFTZNOGRRBOCT-RKDXNWHRSA-N 1 2 207.264 1.877 10 0 BDAELO CCNc1nc(SC)[nH+]c(N)c1Cl ZINC000223978080 368366184 /nfs/dbraw/zinc/36/61/84/368366184.db2.gz KADLCLXBHSQTGK-UHFFFAOYSA-N 1 2 218.713 1.866 10 0 BDAELO CCNc1[nH+]c(SC)nc(N)c1Cl ZINC000223978080 368366186 /nfs/dbraw/zinc/36/61/86/368366186.db2.gz KADLCLXBHSQTGK-UHFFFAOYSA-N 1 2 218.713 1.866 10 0 BDAELO COc1ccc[nH+]c1N1C[C@H](C)C[C@@H](O)C1 ZINC000401692251 371801127 /nfs/dbraw/zinc/80/11/27/371801127.db2.gz GZEDGFPJDIIBHO-NXEZZACHSA-N 1 2 222.288 1.297 10 0 BDAELO Cc1ncsc1[C@H]([NH3+])c1nccn1C ZINC000163104741 371929049 /nfs/dbraw/zinc/92/90/49/371929049.db2.gz MUMZTWJIDPVGKB-ZETCQYMHSA-N 1 2 208.290 1.233 10 0 BDAELO COC(=O)[C@@H](C)NC1=[NH+][C@H](C)CCS1 ZINC000133543751 372072371 /nfs/dbraw/zinc/07/23/71/372072371.db2.gz WDBIGILOBPAQSY-RNFRBKRXSA-N 1 2 216.306 1.019 10 0 BDAELO C[C@@H]1C[NH2+][C@H](c2c(Cl)cnn2C)S1 ZINC000307592483 372130452 /nfs/dbraw/zinc/13/04/52/372130452.db2.gz FFORMJLOSHXOAR-XRGYYRRGSA-N 1 2 217.725 1.797 10 0 BDAELO O=C(N1CC[N@@H+]2CCCC[C@H]2C1)C(F)(F)F ZINC000112022590 182080886 /nfs/dbraw/zinc/08/08/86/182080886.db2.gz COLDNFPMNDASKL-QMMMGPOBSA-N 1 2 236.237 1.245 10 0 BDAELO O=C(N1CC[N@H+]2CCCC[C@H]2C1)C(F)(F)F ZINC000112022590 182080887 /nfs/dbraw/zinc/08/08/87/182080887.db2.gz COLDNFPMNDASKL-QMMMGPOBSA-N 1 2 236.237 1.245 10 0 BDAELO O=C(Nc1cc(F)ccc1F)[C@@H]1CSC[NH2+]1 ZINC000019435516 182349653 /nfs/dbraw/zinc/34/96/53/182349653.db2.gz CSQVUGPLAPLJSM-VIFPVBQESA-N 1 2 244.266 1.566 10 0 BDAELO Cc1cnc([C@@H](C)[NH2+]CC(=O)N2CCCC2)o1 ZINC000220900844 134314757 /nfs/dbraw/zinc/31/47/57/134314757.db2.gz GYERYGLEDAUOOV-SNVBAGLBSA-N 1 2 237.303 1.256 10 0 BDAELO OC[C@@H]1C[N@H+](C/C=C/c2ccccc2)CCO1 ZINC000094268277 183126876 /nfs/dbraw/zinc/12/68/76/183126876.db2.gz HFQQQHFVHGTRCL-GBXSZLQWSA-N 1 2 233.311 1.393 10 0 BDAELO OC[C@@H]1C[N@@H+](C/C=C/c2ccccc2)CCO1 ZINC000094268277 183126878 /nfs/dbraw/zinc/12/68/78/183126878.db2.gz HFQQQHFVHGTRCL-GBXSZLQWSA-N 1 2 233.311 1.393 10 0 BDAELO OCc1c[nH+]cn1CCc1ccc(F)cc1 ZINC000085200036 183170209 /nfs/dbraw/zinc/17/02/09/183170209.db2.gz PFBLIBYRXGPSBL-UHFFFAOYSA-N 1 2 220.247 1.757 10 0 BDAELO O[C@@H](C[NH+]1CC(n2cccn2)C1)CC(F)(F)F ZINC000372734743 183176591 /nfs/dbraw/zinc/17/65/91/183176591.db2.gz CVYNYWOVXDVHEB-SECBINFHSA-N 1 2 249.236 1.053 10 0 BDAELO O[C@H]1c2ccccc2C[C@H]1n1cc[nH+]c1 ZINC000021994679 183250400 /nfs/dbraw/zinc/25/04/00/183250400.db2.gz KBHBZXLVSVKQLI-NEPJUHHUSA-N 1 2 200.241 1.714 10 0 BDAELO CCCNC(=O)OCCCc1c[nH+]c[nH]1 ZINC000013782926 169241658 /nfs/dbraw/zinc/24/16/58/169241658.db2.gz MPPKYFDZZJRNTH-UHFFFAOYSA-N 1 2 211.265 1.479 10 0 BDAELO CCCNC(=O)OCCCc1c[nH]c[nH+]1 ZINC000013782926 169241661 /nfs/dbraw/zinc/24/16/61/169241661.db2.gz MPPKYFDZZJRNTH-UHFFFAOYSA-N 1 2 211.265 1.479 10 0 BDAELO CCCNC(=O)[C@H](C)Nc1ccc([NH3+])cc1C 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/nfs/dbraw/zinc/31/31/57/167313157.db2.gz RFYNTZHMVUERIH-UHFFFAOYSA-N 1 2 208.261 1.992 10 0 BDAELO C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2C[NH2+]C[C@H](C(=O)[O-])C2)C1 ZINC000536959561 411265879 /nfs/dbraw/zinc/26/58/79/411265879.db2.gz OKPBDTMDKPVYPV-KXNHARMFSA-N 1 2 240.347 1.027 10 0 BDAELO C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2C[NH2+]C[C@H](C(=O)[O-])C2)C1 ZINC000536959561 411265882 /nfs/dbraw/zinc/26/58/82/411265882.db2.gz OKPBDTMDKPVYPV-KXNHARMFSA-N 1 2 240.347 1.027 10 0 BDAELO CC(C)c1nsc(N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000382456148 411290403 /nfs/dbraw/zinc/29/04/03/411290403.db2.gz QNSKCOODBAVUON-DTWKUNHWSA-N 1 2 240.376 1.765 10 0 BDAELO CC(C)[N@@H+]1CCO[C@H](OC(F)(F)F)C1 ZINC000616648128 411410997 /nfs/dbraw/zinc/41/09/97/411410997.db2.gz QYBNLCFZDNYKEB-SSDOTTSWSA-N 1 2 213.199 1.590 10 0 BDAELO CC(C)[N@H+]1CCO[C@H](OC(F)(F)F)C1 ZINC000616648128 411410999 /nfs/dbraw/zinc/41/09/99/411410999.db2.gz QYBNLCFZDNYKEB-SSDOTTSWSA-N 1 2 213.199 1.590 10 0 BDAELO CC[N@@H+]1C[C@H]([NH2+]C[C@@H]2CCCOC2)[C@@H](C)C1 ZINC000336775992 170034610 /nfs/dbraw/zinc/03/46/10/170034610.db2.gz DHVPLZVDJKQNKJ-AVGNSLFASA-N 1 2 226.364 1.343 10 0 BDAELO CCNC(=O)CNc1ccc2cc(N)ccc2[nH+]1 ZINC000036780211 170066356 /nfs/dbraw/zinc/06/63/56/170066356.db2.gz COEWTXRJVYEJBL-UHFFFAOYSA-N 1 2 244.298 1.365 10 0 BDAELO CCNC(=O)[C@H](C)Nc1cn[nH+]c2ccccc12 ZINC000104122412 170097003 /nfs/dbraw/zinc/09/70/03/170097003.db2.gz DOSPOOXGWVNMFD-VIFPVBQESA-N 1 2 244.298 1.566 10 0 BDAELO CCNc1[nH+]cccc1Cn1ccnc1 ZINC000052732290 170178199 /nfs/dbraw/zinc/17/81/99/170178199.db2.gz STCLAFWCEPCBDX-UHFFFAOYSA-N 1 2 202.261 1.758 10 0 BDAELO CCNc1[nH+]cccc1Cn1cccnc1=O ZINC000052732103 170178694 /nfs/dbraw/zinc/17/86/94/170178694.db2.gz POMIQUMRZYDGOX-UHFFFAOYSA-N 1 2 230.271 1.118 10 0 BDAELO CCOC(=O)C[N@H+](C)Cc1ccccc1N ZINC000035360804 170215175 /nfs/dbraw/zinc/21/51/75/170215175.db2.gz SEJSKFBMCMOBCZ-UHFFFAOYSA-N 1 2 222.288 1.264 10 0 BDAELO CCOC(=O)C[N@@H+](C)Cc1ccccc1N ZINC000035360804 170215177 /nfs/dbraw/zinc/21/51/77/170215177.db2.gz SEJSKFBMCMOBCZ-UHFFFAOYSA-N 1 2 222.288 1.264 10 0 BDAELO CCOC(=O)[C@@H]([NH3+])c1cc(F)ccc1F ZINC000033708028 170253438 /nfs/dbraw/zinc/25/34/38/170253438.db2.gz KLGBFKQSVSOBIC-VIFPVBQESA-N 1 2 215.199 1.528 10 0 BDAELO CCOC(=O)[C@@H]([NH3+])Cc1cc(C)ccc1O ZINC000044356513 170253518 /nfs/dbraw/zinc/25/35/18/170253518.db2.gz JIMRSGSAIFDWHX-JTQLQIEISA-N 1 2 223.272 1.134 10 0 BDAELO CCOC(=O)[C@@H]([NH3+])c1c[nH]c2ccccc21 ZINC000034409063 170254118 /nfs/dbraw/zinc/25/41/18/170254118.db2.gz IVHQNHHFWAQLNC-NSHDSACASA-N 1 2 218.256 1.731 10 0 BDAELO CCOC(=O)[C@@H]([NH3+])c1cccc(OC)c1 ZINC000033587139 170254884 /nfs/dbraw/zinc/25/48/84/170254884.db2.gz DAOGOEXQLUKVGC-JTQLQIEISA-N 1 2 209.245 1.258 10 0 BDAELO CCOC(=O)[C@H](C)[NH2+]CCc1cccc(F)c1 ZINC000043637771 170267827 /nfs/dbraw/zinc/26/78/27/170267827.db2.gz ASCVHZOVSRBICZ-JTQLQIEISA-N 1 2 239.290 1.909 10 0 BDAELO CCOC(=O)[C@H]([NH3+])COc1ccccc1C ZINC000045517265 170275585 /nfs/dbraw/zinc/27/55/85/170275585.db2.gz KWDPKIPTMWCDHX-SNVBAGLBSA-N 1 2 223.272 1.264 10 0 BDAELO CCOC(=O)[C@H]([NH3+])COC1CCCCC1 ZINC000045505350 170275891 /nfs/dbraw/zinc/27/58/91/170275891.db2.gz JAWTYZDKMSPLHF-SNVBAGLBSA-N 1 2 215.293 1.226 10 0 BDAELO CCOC(=O)[C@H]([NH3+])c1cc(C)sc1C ZINC000049687677 170276768 /nfs/dbraw/zinc/27/67/68/170276768.db2.gz JGGPHKUUVJIEPC-SECBINFHSA-N 1 2 213.302 1.928 10 0 BDAELO CC[N@@H+]1CCOC[C@H]1c1ccc(N)nc1 ZINC000616641631 411857794 /nfs/dbraw/zinc/85/77/94/411857794.db2.gz LURAPUUHWIZMFG-JTQLQIEISA-N 1 2 207.277 1.057 10 0 BDAELO CC[N@H+]1CCOC[C@H]1c1ccc(N)nc1 ZINC000616641631 411857796 /nfs/dbraw/zinc/85/77/96/411857796.db2.gz LURAPUUHWIZMFG-JTQLQIEISA-N 1 2 207.277 1.057 10 0 BDAELO CCOC(=O)N1CC[C@H](c2ccc(N)[nH+]c2)C1 ZINC000616610644 411862318 /nfs/dbraw/zinc/86/23/18/411862318.db2.gz RCXXXAPPJXMTMU-JTQLQIEISA-N 1 2 235.287 1.610 10 0 BDAELO COC(=O)N1CCC[C@H]1c1cc[nH+]c(N)c1 ZINC000616607521 411908132 /nfs/dbraw/zinc/90/81/32/411908132.db2.gz UKXWDJQUPQYJAB-VIFPVBQESA-N 1 2 221.260 1.567 10 0 BDAELO CC[C@@H]1C[N@H+](Cc2ccc(NC)nc2)CCO1 ZINC000050813711 171089887 /nfs/dbraw/zinc/08/98/87/171089887.db2.gz XKHANQJIHLHFKJ-GFCCVEGCSA-N 1 2 235.331 1.734 10 0 BDAELO CC[C@@H]1C[N@@H+](Cc2ccc(NC)nc2)CCO1 ZINC000050813711 171089890 /nfs/dbraw/zinc/08/98/90/171089890.db2.gz XKHANQJIHLHFKJ-GFCCVEGCSA-N 1 2 235.331 1.734 10 0 BDAELO CC[C@H](C)[C@@H](NCc1c[nH+]c(C)[nH]1)C(=O)OC ZINC000054822074 171374274 /nfs/dbraw/zinc/37/42/74/171374274.db2.gz POFTUJUSCSWRFS-GZMMTYOYSA-N 1 2 239.319 1.395 10 0 BDAELO CC[C@H](C)[C@@H](NCc1c[nH]c(C)[nH+]1)C(=O)OC ZINC000054822074 171374276 /nfs/dbraw/zinc/37/42/76/171374276.db2.gz POFTUJUSCSWRFS-GZMMTYOYSA-N 1 2 239.319 1.395 10 0 BDAELO CCc1nc([C@H]([NH3+])c2c(F)cccc2F)no1 ZINC000036762754 172007549 /nfs/dbraw/zinc/00/75/49/172007549.db2.gz KWXDQYGBDNVECC-SNVBAGLBSA-N 1 2 239.225 1.958 10 0 BDAELO CCn1c(C)c(C)c2c1nc(C)[nH+]c2N ZINC000034976291 172134947 /nfs/dbraw/zinc/13/49/47/172134947.db2.gz NETFTMLTOCZGNQ-UHFFFAOYSA-N 1 2 204.277 1.959 10 0 BDAELO CN(C(=O)CN1CCc2cc([NH3+])ccc21)C1CC1 ZINC000049305753 172309298 /nfs/dbraw/zinc/30/92/98/172309298.db2.gz MGJBFFILHYTMTK-UHFFFAOYSA-N 1 2 245.326 1.252 10 0 BDAELO CN(C)C(=O)CCNc1ccc([NH+](C)C)cc1 ZINC000037897931 172361138 /nfs/dbraw/zinc/36/11/38/172361138.db2.gz XMFBMZKTGGWTHP-UHFFFAOYSA-N 1 2 235.331 1.643 10 0 BDAELO CN(C)C(=O)CC[NH2+]c1ccc(N(C)C)cc1 ZINC000037897931 172361139 /nfs/dbraw/zinc/36/11/39/172361139.db2.gz XMFBMZKTGGWTHP-UHFFFAOYSA-N 1 2 235.331 1.643 10 0 BDAELO C[N@@H+]1CCC[C@]12NC(=O)c1ccccc12 ZINC000070457525 173061989 /nfs/dbraw/zinc/06/19/89/173061989.db2.gz LTUZVVOPXHMYOH-LBPRGKRZSA-N 1 2 202.257 1.308 10 0 biogenic,in-vitro BDAELO C[N@H+]1CCC[C@]12NC(=O)c1ccccc12 ZINC000070457525 173061991 /nfs/dbraw/zinc/06/19/91/173061991.db2.gz LTUZVVOPXHMYOH-LBPRGKRZSA-N 1 2 202.257 1.308 10 0 biogenic,in-vitro BDAELO C[N@@H+]1CC[C@@H](Nc2ccc([NH3+])cc2C(=O)[O-])C1 ZINC000042550149 173125351 /nfs/dbraw/zinc/12/53/51/173125351.db2.gz CWMQEAKOIMUFKI-SECBINFHSA-N 1 2 235.287 1.083 10 0 BDAELO C[N@H+]1CC[C@@H](Nc2ccc([NH3+])cc2C(=O)[O-])C1 ZINC000042550149 173125352 /nfs/dbraw/zinc/12/53/52/173125352.db2.gz CWMQEAKOIMUFKI-SECBINFHSA-N 1 2 235.287 1.083 10 0 BDAELO C[N@@H+]1CC[C@H](CNc2ccc([NH3+])cc2C(=O)[O-])C1 ZINC000037931143 173147718 /nfs/dbraw/zinc/14/77/18/173147718.db2.gz RREISMWBSXVZTI-SECBINFHSA-N 1 2 249.314 1.331 10 0 BDAELO C[N@H+]1CC[C@H](CNc2ccc([NH3+])cc2C(=O)[O-])C1 ZINC000037931143 173147721 /nfs/dbraw/zinc/14/77/21/173147721.db2.gz RREISMWBSXVZTI-SECBINFHSA-N 1 2 249.314 1.331 10 0 BDAELO C[N@@H+]1CCc2ncnc(NC3CC3)c2C1 ZINC000299565573 173175339 /nfs/dbraw/zinc/17/53/39/173175339.db2.gz FEOVLSBKUYBPAB-UHFFFAOYSA-N 1 2 204.277 1.039 10 0 BDAELO C[N@H+]1CCc2ncnc(NC3CC3)c2C1 ZINC000299565573 173175343 /nfs/dbraw/zinc/17/53/43/173175343.db2.gz FEOVLSBKUYBPAB-UHFFFAOYSA-N 1 2 204.277 1.039 10 0 BDAELO CNC(=O)C[NH2+][C@@H](C)c1nc(C)sc1C ZINC000037224671 173278120 /nfs/dbraw/zinc/27/81/20/173278120.db2.gz DJMBDRJNBJSOIJ-LURJTMIESA-N 1 2 227.333 1.157 10 0 BDAELO CNC(=O)[C@@H](C)NC1=[NH+]C2(CCCC2)CS1 ZINC000053047506 173295014 /nfs/dbraw/zinc/29/50/14/173295014.db2.gz HOFLQSIUQNUXIV-MRVPVSSYSA-N 1 2 241.360 1.126 10 0 BDAELO CNC(=O)[C@@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000042571657 173295726 /nfs/dbraw/zinc/29/57/26/173295726.db2.gz KVVNGYOPBLOYKZ-SECBINFHSA-N 1 2 229.283 1.781 10 0 BDAELO CNC(=O)[C@H](C)n1cc[nH+]c1-c1ccc(N)cc1 ZINC000037974259 173304379 /nfs/dbraw/zinc/30/43/79/173304379.db2.gz NCOWXRGTUOWGOG-VIFPVBQESA-N 1 2 244.298 1.439 10 0 BDAELO COCCCC[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000121653505 174190881 /nfs/dbraw/zinc/19/08/81/174190881.db2.gz HRCLAXQLKIPPEK-LLVKDONJSA-N 1 2 238.335 1.758 10 0 BDAELO COCCCC[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000121653505 174190883 /nfs/dbraw/zinc/19/08/83/174190883.db2.gz HRCLAXQLKIPPEK-LLVKDONJSA-N 1 2 238.335 1.758 10 0 BDAELO COCCCC[N@@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000121653505 174190886 /nfs/dbraw/zinc/19/08/86/174190886.db2.gz HRCLAXQLKIPPEK-LLVKDONJSA-N 1 2 238.335 1.758 10 0 BDAELO COCCCC[N@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000121653505 174190888 /nfs/dbraw/zinc/19/08/88/174190888.db2.gz HRCLAXQLKIPPEK-LLVKDONJSA-N 1 2 238.335 1.758 10 0 BDAELO COc1ccc(-c2[nH+]c(C)n(N)c2N)cc1 ZINC000052838450 175038764 /nfs/dbraw/zinc/03/87/64/175038764.db2.gz NQXOFRSKIMLWQZ-UHFFFAOYSA-N 1 2 218.260 1.163 10 0 BDAELO COc1ccc([NH2+]C[C@@H](C)C(N)=O)c(OC)c1 ZINC000037227144 175151944 /nfs/dbraw/zinc/15/19/44/175151944.db2.gz AVERKQAMBNCMRG-MRVPVSSYSA-N 1 2 238.287 1.237 10 0 BDAELO COc1cccc([C@@H]([NH3+])c2ncon2)c1 ZINC000036762057 175289122 /nfs/dbraw/zinc/28/91/22/175289122.db2.gz MCHPPWKZZQJQEP-SECBINFHSA-N 1 2 205.217 1.126 10 0 BDAELO COc1ccccc1[C@@H](O)C[NH+]1CCOCC1 ZINC000019784987 175347694 /nfs/dbraw/zinc/34/76/94/175347694.db2.gz JSCQDBJRIPHOLZ-LBPRGKRZSA-N 1 2 237.299 1.061 10 0 BDAELO C[C@@H](Cn1cc[nH+]c1)NC1N=NC(=S)S1 ZINC000049236120 175784185 /nfs/dbraw/zinc/78/41/85/175784185.db2.gz HKNSDZZJJGMJGL-LURJTMIESA-N 1 2 241.345 1.524 10 0 BDAELO C[C@@H](c1[nH+]ccn1C1CC1)S(=O)(=O)N(C)C ZINC000095088658 176039270 /nfs/dbraw/zinc/03/92/70/176039270.db2.gz MAGJNBVFJRBMMS-QMMMGPOBSA-N 1 2 243.332 1.170 10 0 BDAELO C[C@@H]1C[C@@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC000263900273 176406391 /nfs/dbraw/zinc/40/63/91/176406391.db2.gz ACSRXYDXQPWKOH-KCJUWKMLSA-N 1 2 218.304 1.285 10 0 BDAELO C[C@@H]1C[C@@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000263900273 176406392 /nfs/dbraw/zinc/40/63/92/176406392.db2.gz ACSRXYDXQPWKOH-KCJUWKMLSA-N 1 2 218.304 1.285 10 0 BDAELO C[C@H](CNc1cc[nH+]c(C2CC2)n1)[S@](C)=O ZINC000160242794 176687688 /nfs/dbraw/zinc/68/76/88/176687688.db2.gz DFSZHWIIQQRIAS-VPTHRUTESA-N 1 2 239.344 1.533 10 0 BDAELO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccccc1N ZINC000040637940 176732147 /nfs/dbraw/zinc/73/21/47/176732147.db2.gz DCLIGSUEQKSTRK-SNVBAGLBSA-N 1 2 244.298 1.284 10 0 BDAELO C[C@H](c1ccccc1)[C@H]([NH3+])c1nn[nH]n1 ZINC000041046534 177040656 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325504139 /nfs/dbraw/zinc/50/41/39/325504139.db2.gz RUVRKNVUHLCNCA-SNVBAGLBSA-N 1 2 244.360 1.862 10 0 BDAELO O[C@H]1CCC[C@@H](C[N@@H+]2CCn3ccnc3C2)C1 ZINC000310231841 488119029 /nfs/dbraw/zinc/11/90/29/488119029.db2.gz JUJUVDCNFSRNCA-NEPJUHHUSA-N 1 2 235.331 1.250 10 0 BDAELO O[C@H]1CCC[C@@H](C[N@H+]2CCn3ccnc3C2)C1 ZINC000310231841 488119031 /nfs/dbraw/zinc/11/90/31/488119031.db2.gz JUJUVDCNFSRNCA-NEPJUHHUSA-N 1 2 235.331 1.250 10 0 BDAELO CCc1[nH+]c2ccccc2n1CC(=O)OC ZINC000026438733 522502313 /nfs/dbraw/zinc/50/23/13/522502313.db2.gz ZUJPJXDNBACPEH-UHFFFAOYSA-N 1 2 218.256 1.772 10 0 BDAELO CCc1noc(C[N@@H+]2CCC[C@H](C(C)=O)C2)n1 ZINC000111690394 582861165 /nfs/dbraw/zinc/86/11/65/582861165.db2.gz PKLMQUVJVLFWRV-JTQLQIEISA-N 1 2 237.303 1.433 10 0 BDAELO CCc1noc(C[N@H+]2CCC[C@H](C(C)=O)C2)n1 ZINC000111690394 582861167 /nfs/dbraw/zinc/86/11/67/582861167.db2.gz PKLMQUVJVLFWRV-JTQLQIEISA-N 1 2 237.303 1.433 10 0 BDAELO Cc1ccc([C@@H]([NH3+])c2ncon2)cc1F ZINC000082503762 525768524 /nfs/dbraw/zinc/76/85/24/525768524.db2.gz HZQCUDUSYTVTHI-SECBINFHSA-N 1 2 207.208 1.565 10 0 BDAELO Cc1cn(Cc2cc[nH+]cc2C)nc1N ZINC000705292585 582954158 /nfs/dbraw/zinc/95/41/58/582954158.db2.gz KYQVNEHWYFZHNZ-UHFFFAOYSA-N 1 2 202.261 1.525 10 0 BDAELO CC[C@@H]([NH2+]C)c1ncc(Br)c(=O)[nH]1 ZINC000757122610 582497821 /nfs/dbraw/zinc/49/78/21/582497821.db2.gz RBDNUPVBQWQTKR-ZCFIWIBFSA-N 1 2 246.108 1.615 10 0 BDAELO C[C@@H]1CC[C@@H]([NH3+])[C@H](c2ccc(C(=O)[O-])cc2)[NH2+]1 ZINC000757234691 582563546 /nfs/dbraw/zinc/56/35/46/582563546.db2.gz LFDXVVLBVYUCSX-FXAINCCUSA-N 1 2 234.299 1.525 10 0 BDAELO C[C@@H]1CC[C@H]([NH3+])[C@H](c2ccc(C(=O)[O-])cc2)[NH2+]1 ZINC000757234694 582563842 /nfs/dbraw/zinc/56/38/42/582563842.db2.gz LFDXVVLBVYUCSX-ZHAHWJHGSA-N 1 2 234.299 1.525 10 0 BDAELO OCC(F)(F)C[NH2+]CCc1ccccc1 ZINC000221275804 592403498 /nfs/dbraw/zinc/40/34/98/592403498.db2.gz FAEZGALQXUJHCR-UHFFFAOYSA-N 1 2 215.243 1.446 10 0 BDAELO Nc1cnc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cn1 ZINC000300068596 592502440 /nfs/dbraw/zinc/50/24/40/592502440.db2.gz PFACYYSVVRJYHO-VXGBXAGGSA-N 1 2 248.330 1.202 10 0 BDAELO Nc1cnc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)cn1 ZINC000300068596 592502443 /nfs/dbraw/zinc/50/24/43/592502443.db2.gz PFACYYSVVRJYHO-VXGBXAGGSA-N 1 2 248.330 1.202 10 0 BDAELO Cn1ncc(Cl)c1C[NH2+]Cc1ccccn1 ZINC000130204645 642453697 /nfs/dbraw/zinc/45/36/97/642453697.db2.gz OHMRZYPEDOUSDD-UHFFFAOYSA-N 1 2 236.706 1.758 10 0 BDAELO CCCC[C@@H]([NH2+]C(C)(C)CO)C(=O)OC ZINC000232980551 642643126 /nfs/dbraw/zinc/64/31/26/642643126.db2.gz WGWWZBVMTNGXAK-SECBINFHSA-N 1 2 217.309 1.079 10 0 BDAELO O=C(N[C@@H]1CCC[C@@H]1n1cc[nH+]c1)c1ccco1 ZINC000070257106 643005463 /nfs/dbraw/zinc/00/54/63/643005463.db2.gz KOCNYAQMHNQWNY-MNOVXSKESA-N 1 2 245.282 2.000 10 0 BDAELO CC[C@@H](C)[C@@H]([NH2+]C1CC(OC)C1)C(=O)OC ZINC000233976240 643142565 /nfs/dbraw/zinc/14/25/65/643142565.db2.gz PUFQYPNLUGMHOD-AGVGLQIMSA-N 1 2 229.320 1.341 10 0 BDAELO Cc1[nH+]cn(-c2cncc(C=O)c2)c1C ZINC000135131861 645877505 /nfs/dbraw/zinc/87/75/05/645877505.db2.gz QCBAIKLMOOKIMZ-UHFFFAOYSA-N 1 2 201.229 1.697 10 0 BDAELO CC(=O)[C@@H]1CCC[N@@H+](CC(=O)c2cccn2C)C1 ZINC000707714849 712176772 /nfs/dbraw/zinc/17/67/72/712176772.db2.gz CGHRBNAISGKBHV-GFCCVEGCSA-N 1 2 248.326 1.509 10 0 BDAELO CC(=O)[C@@H]1CCC[N@H+](CC(=O)c2cccn2C)C1 ZINC000707714849 712176775 /nfs/dbraw/zinc/17/67/75/712176775.db2.gz CGHRBNAISGKBHV-GFCCVEGCSA-N 1 2 248.326 1.509 10 0 BDAELO CC[N@H+](Cc1[nH]c(C)[nH+]c1C)[C@@H](C)C(=O)[O-] ZINC000724787774 955211665 /nfs/dbraw/zinc/21/16/65/955211665.db2.gz IJMCCWKCUYUMQZ-QMMMGPOBSA-N 1 2 225.292 1.322 10 0 BDAELO CC[N@@H+](Cc1[nH]c(C)[nH+]c1C)[C@@H](C)C(=O)[O-] ZINC000724787774 955211676 /nfs/dbraw/zinc/21/16/76/955211676.db2.gz IJMCCWKCUYUMQZ-QMMMGPOBSA-N 1 2 225.292 1.322 10 0 BDAELO C[C@@H](C(=O)[O-])[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000382994557 951232955 /nfs/dbraw/zinc/23/29/55/951232955.db2.gz ZOCXTKUPPROITG-JTQLQIEISA-N 1 2 237.303 1.211 10 0 BDAELO C[C@@H](C(=O)[O-])[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000382994557 951232963 /nfs/dbraw/zinc/23/29/63/951232963.db2.gz ZOCXTKUPPROITG-JTQLQIEISA-N 1 2 237.303 1.211 10 0 BDAELO C[C@@H](C[NH2+]CCC(C)(C)C(=O)[O-])[NH+](C)C ZINC000395588150 972806456 /nfs/dbraw/zinc/80/64/56/972806456.db2.gz GMOQLZWMPNSMNU-VIFPVBQESA-N 1 2 216.325 1.027 10 0 BDAELO CCNCC(F)(F)C[N@@H+]1CCC[C@H]1C ZINC000685956323 538902053 /nfs/dbraw/zinc/90/20/53/538902053.db2.gz CFBWVVCMYZXWHT-SECBINFHSA-N 1 2 206.280 1.716 10 0 BDAELO CCNCC(F)(F)C[N@H+]1CCC[C@H]1C ZINC000685956323 538902054 /nfs/dbraw/zinc/90/20/54/538902054.db2.gz CFBWVVCMYZXWHT-SECBINFHSA-N 1 2 206.280 1.716 10 0 BDAELO C[NH2+]CC(F)(F)CN1CC[C@H](C)[C@H]1C ZINC000685957950 538905317 /nfs/dbraw/zinc/90/53/17/538905317.db2.gz MFCPVPHDWDXOPO-DTWKUNHWSA-N 1 2 206.280 1.571 10 0 BDAELO Nc1cn(Cc2cc(F)cc(F)c2)c[nH+]1 ZINC000685964210 538911050 /nfs/dbraw/zinc/91/10/50/538911050.db2.gz OLCURQYLCPRZRU-UHFFFAOYSA-N 1 2 209.199 1.792 10 0 BDAELO Cc1cc(C[NH2+]Cc2ccn[nH]2)c(C)n1C ZINC000052790438 178027806 /nfs/dbraw/zinc/02/78/06/178027806.db2.gz QVAGCOPHGAJSNR-UHFFFAOYSA-N 1 2 218.304 1.655 10 0 BDAELO Cc1cc(NC(=O)N[C@@H]2C[C@@H]2C)cc[nH+]1 ZINC000119387201 178142452 /nfs/dbraw/zinc/14/24/52/178142452.db2.gz QROCSWQVEOTMOU-OIBJUYFYSA-N 1 2 205.261 1.920 10 0 BDAELO Cc1cc(NCCC(=O)NC2CCCC2)nc[nH+]1 ZINC000301265442 178158066 /nfs/dbraw/zinc/15/80/66/178158066.db2.gz TXZDKGJYERBWOB-UHFFFAOYSA-N 1 2 248.330 1.646 10 0 BDAELO Cc1cc(NCCCCn2cnnc2)nc[nH+]1 ZINC000301453389 178159108 /nfs/dbraw/zinc/15/91/08/178159108.db2.gz GLNIJYFMSDTLJQ-UHFFFAOYSA-N 1 2 232.291 1.269 10 0 BDAELO CNc1cccc([C@@H]2C[N@H+](CCO)CCO2)c1 ZINC000616648155 398221404 /nfs/dbraw/zinc/22/14/04/398221404.db2.gz SUDMZNIETGZWGJ-ZDUSSCGKSA-N 1 2 236.315 1.094 10 0 BDAELO CNc1cccc([C@@H]2C[N@@H+](CCO)CCO2)c1 ZINC000616648155 398221405 /nfs/dbraw/zinc/22/14/05/398221405.db2.gz SUDMZNIETGZWGJ-ZDUSSCGKSA-N 1 2 236.315 1.094 10 0 BDAELO Cc1noc(CNc2cc(C)[nH+]cn2)n1 ZINC000040727356 178177436 /nfs/dbraw/zinc/17/74/36/178177436.db2.gz CIRXJELNXKXWOD-UHFFFAOYSA-N 1 2 205.221 1.089 10 0 BDAELO Cc1cc([C@H]([NH3+])c2ncon2)c(C)s1 ZINC000049687976 178262993 /nfs/dbraw/zinc/26/29/93/178262993.db2.gz SDZZHNZLUJRNFE-QMMMGPOBSA-N 1 2 209.274 1.796 10 0 BDAELO Cc1ccc(C(=O)C[NH+]2CCC(O)CC2)cc1C ZINC000050132227 178372953 /nfs/dbraw/zinc/37/29/53/178372953.db2.gz AFUOFFSYYFCVAC-UHFFFAOYSA-N 1 2 247.338 1.943 10 0 BDAELO C[C@@H](c1cccnc1)[NH+]1CCC(=O)CC1 ZINC000035692126 342755646 /nfs/dbraw/zinc/75/56/46/342755646.db2.gz DHIPWDFJMWHQRC-JTQLQIEISA-N 1 2 204.273 1.808 10 0 BDAELO CCOC(=[NH2+])Cn1c(C)ccc1C(=O)OCC ZINC000216453046 342823294 /nfs/dbraw/zinc/82/32/94/342823294.db2.gz SAHWJWBOUUFDTD-UHFFFAOYSA-N 1 2 238.287 1.987 10 0 BDAELO Cc1cccc(C[C@@H]2CSC[C@H]2O)[nH+]1 ZINC000134665703 342876449 /nfs/dbraw/zinc/87/64/49/342876449.db2.gz HPKMOKDFWRVIOH-MWLCHTKSSA-N 1 2 209.314 1.656 10 0 BDAELO CCc1c(C)[nH]n(-c2cc(N)cc[nH+]2)c1=O ZINC000584880262 343081016 /nfs/dbraw/zinc/08/10/16/343081016.db2.gz JZLLGUHKFAUGDD-VIFPVBQESA-N 1 2 218.260 1.413 10 0 BDAELO CC[C@H](C)NC(=O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000249515366 362102112 /nfs/dbraw/zinc/10/21/12/362102112.db2.gz CGSSXQUXMFUGLR-DCAQKATOSA-N 1 2 228.336 1.010 10 0 BDAELO CCn1c[nH+]c2c1cc(C(=O)OC)cc2N ZINC000039102149 343384441 /nfs/dbraw/zinc/38/44/41/343384441.db2.gz IXWOBMGTWQNNMN-UHFFFAOYSA-N 1 2 219.244 1.425 10 0 BDAELO CC(C)[C@H]1[NH+]=C(NC(C)(C)C)N(C)C1=O ZINC000039109139 343384920 /nfs/dbraw/zinc/38/49/20/343384920.db2.gz QVELQKKKGXJIDY-MRVPVSSYSA-N 1 2 211.309 1.227 10 0 BDAELO CC(C)[N@H+]1CC[C@@H]([NH3+])C12CC[NH+](C1CC1)CC2 ZINC000712057616 537784312 /nfs/dbraw/zinc/78/43/12/537784312.db2.gz DGLMUHSHIYHHNV-CYBMUJFWSA-N 1 2 237.391 1.425 10 0 BDAELO c1cc2c(s1)[C@H](c1csnn1)[NH2+]CC2 ZINC000712526802 537790047 /nfs/dbraw/zinc/79/00/47/537790047.db2.gz YAWLRCUHTCXECL-QMMMGPOBSA-N 1 2 223.326 1.835 10 0 BDAELO CCn1cc([C@@H]2[NH2+]CCc3sccc32)nn1 ZINC000714455546 537816963 /nfs/dbraw/zinc/81/69/63/537816963.db2.gz BCVUPGXDQIWBPN-LLVKDONJSA-N 1 2 234.328 1.595 10 0 BDAELO CC[NH2+][C@@H](c1noc(C)n1)c1cccnc1 ZINC000409438976 343846036 /nfs/dbraw/zinc/84/60/36/343846036.db2.gz FJJSCYKUHPUJKJ-SNVBAGLBSA-N 1 2 218.260 1.472 10 0 BDAELO c1cn(C[C@H]2Cc3ccccc3O2)c[nH+]1 ZINC000090877594 343943511 /nfs/dbraw/zinc/94/35/11/343943511.db2.gz JLHUZTRDXWGWMJ-LLVKDONJSA-N 1 2 200.241 1.887 10 0 BDAELO O[C@H]1CCC[C@@H](Nc2cc[nH+]cc2F)C1 ZINC000641299636 362350993 /nfs/dbraw/zinc/35/09/93/362350993.db2.gz VUBNXJIQHQHNGJ-BDAKNGLRSA-N 1 2 210.252 1.358 10 0 BDAELO CON(C)c1c(N)c[nH+]cc1Br ZINC000234730012 344231981 /nfs/dbraw/zinc/23/19/81/344231981.db2.gz CFPOOSPAILGYFK-UHFFFAOYSA-N 1 2 232.081 1.424 10 0 BDAELO CCOC(=O)[C@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000221539666 259374912 /nfs/dbraw/zinc/37/49/12/259374912.db2.gz GDBWLTTZUUOWSR-IUCAKERBSA-N 1 2 217.334 1.375 10 0 BDAELO CCOC(=O)[C@H](C)[N@H+]1CCS[C@@H](C)C1 ZINC000221539666 259374914 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Cc1cnc([C@@H](C)[NH2+]CC(=O)NCC2CC2)o1 ZINC000226434463 134362844 /nfs/dbraw/zinc/36/28/44/134362844.db2.gz APTNOHVOLYMXED-SECBINFHSA-N 1 2 237.303 1.160 10 0 BDAELO [NH3+][C@@H](c1cnn[nH]1)c1ccc(Cl)cc1 ZINC000087600039 383853098 /nfs/dbraw/zinc/85/30/98/383853098.db2.gz DHYXFVHEALAOBA-SECBINFHSA-N 1 2 208.652 1.506 10 0 BDAELO O=Cc1c(-n2cc[nH+]c2)nc2ccccn12 ZINC000035433372 383859682 /nfs/dbraw/zinc/85/96/82/383859682.db2.gz PSMHXKLEAGECNY-UHFFFAOYSA-N 1 2 212.212 1.333 10 0 BDAELO [NH3+][C@@H](c1ccc2[nH]ccc2n1)C(F)(F)CO ZINC000089221344 383948701 /nfs/dbraw/zinc/94/87/01/383948701.db2.gz MGABJUNPYZFVRP-VIFPVBQESA-N 1 2 227.214 1.190 10 0 BDAELO Cn1ccc(C[NH2+][C@@H]2COc3ccccc32)n1 ZINC000112838543 383953279 /nfs/dbraw/zinc/95/32/79/383953279.db2.gz GPSAJGMKNFYEEK-GFCCVEGCSA-N 1 2 229.283 1.643 10 0 BDAELO Cn1ccnc1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114482714 384039082 /nfs/dbraw/zinc/03/90/82/384039082.db2.gz JOZDQLLMYJKWON-LBPRGKRZSA-N 1 2 245.330 1.870 10 0 BDAELO Cn1ccnc1C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114482714 384039085 /nfs/dbraw/zinc/03/90/85/384039085.db2.gz JOZDQLLMYJKWON-LBPRGKRZSA-N 1 2 245.330 1.870 10 0 BDAELO Cn1cc[nH+]c1CN1CCCC[C@H]1c1cn[nH]c1 ZINC000114482714 384039090 /nfs/dbraw/zinc/03/90/90/384039090.db2.gz JOZDQLLMYJKWON-LBPRGKRZSA-N 1 2 245.330 1.870 10 0 BDAELO C[NH2+]N1CCO[C@H](c2ccccc2)[C@@H]1C ZINC000039105481 384105726 /nfs/dbraw/zinc/10/57/26/384105726.db2.gz DZZANFDZDUZJRY-JQWIXIFHSA-N 1 2 206.289 1.583 10 0 BDAELO COC[C@@H](F)[C@@H]([NH3+])C(=O)c1ccccc1 ZINC000039134969 384109106 /nfs/dbraw/zinc/10/91/06/384109106.db2.gz AQPXAKIJFVZFKU-NXEZZACHSA-N 1 2 211.236 1.181 10 0 BDAELO Cc1cc[nH+]cc1NCc1csnn1 ZINC000070958367 384144237 /nfs/dbraw/zinc/14/42/37/384144237.db2.gz FJUWOLLAIZLUTJ-UHFFFAOYSA-N 1 2 206.274 1.854 10 0 BDAELO CC(C)n1ncnc1C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401935900 384314604 /nfs/dbraw/zinc/31/46/04/384314604.db2.gz FGZPYDJMQTWHRV-GHMZBOCLSA-N 1 2 238.335 1.062 10 0 BDAELO CC(C)n1ncnc1C[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401935900 384314611 /nfs/dbraw/zinc/31/46/11/384314611.db2.gz FGZPYDJMQTWHRV-GHMZBOCLSA-N 1 2 238.335 1.062 10 0 BDAELO COC(=O)[C@H]1C[C@H](c2ccc(O)cc2)CC[NH2+]1 ZINC000079026308 384478849 /nfs/dbraw/zinc/47/88/49/384478849.db2.gz VPGZUBRMCOSCBK-ZYHUDNBSSA-N 1 2 235.283 1.401 10 0 BDAELO COC(=O)[C@H]1CC[C@H](c2cccc(F)c2)C[NH2+]1 ZINC000079026659 384479978 /nfs/dbraw/zinc/47/99/78/384479978.db2.gz NIJBPXNAHVAXOQ-CMPLNLGQSA-N 1 2 237.274 1.834 10 0 BDAELO CCCCCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000309819456 384640307 /nfs/dbraw/zinc/64/03/07/384640307.db2.gz DFHIJAMBJAPUOT-MRVPVSSYSA-N 1 2 220.263 1.290 10 0 BDAELO Nc1[nH+]cnc(NC[C@@H]2CCC[C@@H]2O)c1Cl ZINC000236392152 385117882 /nfs/dbraw/zinc/11/78/82/385117882.db2.gz ZTOASEQNQSAUBX-BQBZGAKWSA-N 1 2 242.710 1.285 10 0 BDAELO Nc1nc[nH+]c(NC[C@@H]2CCC[C@@H]2O)c1Cl ZINC000236392152 385117884 /nfs/dbraw/zinc/11/78/84/385117884.db2.gz ZTOASEQNQSAUBX-BQBZGAKWSA-N 1 2 242.710 1.285 10 0 BDAELO C[NH2+][C@H](c1cscn1)c1nccn1C ZINC000062361819 385138951 /nfs/dbraw/zinc/13/89/51/385138951.db2.gz BDZYAMPWGIKIOY-MRVPVSSYSA-N 1 2 208.290 1.185 10 0 BDAELO C[NH+](C)CC(=O)c1ccc2c(c1)OCO2 ZINC000005524857 385148836 /nfs/dbraw/zinc/14/88/36/385148836.db2.gz ZVEMAAGMJVUOMB-UHFFFAOYSA-N 1 2 207.229 1.160 10 0 BDAELO Cc1ccc(C[NH2+][C@H]2CCCn3ncnc32)o1 ZINC000176801833 385149641 /nfs/dbraw/zinc/14/96/41/385149641.db2.gz QEIQGPCHWSHVKV-NSHDSACASA-N 1 2 232.287 1.804 10 0 BDAELO c1nc2n(n1)C[C@H](Nc1cccc[nH+]1)CC2 ZINC000108948270 385248142 /nfs/dbraw/zinc/24/81/42/385248142.db2.gz ZZRUGNVCHVKLEV-SECBINFHSA-N 1 2 215.260 1.100 10 0 BDAELO Cn1cc([C@@H]2CCC[N@@H+]2Cc2cocn2)cn1 ZINC000191940678 385335107 /nfs/dbraw/zinc/33/51/07/385335107.db2.gz KIOIARAOMBMCLV-LBPRGKRZSA-N 1 2 232.287 1.745 10 0 BDAELO Cn1cc([C@@H]2CCC[N@H+]2Cc2cocn2)cn1 ZINC000191940678 385335110 /nfs/dbraw/zinc/33/51/10/385335110.db2.gz KIOIARAOMBMCLV-LBPRGKRZSA-N 1 2 232.287 1.745 10 0 BDAELO COC(=O)[C@H]([NH3+])[C@@H](C)Oc1ccccc1Cl ZINC000169726739 385419018 /nfs/dbraw/zinc/41/90/18/385419018.db2.gz XGCQEASCQUKHDJ-GMSGAONNSA-N 1 2 243.690 1.608 10 0 BDAELO COC(=O)[C@H]([NH3+])[C@H](C)Oc1ccccc1Cl ZINC000169726738 385419049 /nfs/dbraw/zinc/41/90/49/385419049.db2.gz XGCQEASCQUKHDJ-OIBJUYFYSA-N 1 2 243.690 1.608 10 0 BDAELO COC(=O)[C@H]1C[C@@H](Sc2ccccn2)C[NH2+]1 ZINC000169726888 385419957 /nfs/dbraw/zinc/41/99/57/385419957.db2.gz WPPHGKBEBAYQIT-RKDXNWHRSA-N 1 2 238.312 1.077 10 0 BDAELO C=Cn1cc(C[N@H+]2CCC[C@]2(C)C(=O)OC)cn1 ZINC000194758830 385447964 /nfs/dbraw/zinc/44/79/64/385447964.db2.gz IPDKVSCZNXTTON-CYBMUJFWSA-N 1 2 249.314 1.511 10 0 BDAELO C=Cn1cc(C[N@@H+]2CCC[C@]2(C)C(=O)OC)cn1 ZINC000194758830 385447967 /nfs/dbraw/zinc/44/79/67/385447967.db2.gz IPDKVSCZNXTTON-CYBMUJFWSA-N 1 2 249.314 1.511 10 0 BDAELO O=S(=O)(c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000259189246 385716039 /nfs/dbraw/zinc/71/60/39/385716039.db2.gz JGUQQASWJRYFBH-LLVKDONJSA-N 1 2 225.313 1.560 10 0 BDAELO Cc1cc(N2C[C@H](CO)CC[C@@H]2C)nc[nH+]1 ZINC000119376987 385669378 /nfs/dbraw/zinc/66/93/78/385669378.db2.gz XHLHTFCETBIWBE-WDEREUQCSA-N 1 2 221.304 1.382 10 0 BDAELO FCCN[C@@H](c1[nH]cc[nH+]1)c1ccccn1 ZINC000309657143 385777319 /nfs/dbraw/zinc/77/73/19/385777319.db2.gz WHQGBSGONGJUDF-SNVBAGLBSA-N 1 2 220.251 1.453 10 0 BDAELO Cc1n[nH]c(=N[C@H](C)CCCC[NH3+])s1 ZINC000336691188 385727026 /nfs/dbraw/zinc/72/70/26/385727026.db2.gz PKNMAWZTSBSICX-SSDOTTSWSA-N 1 2 214.338 1.198 10 0 BDAELO C[C@@H]([NH2+]Cc1nnsc1Cl)[C@H]1CCCO1 ZINC000309139299 385984032 /nfs/dbraw/zinc/98/40/32/385984032.db2.gz SRDDBCFMOXMLFX-HTRCEHHLSA-N 1 2 247.751 1.849 10 0 BDAELO CC[C@H]1C[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000234151616 386028695 /nfs/dbraw/zinc/02/86/95/386028695.db2.gz HVYCMWYUFNWIGN-WDSKDSINSA-N 1 2 212.684 1.923 10 0 BDAELO CC[C@H]1C[C@@H]1Nc1[nH+]cnc(N)c1Cl ZINC000234151616 386028700 /nfs/dbraw/zinc/02/87/00/386028700.db2.gz HVYCMWYUFNWIGN-WDSKDSINSA-N 1 2 212.684 1.923 10 0 BDAELO 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CC[C@@H](C)CN1CC[NH+](C[C@@H](O)CC)CC1 ZINC000121229874 387316483 /nfs/dbraw/zinc/31/64/83/387316483.db2.gz PMVDGIPPFVWYGM-OLZOCXBDSA-N 1 2 228.380 1.421 10 0 BDAELO CC(C)[C@H](C)NC(=O)C[NH+]1[C@@H](C)COC[C@@H]1C ZINC000120868229 387277674 /nfs/dbraw/zinc/27/76/74/387277674.db2.gz YMOWDULMEKQGSZ-SRVKXCTJSA-N 1 2 242.363 1.256 10 0 BDAELO CCCCC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114857777 387292014 /nfs/dbraw/zinc/29/20/14/387292014.db2.gz RDDHDTLONMRXJQ-LBPRGKRZSA-N 1 2 240.347 1.156 10 0 BDAELO CCCCC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114857777 387292022 /nfs/dbraw/zinc/29/20/22/387292022.db2.gz RDDHDTLONMRXJQ-LBPRGKRZSA-N 1 2 240.347 1.156 10 0 BDAELO CCC[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)OCC ZINC000127311765 387712029 /nfs/dbraw/zinc/71/20/29/387712029.db2.gz XIZZAHGFWBLPPV-SRVKXCTJSA-N 1 2 243.347 1.875 10 0 BDAELO COC(=O)[C@H](C)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195513345 387921348 /nfs/dbraw/zinc/92/13/48/387921348.db2.gz AVGGODBHQZNKRU-VIFPVBQESA-N 1 2 237.303 1.151 10 0 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/nfs/dbraw/zinc/30/38/58/173303858.db2.gz UJUGTUMASZFOSI-VIFPVBQESA-N 1 2 221.304 1.299 10 0 BDAELO CNC(=O)c1ccc(NCc2[nH]c[nH+]c2C)cc1 ZINC000054794953 173310855 /nfs/dbraw/zinc/31/08/55/173310855.db2.gz XHPLPBDVXYMEGX-UHFFFAOYSA-N 1 2 244.298 1.690 10 0 BDAELO C[NH2+]CC(=O)OCc1cc(F)ccc1OC ZINC000077340807 173334691 /nfs/dbraw/zinc/33/46/91/173334691.db2.gz NMDQSBBAYNJUJA-UHFFFAOYSA-N 1 2 227.235 1.097 10 0 BDAELO C[NH2+]CC(=O)OCCc1cc(C)ccc1C ZINC000077332292 173335242 /nfs/dbraw/zinc/33/52/42/173335242.db2.gz XTSNWARCXYKCHU-UHFFFAOYSA-N 1 2 221.300 1.609 10 0 BDAELO C[NH2+]CC(=O)OCCc1cc(C)c(C)cc1C ZINC000077371380 173335276 /nfs/dbraw/zinc/33/52/76/173335276.db2.gz XUBGVFCAOGTMAO-UHFFFAOYSA-N 1 2 235.327 1.917 10 0 BDAELO C[NH2+]Cc1noc(Cc2cccc(F)c2F)n1 ZINC000094714188 173399471 /nfs/dbraw/zinc/39/94/71/173399471.db2.gz PYULZPDSADOKFI-UHFFFAOYSA-N 1 2 239.225 1.658 10 0 BDAELO COC(=O)[C@](C)(CSCCCO)[NH2+]C(C)C ZINC000085164257 173831966 /nfs/dbraw/zinc/83/19/66/173831966.db2.gz SSJLCZFCGLRFQL-NSHDSACASA-N 1 2 249.376 1.032 10 0 BDAELO COc1ccc(-c2cc(N)cn[nH+]2)cc1 ZINC000091366488 175031298 /nfs/dbraw/zinc/03/12/98/175031298.db2.gz WFTHJGMQXLHYHF-UHFFFAOYSA-N 1 2 201.229 1.734 10 0 BDAELO COc1ccc(-n2cc[nH+]c2)cc1OC ZINC000083348279 175044021 /nfs/dbraw/zinc/04/40/21/175044021.db2.gz YBCBKOVMWKQQJB-UHFFFAOYSA-N 1 2 204.229 1.890 10 0 BDAELO COc1ccc(C=O)cc1C[N@@H+]1CCCOCC1 ZINC000061919964 175086277 /nfs/dbraw/zinc/08/62/77/175086277.db2.gz QCPVSPDIKASCOY-UHFFFAOYSA-N 1 2 249.310 1.730 10 0 BDAELO COc1ccc(C=O)cc1C[N@H+]1CCCOCC1 ZINC000061919964 175086278 /nfs/dbraw/zinc/08/62/78/175086278.db2.gz QCPVSPDIKASCOY-UHFFFAOYSA-N 1 2 249.310 1.730 10 0 BDAELO COc1ccc(C[NH+]2CCOCC2)cc1CO ZINC000035242444 175101580 /nfs/dbraw/zinc/10/15/80/175101580.db2.gz FVXLMUYRRASVGV-UHFFFAOYSA-N 1 2 237.299 1.020 10 0 BDAELO COc1ccc(NCc2c[nH+]c(C)[nH]2)cn1 ZINC000054797688 175151375 /nfs/dbraw/zinc/15/13/75/175151375.db2.gz BSSMKEKRBKJJGT-UHFFFAOYSA-N 1 2 218.260 1.734 10 0 BDAELO COc1ccc(NCc2c[nH]c(C)[nH+]2)cn1 ZINC000054797688 175151376 /nfs/dbraw/zinc/15/13/76/175151376.db2.gz BSSMKEKRBKJJGT-UHFFFAOYSA-N 1 2 218.260 1.734 10 0 BDAELO C[C@H]1CCC(=O)[C@H](C[N@H+](C)Cc2nccn2C)C1 ZINC000062321761 177068919 /nfs/dbraw/zinc/06/89/19/177068919.db2.gz CGFSGVHFRSVCNP-RYUDHWBXSA-N 1 2 249.358 1.857 10 0 BDAELO C[C@H]1CCC(=O)[C@H](C[N@@H+](C)Cc2nccn2C)C1 ZINC000062321761 177068920 /nfs/dbraw/zinc/06/89/20/177068920.db2.gz CGFSGVHFRSVCNP-RYUDHWBXSA-N 1 2 249.358 1.857 10 0 BDAELO C[C@H]1C[C@@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC000263900275 177350916 /nfs/dbraw/zinc/35/09/16/177350916.db2.gz ACSRXYDXQPWKOH-KWQFWETISA-N 1 2 218.304 1.285 10 0 BDAELO C[C@H]1C[C@@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000263900275 177350917 /nfs/dbraw/zinc/35/09/17/177350917.db2.gz ACSRXYDXQPWKOH-KWQFWETISA-N 1 2 218.304 1.285 10 0 BDAELO COc1ccc[nH+]c1N1CC[C@@H](CCO)C1 ZINC000159747885 323046795 /nfs/dbraw/zinc/04/67/95/323046795.db2.gz FDWLQAYJCGZEJU-JTQLQIEISA-N 1 2 222.288 1.299 10 0 BDAELO CCn1cc[nH+]c1C[S@](=O)[C@H]1CCO[C@H]1C ZINC000245551887 325513639 /nfs/dbraw/zinc/51/36/39/325513639.db2.gz PJKDWFFWGLZTKH-PUTJDCORSA-N 1 2 242.344 1.329 10 0 BDAELO CCc1[nH+]c(C)cn1-c1cccnc1C=O ZINC000757164078 582546189 /nfs/dbraw/zinc/54/61/89/582546189.db2.gz UIPWSRZMLSOSBQ-UHFFFAOYSA-N 1 2 215.256 1.951 10 0 BDAELO COC(=[NH2+])Cc1cccc(C(=O)OC)c1 ZINC000095757676 522736288 /nfs/dbraw/zinc/73/62/88/522736288.db2.gz KNPGBBRXRXBKBI-UHFFFAOYSA-N 1 2 207.229 1.639 10 0 BDAELO CC(C)(C)OC(=O)N1C[C@H]2C=C([NH3+])C[C@@H]2C1 ZINC000306265872 526427257 /nfs/dbraw/zinc/42/72/57/526427257.db2.gz FQNLIKBCVNXITL-RKDXNWHRSA-N 1 2 224.304 1.716 10 0 BDAELO CCOC(=O)C(F)(F)C[N@H+](C)C(C)C ZINC000685956796 537944867 /nfs/dbraw/zinc/94/48/67/537944867.db2.gz GEJXJNAGIACEAM-UHFFFAOYSA-N 1 2 209.236 1.525 10 0 BDAELO CCOC(=O)C(F)(F)C[N@@H+](C)C(C)C ZINC000685956796 537944870 /nfs/dbraw/zinc/94/48/70/537944870.db2.gz GEJXJNAGIACEAM-UHFFFAOYSA-N 1 2 209.236 1.525 10 0 BDAELO CC[C@@H](CO)[NH2+]c1ccc2c(c1)CCN2C ZINC000757128014 582503593 /nfs/dbraw/zinc/50/35/93/582503593.db2.gz IOFDXTIHYXPHHI-NSHDSACASA-N 1 2 220.316 1.862 10 0 BDAELO [NH3+][C@@H](Cc1cn(C2CCCCC2)c[nH+]1)C(=O)[O-] ZINC000757131238 582505724 /nfs/dbraw/zinc/50/57/24/582505724.db2.gz FYMLHSNJEHUUFT-NSHDSACASA-N 1 2 237.303 1.343 10 0 BDAELO [NH3+][C@H](Cc1cn(C2CCCCC2)c[nH+]1)C(=O)[O-] ZINC000757131234 582506045 /nfs/dbraw/zinc/50/60/45/582506045.db2.gz FYMLHSNJEHUUFT-LLVKDONJSA-N 1 2 237.303 1.343 10 0 BDAELO COc1cc([C@H]2[NH2+]CCc3ccoc32)sn1 ZINC000701339990 582916357 /nfs/dbraw/zinc/91/63/57/582916357.db2.gz XLVQJDNHRPKTKF-SNVBAGLBSA-N 1 2 236.296 1.980 10 0 BDAELO C[C@@H](O)c1ccc(N2CC[C@@H](CCO)C2)[nH+]c1 ZINC000123680876 589769460 /nfs/dbraw/zinc/76/94/60/589769460.db2.gz WUXQLJWOWNMVOS-MNOVXSKESA-N 1 2 236.315 1.344 10 0 BDAELO Cc1cc(C[N@@H+]2CCO[C@H](CO)C2)c(C)o1 ZINC000128404954 591032295 /nfs/dbraw/zinc/03/22/95/591032295.db2.gz UGFNGWRGZRORKD-LBPRGKRZSA-N 1 2 225.288 1.090 10 0 BDAELO Cc1cc(C[N@H+]2CCO[C@H](CO)C2)c(C)o1 ZINC000128404954 591032301 /nfs/dbraw/zinc/03/23/01/591032301.db2.gz UGFNGWRGZRORKD-LBPRGKRZSA-N 1 2 225.288 1.090 10 0 BDAELO CC(C)(C)OC(=O)[C@H]([NH3+])Cc1nccs1 ZINC000136852721 592151511 /nfs/dbraw/zinc/15/15/11/592151511.db2.gz ZVHUFJTYAZESMV-SSDOTTSWSA-N 1 2 228.317 1.355 10 0 BDAELO CCC[NH2+][C@@](C)(CCn1cc[nH+]c1)C(=O)[O-] ZINC000045432280 640556688 /nfs/dbraw/zinc/55/66/88/640556688.db2.gz IHNLSFUGPXYIOE-NSHDSACASA-N 1 2 225.292 1.116 10 0 BDAELO CCC[C@H]([NH2+]C1CC(OC)C1)C(=O)OCC ZINC000230696494 641084387 /nfs/dbraw/zinc/08/43/87/641084387.db2.gz XDDGADXTHHVMGV-ILDUYXDCSA-N 1 2 229.320 1.485 10 0 BDAELO Cl/C=C\CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000255153394 643520870 /nfs/dbraw/zinc/52/08/70/643520870.db2.gz BLWWVCBHCOBXLC-NNRVYMOVSA-N 1 2 230.739 1.145 10 0 BDAELO CC(C)n1nccc1C[NH2+][C@@H](C)c1cn(C)nn1 ZINC000720590894 712855822 /nfs/dbraw/zinc/85/58/22/712855822.db2.gz MECYFXZOBNXLQX-JTQLQIEISA-N 1 2 248.334 1.443 10 0 BDAELO C[C@@H]([NH2+][C@H]1CCCc2n[nH]cc21)c1cn(C)nn1 ZINC000720601130 712857463 /nfs/dbraw/zinc/85/74/63/712857463.db2.gz HEUAYDDUJKRAPN-SCZZXKLOSA-N 1 2 246.318 1.266 10 0 BDAELO CC[N@H+](CC[NH2+]CCC(C)(C)C(=O)[O-])C1CC1 ZINC000395601076 972810179 /nfs/dbraw/zinc/81/01/79/972810179.db2.gz BZEQLYQMSFUSAZ-UHFFFAOYSA-N 1 2 242.363 1.561 10 0 BDAELO CC[N@@H+](CC[NH2+]CCC(C)(C)C(=O)[O-])C1CC1 ZINC000395601076 972810189 /nfs/dbraw/zinc/81/01/89/972810189.db2.gz BZEQLYQMSFUSAZ-UHFFFAOYSA-N 1 2 242.363 1.561 10 0 BDAELO CCNCC(F)(F)C[N@H+](C)[C@@H](C)CC ZINC000685956745 538903970 /nfs/dbraw/zinc/90/39/70/538903970.db2.gz INLNCNYLLICSHT-VIFPVBQESA-N 1 2 208.296 1.962 10 0 BDAELO CCNCC(F)(F)C[N@@H+](C)[C@@H](C)CC ZINC000685956745 538903971 /nfs/dbraw/zinc/90/39/71/538903971.db2.gz INLNCNYLLICSHT-VIFPVBQESA-N 1 2 208.296 1.962 10 0 BDAELO CCC[C@@H](C(=O)OCC)n1c[nH+]c(N)c1 ZINC000685964149 538911231 /nfs/dbraw/zinc/91/12/31/538911231.db2.gz BJUYAZCQHVQJSI-QMMMGPOBSA-N 1 2 211.265 1.370 10 0 BDAELO C[NH+](C)c1ccc(N2CCC(=O)C2)cc1 ZINC000036335622 343979028 /nfs/dbraw/zinc/97/90/28/343979028.db2.gz CNKZFPNNVLDFIB-UHFFFAOYSA-N 1 2 204.273 1.532 10 0 BDAELO CCc1nnc(C[N@@H+]2CCC[C@@H](O)[C@@H]2C)s1 ZINC000649951033 398195167 /nfs/dbraw/zinc/19/51/67/398195167.db2.gz DMEJTDGHATUVHC-DTWKUNHWSA-N 1 2 241.360 1.446 10 0 BDAELO CCc1nnc(C[N@H+]2CCC[C@@H](O)[C@@H]2C)s1 ZINC000649951033 398195170 /nfs/dbraw/zinc/19/51/70/398195170.db2.gz DMEJTDGHATUVHC-DTWKUNHWSA-N 1 2 241.360 1.446 10 0 BDAELO Cc1cc([NH3+])ccc1N1CCCOCC1 ZINC000061916863 178105792 /nfs/dbraw/zinc/10/57/92/178105792.db2.gz IAYYQTWBOKSWLL-UHFFFAOYSA-N 1 2 206.289 1.804 10 0 BDAELO Cc1cc([NH3+])ccc1NCc1nncn1C ZINC000050416977 178106941 /nfs/dbraw/zinc/10/69/41/178106941.db2.gz DPOGUJADGMCRPI-UHFFFAOYSA-N 1 2 217.276 1.318 10 0 BDAELO Cc1cc(NCCSCC(C)(C)O)nc[nH+]1 ZINC000301312733 178160902 /nfs/dbraw/zinc/16/09/02/178160902.db2.gz JFAOSKUKVCEDGC-UHFFFAOYSA-N 1 2 241.360 1.701 10 0 BDAELO Cc1cc(NCCOCC(C)C)nc[nH+]1 ZINC000123137273 178161122 /nfs/dbraw/zinc/16/11/22/178161122.db2.gz KUOKOAPFRDEMGY-UHFFFAOYSA-N 1 2 209.293 1.870 10 0 BDAELO Cc1cc([NH2+]CCn2cccn2)ccc1N ZINC000042539322 178163163 /nfs/dbraw/zinc/16/31/63/178163163.db2.gz CEWCAVNSQJOGDG-UHFFFAOYSA-N 1 2 216.288 1.886 10 0 BDAELO CCC[C@@H](C)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000381623539 398267260 /nfs/dbraw/zinc/26/72/60/398267260.db2.gz GKRLLFFZTSKUIO-SFYZADRCSA-N 1 2 220.263 1.288 10 0 BDAELO CCC(CC)N(CCO)c1ccc(CO)c[nH+]1 ZINC000042513013 168373591 /nfs/dbraw/zinc/37/35/91/168373591.db2.gz KPOZJXSESHCBKE-UHFFFAOYSA-N 1 2 238.331 1.561 10 0 BDAELO [NH3+]CC[N@@H+]1CC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000616613027 349603881 /nfs/dbraw/zinc/60/38/81/349603881.db2.gz WEKPYYZXYONEDP-LBPRGKRZSA-N 1 2 234.299 1.133 10 0 BDAELO [NH3+]CC[N@H+]1CC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000616613027 349603884 /nfs/dbraw/zinc/60/38/84/349603884.db2.gz WEKPYYZXYONEDP-LBPRGKRZSA-N 1 2 234.299 1.133 10 0 BDAELO Cc1nnsc1[C@H]1[NH2+]CCCS1 ZINC000306644518 361835568 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/nfs/dbraw/zinc/95/78/08/342957808.db2.gz GJQRCDBLMSXPGA-LBPRGKRZSA-N 1 2 216.284 1.024 10 0 BDAELO CCOC(=O)[C@]1(CC)N[C@H](C)Cc2[nH+]c[nH]c21 ZINC000584883815 343086824 /nfs/dbraw/zinc/08/68/24/343086824.db2.gz NIVDVOSGOXTSMP-PRHODGIISA-N 1 2 237.303 1.112 10 0 BDAELO CCc1cc(N[C@@H]2CCC[C@H](O)C2)nc[nH+]1 ZINC000309952663 343108391 /nfs/dbraw/zinc/10/83/91/343108391.db2.gz GXCYULDYISEMNJ-MNOVXSKESA-N 1 2 221.304 1.754 10 0 BDAELO COc1ccc(N)cc1C[NH+]1CCN(C)CC1 ZINC000036722215 343143522 /nfs/dbraw/zinc/14/35/22/343143522.db2.gz QYXXEMDMKGKVIR-UHFFFAOYSA-N 1 2 235.331 1.025 10 0 BDAELO C[N@H+]1Cc2ccc(Br)cc2[C@H](O)C1 ZINC000146849501 343318287 /nfs/dbraw/zinc/31/82/87/343318287.db2.gz ZVQAYNZGEFWZMW-SNVBAGLBSA-N 1 2 242.116 1.928 10 0 BDAELO C[N@@H+]1Cc2ccc(Br)cc2[C@H](O)C1 ZINC000146849501 343318288 /nfs/dbraw/zinc/31/82/88/343318288.db2.gz ZVQAYNZGEFWZMW-SNVBAGLBSA-N 1 2 242.116 1.928 10 0 BDAELO COC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC000013356631 362178356 /nfs/dbraw/zinc/17/83/56/362178356.db2.gz OQIROTKHGDSIDP-LBPRGKRZSA-N 1 2 207.273 1.636 10 0 BDAELO COC(=O)[C@@H]([NH3+])Cc1ccc(Cl)s1 ZINC000044327368 343497906 /nfs/dbraw/zinc/49/79/06/343497906.db2.gz LKKAFJDCSBQQEE-LURJTMIESA-N 1 2 219.693 1.444 10 0 BDAELO c1cc2c(o1)[C@H](c1cnsc1)[NH2+]CC2 ZINC000712925095 537796404 /nfs/dbraw/zinc/79/64/04/537796404.db2.gz RBWULTHYTLJLKU-VIFPVBQESA-N 1 2 206.270 1.971 10 0 BDAELO C[NH2+][C@@H](c1cnsn1)C1=CCCCO1 ZINC000167768363 346967980 /nfs/dbraw/zinc/96/79/80/346967980.db2.gz DMYHIBMHMVNPOW-VIFPVBQESA-N 1 2 211.290 1.493 10 0 BDAELO C[NH2+][C@H](c1cnsn1)C1=CCCCO1 ZINC000167768465 346968070 /nfs/dbraw/zinc/96/80/70/346968070.db2.gz DMYHIBMHMVNPOW-SECBINFHSA-N 1 2 211.290 1.493 10 0 BDAELO Clc1nccnc1NCCc1c[nH]c[nH+]1 ZINC000229305333 343793513 /nfs/dbraw/zinc/79/35/13/343793513.db2.gz XSXLJCBFRRFNPO-UHFFFAOYSA-N 1 2 223.667 1.508 10 0 BDAELO Clc1nccnc1NCCc1c[nH+]c[nH]1 ZINC000229305333 343793515 /nfs/dbraw/zinc/79/35/15/343793515.db2.gz XSXLJCBFRRFNPO-UHFFFAOYSA-N 1 2 223.667 1.508 10 0 BDAELO [NH3+][C@H](c1nc(C2CC2)no1)c1cccnc1 ZINC000409442021 343856745 /nfs/dbraw/zinc/85/67/45/343856745.db2.gz SIBAEIHCQJTKGR-VIFPVBQESA-N 1 2 216.244 1.390 10 0 BDAELO COC(=[NH2+])Cn1ccc(-c2ccccn2)n1 ZINC000409438278 343850402 /nfs/dbraw/zinc/85/04/02/343850402.db2.gz CCPJTHWZEYHALX-UHFFFAOYSA-N 1 2 216.244 1.569 10 0 BDAELO c1cn(C[C@@H]2Cc3ccccc3O2)c[nH+]1 ZINC000090877595 343943682 /nfs/dbraw/zinc/94/36/82/343943682.db2.gz JLHUZTRDXWGWMJ-NSHDSACASA-N 1 2 200.241 1.887 10 0 BDAELO Cn1cc[nH+]c1CNc1nsnc1Cl ZINC000070855142 343956964 /nfs/dbraw/zinc/95/69/64/343956964.db2.gz JRCQBVTUCWXCAU-UHFFFAOYSA-N 1 2 229.696 1.537 10 0 BDAELO Cc1ccc(N2CCCC3(C2)OCCO3)[nH+]c1 ZINC000135283033 344151683 /nfs/dbraw/zinc/15/16/83/344151683.db2.gz KFLXVIVKLZFKNA-UHFFFAOYSA-N 1 2 234.299 1.733 10 0 BDAELO Cn1ccnc1[C@H]([NH3+])c1ccoc1Cl ZINC000236071718 344294062 /nfs/dbraw/zinc/29/40/62/344294062.db2.gz RPBJWZOCOSBVCR-SSDOTTSWSA-N 1 2 211.652 1.715 10 0 BDAELO CCc1cc(NCCCC(=O)OC)nc[nH+]1 ZINC000259441672 344649722 /nfs/dbraw/zinc/64/97/22/344649722.db2.gz PBPRSBRZJIMJEU-UHFFFAOYSA-N 1 2 223.276 1.404 10 0 BDAELO c1nsnc1[C@H]1[NH2+]CCc2ccccc21 ZINC000033570035 344852384 /nfs/dbraw/zinc/85/23/84/344852384.db2.gz SPIJTQZVYIIMHW-NSHDSACASA-N 1 2 217.297 1.773 10 0 BDAELO COC(=O)[C@H]([NH3+])Cc1cc(Cl)ccc1O ZINC000044326853 345022807 /nfs/dbraw/zinc/02/28/07/345022807.db2.gz NLWGRUXIANARBR-MRVPVSSYSA-N 1 2 229.663 1.088 10 0 BDAELO C[NH+](C)Cc1nc2c(c(Cl)n1)CSC2 ZINC000134649724 345417743 /nfs/dbraw/zinc/41/77/43/345417743.db2.gz NPKSLHTTZMRPCE-UHFFFAOYSA-N 1 2 229.736 1.938 10 0 BDAELO Clc1cc(NCCc2c[nH]c[nH+]2)ncn1 ZINC000229304708 345494576 /nfs/dbraw/zinc/49/45/76/345494576.db2.gz DNFYGWXABYBZDH-UHFFFAOYSA-N 1 2 223.667 1.508 10 0 BDAELO Clc1cc(NCCc2c[nH+]c[nH]2)ncn1 ZINC000229304708 345494577 /nfs/dbraw/zinc/49/45/77/345494577.db2.gz DNFYGWXABYBZDH-UHFFFAOYSA-N 1 2 223.667 1.508 10 0 BDAELO [NH3+][C@H]1COc2c(F)cccc2C1(F)F ZINC000137476180 345637639 /nfs/dbraw/zinc/63/76/39/345637639.db2.gz USSYQAXHKRWDRO-ZETCQYMHSA-N 1 2 203.163 1.637 10 0 BDAELO C[C@@H]1CCC[N@H+](CC(F)(F)CN)[C@@H]1C ZINC000306165369 537908807 /nfs/dbraw/zinc/90/88/07/537908807.db2.gz ANXLVQXNCQFXFL-RKDXNWHRSA-N 1 2 206.280 1.701 10 0 BDAELO C[C@@H]1CCC[N@@H+](CC(F)(F)CN)[C@@H]1C ZINC000306165369 537908812 /nfs/dbraw/zinc/90/88/12/537908812.db2.gz ANXLVQXNCQFXFL-RKDXNWHRSA-N 1 2 206.280 1.701 10 0 BDAELO C[C@@H]1C[C@@H](C)C[NH+](CC(F)(F)CN)C1 ZINC000306221423 537912586 /nfs/dbraw/zinc/91/25/86/537912586.db2.gz UCVJXPMJBIYNSS-RKDXNWHRSA-N 1 2 206.280 1.558 10 0 BDAELO Cn1c2ccccc2[nH+]c1CC[C@@H]1CO1 ZINC000148382730 346078715 /nfs/dbraw/zinc/07/87/15/346078715.db2.gz NGRSDHCQCBYVLW-SECBINFHSA-N 1 2 202.257 1.905 10 0 BDAELO Clc1nsnc1N1CCn2cc[nH+]c2C1 ZINC000062328930 346240578 /nfs/dbraw/zinc/24/05/78/346240578.db2.gz PUQDTGMVXIPMBV-UHFFFAOYSA-N 1 2 241.707 1.408 10 0 BDAELO CCC[N@H+](CC)Cc1nn(C)cc1C=O ZINC000675054823 537977702 /nfs/dbraw/zinc/97/77/02/537977702.db2.gz UQTFLGFJKLFYRP-UHFFFAOYSA-N 1 2 209.293 1.465 10 0 BDAELO CCC[N@@H+](CC)Cc1nn(C)cc1C=O ZINC000675054823 537977711 /nfs/dbraw/zinc/97/77/11/537977711.db2.gz UQTFLGFJKLFYRP-UHFFFAOYSA-N 1 2 209.293 1.465 10 0 BDAELO Cc1cccc(C[NH2+]Cc2ccncn2)n1 ZINC000054789908 179095691 /nfs/dbraw/zinc/09/56/91/179095691.db2.gz VWRLXLWUOHJJRQ-UHFFFAOYSA-N 1 2 214.272 1.470 10 0 BDAELO Cc1noc(C[NH2+]Cc2cccc(C)c2)n1 ZINC000037999644 179096162 /nfs/dbraw/zinc/09/61/62/179096162.db2.gz PKSVENKWPCTWTO-UHFFFAOYSA-N 1 2 217.272 1.976 10 0 BDAELO Cc1ccc(N[C@@H](C)C[S@@](C)=O)[nH+]c1 ZINC000164211008 346596238 /nfs/dbraw/zinc/59/62/38/346596238.db2.gz WPTCWSMURCDGQI-XPTSAGLGSA-N 1 2 212.318 1.569 10 0 BDAELO Nc1nc(-n2cnc3ccccc32)cc[nH+]1 ZINC000087839471 362797387 /nfs/dbraw/zinc/79/73/87/362797387.db2.gz ZZHMELDDHAYUMU-UHFFFAOYSA-N 1 2 211.228 1.398 10 0 BDAELO CCC[C@@H]1[NH2+]C[C@H](C)S(=O)(=O)[C@H]1CC ZINC000251150387 362839890 /nfs/dbraw/zinc/83/98/90/362839890.db2.gz MWNBQXXAUZOQOW-GUBZILKMSA-N 1 2 219.350 1.340 10 0 BDAELO Cc1ccccc1C(=O)C[N@@H+]1CCC[C@H](O)C1 ZINC000050152754 179246076 /nfs/dbraw/zinc/24/60/76/179246076.db2.gz DNCYAAVUIMLIFC-LBPRGKRZSA-N 1 2 233.311 1.634 10 0 BDAELO Cc1ccccc1C(=O)C[N@H+]1CCC[C@H](O)C1 ZINC000050152754 179246077 /nfs/dbraw/zinc/24/60/77/179246077.db2.gz DNCYAAVUIMLIFC-LBPRGKRZSA-N 1 2 233.311 1.634 10 0 BDAELO Nc1ccc(S[C@@H]2CCOC2=O)c[nH+]1 ZINC000037192607 348052718 /nfs/dbraw/zinc/05/27/18/348052718.db2.gz HKAOMICORDVLFM-SSDOTTSWSA-N 1 2 210.258 1.071 10 0 BDAELO Cc1nnc(C[NH2+]Cc2ncccc2C)n1C ZINC000071343909 179381570 /nfs/dbraw/zinc/38/15/70/179381570.db2.gz HJYSSXLBLSQVDZ-UHFFFAOYSA-N 1 2 231.303 1.117 10 0 BDAELO Cc1cc[nH+]c(N)c1C(=O)OC(C)(C)C ZINC000205333759 348491945 /nfs/dbraw/zinc/49/19/45/348491945.db2.gz NUBVSGXAOOFLFM-UHFFFAOYSA-N 1 2 208.261 1.928 10 0 BDAELO Cc1nn(C)c(Cl)c1Cn1c[nH+]c(N)c1 ZINC000725247216 538010990 /nfs/dbraw/zinc/01/09/90/538010990.db2.gz CCBFBAFOJFWJNN-UHFFFAOYSA-N 1 2 225.683 1.209 10 0 BDAELO Nc1cn(CCSC(F)(F)F)c[nH+]1 ZINC000725248684 538017764 /nfs/dbraw/zinc/01/77/64/538017764.db2.gz IXWFKVOESRICQD-UHFFFAOYSA-N 1 2 211.212 1.718 10 0 BDAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC1CC1)C2 ZINC000220607593 490226690 /nfs/dbraw/zinc/22/66/90/490226690.db2.gz GEKVGOGCELFTLP-QMMMGPOBSA-N 1 2 219.288 1.102 10 0 BDAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NC1CC1)CC2 ZINC000220607593 490226695 /nfs/dbraw/zinc/22/66/95/490226695.db2.gz GEKVGOGCELFTLP-QMMMGPOBSA-N 1 2 219.288 1.102 10 0 BDAELO CC(=O)N1CCc2ccccc2[C@H]1c1c[nH+]c[nH]1 ZINC000616583300 349307686 /nfs/dbraw/zinc/30/76/86/349307686.db2.gz BUBVZPOHBYXSDG-AWEZNQCLSA-N 1 2 241.294 1.904 10 0 BDAELO CC(=O)N1CCc2ccccc2[C@H]1c1c[nH]c[nH+]1 ZINC000616583300 349307691 /nfs/dbraw/zinc/30/76/91/349307691.db2.gz BUBVZPOHBYXSDG-AWEZNQCLSA-N 1 2 241.294 1.904 10 0 BDAELO c1cc([C@H]2[NH2+]CCc3ccccc32)no1 ZINC000616587149 349421638 /nfs/dbraw/zinc/42/16/38/349421638.db2.gz VXDMOGZUHQAXPV-LBPRGKRZSA-N 1 2 200.241 1.910 10 0 BDAELO Cc1nn(C)cc1[C@H]1[NH2+]C[C@@H](C)CS1 ZINC000128692299 350034610 /nfs/dbraw/zinc/03/46/10/350034610.db2.gz DVPUWVIQVSYSMQ-XCBNKYQSSA-N 1 2 211.334 1.700 10 0 BDAELO Cc1nc([C@H]([NH3+])c2ccc(F)c(F)c2)no1 ZINC000036762279 180053425 /nfs/dbraw/zinc/05/34/25/180053425.db2.gz ZANJMJAIODFAPI-SECBINFHSA-N 1 2 225.198 1.704 10 0 BDAELO Cc1[nH]c(CNOCc2ccccc2)c[nH+]1 ZINC000082974518 180155105 /nfs/dbraw/zinc/15/51/05/180155105.db2.gz SHWUUDVHPMLRNS-UHFFFAOYSA-N 1 2 217.272 1.940 10 0 BDAELO Cc1[nH]cc(CNOCc2ccccc2)[nH+]1 ZINC000082974518 180155109 /nfs/dbraw/zinc/15/51/09/180155109.db2.gz SHWUUDVHPMLRNS-UHFFFAOYSA-N 1 2 217.272 1.940 10 0 BDAELO C[C@@H]1C[N@@H+]([C@@H]2CCCCCC2=O)CCO1 ZINC000037660928 350283210 /nfs/dbraw/zinc/28/32/10/350283210.db2.gz PKZVHHJBRSRILC-GHMZBOCLSA-N 1 2 211.305 1.609 10 0 BDAELO C[C@@H]1C[N@H+]([C@@H]2CCCCCC2=O)CCO1 ZINC000037660928 350283213 /nfs/dbraw/zinc/28/32/13/350283213.db2.gz PKZVHHJBRSRILC-GHMZBOCLSA-N 1 2 211.305 1.609 10 0 BDAELO Cc1[nH+]cn(-c2cc3c(cc2N)CC(=O)N3)c1C ZINC000051925437 180285454 /nfs/dbraw/zinc/28/54/54/180285454.db2.gz YLDYQTATAWUIKS-UHFFFAOYSA-N 1 2 242.282 1.566 10 0 BDAELO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cc[nH]n1 ZINC000020350026 180382863 /nfs/dbraw/zinc/38/28/63/180382863.db2.gz JEKXVSJUXXOULT-QMMMGPOBSA-N 1 2 219.292 1.302 10 0 BDAELO CCOC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000616606366 350797189 /nfs/dbraw/zinc/79/71/89/350797189.db2.gz DAFCEBIHPJWCRG-MRVPVSSYSA-N 1 2 209.249 1.703 10 0 BDAELO COC(=O)N1CCC[C@@H]1c1ccc[nH+]c1N ZINC000616606430 350797547 /nfs/dbraw/zinc/79/75/47/350797547.db2.gz GLQQFVDCPIMKIW-SECBINFHSA-N 1 2 221.260 1.567 10 0 BDAELO [NH3+]CC[N@@H+]1CCC[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000616607029 350799418 /nfs/dbraw/zinc/79/94/18/350799418.db2.gz CHBQCQUNLMEGIP-LBPRGKRZSA-N 1 2 234.299 1.480 10 0 BDAELO [NH3+]CC[N@H+]1CCC[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000616607029 350799421 /nfs/dbraw/zinc/79/94/21/350799421.db2.gz CHBQCQUNLMEGIP-LBPRGKRZSA-N 1 2 234.299 1.480 10 0 BDAELO C[NH+](C)CC(=O)c1cc(F)ncc1F ZINC000306677351 350831107 /nfs/dbraw/zinc/83/11/07/350831107.db2.gz YPKMHGVZGSKDDQ-UHFFFAOYSA-N 1 2 200.188 1.104 10 0 BDAELO COc1nc([C@H]([NH3+])c2cncs2)cs1 ZINC000306713628 350875006 /nfs/dbraw/zinc/87/50/06/350875006.db2.gz VTNWVJDIDPYHGM-ZETCQYMHSA-N 1 2 227.314 1.656 10 0 BDAELO C[C@H]1CS[C@H](c2c(Cl)cnn2C)[NH2+]1 ZINC000306754867 350968082 /nfs/dbraw/zinc/96/80/82/350968082.db2.gz QAPKJTWXMVXBLD-YLWLKBPMSA-N 1 2 217.725 1.797 10 0 BDAELO CO[C@H]1CCCC[C@H]1[N@@H+]1CCCC(=O)C1 ZINC000306771595 351008618 /nfs/dbraw/zinc/00/86/18/351008618.db2.gz CRDJFKNXXPSTNM-NEPJUHHUSA-N 1 2 211.305 1.609 10 0 BDAELO CO[C@H]1CCCC[C@H]1[N@H+]1CCCC(=O)C1 ZINC000306771595 351008622 /nfs/dbraw/zinc/00/86/22/351008622.db2.gz CRDJFKNXXPSTNM-NEPJUHHUSA-N 1 2 211.305 1.609 10 0 BDAELO CO[C@@H]1CCCC[C@@H]1[N@@H+]1CCCC(=O)C1 ZINC000306771596 351008923 /nfs/dbraw/zinc/00/89/23/351008923.db2.gz CRDJFKNXXPSTNM-NWDGAFQWSA-N 1 2 211.305 1.609 10 0 BDAELO 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CC[NH2+][C@@](C)(C[N@@H+](C)CC1CCCC1)C(=O)[O-] ZINC000104358269 170154905 /nfs/dbraw/zinc/15/49/05/170154905.db2.gz MPGGLHVVEUBVHD-ZDUSSCGKSA-N 1 2 242.363 1.561 10 0 BDAELO CC[NH2+][C@H](C(N)=O)c1c(F)cccc1F ZINC000037869597 170156407 /nfs/dbraw/zinc/15/64/07/170156407.db2.gz JMIGKJBZVDRVDB-VIFPVBQESA-N 1 2 214.215 1.101 10 0 BDAELO CC[NH2+][C@H](c1ccco1)c1nccn1C ZINC000037184579 170164874 /nfs/dbraw/zinc/16/48/74/170164874.db2.gz XFZBRTHHUQYWNO-SNVBAGLBSA-N 1 2 205.261 1.712 10 0 BDAELO CCOC(=O)C[NH2+]CCCc1ccccc1 ZINC000036467562 170225575 /nfs/dbraw/zinc/22/55/75/170225575.db2.gz FZQGLIFOFGFRCX-UHFFFAOYSA-N 1 2 221.300 1.772 10 0 BDAELO CCOC(=O)[C@@]1([NH3+])CCCc2ccccc21 ZINC000033746733 170263117 /nfs/dbraw/zinc/26/31/17/170263117.db2.gz CBMMHKTVGSBBKK-CYBMUJFWSA-N 1 2 219.284 1.740 10 0 BDAELO CCOC(=O)[C@H]([NH3+])c1cc(C)ccc1C ZINC000049670795 170276135 /nfs/dbraw/zinc/27/61/35/170276135.db2.gz ODYJZNFPVBISTA-LLVKDONJSA-N 1 2 207.273 1.866 10 0 BDAELO CCOC(=O)[C@H]([NH3+])c1cc(F)ccc1F ZINC000033708027 170276643 /nfs/dbraw/zinc/27/66/43/170276643.db2.gz KLGBFKQSVSOBIC-SECBINFHSA-N 1 2 215.199 1.528 10 0 BDAELO CCOC(=O)[C@]1([NH2+]C)CCCSC1 ZINC000061590499 170285679 /nfs/dbraw/zinc/28/56/79/170285679.db2.gz ZUYPWNJMOSKWQQ-VIFPVBQESA-N 1 2 203.307 1.035 10 0 BDAELO CCOC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000089201685 170300837 /nfs/dbraw/zinc/30/08/37/170300837.db2.gz FXTGUFPAVGQQSQ-UHFFFAOYSA-N 1 2 204.229 1.819 10 0 BDAELO CCOC(=O)N1CCC[C@H]1c1ccc(N)[nH+]c1 ZINC000616607635 411863427 /nfs/dbraw/zinc/86/34/27/411863427.db2.gz WDQJGKZFFSABHK-JTQLQIEISA-N 1 2 235.287 1.957 10 0 BDAELO CC[C@H](C)CN1CC[NH+](C[C@@H](O)CC)CC1 ZINC000121230011 171280686 /nfs/dbraw/zinc/28/06/86/171280686.db2.gz PMVDGIPPFVWYGM-STQMWFEESA-N 1 2 228.380 1.421 10 0 BDAELO CC(C)(F)CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000662663190 412262837 /nfs/dbraw/zinc/26/28/37/412262837.db2.gz MCRZGPPVCLSLDM-ZETCQYMHSA-N 1 2 238.253 1.238 10 0 BDAELO CCc1nc([C@H]([NH3+])c2cccc(F)c2)no1 ZINC000036762787 172007029 /nfs/dbraw/zinc/00/70/29/172007029.db2.gz FLXQEYGLMIGITD-SNVBAGLBSA-N 1 2 221.235 1.819 10 0 BDAELO CCc1nc([C@H]([NH3+])c2ccc(F)c(F)c2)no1 ZINC000036762751 172007648 /nfs/dbraw/zinc/00/76/48/172007648.db2.gz XLTXEVZTUWASHZ-SNVBAGLBSA-N 1 2 239.225 1.958 10 0 BDAELO CCc1nc([C@]2(NC)CC[N@H+](C)C2)sc1C ZINC000061991820 172008974 /nfs/dbraw/zinc/00/89/74/172008974.db2.gz VQRYBWUGPLHHER-LBPRGKRZSA-N 1 2 239.388 1.764 10 0 BDAELO CCc1[nH+]c2ccccc2n1C[C@@H]([NH2+]C)C(=O)[O-] ZINC000062808044 172013216 /nfs/dbraw/zinc/01/32/16/172013216.db2.gz CCQZNBNJLDYVBH-SNVBAGLBSA-N 1 2 247.298 1.271 10 0 BDAELO CCn1c(C)[nH+]cc1-c1ccnc(N)n1 ZINC000039100894 172131416 /nfs/dbraw/zinc/13/14/16/172131416.db2.gz SBIUSNLOEPXBRG-UHFFFAOYSA-N 1 2 203.249 1.251 10 0 BDAELO CCn1cccc1C(=O)Nc1ccc(N)[nH+]c1 ZINC000061680211 172203522 /nfs/dbraw/zinc/20/35/22/172203522.db2.gz RHRANBFLEYJCRQ-UHFFFAOYSA-N 1 2 230.271 1.738 10 0 BDAELO CCn1ccnc1CNc1ccc[nH+]c1N(C)C ZINC000051922323 172225829 /nfs/dbraw/zinc/22/58/29/172225829.db2.gz LDYPHQUPBBWSFK-UHFFFAOYSA-N 1 2 245.330 1.976 10 0 BDAELO CCn1cc[nH+]c1[C@@H](C)S(=O)(=O)NC1CC1 ZINC000095091270 172229960 /nfs/dbraw/zinc/22/99/60/172229960.db2.gz GUEKYXHJHBOCGM-MRVPVSSYSA-N 1 2 243.332 1.046 10 0 BDAELO CCn1ccnc1[C@H]([NH3+])c1ccc(C)o1 ZINC000041048470 172230178 /nfs/dbraw/zinc/23/01/78/172230178.db2.gz ILJWKOOQHMAKIJ-SNVBAGLBSA-N 1 2 205.261 1.853 10 0 BDAELO CN(C)C(=O)CNc1cn[nH+]c2ccccc12 ZINC000104111173 172371106 /nfs/dbraw/zinc/37/11/06/172371106.db2.gz VHTHNVKHPQUADX-UHFFFAOYSA-N 1 2 230.271 1.130 10 0 BDAELO CN(C)C(=O)c1ccccc1NCc1c[nH+]c[nH]1 ZINC000054764859 172391897 /nfs/dbraw/zinc/39/18/97/172391897.db2.gz SJZPFEQDDJSFDB-UHFFFAOYSA-N 1 2 244.298 1.724 10 0 BDAELO CN(C)C(=O)c1ccccc1NCc1c[nH]c[nH+]1 ZINC000054764859 172391901 /nfs/dbraw/zinc/39/19/01/172391901.db2.gz SJZPFEQDDJSFDB-UHFFFAOYSA-N 1 2 244.298 1.724 10 0 BDAELO C[N@@H+]1CCc2n[nH]c(-c3ccncc3)c2C1 ZINC000082807612 173166712 /nfs/dbraw/zinc/16/67/12/173166712.db2.gz ZSIFRTFOZMWQCX-UHFFFAOYSA-N 1 2 214.272 1.460 10 0 BDAELO C[N@H+]1CCc2n[nH]c(-c3ccncc3)c2C1 ZINC000082807612 173166713 /nfs/dbraw/zinc/16/67/13/173166713.db2.gz ZSIFRTFOZMWQCX-UHFFFAOYSA-N 1 2 214.272 1.460 10 0 BDAELO CNC(=O)C[N@H+]1CC=C(c2ccccc2F)CC1 ZINC000127603936 173272977 /nfs/dbraw/zinc/27/29/77/173272977.db2.gz HEAALFCNZFZLJU-UHFFFAOYSA-N 1 2 248.301 1.661 10 0 BDAELO CNC(=O)C[N@@H+]1CC=C(c2ccccc2F)CC1 ZINC000127603936 173272978 /nfs/dbraw/zinc/27/29/78/173272978.db2.gz HEAALFCNZFZLJU-UHFFFAOYSA-N 1 2 248.301 1.661 10 0 BDAELO CNC(=O)[C@H](C)n1cc[nH+]c1-c1cccc(N)c1 ZINC000037557085 173304213 /nfs/dbraw/zinc/30/42/13/173304213.db2.gz HPDLDXJJBREAEZ-VIFPVBQESA-N 1 2 244.298 1.439 10 0 BDAELO CNC(=O)c1cccc(NCc2c[nH+]c(C)[nH]2)c1 ZINC000054798319 173311588 /nfs/dbraw/zinc/31/15/88/173311588.db2.gz VMMGJQLUVOJZPQ-UHFFFAOYSA-N 1 2 244.298 1.690 10 0 BDAELO CNC(=O)c1cccc(NCc2c[nH]c(C)[nH+]2)c1 ZINC000054798319 173311589 /nfs/dbraw/zinc/31/15/89/173311589.db2.gz VMMGJQLUVOJZPQ-UHFFFAOYSA-N 1 2 244.298 1.690 10 0 BDAELO C[NH2+]CC(=O)OCc1ccc(OC)c(Cl)c1 ZINC000077394678 173334899 /nfs/dbraw/zinc/33/48/99/173334899.db2.gz LYYKFUWVWSWSLW-UHFFFAOYSA-N 1 2 243.690 1.611 10 0 BDAELO C[NH2+]CC(=O)OCCc1cc(F)ccc1F ZINC000077343056 173335145 /nfs/dbraw/zinc/33/51/45/173335145.db2.gz JACXTWJYYDIYON-UHFFFAOYSA-N 1 2 229.226 1.270 10 0 BDAELO C[NH2+]CC(=O)O[C@H]1CCCc2ccccc21 ZINC000048638253 173335369 /nfs/dbraw/zinc/33/53/69/173335369.db2.gz GDSILINXHQLPQA-LBPRGKRZSA-N 1 2 219.284 1.827 10 0 BDAELO C[NH2+]C[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000049328865 173379141 /nfs/dbraw/zinc/37/91/41/173379141.db2.gz QTMQGLHERVDOEL-CYBMUJFWSA-N 1 2 236.363 1.205 10 0 BDAELO COC(=O)[C@H](C)Nc1ccc2[nH+]cccc2c1N ZINC000049352323 173787824 /nfs/dbraw/zinc/78/78/24/173787824.db2.gz FISCVCDCKIZRJT-QMMMGPOBSA-N 1 2 245.282 1.790 10 0 BDAELO COc1ccc(C)cc1[C@@H](O)Cn1cc[nH+]c1 ZINC000041258796 175080176 /nfs/dbraw/zinc/08/01/76/175080176.db2.gz NQIIXULRAIZPCI-LBPRGKRZSA-N 1 2 232.283 1.934 10 0 BDAELO COc1ccc(OC)c([C@H]([NH3+])c2ncon2)c1 ZINC000036762091 175168926 /nfs/dbraw/zinc/16/89/26/175168926.db2.gz RWCGXKKDHUAYNK-JTQLQIEISA-N 1 2 235.243 1.135 10 0 BDAELO COc1ccc(OCC[NH+]2CCC(=O)CC2)cc1 ZINC000032104399 175172960 /nfs/dbraw/zinc/17/29/60/175172960.db2.gz QJNHUAISMROHJM-UHFFFAOYSA-N 1 2 249.310 1.739 10 0 BDAELO C[C@@H](Sc1ccc(N)[nH+]c1)C(=O)NC1CC1 ZINC000037192540 176009587 /nfs/dbraw/zinc/00/95/87/176009587.db2.gz GEMURPOERWVGGC-SSDOTTSWSA-N 1 2 237.328 1.423 10 0 BDAELO C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@@H](C)O1 ZINC000041363426 176283414 /nfs/dbraw/zinc/28/34/14/176283414.db2.gz FGLQGOJMFFNADA-VXGBXAGGSA-N 1 2 240.347 1.108 10 0 BDAELO C[C@H](O)[C@H]([NH3+])c1nc(C2CCCCC2)no1 ZINC000022150290 177013721 /nfs/dbraw/zinc/01/37/21/177013721.db2.gz YGQURLUNRDTQRY-CBAPKCEASA-N 1 2 225.292 1.498 10 0 BDAELO C[C@H](c1ccc(N)cc1)[NH+]1CCS(=O)CC1 ZINC000049691323 177035566 /nfs/dbraw/zinc/03/55/66/177035566.db2.gz SOKYJNKKQHIEFB-SNVBAGLBSA-N 1 2 238.356 1.394 10 0 BDAELO C[C@H]1C[C@@H]1Nc1cc(C(N)=S)cc[nH+]1 ZINC000052292514 177350581 /nfs/dbraw/zinc/35/05/81/177350581.db2.gz PSVDWJQIIGKYQP-XPUUQOCRSA-N 1 2 207.302 1.536 10 0 BDAELO C[C@]1(C(=O)[O-])CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000079490317 487650494 /nfs/dbraw/zinc/65/04/94/487650494.db2.gz RTGQPILIAHORSO-GFCCVEGCSA-N 1 2 237.303 1.212 10 0 BDAELO C[C@]1(C(=O)[O-])CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000079490317 487650505 /nfs/dbraw/zinc/65/05/05/487650505.db2.gz RTGQPILIAHORSO-GFCCVEGCSA-N 1 2 237.303 1.212 10 0 BDAELO Cc1ccc(F)cc1C[N@@H+]1CCOC[C@@H]1CO ZINC000097855173 487705369 /nfs/dbraw/zinc/70/53/69/487705369.db2.gz RJTLKRPYLMCWJG-ZDUSSCGKSA-N 1 2 239.290 1.327 10 0 BDAELO Cc1ccc(F)cc1C[N@H+]1CCOC[C@@H]1CO ZINC000097855173 487705379 /nfs/dbraw/zinc/70/53/79/487705379.db2.gz RJTLKRPYLMCWJG-ZDUSSCGKSA-N 1 2 239.290 1.327 10 0 BDAELO CCCCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000220579760 490616942 /nfs/dbraw/zinc/61/69/42/490616942.db2.gz SHLLTRUKHIPWAT-SNVBAGLBSA-N 1 2 235.331 1.739 10 0 BDAELO CCCCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000220579760 490616945 /nfs/dbraw/zinc/61/69/45/490616945.db2.gz SHLLTRUKHIPWAT-SNVBAGLBSA-N 1 2 235.331 1.739 10 0 BDAELO Cc1[nH+]cn(-c2cccnc2C=O)c1C ZINC000757164086 582545965 /nfs/dbraw/zinc/54/59/65/582545965.db2.gz URGFJWIWTJWUHI-UHFFFAOYSA-N 1 2 201.229 1.697 10 0 BDAELO COC(=O)[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000095532589 523653803 /nfs/dbraw/zinc/65/38/03/523653803.db2.gz IZDORJYDRDJQAE-SNVBAGLBSA-N 1 2 211.236 1.601 10 0 BDAELO CCc1ccc(N2CC[NH2+]CC2=O)cc1 ZINC000016944306 536184678 /nfs/dbraw/zinc/18/46/78/536184678.db2.gz ASNHXXYJGSODEE-UHFFFAOYSA-N 1 2 204.273 1.185 10 0 BDAELO COCc1cc(N)nc(N2CCCCC2)[nH+]1 ZINC000051697424 536723547 /nfs/dbraw/zinc/72/35/47/536723547.db2.gz ZFXQPVRUKTUQBX-UHFFFAOYSA-N 1 2 222.292 1.196 10 0 BDAELO c1coc([C@@H]2CCO[C@@]3(CCCOC3)[NH2+]2)c1 ZINC000757150224 582533747 /nfs/dbraw/zinc/53/37/47/582533747.db2.gz PGWJGIZJENXXAG-CMPLNLGQSA-N 1 2 223.272 1.837 10 0 BDAELO CCc1nnc(C[N@@H+]2CCC[C@H](C(C)=O)C2)o1 ZINC000111690014 582817858 /nfs/dbraw/zinc/81/78/58/582817858.db2.gz NMHQNCBMWHXCOD-JTQLQIEISA-N 1 2 237.303 1.433 10 0 BDAELO CCc1nnc(C[N@H+]2CCC[C@H](C(C)=O)C2)o1 ZINC000111690014 582817859 /nfs/dbraw/zinc/81/78/59/582817859.db2.gz NMHQNCBMWHXCOD-JTQLQIEISA-N 1 2 237.303 1.433 10 0 BDAELO Cc1cccc(CCn2ccc(N)n2)[nH+]1 ZINC000399657430 583194667 /nfs/dbraw/zinc/19/46/67/583194667.db2.gz DXCWHMFJKKGANW-UHFFFAOYSA-N 1 2 202.261 1.242 10 0 BDAELO COCCc1nc2[nH]ccc2c(NC2CC2)[nH+]1 ZINC000757564680 586461265 /nfs/dbraw/zinc/46/12/65/586461265.db2.gz FGUDIFLREVHKAT-UHFFFAOYSA-N 1 2 232.287 1.721 10 0 BDAELO CCCc1nc2[nH]ccc2c(N(C)C)[nH+]1 ZINC000757564068 586461296 /nfs/dbraw/zinc/46/12/96/586461296.db2.gz BDOZDVLMEAMVRY-UHFFFAOYSA-N 1 2 204.277 1.976 10 0 BDAELO CNc1[nH+]c(CC2CC2)nc2[nH]ccc21 ZINC000757565693 586461463 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169100630 /nfs/dbraw/zinc/10/06/30/169100630.db2.gz QGAOBEHVJDVYCM-UHFFFAOYSA-N 1 2 236.315 1.654 10 0 BDAELO CCC[N@@H+](CC(=O)OC)Cc1ccccc1N ZINC000035365180 169100632 /nfs/dbraw/zinc/10/06/32/169100632.db2.gz QGAOBEHVJDVYCM-UHFFFAOYSA-N 1 2 236.315 1.654 10 0 BDAELO Oc1ccc(OCCn2cc[nH+]c2)cc1 ZINC000034962350 183277530 /nfs/dbraw/zinc/27/75/30/183277530.db2.gz QNZJCINSASAQMW-UHFFFAOYSA-N 1 2 204.229 1.668 10 0 BDAELO Oc1ccc([C@H](O)Cn2cc[nH+]c2)cc1 ZINC000027847355 183277835 /nfs/dbraw/zinc/27/78/35/183277835.db2.gz YUGKGJUVLVOHGK-LLVKDONJSA-N 1 2 204.229 1.322 10 0 BDAELO Oc1ccc([C@H]2COCC[NH2+]2)c(Cl)c1 ZINC000082966742 183278083 /nfs/dbraw/zinc/27/80/83/183278083.db2.gz HHERMMUTCBOARW-SNVBAGLBSA-N 1 2 213.664 1.707 10 0 BDAELO c1cc2[nH]c([C@@H]3CCCC[NH2+]3)nc2cn1 ZINC000070801306 183364021 /nfs/dbraw/zinc/36/40/21/183364021.db2.gz FXLAKNBXEKIFKF-VIFPVBQESA-N 1 2 202.261 1.773 10 0 BDAELO c1cc2nc([C@@H]3CCCC[NH2+]3)[nH]c2cn1 ZINC000070801306 183364023 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132328715 /nfs/dbraw/zinc/32/87/15/132328715.db2.gz RKCKRFZXYOGZJV-UHFFFAOYSA-N 1 2 247.342 1.548 10 0 BDAELO C[NH+]1CCN(c2cccc(F)c2C=O)CC1 ZINC000038846831 132346412 /nfs/dbraw/zinc/34/64/12/132346412.db2.gz JGHMLZKNTBZPQC-UHFFFAOYSA-N 1 2 222.263 1.390 10 0 BDAELO Cc1cc(N)ccc1[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000058951535 132368636 /nfs/dbraw/zinc/36/86/36/132368636.db2.gz BIGSVXSZYLYVQA-WDEREUQCSA-N 1 2 247.342 1.667 10 0 BDAELO Cc1cc(N)ccc1[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000058951535 132368637 /nfs/dbraw/zinc/36/86/37/132368637.db2.gz BIGSVXSZYLYVQA-WDEREUQCSA-N 1 2 247.342 1.667 10 0 BDAELO Cn1ncnc1C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000177188053 134296418 /nfs/dbraw/zinc/29/64/18/134296418.db2.gz ZDBKKIGIWAEQSO-SNVBAGLBSA-N 1 2 232.287 1.745 10 0 BDAELO Cn1ncnc1C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000177188053 134296419 /nfs/dbraw/zinc/29/64/19/134296419.db2.gz ZDBKKIGIWAEQSO-SNVBAGLBSA-N 1 2 232.287 1.745 10 0 BDAELO CC(C)c1nc([C@@H]2CCC[N@@H+]2CCO)no1 ZINC000177697537 134301371 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233.311 1.867 10 0 BDAELO CCC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000098210256 168252096 /nfs/dbraw/zinc/25/20/96/168252096.db2.gz YCLHDDDXRIURSR-AWEZNQCLSA-N 1 2 233.311 1.867 10 0 BDAELO CCC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000098210257 168254049 /nfs/dbraw/zinc/25/40/49/168254049.db2.gz YCLHDDDXRIURSR-CQSZACIVSA-N 1 2 233.311 1.867 10 0 BDAELO CCC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000098210257 168254051 /nfs/dbraw/zinc/25/40/51/168254051.db2.gz YCLHDDDXRIURSR-CQSZACIVSA-N 1 2 233.311 1.867 10 0 BDAELO OCC[N@@H+]1CCc2ccccc2[C@H]1c1ccon1 ZINC000616678144 411414057 /nfs/dbraw/zinc/41/40/57/411414057.db2.gz DOJNXKCIKQXXTP-AWEZNQCLSA-N 1 2 244.294 1.614 10 0 BDAELO OCC[N@H+]1CCc2ccccc2[C@H]1c1ccon1 ZINC000616678144 411414058 /nfs/dbraw/zinc/41/40/58/411414058.db2.gz DOJNXKCIKQXXTP-AWEZNQCLSA-N 1 2 244.294 1.614 10 0 BDAELO CC[N@@H+]1C[C@@H](C)[C@H](NCc2snnc2C)C1 ZINC000309678419 170031846 /nfs/dbraw/zinc/03/18/46/170031846.db2.gz YSJNCSVZDDLPOO-PSASIEDQSA-N 1 2 240.376 1.276 10 0 BDAELO CC[N@H+]1C[C@@H](C)[C@H](NCc2snnc2C)C1 ZINC000309678419 170031847 /nfs/dbraw/zinc/03/18/47/170031847.db2.gz YSJNCSVZDDLPOO-PSASIEDQSA-N 1 2 240.376 1.276 10 0 BDAELO CCNS(=O)(=O)[C@H](C)c1[nH+]ccn1C(C)C ZINC000095091583 170136163 /nfs/dbraw/zinc/13/61/63/170136163.db2.gz LVSUHVIPCXJXOP-SECBINFHSA-N 1 2 245.348 1.464 10 0 BDAELO CC[NH2+][C@@H](c1cscn1)c1nccn1C ZINC000062361822 170150110 /nfs/dbraw/zinc/15/01/10/170150110.db2.gz FTSSZHBXPLOWFW-VIFPVBQESA-N 1 2 222.317 1.576 10 0 BDAELO CCNc1cc(C[N@@H+]2CCOC[C@H]2C)ccn1 ZINC000052720632 170172510 /nfs/dbraw/zinc/17/25/10/170172510.db2.gz IEQSUPQPWQIJTN-LLVKDONJSA-N 1 2 235.331 1.734 10 0 BDAELO CCNc1cc(C[N@H+]2CCOC[C@H]2C)ccn1 ZINC000052720632 170172511 /nfs/dbraw/zinc/17/25/11/170172511.db2.gz IEQSUPQPWQIJTN-LLVKDONJSA-N 1 2 235.331 1.734 10 0 BDAELO CCOC(=[NH2+])CNC(=O)OC(C)(C)C ZINC000039091367 170180062 /nfs/dbraw/zinc/18/00/62/170180062.db2.gz ZVQPQXZOQRYKMV-UHFFFAOYSA-N 1 2 202.254 1.525 10 0 BDAELO 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CCOC(=O)[C@](C)([NH2+]C[C@H]1CCCO1)C1CC1 ZINC000037957527 170283767 /nfs/dbraw/zinc/28/37/67/170283767.db2.gz UDKKWXGGEPKLML-DGCLKSJQSA-N 1 2 241.331 1.487 10 0 BDAELO CCOC(=O)c1[nH+]c(C)n([C@H]2C[C@@H]2C)c1N ZINC000052299083 170306972 /nfs/dbraw/zinc/30/69/72/170306972.db2.gz VLWBNUYYSBEUNF-XPUUQOCRSA-N 1 2 223.276 1.531 10 0 BDAELO CCOC(=O)c1n[nH]c([C@H]([NH3+])CC(C)C)n1 ZINC000085443456 170308185 /nfs/dbraw/zinc/30/81/85/170308185.db2.gz NEGRNXARMXLAPK-SSDOTTSWSA-N 1 2 226.280 1.027 10 0 BDAELO CCOC1=[NH+]CCN1Cc1ccccc1 ZINC000039099274 170320732 /nfs/dbraw/zinc/32/07/32/170320732.db2.gz ITZXUIOJUNKBBV-UHFFFAOYSA-N 1 2 204.273 1.895 10 0 BDAELO CC[N@@H+]1CCO[C@@H](c2ccnc(N)c2)C1 ZINC000616645483 411858997 /nfs/dbraw/zinc/85/89/97/411858997.db2.gz QPEOWCLYNNAZDH-SNVBAGLBSA-N 1 2 207.277 1.057 10 0 BDAELO CC[N@H+]1CCO[C@@H](c2ccnc(N)c2)C1 ZINC000616645483 411859002 /nfs/dbraw/zinc/85/90/02/411859002.db2.gz QPEOWCLYNNAZDH-SNVBAGLBSA-N 1 2 207.277 1.057 10 0 BDAELO CCN1CCO[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616645483 411859006 /nfs/dbraw/zinc/85/90/06/411859006.db2.gz QPEOWCLYNNAZDH-SNVBAGLBSA-N 1 2 207.277 1.057 10 0 BDAELO CCOC(=O)N1CCC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616617188 411862097 /nfs/dbraw/zinc/86/20/97/411862097.db2.gz MMBMJBJBDWCBGV-LLVKDONJSA-N 1 2 249.314 2.000 10 0 BDAELO COC(=O)N1CCC[C@@H]1c1ccc(N)[nH+]c1 ZINC000616606302 411909726 /nfs/dbraw/zinc/90/97/26/411909726.db2.gz AWMHMNPNINOREE-SECBINFHSA-N 1 2 221.260 1.567 10 0 BDAELO CC[C@H](C)[NH2+]c1cc2c(cc1N)OCC(=O)N2 ZINC000035452772 171349888 /nfs/dbraw/zinc/34/98/88/171349888.db2.gz YPFADBSITKKBCS-ZETCQYMHSA-N 1 2 235.287 1.810 10 0 BDAELO CCc1nc([C@H]([NH3+])c2ccsc2)no1 ZINC000036762778 172007888 /nfs/dbraw/zinc/00/78/88/172007888.db2.gz OPGUXTQSXREWDD-MRVPVSSYSA-N 1 2 209.274 1.742 10 0 BDAELO CCn1cc(NCc2[nH]cc[nH+]2)ccc1=O ZINC000049715527 172186287 /nfs/dbraw/zinc/18/62/87/172186287.db2.gz YJAOJWSFIVRABW-UHFFFAOYSA-N 1 2 218.260 1.203 10 0 BDAELO C[NH+](C)C(C)(C)c1nc2cccc(C(N)=O)c2[nH]1 ZINC000040936336 172398352 /nfs/dbraw/zinc/39/83/52/172398352.db2.gz VEJUKQSFQCPCBW-UHFFFAOYSA-N 1 2 246.314 1.459 10 0 BDAELO CN(C)c1ccc([C@](O)(C[NH3+])C(F)(F)F)cc1 ZINC000062784246 172561872 /nfs/dbraw/zinc/56/18/72/172561872.db2.gz GKJYESJFSWNLQQ-SNVBAGLBSA-N 1 2 248.248 1.461 10 0 BDAELO CNC(=O)[C@@H](C)n1cc[nH+]c1-c1ccc(N)cc1 ZINC000037974260 173296004 /nfs/dbraw/zinc/29/60/04/173296004.db2.gz NCOWXRGTUOWGOG-SECBINFHSA-N 1 2 244.298 1.439 10 0 BDAELO CNC(=O)[C@H](C)Nc1cn[nH+]c2ccccc12 ZINC000104120901 173303928 /nfs/dbraw/zinc/30/39/28/173303928.db2.gz HKPBUXSQXLERBL-QMMMGPOBSA-N 1 2 230.271 1.176 10 0 BDAELO CNC(=O)c1ccc(C)c(NCc2c[nH+]c[nH]2)c1 ZINC000054764760 173310670 /nfs/dbraw/zinc/31/06/70/173310670.db2.gz SJYYBPXZVYCGEK-UHFFFAOYSA-N 1 2 244.298 1.690 10 0 BDAELO CNC(=O)c1ccc(C)c(NCc2c[nH]c[nH+]2)c1 ZINC000054764760 173310671 /nfs/dbraw/zinc/31/06/71/173310671.db2.gz SJYYBPXZVYCGEK-UHFFFAOYSA-N 1 2 244.298 1.690 10 0 BDAELO COC(=O)C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000019885509 173605810 /nfs/dbraw/zinc/60/58/10/173605810.db2.gz OVVRJSMSGXBPOH-JTQLQIEISA-N 1 2 237.299 1.476 10 0 BDAELO COCCCC[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000121653667 174190634 /nfs/dbraw/zinc/19/06/34/174190634.db2.gz HRCLAXQLKIPPEK-NSHDSACASA-N 1 2 238.335 1.758 10 0 BDAELO COCCCC[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000121653667 174190637 /nfs/dbraw/zinc/19/06/37/174190637.db2.gz HRCLAXQLKIPPEK-NSHDSACASA-N 1 2 238.335 1.758 10 0 BDAELO COCCCC[N@@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000121653667 174190639 /nfs/dbraw/zinc/19/06/39/174190639.db2.gz HRCLAXQLKIPPEK-NSHDSACASA-N 1 2 238.335 1.758 10 0 BDAELO COCCCC[N@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000121653667 174190640 /nfs/dbraw/zinc/19/06/40/174190640.db2.gz HRCLAXQLKIPPEK-NSHDSACASA-N 1 2 238.335 1.758 10 0 BDAELO COCCC[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000121785563 174228592 /nfs/dbraw/zinc/22/85/92/174228592.db2.gz JXKYFHFVAITUMH-SNVBAGLBSA-N 1 2 224.308 1.368 10 0 BDAELO COCCC[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000121785563 174228594 /nfs/dbraw/zinc/22/85/94/174228594.db2.gz JXKYFHFVAITUMH-SNVBAGLBSA-N 1 2 224.308 1.368 10 0 BDAELO COCCC[N@@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000121785563 174228595 /nfs/dbraw/zinc/22/85/95/174228595.db2.gz JXKYFHFVAITUMH-SNVBAGLBSA-N 1 2 224.308 1.368 10 0 BDAELO COCCC[N@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000121785563 174228596 /nfs/dbraw/zinc/22/85/96/174228596.db2.gz JXKYFHFVAITUMH-SNVBAGLBSA-N 1 2 224.308 1.368 10 0 BDAELO COCCN(CC(C)C)c1ccc(CO)c[nH+]1 ZINC000042370610 174287993 /nfs/dbraw/zinc/28/79/93/174287993.db2.gz GRFIELPVFYREKM-UHFFFAOYSA-N 1 2 238.331 1.683 10 0 BDAELO COc1ccc(-c2[nH+]cn(N)c2N)cc1C ZINC000052837978 175041492 /nfs/dbraw/zinc/04/14/92/175041492.db2.gz WJXPFLBJHVOLLZ-UHFFFAOYSA-N 1 2 218.260 1.163 10 0 BDAELO COc1ccc(-c2ncc[nH+]c2NN)cc1 ZINC000163048783 175041627 /nfs/dbraw/zinc/04/16/27/175041627.db2.gz MPGNXQCAWPTLFO-UHFFFAOYSA-N 1 2 216.244 1.438 10 0 BDAELO COc1ccc(F)cc1[C@@H]1COCC[NH2+]1 ZINC000041225426 175133716 /nfs/dbraw/zinc/13/37/16/175133716.db2.gz IYWOKAGXWVDNJP-JTQLQIEISA-N 1 2 211.236 1.495 10 0 BDAELO COc1ccc2[nH+]c(NC[C@@H](C)O)[nH]c2c1 ZINC000026474118 175201709 /nfs/dbraw/zinc/20/17/09/175201709.db2.gz QSRGWBIYCYLDHW-SSDOTTSWSA-N 1 2 221.260 1.364 10 0 BDAELO COc1cccn2c(N)c(-c3ccncc3)[nH+]c12 ZINC000104363022 175356052 /nfs/dbraw/zinc/35/60/52/175356052.db2.gz HQKKLAZKIGEFKS-UHFFFAOYSA-N 1 2 240.266 1.987 10 0 BDAELO C[C@@H]1C[C@@H]1[NH+]=c1[nH]c2c(cccc2F)n1C ZINC000336775973 176398692 /nfs/dbraw/zinc/39/86/92/176398692.db2.gz DGKYUBRJNSHPMP-APPZFPTMSA-N 1 2 219.263 1.955 10 0 BDAELO C[C@H](O)[C@H]([NH3+])c1n[nH]c(C2CCCCC2)n1 ZINC000041058855 177012956 /nfs/dbraw/zinc/01/29/56/177012956.db2.gz JBADRKJLKIMKQV-CBAPKCEASA-N 1 2 224.308 1.233 10 0 BDAELO C[C@H]1C[C@H]1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000119480991 177383353 /nfs/dbraw/zinc/38/33/53/177383353.db2.gz IHPSGTWDIPPMOV-WDEREUQCSA-N 1 2 236.319 1.323 10 0 BDAELO COC(=O)CC[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000151009010 323005332 /nfs/dbraw/zinc/00/53/32/323005332.db2.gz RNXFGFMTOAVTAM-VIFPVBQESA-N 1 2 245.319 1.212 10 0 BDAELO COC(=O)CC[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000151009010 323005333 /nfs/dbraw/zinc/00/53/33/323005333.db2.gz RNXFGFMTOAVTAM-VIFPVBQESA-N 1 2 245.319 1.212 10 0 BDAELO CCn1cc[nH+]c1C[S@@](=O)[C@@H]1CCO[C@@H]1C ZINC000127068999 324743293 /nfs/dbraw/zinc/74/32/93/324743293.db2.gz PJKDWFFWGLZTKH-LYGAQUJYSA-N 1 2 242.344 1.329 10 0 BDAELO OC[C@H]1COCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000159255424 488014975 /nfs/dbraw/zinc/01/49/75/488014975.db2.gz QGTRBHHBWIADOK-LBPRGKRZSA-N 1 2 241.718 1.533 10 0 BDAELO OC[C@H]1COCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000159255424 488014976 /nfs/dbraw/zinc/01/49/76/488014976.db2.gz QGTRBHHBWIADOK-LBPRGKRZSA-N 1 2 241.718 1.533 10 0 BDAELO OC[C@H]1COCC[N@@H+]1Cc1ccccc1F ZINC000159276338 488019099 /nfs/dbraw/zinc/01/90/99/488019099.db2.gz MHXVKASAWQKZMM-NSHDSACASA-N 1 2 225.263 1.019 10 0 BDAELO OC[C@H]1COCC[N@H+]1Cc1ccccc1F ZINC000159276338 488019102 /nfs/dbraw/zinc/01/91/02/488019102.db2.gz MHXVKASAWQKZMM-NSHDSACASA-N 1 2 225.263 1.019 10 0 BDAELO CCc1cc(NCC2CC(O)C2)nc[nH+]1 ZINC000084448845 488053159 /nfs/dbraw/zinc/05/31/59/488053159.db2.gz LWCPIOITWGMERD-UHFFFAOYSA-N 1 2 207.277 1.222 10 0 BDAELO O[C@H]1CCC[C@H](C[N@@H+]2CCn3ccnc3C2)C1 ZINC000310231849 488119399 /nfs/dbraw/zinc/11/93/99/488119399.db2.gz JUJUVDCNFSRNCA-RYUDHWBXSA-N 1 2 235.331 1.250 10 0 BDAELO O[C@H]1CCC[C@H](C[N@H+]2CCn3ccnc3C2)C1 ZINC000310231849 488119402 /nfs/dbraw/zinc/11/94/02/488119402.db2.gz JUJUVDCNFSRNCA-RYUDHWBXSA-N 1 2 235.331 1.250 10 0 BDAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1CC1)C2 ZINC000220617213 490063669 /nfs/dbraw/zinc/06/36/69/490063669.db2.gz CEJWBZCAGSIYFT-SNVBAGLBSA-N 1 2 233.315 1.349 10 0 BDAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1CC1)CC2 ZINC000220617213 490063673 /nfs/dbraw/zinc/06/36/73/490063673.db2.gz CEJWBZCAGSIYFT-SNVBAGLBSA-N 1 2 233.315 1.349 10 0 BDAELO c1n[nH]cc1[C@@H]1CCCC[N@H+]1Cc1cncnc1 ZINC000126713320 490514491 /nfs/dbraw/zinc/51/44/91/490514491.db2.gz UBHMXWPCZPMPIS-ZDUSSCGKSA-N 1 2 243.314 1.927 10 0 BDAELO c1n[nH]cc1[C@@H]1CCCC[N@@H+]1Cc1cncnc1 ZINC000126713320 490514497 /nfs/dbraw/zinc/51/44/97/490514497.db2.gz UBHMXWPCZPMPIS-ZDUSSCGKSA-N 1 2 243.314 1.927 10 0 BDAELO CC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000220580308 490616512 /nfs/dbraw/zinc/61/65/12/490616512.db2.gz YZQGMDJBGGYGOG-WCBMZHEXSA-N 1 2 235.331 1.738 10 0 BDAELO CC[C@H](C)NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000220580308 490616517 /nfs/dbraw/zinc/61/65/17/490616517.db2.gz YZQGMDJBGGYGOG-WCBMZHEXSA-N 1 2 235.331 1.738 10 0 BDAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC(C)C)C2 ZINC000220579910 490617139 /nfs/dbraw/zinc/61/71/39/490617139.db2.gz CWFHUHWSDBGLCJ-VIFPVBQESA-N 1 2 221.304 1.348 10 0 BDAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NC(C)C)CC2 ZINC000220579910 490617144 /nfs/dbraw/zinc/61/71/44/490617144.db2.gz CWFHUHWSDBGLCJ-VIFPVBQESA-N 1 2 221.304 1.348 10 0 BDAELO COCc1cc(NN)[nH+]c(Nc2ccccc2)n1 ZINC000057331461 522934057 /nfs/dbraw/zinc/93/40/57/522934057.db2.gz RCPIIZJVTPXXRS-UHFFFAOYSA-N 1 2 245.286 1.652 10 0 BDAELO COC(=O)[C@@](C)(c1cccc(F)c1)[NH+](C)C ZINC000095532517 523820954 /nfs/dbraw/zinc/82/09/54/523820954.db2.gz KIGPVZKRTQBWGX-GFCCVEGCSA-N 1 2 225.263 1.776 10 0 BDAELO COC(=O)[C@H](c1ccc(OC)cc1)[NH+](C)C ZINC000095532702 523938141 /nfs/dbraw/zinc/93/81/41/523938141.db2.gz QYGLWYSTAPCSQA-NSHDSACASA-N 1 2 223.272 1.471 10 0 BDAELO Cc1nc([C@@H]([NH3+])c2ccc(C)c(F)c2)no1 ZINC000082503763 527037860 /nfs/dbraw/zinc/03/78/60/527037860.db2.gz TYVDKQFDBRWTRF-JTQLQIEISA-N 1 2 221.235 1.874 10 0 BDAELO [NH3+][C@H](CNC(=O)C1CC1)C(F)(F)C(F)(F)F ZINC000669380738 566425805 /nfs/dbraw/zinc/42/58/05/566425805.db2.gz VBYHTEQTCUPDEB-RXMQYKEDSA-N 1 2 246.179 1.038 10 0 BDAELO C[C@@H]([NH2+]c1ccc2c(c1)CCN2C)[C@H](C)O ZINC000757126531 582501281 /nfs/dbraw/zinc/50/12/81/582501281.db2.gz GBENMCOOPNZNGS-ZJUUUORDSA-N 1 2 220.316 1.860 10 0 BDAELO c1coc([C@H]2CCO[C@@]3(CCCOC3)[NH2+]2)c1 ZINC000757150239 582533593 /nfs/dbraw/zinc/53/35/93/582533593.db2.gz PGWJGIZJENXXAG-ZYHUDNBSSA-N 1 2 223.272 1.837 10 0 BDAELO Cc1csc([C@H]2[NH2+]CCc3nc[nH]c32)n1 ZINC000400480207 582579347 /nfs/dbraw/zinc/57/93/47/582579347.db2.gz COQMYEGMHWVHHQ-VIFPVBQESA-N 1 2 220.301 1.410 10 0 BDAELO CO[C@@H]1C[C@H](c2ncc[nH]2)[N@H+](Cc2cc[nH]c2)C1 ZINC000888079288 582836596 /nfs/dbraw/zinc/83/65/96/582836596.db2.gz SVTBKMFWFKGCCT-VXGBXAGGSA-N 1 2 246.314 1.700 10 0 BDAELO CO[C@@H]1C[C@H](c2ncc[nH]2)[N@@H+](Cc2cc[nH]c2)C1 ZINC000888079288 582836599 /nfs/dbraw/zinc/83/65/99/582836599.db2.gz SVTBKMFWFKGCCT-VXGBXAGGSA-N 1 2 246.314 1.700 10 0 BDAELO C[C@@H](O)c1cccc(NC[C@@H](O)C(C)(C)C)[nH+]1 ZINC000892501698 582899175 /nfs/dbraw/zinc/89/91/75/582899175.db2.gz KIIMBGVOADUIJD-MWLCHTKSSA-N 1 2 238.331 1.954 10 0 BDAELO Cc1c[nH+]ccc1Cn1cc(Cl)c(N)n1 ZINC000705293860 582954625 /nfs/dbraw/zinc/95/46/25/582954625.db2.gz RDQNOBTVQRSZQX-UHFFFAOYSA-N 1 2 222.679 1.870 10 0 BDAELO Cc1nn(-c2cc(C)[nH+]c(C)n2)cc1CO ZINC000757195560 586436282 /nfs/dbraw/zinc/43/62/82/586436282.db2.gz HBCWFDNCXOMDBQ-UHFFFAOYSA-N 1 2 218.260 1.080 10 0 BDAELO C[C@@H]1CC[C@H]([NH3+])[C@H](c2cccc(C(=O)[O-])c2)[NH2+]1 ZINC000757216865 586441050 /nfs/dbraw/zinc/44/10/50/586441050.db2.gz QFYQAJRBKRBOHX-ZHAHWJHGSA-N 1 2 234.299 1.525 10 0 BDAELO C[C@@H]1C[NH2+][C@H](c2cccc(C(=O)[O-])c2)[C@@H]([NH3+])C1 ZINC000757218786 586441475 /nfs/dbraw/zinc/44/14/75/586441475.db2.gz XAUGEXKELCIEMS-KPXOXKRLSA-N 1 2 234.299 1.383 10 0 BDAELO C[C@@H]1C[NH2+][C@@H](c2cccc(C(=O)[O-])c2)[C@@H]([NH3+])C1 ZINC000757218791 586441524 /nfs/dbraw/zinc/44/15/24/586441524.db2.gz XAUGEXKELCIEMS-UWJYBYFXSA-N 1 2 234.299 1.383 10 0 BDAELO COC[C@@H]([NH3+])c1nc([C@H]2CCC(F)(F)C2)no1 ZINC000302474142 592548204 /nfs/dbraw/zinc/54/82/04/592548204.db2.gz ZXSSHSBNELDMIU-NKWVEPMBSA-N 1 2 247.245 1.619 10 0 BDAELO C[C@H]1C[N@H+](C)CCN1c1ccc(C=O)o1 ZINC000235667692 631300389 /nfs/dbraw/zinc/30/03/89/631300389.db2.gz DCVSQQKKQVEYQA-VIFPVBQESA-N 1 2 208.261 1.232 10 0 BDAELO C[C@H]1C[N@@H+](C)CCN1c1ccc(C=O)o1 ZINC000235667692 631300391 /nfs/dbraw/zinc/30/03/91/631300391.db2.gz DCVSQQKKQVEYQA-VIFPVBQESA-N 1 2 208.261 1.232 10 0 BDAELO COC[C@@H]([NH3+])c1nc([C@@H]2CC2(C)C)no1 ZINC000234693931 711456496 /nfs/dbraw/zinc/45/64/96/711456496.db2.gz CXONOCOHAPUXLZ-NKWVEPMBSA-N 1 2 211.265 1.229 10 0 BDAELO [NH3+][C@@H](c1ncccn1)c1cc(F)ccc1F ZINC000055243143 640449949 /nfs/dbraw/zinc/44/99/49/640449949.db2.gz CIZYMTLYQLWCDF-SNVBAGLBSA-N 1 2 221.210 1.803 10 0 BDAELO [NH3+][C@H](c1ncccn1)c1ccc(F)cc1F ZINC000055238840 640450382 /nfs/dbraw/zinc/45/03/82/640450382.db2.gz RKTMYVFASMDZEF-JTQLQIEISA-N 1 2 221.210 1.803 10 0 BDAELO C[NH2+][C@@](C)(CCCCn1cc[nH+]c1)C(=O)[O-] ZINC000045431634 640556236 /nfs/dbraw/zinc/55/62/36/640556236.db2.gz UXSCONPBGPRLEP-NSHDSACASA-N 1 2 225.292 1.116 10 0 BDAELO C[NH2+][C@](C)(CCCCn1cc[nH+]c1)C(=O)[O-] ZINC000045431631 640557724 /nfs/dbraw/zinc/55/77/24/640557724.db2.gz UXSCONPBGPRLEP-LLVKDONJSA-N 1 2 225.292 1.116 10 0 BDAELO COC(=O)[C@H](C)c1cccc2[nH+]ccn21 ZINC000166478046 640642837 /nfs/dbraw/zinc/64/28/37/640642837.db2.gz JBIWRDLOQCSLQN-MRVPVSSYSA-N 1 2 204.229 1.611 10 0 BDAELO Nc1cnc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cn1 ZINC000231298319 641156339 /nfs/dbraw/zinc/15/63/39/641156339.db2.gz PFACYYSVVRJYHO-RYUDHWBXSA-N 1 2 248.330 1.202 10 0 BDAELO Nc1cnc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)cn1 ZINC000231298319 641156347 /nfs/dbraw/zinc/15/63/47/641156347.db2.gz PFACYYSVVRJYHO-RYUDHWBXSA-N 1 2 248.330 1.202 10 0 BDAELO COC[C@@H]([NH3+])c1nc(CC(C)(C)C)no1 ZINC000088001148 641225869 /nfs/dbraw/zinc/22/58/69/641225869.db2.gz UBUDUVLRDTZPHU-SSDOTTSWSA-N 1 2 213.281 1.304 10 0 BDAELO COC[C@@H]([NH3+])c1nc(Cc2ccc(C)cc2)no1 ZINC000159340503 641677571 /nfs/dbraw/zinc/67/75/71/641677571.db2.gz IPJRUGOEHNKFGG-LLVKDONJSA-N 1 2 247.298 1.615 10 0 BDAELO c1cn(Cc2ccccn2)c([C@H]2CCOC2)[nH+]1 ZINC000067964783 642725016 /nfs/dbraw/zinc/72/50/16/642725016.db2.gz 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FQGUELKLCYPADL-JTQLQIEISA-N 1 2 217.272 1.435 10 0 BDAELO COC(=O)[C@@]1([NH3+])C[C@@H](C)c2ccccc21 ZINC000307523305 352634177 /nfs/dbraw/zinc/63/41/77/352634177.db2.gz CHEOIJNBRUDZOT-PRHODGIISA-N 1 2 205.257 1.521 10 0 BDAELO Cc1c(C[NH2+][C@H](C)C(F)F)cnn1C ZINC000231787317 538107538 /nfs/dbraw/zinc/10/75/38/538107538.db2.gz LALSFDZEJKXKHM-ZCFIWIBFSA-N 1 2 203.236 1.472 10 0 BDAELO Cc1ccc2[nH]c(N(C)CCO)[nH+]c2c1 ZINC000082739743 538110281 /nfs/dbraw/zinc/11/02/81/538110281.db2.gz DIQVFTZNZNQESH-UHFFFAOYSA-N 1 2 205.261 1.300 10 0 BDAELO Cc1ccc2[nH+]c(N(C)CCO)[nH]c2c1 ZINC000082739743 538110282 /nfs/dbraw/zinc/11/02/82/538110282.db2.gz DIQVFTZNZNQESH-UHFFFAOYSA-N 1 2 205.261 1.300 10 0 BDAELO CO[C@H](C)CNc1nc(N)[nH+]cc1Cl ZINC000224733212 363263940 /nfs/dbraw/zinc/26/39/40/363263940.db2.gz LAFNTWQHKZWJCJ-RXMQYKEDSA-N 1 2 216.672 1.159 10 0 BDAELO CC[N@@H+](c1ccc(N)cc1C(N)=O)C(C)C ZINC000058479344 188539022 /nfs/dbraw/zinc/53/90/22/188539022.db2.gz TVNSHYOBPGOMGQ-UHFFFAOYSA-N 1 2 221.304 1.602 10 0 BDAELO CC[N@H+](c1ccc(N)cc1C(N)=O)C(C)C ZINC000058479344 188539023 /nfs/dbraw/zinc/53/90/23/188539023.db2.gz TVNSHYOBPGOMGQ-UHFFFAOYSA-N 1 2 221.304 1.602 10 0 BDAELO NC(=O)Cc1c[nH+]c2cc(Cl)ccn12 ZINC000089202155 181247362 /nfs/dbraw/zinc/24/73/62/181247362.db2.gz IVWBBVSCZFMKCA-UHFFFAOYSA-N 1 2 209.636 1.016 10 0 BDAELO C[C@@H]([NH2+]Cc1cnns1)c1cncc(F)c1 ZINC000400238143 356490237 /nfs/dbraw/zinc/49/02/37/356490237.db2.gz POTZQIDSNAKJEJ-SSDOTTSWSA-N 1 2 238.291 1.923 10 0 BDAELO CC(C)c1nsc(N[C@@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000389761274 357026210 /nfs/dbraw/zinc/02/62/10/357026210.db2.gz XEHMDIYHKHISKG-DTWKUNHWSA-N 1 2 240.376 1.493 10 0 BDAELO CC[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ncc(C)o1 ZINC000230644723 357543054 /nfs/dbraw/zinc/54/30/54/357543054.db2.gz WWPHXFWOAREWOB-PSASIEDQSA-N 1 2 239.319 1.548 10 0 BDAELO CC(C)[C@H](C)CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000170781737 134254137 /nfs/dbraw/zinc/25/41/37/134254137.db2.gz OMDRNJAXMNGZFZ-NEPJUHHUSA-N 1 2 242.363 1.115 10 0 BDAELO CC(C)[C@H](C)CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000170781737 134254138 /nfs/dbraw/zinc/25/41/38/134254138.db2.gz OMDRNJAXMNGZFZ-NEPJUHHUSA-N 1 2 242.363 1.115 10 0 BDAELO CC[N@@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000132776574 358736327 /nfs/dbraw/zinc/73/63/27/358736327.db2.gz NYTOQVGXLVXLBB-SECBINFHSA-N 1 2 212.318 1.845 10 0 BDAELO CC[N@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000132776574 358736329 /nfs/dbraw/zinc/73/63/29/358736329.db2.gz NYTOQVGXLVXLBB-SECBINFHSA-N 1 2 212.318 1.845 10 0 BDAELO CC[C@H](C)NC(=O)C[NH+]1[C@H](C)COC[C@H]1C ZINC000247076376 359192434 /nfs/dbraw/zinc/19/24/34/359192434.db2.gz SQHVMYWULLSZKG-HBNTYKKESA-N 1 2 228.336 1.010 10 0 BDAELO COC(=O)[C@H](C)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000246708022 359158121 /nfs/dbraw/zinc/15/81/21/359158121.db2.gz KYYVLGHCSVNJSY-UWVGGRQHSA-N 1 2 223.272 1.978 10 0 BDAELO COC(=O)[C@H](C)[N@H+]1CCC[C@H]1c1ccco1 ZINC000246708022 359158124 /nfs/dbraw/zinc/15/81/24/359158124.db2.gz KYYVLGHCSVNJSY-UWVGGRQHSA-N 1 2 223.272 1.978 10 0 BDAELO Cc1c(Cl)nnc(NC2C[NH+](C)C2)c1C ZINC000306257930 359473746 /nfs/dbraw/zinc/47/37/46/359473746.db2.gz YNJRZQZNIULGAG-UHFFFAOYSA-N 1 2 226.711 1.473 10 0 BDAELO CSCC[NH2+]CC(=O)OCc1ccccc1 ZINC000306478249 360125187 /nfs/dbraw/zinc/12/51/87/360125187.db2.gz AMYPGNRNXUEGEB-UHFFFAOYSA-N 1 2 239.340 1.682 10 0 BDAELO CCN1C(=O)[C@@H](C)[NH2+][C@@]12CCCSC2 ZINC000306545946 360413463 /nfs/dbraw/zinc/41/34/63/360413463.db2.gz BBLPJGLPHIORGR-SCZZXKLOSA-N 1 2 214.334 1.050 10 0 BDAELO CN1CC([NH2+]Cc2ncc(Cl)s2)C1 ZINC000306604568 360530701 /nfs/dbraw/zinc/53/07/01/360530701.db2.gz ZIBBZPGGJALABF-UHFFFAOYSA-N 1 2 217.725 1.200 10 0 BDAELO NC(=S)c1cc[nH+]c(NCC2CCC2)c1 ZINC000037180952 181321474 /nfs/dbraw/zinc/32/14/74/181321474.db2.gz VVVQRWJFGXSEGD-UHFFFAOYSA-N 1 2 221.329 1.928 10 0 BDAELO NC(=S)c1ccccc1C[NH+]1CCOCC1 ZINC000019482728 181321783 /nfs/dbraw/zinc/32/17/83/181321783.db2.gz ASIMWEATGHIZAJ-UHFFFAOYSA-N 1 2 236.340 1.153 10 0 BDAELO CC(C)(C)c1nc(N[C@@H]2C[C@H]2CO)cc[nH+]1 ZINC000309679123 491153988 /nfs/dbraw/zinc/15/39/88/491153988.db2.gz MUDTVDMLPMDGRA-DTWKUNHWSA-N 1 2 221.304 1.567 10 0 BDAELO Cc1cc([C@@H](O)Cn2cc[nH+]c2)cs1 ZINC000306628771 361297343 /nfs/dbraw/zinc/29/73/43/361297343.db2.gz JROXJPLNJXPOQD-JTQLQIEISA-N 1 2 208.286 1.987 10 0 BDAELO CC[C@H](C)NC(=O)[C@H](C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000249307764 361502342 /nfs/dbraw/zinc/50/23/42/361502342.db2.gz HCISLGJIMAANQA-BJDJZHNGSA-N 1 2 242.363 1.399 10 0 BDAELO C[C@@H](C(=O)N=S1(=O)CC[NH2+]CC1)C(C)(C)C ZINC000712208029 541301518 /nfs/dbraw/zinc/30/15/18/541301518.db2.gz NGUVESUJQWMXQP-VIFPVBQESA-N 1 2 246.376 1.266 10 0 BDAELO C[C@@H]1CCC[N@H+](CC(F)(F)CN)CC1 ZINC000306349938 541313305 /nfs/dbraw/zinc/31/33/05/541313305.db2.gz LDRNOGQYYGWION-SECBINFHSA-N 1 2 206.280 1.702 10 0 BDAELO C[C@@H]1CCC[N@@H+](CC(F)(F)CN)CC1 ZINC000306349938 541313311 /nfs/dbraw/zinc/31/33/11/541313311.db2.gz LDRNOGQYYGWION-SECBINFHSA-N 1 2 206.280 1.702 10 0 BDAELO Cn1cc[nH+]c1CC(=O)[C@H]1CCSC1 ZINC000161306753 364277378 /nfs/dbraw/zinc/27/73/78/364277378.db2.gz HNWMYOAETNRRHW-QMMMGPOBSA-N 1 2 210.302 1.285 10 0 BDAELO Cn1cc[nH+]c1CC(=O)[C@@H]1CCSC1 ZINC000161306652 364276891 /nfs/dbraw/zinc/27/68/91/364276891.db2.gz HNWMYOAETNRRHW-MRVPVSSYSA-N 1 2 210.302 1.285 10 0 BDAELO [NH3+]CCCCC[C@H](C(=O)[O-])c1c[nH+]c[nH]1 ZINC000026256111 181375388 /nfs/dbraw/zinc/37/53/88/181375388.db2.gz XZPKPIITOZJCFP-QMMMGPOBSA-N 1 2 211.265 1.097 10 0 BDAELO [NH3+]CCCCC[C@H](C(=O)[O-])c1c[nH]c[nH+]1 ZINC000026256111 181375389 /nfs/dbraw/zinc/37/53/89/181375389.db2.gz XZPKPIITOZJCFP-QMMMGPOBSA-N 1 2 211.265 1.097 10 0 BDAELO [NH3+]CCCNc1[nH+]c(C(=O)[O-])cc2ccccc21 ZINC000051355211 181383530 /nfs/dbraw/zinc/38/35/30/181383530.db2.gz NOIYOAMDFDPXKB-UHFFFAOYSA-N 1 2 245.282 1.694 10 0 BDAELO [NH3+]CC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000037712330 181397613 /nfs/dbraw/zinc/39/76/13/181397613.db2.gz WGHJRKPZUJIZFD-UHFFFAOYSA-N 1 2 218.222 1.754 10 0 BDAELO CCn1c(C)nnc1C[N@@H+]1CCS[C@H](C)C1 ZINC000171686684 365226071 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ZINC000714468879 537816842 /nfs/dbraw/zinc/81/68/42/537816842.db2.gz VKVLPDFMKMIKGR-LLVKDONJSA-N 1 2 218.260 1.126 10 0 BDAELO [NH3+]CCN1N=C(c2ccsc2)CC1=O ZINC000409440869 343856200 /nfs/dbraw/zinc/85/62/00/343856200.db2.gz VHBLZESVQBKXDW-UHFFFAOYSA-N 1 2 209.274 1.276 10 0 BDAELO [NH3+]CCn1[nH]c(-c2ccsc2)cc1=O ZINC000409440869 343856202 /nfs/dbraw/zinc/85/62/02/343856202.db2.gz VHBLZESVQBKXDW-UHFFFAOYSA-N 1 2 209.274 1.276 10 0 BDAELO CCn1nc(-c2ccncc2)cc1C(=[NH2+])OC ZINC000409443440 343867276 /nfs/dbraw/zinc/86/72/76/343867276.db2.gz NAFYSVGLMSLKOX-UHFFFAOYSA-N 1 2 230.271 1.937 10 0 BDAELO Cc1nc(N2CCC(c3cc[nH]n3)CC2)cc[nH+]1 ZINC000408241110 344269684 /nfs/dbraw/zinc/26/96/84/344269684.db2.gz SOJOEGCDELDFGH-UHFFFAOYSA-N 1 2 243.314 1.892 10 0 BDAELO C[C@H]1C[C@@H]1Nc1nc[nH+]c(N)c1Br ZINC000235581980 344947785 /nfs/dbraw/zinc/94/77/85/344947785.db2.gz IKIAKRADDYGEEX-WHFBIAKZSA-N 1 2 243.108 1.642 10 0 BDAELO C[C@H]1C[C@@H]1Nc1[nH+]cnc(N)c1Br ZINC000235581980 344947786 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386844350 /nfs/dbraw/zinc/84/43/50/386844350.db2.gz UINSEUHNWFXAIQ-ZJUUUORDSA-N 1 2 239.319 1.367 10 0 BDAELO COC(=O)[C@@]12CCC[C@H]1CN(c1cccc[nH+]1)C2 ZINC000302142118 386907092 /nfs/dbraw/zinc/90/70/92/386907092.db2.gz FTDZQCNMPWXXIW-SMDDNHRTSA-N 1 2 246.310 1.861 10 0 BDAELO Cc1nc(CN(C)c2cccc[nH+]2)no1 ZINC000302174104 386910366 /nfs/dbraw/zinc/91/03/66/386910366.db2.gz MPKQCYGXAKAQEC-UHFFFAOYSA-N 1 2 204.233 1.409 10 0 BDAELO O[C@@H]1CC[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C1 ZINC000399040052 387047907 /nfs/dbraw/zinc/04/79/07/387047907.db2.gz BQBACPKJHODQRX-IJLUTSLNSA-N 1 2 218.300 1.679 10 0 BDAELO [NH3+][C@H](c1cn[nH]n1)c1ccsc1Cl ZINC000306277525 387454941 /nfs/dbraw/zinc/45/49/41/387454941.db2.gz NQTOVEOZIYHCCQ-LURJTMIESA-N 1 2 214.681 1.568 10 0 BDAELO [NH3+][C@H](c1c[nH]nn1)c1ccsc1Cl ZINC000306277525 387454945 /nfs/dbraw/zinc/45/49/45/387454945.db2.gz NQTOVEOZIYHCCQ-LURJTMIESA-N 1 2 214.681 1.568 10 0 BDAELO [NH3+]CC1(NC(=O)C(F)(F)F)CCCCC1 ZINC000575545137 387628858 /nfs/dbraw/zinc/62/88/58/387628858.db2.gz ZTGDKGWENMEJKI-UHFFFAOYSA-N 1 2 224.226 1.327 10 0 BDAELO Cc1[nH+]c(C2N=NC(=S)S2)cn1C ZINC000575552372 387654409 /nfs/dbraw/zinc/65/44/09/387654409.db2.gz ALMCBLVMXHLTOP-UHFFFAOYSA-N 1 2 212.303 1.536 10 0 BDAELO C[C@@H]1[C@@H](c2ccsc2)[NH2+]CC[S@@]1=O ZINC000307199770 388389500 /nfs/dbraw/zinc/38/95/00/388389500.db2.gz BMKVWSHFSSDLMA-CERSQZSQSA-N 1 2 215.343 1.530 10 0 BDAELO OCCC[C@@H]1CCC[N@@H+]1Cc1csnn1 ZINC000127370534 388721636 /nfs/dbraw/zinc/72/16/36/388721636.db2.gz XFKAFBAEYBSOQH-JTQLQIEISA-N 1 2 227.333 1.275 10 0 BDAELO OCCC[C@@H]1CCC[N@H+]1Cc1csnn1 ZINC000127370534 388721640 /nfs/dbraw/zinc/72/16/40/388721640.db2.gz XFKAFBAEYBSOQH-JTQLQIEISA-N 1 2 227.333 1.275 10 0 BDAELO O=C(N[C@@H]1CC=CCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000565149391 388917178 /nfs/dbraw/zinc/91/71/78/388917178.db2.gz NWTXLNUTGFYBJZ-BDAKNGLRSA-N 1 2 230.258 1.209 10 0 BDAELO Cc1cc(N2CC[C@]3(O)CCCC[C@H]3C2)nc[nH+]1 ZINC000250965566 132232518 /nfs/dbraw/zinc/23/25/18/132232518.db2.gz OSRDPOCWHRNDQG-GXTWGEPZSA-N 1 2 247.342 1.916 10 0 BDAELO CC[C@@H]1CO[C@@H](C)CN1c1[nH+]cccc1CO ZINC000042451509 132352164 /nfs/dbraw/zinc/35/21/64/132352164.db2.gz KJBRVWGUQRAIQF-CMPLNLGQSA-N 1 2 236.315 1.578 10 0 BDAELO c1nnc([C@H]2CCCC[N@H+]2CC2CC2)[nH]1 ZINC000182702618 134347883 /nfs/dbraw/zinc/34/78/83/134347883.db2.gz LFHLZFPFUCOHBY-SNVBAGLBSA-N 1 2 206.293 1.742 10 0 BDAELO c1nnc([C@H]2CCCC[N@@H+]2CC2CC2)[nH]1 ZINC000182702618 134347884 /nfs/dbraw/zinc/34/78/84/134347884.db2.gz LFHLZFPFUCOHBY-SNVBAGLBSA-N 1 2 206.293 1.742 10 0 BDAELO c1nc([C@H]2CCCC[N@H+]2CC2CC2)n[nH]1 ZINC000182702618 134347885 /nfs/dbraw/zinc/34/78/85/134347885.db2.gz LFHLZFPFUCOHBY-SNVBAGLBSA-N 1 2 206.293 1.742 10 0 BDAELO c1nc([C@H]2CCCC[N@@H+]2CC2CC2)n[nH]1 ZINC000182702618 134347886 /nfs/dbraw/zinc/34/78/86/134347886.db2.gz LFHLZFPFUCOHBY-SNVBAGLBSA-N 1 2 206.293 1.742 10 0 BDAELO CCCc1nc(C[N@@H+]2CC[C@H](CCO)C2)no1 ZINC000227571521 134383122 /nfs/dbraw/zinc/38/31/22/134383122.db2.gz SMXPNSPTDGQQCS-SNVBAGLBSA-N 1 2 239.319 1.226 10 0 BDAELO CCCc1nc(C[N@H+]2CC[C@H](CCO)C2)no1 ZINC000227571521 134383123 /nfs/dbraw/zinc/38/31/23/134383123.db2.gz SMXPNSPTDGQQCS-SNVBAGLBSA-N 1 2 239.319 1.226 10 0 BDAELO c1cnc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)nc1 ZINC000248845931 135024102 /nfs/dbraw/zinc/02/41/02/135024102.db2.gz NDEPHZJOBHYKRF-NEPJUHHUSA-N 1 2 233.315 1.620 10 0 BDAELO c1cnc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)nc1 ZINC000248845931 135024104 /nfs/dbraw/zinc/02/41/04/135024104.db2.gz NDEPHZJOBHYKRF-NEPJUHHUSA-N 1 2 233.315 1.620 10 0 BDAELO CN(c1cccc[nH+]1)C1CCC(O)CC1 ZINC000258688687 135133427 /nfs/dbraw/zinc/13/34/27/135133427.db2.gz DPKQFQADCYWADO-UHFFFAOYSA-N 1 2 206.289 1.821 10 0 BDAELO OC1(C2CC2)C[NH+](CCC(F)(F)F)C1 ZINC000084377240 135215595 /nfs/dbraw/zinc/21/55/95/135215595.db2.gz GDIUXBHTYHGXCL-UHFFFAOYSA-N 1 2 209.211 1.396 10 0 BDAELO CCc1cc(NC(=O)[C@H]2COCC[NH2+]2)ccc1C ZINC000261573672 135215574 /nfs/dbraw/zinc/21/55/74/135215574.db2.gz MIYJKSHFHKLVJU-CYBMUJFWSA-N 1 2 248.326 1.484 10 0 BDAELO Cc1nnsc1[C@H]1[NH2+][C@@H](C)CS1 ZINC000307027870 397974747 /nfs/dbraw/zinc/97/47/47/397974747.db2.gz MGLSBQORROIABI-FFWSUHOLSA-N 1 2 201.320 1.570 10 0 BDAELO C[N@@H+]1CCSC[C@H]1c1nc(N)cs1 ZINC000234363031 398133371 /nfs/dbraw/zinc/13/33/71/398133371.db2.gz UVRSGVFBWYPFJS-LURJTMIESA-N 1 2 215.347 1.445 10 0 BDAELO C[N@H+]1CCSC[C@H]1c1nc(N)cs1 ZINC000234363031 398133374 /nfs/dbraw/zinc/13/33/74/398133374.db2.gz UVRSGVFBWYPFJS-LURJTMIESA-N 1 2 215.347 1.445 10 0 BDAELO CC(C)[NH2+]Cc1noc([C@H]2CCOC2)n1 ZINC000051860940 167123814 /nfs/dbraw/zinc/12/38/14/167123814.db2.gz LHUNIAHFNKRWSJ-QMMMGPOBSA-N 1 2 211.265 1.072 10 0 BDAELO CC(C)OC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000052880804 167171461 /nfs/dbraw/zinc/17/14/61/167171461.db2.gz YEJIIDNETHSRKB-GFCCVEGCSA-N 1 2 207.273 1.812 10 0 BDAELO CCc1cc(N2C[C@H](O)CC[C@@H]2C)nc(C)[nH+]1 ZINC000399308494 411033044 /nfs/dbraw/zinc/03/30/44/411033044.db2.gz ANXHUBVVQWIEEI-JOYOIKCWSA-N 1 2 235.331 1.697 10 0 BDAELO C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2C[NH2+]C[C@@H](C(=O)[O-])C2)C1 ZINC000536959562 411266101 /nfs/dbraw/zinc/26/61/01/411266101.db2.gz OKPBDTMDKPVYPV-USZNOCQGSA-N 1 2 240.347 1.027 10 0 BDAELO C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2C[NH2+]C[C@@H](C(=O)[O-])C2)C1 ZINC000536959562 411266102 /nfs/dbraw/zinc/26/61/02/411266102.db2.gz OKPBDTMDKPVYPV-USZNOCQGSA-N 1 2 240.347 1.027 10 0 BDAELO CC1=NN2CN(Cc3ccccc3)C[NH+]=C2N1 ZINC000022183245 168135183 /nfs/dbraw/zinc/13/51/83/168135183.db2.gz JKZOISZFXJODEK-UHFFFAOYSA-N 1 2 229.287 1.012 10 0 BDAELO C[NH2+]Cc1ccccc1CNc1nc(C)ns1 ZINC000404640952 411403054 /nfs/dbraw/zinc/40/30/54/411403054.db2.gz LRILAHFMDCIHMW-UHFFFAOYSA-N 1 2 248.355 1.600 10 0 BDAELO C[NH2+]Cc1ccccc1CN=c1nc(C)[nH]s1 ZINC000404640952 411403057 /nfs/dbraw/zinc/40/30/57/411403057.db2.gz LRILAHFMDCIHMW-UHFFFAOYSA-N 1 2 248.355 1.600 10 0 BDAELO CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000175599597 170073079 /nfs/dbraw/zinc/07/30/79/170073079.db2.gz FMCSUIJUAKDRMM-SNVBAGLBSA-N 1 2 222.292 1.077 10 0 BDAELO CCNc1[nH+]cccc1Cn1cnccc1=O ZINC000104256998 170177960 /nfs/dbraw/zinc/17/79/60/170177960.db2.gz KIGRSYAUHMOWBC-UHFFFAOYSA-N 1 2 230.271 1.118 10 0 BDAELO CCNc1[nH+]cnc(NNc2ccccc2)c1N ZINC000040707308 170177964 /nfs/dbraw/zinc/17/79/64/170177964.db2.gz FLOVGXHMMNATJB-UHFFFAOYSA-N 1 2 244.302 1.930 10 0 BDAELO CCOC(=[NH2+])[C@H](C)NC(=O)OC(C)(C)C ZINC000039093969 170180503 /nfs/dbraw/zinc/18/05/03/170180503.db2.gz YPUSSMVSOJTLPW-ZETCQYMHSA-N 1 2 216.281 1.913 10 0 BDAELO CCOC(=O)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000037394270 170225743 /nfs/dbraw/zinc/22/57/43/170225743.db2.gz KZZPYVBFWGWWEX-LLVKDONJSA-N 1 2 221.300 1.943 10 0 BDAELO CCOC(=O)[C@@H]([NH3+])c1cc(F)cc(F)c1 ZINC000076134524 170253786 /nfs/dbraw/zinc/25/37/86/170253786.db2.gz FZRPANBGGZFCMI-VIFPVBQESA-N 1 2 215.199 1.528 10 0 BDAELO CCOC(=O)[C@H](C)[NH2+]CCc1ccccc1 ZINC000049368396 170267446 /nfs/dbraw/zinc/26/74/46/170267446.db2.gz UEZFHIKDWDIVEW-NSHDSACASA-N 1 2 221.300 1.770 10 0 BDAELO CCOC(=O)[C@H](CC)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000082757976 170271132 /nfs/dbraw/zinc/27/11/32/170271132.db2.gz KDXUIQCJIOUQCS-DCAQKATOSA-N 1 2 229.320 1.485 10 0 BDAELO CC(=O)N1CCC[C@H](c2ccc(N)[nH+]c2)CC1 ZINC000616600323 411854069 /nfs/dbraw/zinc/85/40/69/411854069.db2.gz HIOOTGGPYYXPEK-NSHDSACASA-N 1 2 233.315 1.780 10 0 BDAELO CC(=O)N1CCC[C@@H](c2ccc(N)[nH+]c2)CC1 ZINC000616627298 411855657 /nfs/dbraw/zinc/85/56/57/411855657.db2.gz HIOOTGGPYYXPEK-LLVKDONJSA-N 1 2 233.315 1.780 10 0 BDAELO CC[C@@]1(c2ccccc2)[NH2+]CCNC1=O ZINC000051924636 171216466 /nfs/dbraw/zinc/21/64/66/171216466.db2.gz OGNQRFDOLUWOEC-LBPRGKRZSA-N 1 2 204.273 1.011 10 0 BDAELO CC[C@H](C)C[C@@](CC)([NH2+]CCOC)C(=O)OC ZINC000053258223 171296589 /nfs/dbraw/zinc/29/65/89/171296589.db2.gz LCBZEIGFGXXPHY-WCQYABFASA-N 1 2 245.363 1.980 10 0 BDAELO CC[C@H](C)[NH2+][C@H](C(=O)OC)c1ccc(O)cc1 ZINC000038067187 171348203 /nfs/dbraw/zinc/34/82/03/171348203.db2.gz XCEHMHRIZFDMDS-CABZTGNLSA-N 1 2 237.299 1.994 10 0 BDAELO CCc1nc([C@@H]([NH3+])c2c(F)cccc2F)no1 ZINC000036762757 172004324 /nfs/dbraw/zinc/00/43/24/172004324.db2.gz KWXDQYGBDNVECC-JTQLQIEISA-N 1 2 239.225 1.958 10 0 BDAELO CCn1ccnc1[C@H]([NH3+])c1occc1C ZINC000041048460 172229372 /nfs/dbraw/zinc/22/93/72/172229372.db2.gz BXXYACRRXLZNAB-SECBINFHSA-N 1 2 205.261 1.853 10 0 BDAELO C[NH+](C)/C=C1\CCN(c2ccccc2)C1=O ZINC000004673099 172350766 /nfs/dbraw/zinc/35/07/66/172350766.db2.gz BPLOWDXSHFEXEP-ZHACJKMWSA-N 1 2 216.284 1.869 10 0 BDAELO CN(C)C(=O)CNc1ccc([NH+](C)C)cc1 ZINC000035164857 172371874 /nfs/dbraw/zinc/37/18/74/172371874.db2.gz OUWDPAWQWSPCFT-UHFFFAOYSA-N 1 2 221.304 1.253 10 0 BDAELO C[N@@H+]1CCO[C@@H](CNc2nc3ccccc3o2)C1 ZINC000110489837 173101835 /nfs/dbraw/zinc/10/18/35/173101835.db2.gz BNTZZTBFPMTUKR-JTQLQIEISA-N 1 2 247.298 1.570 10 0 BDAELO C[N@H+]1CCO[C@@H](CNc2nc3ccccc3o2)C1 ZINC000110489837 173101838 /nfs/dbraw/zinc/10/18/38/173101838.db2.gz BNTZZTBFPMTUKR-JTQLQIEISA-N 1 2 247.298 1.570 10 0 BDAELO C[NH2+]CC(=O)OCCc1cccc(F)c1 ZINC000077304505 173334666 /nfs/dbraw/zinc/33/46/66/173334666.db2.gz LGSKRXOQYGGXHP-UHFFFAOYSA-N 1 2 211.236 1.131 10 0 BDAELO C[NH2+]CC(=O)OCCc1ccccc1F ZINC000077304501 173334737 /nfs/dbraw/zinc/33/47/37/173334737.db2.gz CKDJNPJYOBKXOJ-UHFFFAOYSA-N 1 2 211.236 1.131 10 0 BDAELO C[NH2+]C[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000049328863 173367675 /nfs/dbraw/zinc/36/76/75/173367675.db2.gz QTMQGLHERVDOEL-ZDUSSCGKSA-N 1 2 236.363 1.205 10 0 BDAELO C[NH2+]Cc1noc(Cc2ccc(C)cc2)n1 ZINC000051848775 173399631 /nfs/dbraw/zinc/39/96/31/173399631.db2.gz SYIKHDQAGNWYQO-UHFFFAOYSA-N 1 2 217.272 1.688 10 0 BDAELO C[NH2+][C@H]1c2c(c(F)ccc2F)S(=O)(=O)[C@@H]1C ZINC000043636684 173468777 /nfs/dbraw/zinc/46/87/77/173468777.db2.gz ITXBQOZQTZKSSO-MLUIRONXSA-N 1 2 247.266 1.401 10 0 BDAELO COC(=O)[C@@H]1CC[C@H](c2cccc(F)c2)C[NH2+]1 ZINC000079026654 173732266 /nfs/dbraw/zinc/73/22/66/173732266.db2.gz NIJBPXNAHVAXOQ-JQWIXIFHSA-N 1 2 237.274 1.834 10 0 BDAELO COc1cc2c[nH+]ccc2c(N)c1OC ZINC000068591458 175027682 /nfs/dbraw/zinc/02/76/82/175027682.db2.gz IQCCHANVHUPATE-UHFFFAOYSA-N 1 2 204.229 1.834 10 0 BDAELO COc1ccc(-c2cc[nH+]c(NN)n2)cc1OC ZINC000072417399 175036162 /nfs/dbraw/zinc/03/61/62/175036162.db2.gz QBVADSRYRCPKHD-UHFFFAOYSA-N 1 2 246.270 1.446 10 0 BDAELO COc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC000022003873 175043972 /nfs/dbraw/zinc/04/39/72/175043972.db2.gz ZHNBNOFUTOUNDG-UHFFFAOYSA-N 1 2 204.229 1.890 10 0 BDAELO COc1ccc(C)cc1C[NH2+]Cc1nnc[nH]1 ZINC000037919667 175076402 /nfs/dbraw/zinc/07/64/02/175076402.db2.gz NIBSYANKBNGLDO-UHFFFAOYSA-N 1 2 232.287 1.412 10 0 BDAELO COc1ccc(OC)c(C(=O)C[NH+]2CCCC2)c1 ZINC000041303291 175164792 /nfs/dbraw/zinc/16/47/92/175164792.db2.gz AWSUCKCJABQRTK-UHFFFAOYSA-N 1 2 249.310 1.982 10 0 BDAELO COc1ccc(OC)c([C@@H]([NH3+])c2noc(C)n2)c1 ZINC000036762393 175167980 /nfs/dbraw/zinc/16/79/80/175167980.db2.gz GOKXIZPAWBXZKA-LLVKDONJSA-N 1 2 249.270 1.443 10 0 BDAELO COc1ccc2c(c1)OCCn1cc[nH+]c1-2 ZINC000095803821 175212476 /nfs/dbraw/zinc/21/24/76/175212476.db2.gz GJONWNRGRJIJTO-UHFFFAOYSA-N 1 2 216.240 1.951 10 0 BDAELO COc1cccc(-n2ncc3c2nc[nH+]c3N)c1 ZINC000062208526 175239404 /nfs/dbraw/zinc/23/94/04/175239404.db2.gz PCOVQFDOTDMADE-UHFFFAOYSA-N 1 2 241.254 1.406 10 0 BDAELO COc1cccc(C(=O)Nc2ccc(N)[nH+]c2)c1 ZINC000061680486 175245985 /nfs/dbraw/zinc/24/59/85/175245985.db2.gz JDULKXUCHAARRU-UHFFFAOYSA-N 1 2 243.266 1.925 10 0 BDAELO COc1cccc([C@@H](O)Cn2cc[nH+]c2)c1 ZINC000041231079 175290212 /nfs/dbraw/zinc/29/02/12/175290212.db2.gz ZNGYXSIGEPUIMZ-LBPRGKRZSA-N 1 2 218.256 1.625 10 0 BDAELO COc1nc(N[C@@H](C)Cn2cc[nH+]c2)ccc1N ZINC000049234748 175395977 /nfs/dbraw/zinc/39/59/77/175395977.db2.gz DUNRLPFRAVYFET-VIFPVBQESA-N 1 2 247.302 1.370 10 0 BDAELO C[C@@H]1CCC[C@H](Oc2nccnc2C(N)=[NH2+])C1 ZINC000054380735 176146101 /nfs/dbraw/zinc/14/61/01/176146101.db2.gz GDGJROWKNNFHTO-BDAKNGLRSA-N 1 2 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